| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.4 | Very low | 52.7 | Low | 236 Ų | 236 | 128.1 Ų | 128.1 | 100% | 1.163 | 67% | 0.665 | S | S | * | * | 0 | 114 | 0 | -73 | 165.6 | 97.9 | 0 | 0 | 105.9 | V3 | M1-V3 PolarHBondContact O-N 3.27Š| |||
| 2 | K | 30.8 | Very low | 54.8 | Low | 206 Ų | 206 | 122.6 Ų | 122.6 | 90% | 0.896 | 63% | 0.632 | S | S | * | * | trans | -74.5 | 110.8 | 174.2 | -72.5 | 179.5 | 173.2 | -175.3 | 0 | 105.9 | ||||
| 3 | V | 37.9 | Very low | 56.4 | Low | 120 Ų | 120 | 113.2 Ų | 113.2 | 73% | 0.727 | 58% | 0.584 | S | S | * | * | trans | -92.2 | 120.4 | 169.6 | 178.5 | 0 | 0 | 0 | 0 | 104.6 | M1 | M1-V3 PolarHBondContact O-N 3.27Š| ||
| 4 | D | 39.5 | Very low | 57.6 | Low | 132 Ų | 132 | 108.6 Ų | 108.6 | 71% | 0.706 | 56% | 0.56 | S | S | * | * | trans | -56.3 | 143.4 | -169.3 | -62.4 | -53.7 | 0 | 0 | 0 | 112.2 | A6 | D4-A6 HydrophobicContact CB-CB 4.49Å; D4-A6 PolarHBondContact O-N 3.3Å | ||
| 5 | D | 47.6 | Very low | 58.5 | Low | 172 Ų | 172 | 106.7 Ų | 106.7 | 92% | 0.92 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 20.3 | 179.9 | -66.5 | -44.4 | 0 | 0 | 0 | 114.2 | ||
| 6 | A | 51.1 | Low | 59.3 | Low | 81 Ų | 81 | 105.3 Ų | 105.3 | 67% | 0.669 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 4.3 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | D4 | D4-A6 HydrophobicContact CB-CB 4.49Å; D4-A6 PolarHBondContact O-N 3.3Å |
| 7 | E | 56.4 | Low | 59.6 | Low | 158 Ų | 158 | 100.8 Ų | 100.8 | 74% | 0.738 | 54% | 0.535 | S | S | * | . | trans | -119.5 | 1.8 | -176 | -71.3 | -171.2 | 166.5 | 0 | 0 | 116.1 | D9 | E7-D9 PolarHBondContact O-N 2.77Š| ||
| 8 | Q | 65.8 | Low | 60.1 | Low | 76 Ų | 76 | 100.7 Ų | 100.7 | 36% | 0.355 | 53% | 0.534 | S | S | . | . | trans | -90.9 | 69.4 | -177.2 | -65.1 | -173.7 | 2.7 | 0 | 0 | 113.2 | F12 Y13 H31 | Q8-F12 HydrophobicContact CB-CD1 4.39Å; Q8-F12 HydrophobicContact CG-CD1 4.26Å; Q8-F12 HydrophobicContact CG-CE1 4.29Å; Q8-Y13 HydrophobicContact CB-CE2 4.34Å; Q8-Y13 PolarHBondContact OE1-OH 2.83Å; Q8-Y13 VanDerWaalsContact OE1-OH 3.04Å; Q8-H31 PolarHBondContact O-NE2 3.46Å | ||
| 9 | D | 68.5 | Low | 61 | Low | 82 Ų | 82 | 99.6 Ų | 99.6 | 44% | 0.439 | 53% | 0.525 | S | S | . | . | trans | -80.8 | 170 | 176.7 | -76.8 | -21.4 | 0 | 0 | 0 | 113.5 | E7 L11 F12 | E7-D9 PolarHBondContact O-N 2.77Å; D9-L11 PolarHBondContact O-N 2.75Å; D9-F12 VanDerWaalsContact O-CB 3.29Å; D9-F12 WeakPolarHBondContact O-CB 3.4Å; D9-F12 PolarHBondContact O-N 3.29Å | ||
| 10 | W | 74 | Confident | 61.7 | Low | 41 Ų | 41 | 94.7 Ų | 94.7 | 16% | 0.155 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -49 | -28.5 | 174.3 | 70.4 | -86.6 | 0 | 0 | 0 | 113.9 | L14 L35 Q38 Q42 L89 | W10-L14 HydrophobicContact CE3-CB 4.42Å; W10-L14 HydrophobicContact CE3-CD1 4.5Å; W10-L14 HydrophobicContact CZ3-CB 4.49Å; W10-L14 HydrophobicContact CZ3-CD1 4.27Å; W10-L14 HydrophobicContact CZ3-CD2 4.3Å; W10-L14 WeakPolarHBondContact O-CB 3.36Å; W10-L14 PolarHBondContact O-N 3.39Å; W10-L35 HydrophobicContact CB-CD1 4.44Å; W10-Q38 HydrophobicContact CB-CB 4.1Å; W10-Q38 HydrophobicContact CG-CB 4.14Å; W10-Q42 HydrophobicContact CD2-CB 4.46Å; W10-Q42 HydrophobicContact CD2-CG 3.89Å; W10-Q42 HydrophobicContact CE3-CB 4.35Å; W10-Q42 HydrophobicContact CE3-CG 4.23Å; W10-Q42 HydrophobicContact CG-CG 4.5Å; W10-Q42 HydrophobicContact CH2-CB 4.48Å; W10-Q42 HydrophobicContact CH2-CG 4.12Å; W10-Q42 HydrophobicContact CZ2-CG 3.74Å; W10-Q42 HydrophobicContact CZ3-CB 4.36Å; W10-Q42 HydrophobicContact CZ3-CG 4.35Å; W10-L89 HydrophobicContact CE3-CD2 3.88Å; W10-L89 HydrophobicContact CZ3-CD2 4.42Å |
| 11 | L | 76 | Confident | 62.2 | Low | 105 Ų | 105 | 93.6 Ų | 93.6 | 55% | 0.55 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.9 | -37.3 | 177.8 | -167.8 | 74.1 | 0 | 0 | 0 | 112.3 | D9 L14 A15 | D9-L11 PolarHBondContact O-N 2.75Å; L11-L14 WeakPolarHBondContact O-CB 2.93Å; L11-L14 PolarHBondContact O-N 3.43Å; L11-A15 PolarHBondContact O-N 3.2Å; L11-A15 VanDerWaalsContact O-N 3.08Å |
| 12 | F | 78.3 | Confident | 64.3 | Low | 62 Ų | 62 | 89 Ų | 89 | 27% | 0.272 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 175.6 | 174.6 | -98.9 | 0 | 0 | 0 | 110.4 | Q8 D9 A15 Q16 K19 | Q8-F12 HydrophobicContact CB-CD1 4.39Å; Q8-F12 HydrophobicContact CG-CD1 4.26Å; Q8-F12 HydrophobicContact CG-CE1 4.29Å; D9-F12 VanDerWaalsContact O-CB 3.29Å; D9-F12 WeakPolarHBondContact O-CB 3.4Å; D9-F12 PolarHBondContact O-N 3.29Å; F12-A15 PolarHBondContact O-N 3.06Å; F12-Q16 PolarHBondContact O-N 3.01Å; F12-K19 HydrophobicContact CE1-CD 3.91Å; F12-K19 HydrophobicContact CZ-CD 3.74Å |
| 13 | Y | 75 | Confident | 66.5 | Low | 1 Ų | 1 | 81.4 Ų | 81.4 | 0% | 0.004 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -69.8 | -33.6 | 176.8 | -64.1 | -68.6 | 0 | 0 | 0 | 112.4 | Q8 A15 Q16 P17 L20 D23 L35 M92 | Q8-Y13 HydrophobicContact CB-CE2 4.34Å; Q8-Y13 PolarHBondContact OE1-OH 2.83Å; Q8-Y13 VanDerWaalsContact OE1-OH 3.04Å; Y13-A15 VanDerWaalsContact C-N 3.28Å; Y13-A15 PolarHBondContact O-N 3.03Å; Y13-Q16 CarbonylContact O-C 3.54Å; Y13-Q16 PolarHBondContact O-N 3.27Å; Y13-Q16 VanDerWaalsContact O-N 3.13Å; Y13-P17 VanDerWaalsContact O-CA 3.24Å; Y13-P17 WeakPolarHBondContact O-CA 3.35Å; Y13-L20 HydrophobicContact CD1-CB 3.61Å; Y13-L20 HydrophobicContact CD1-CD1 3.66Å; Y13-L20 HydrophobicContact CD1-CG 4.2Å; Y13-L20 HydrophobicContact CD2-CD1 4.11Å; Y13-L20 HydrophobicContact CE1-CB 4.13Å; Y13-L20 HydrophobicContact CE1-CD1 3.73Å; Y13-L20 HydrophobicContact CE2-CD1 4.15Å; Y13-L20 HydrophobicContact CG-CB 4.25Å; Y13-L20 HydrophobicContact CG-CD1 3.84Å; Y13-D23 HydrophobicContact CE1-CB 4.12Å; Y13-D23 WeakPolarHBondContact CE1-OD2 3.44Å; Y13-L35 HydrophobicContact CD2-CD1 3.66Å; Y13-L35 HydrophobicContact CD2-CD2 3.74Å; Y13-L35 HydrophobicContact CD2-CG 4.32Å; Y13-L35 HydrophobicContact CE2-CD1 3.78Å; Y13-L35 HydrophobicContact CE2-CD2 3.85Å; Y13-L35 HydrophobicContact CG-CD2 4.47Å; Y13-M92 VanDerWaalsContact C-CE 3.4Å; Y13-M92 WeakPolarHBondContact O-CE 3.47Å |
| 14 | L | 73.8 | Confident | 68.3 | Low | 48 Ų | 48 | 75.9 Ų | 75.9 | 25% | 0.251 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.9 | -41.7 | 171.9 | -165.8 | 100 | 0 | 0 | 0 | 112 | W10 L11 K85 L89 | W10-L14 HydrophobicContact CE3-CB 4.42Å; W10-L14 HydrophobicContact CE3-CD1 4.5Å; W10-L14 HydrophobicContact CZ3-CB 4.49Å; W10-L14 HydrophobicContact CZ3-CD1 4.27Å; W10-L14 HydrophobicContact CZ3-CD2 4.3Å; W10-L14 WeakPolarHBondContact O-CB 3.36Å; W10-L14 PolarHBondContact O-N 3.39Å; L11-L14 WeakPolarHBondContact O-CB 2.93Å; L11-L14 PolarHBondContact O-N 3.43Å; L14-K85 HydrophobicContact CD1-CG 3.98Å; L14-K85 HydrophobicContact CD2-CG 4.49Å; L14-L89 HydrophobicContact CD1-CD1 4.18Å; L14-L89 HydrophobicContact CD1-CD2 3.49Å; L14-L89 VanDerWaalsContact CD1-CD2 3.49Å; L14-L89 HydrophobicContact CD1-CG 3.6Å |
| 15 | A | 70.3 | Confident | 69.8 | Low | 80 Ų | 80 | 78.1 Ų | 78.1 | 66% | 0.661 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -73.2 | -30.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L11 F12 Y13 | L11-A15 PolarHBondContact O-N 3.2Å; L11-A15 VanDerWaalsContact O-N 3.08Å; F12-A15 PolarHBondContact O-N 3.06Å; Y13-A15 VanDerWaalsContact C-N 3.28Å; Y13-A15 PolarHBondContact O-N 3.03Å |
| 16 | Q | 70.9 | Confident | 71.1 | Confident | 84 Ų | 84 | 73.3 Ų | 73.3 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | trans | -131.1 | 71.4 | -178.2 | -63.5 | -173.8 | -6.3 | 0 | 0 | 111.4 | F12 Y13 N18 K19 | F12-Q16 PolarHBondContact O-N 3.01Å; Y13-Q16 CarbonylContact O-C 3.54Å; Y13-Q16 PolarHBondContact O-N 3.27Å; Y13-Q16 VanDerWaalsContact O-N 3.13Å; Q16-N18 PolarHBondContact O-N 3.47Å; Q16-N18 VanDerWaalsContact O-N 3.07Å; Q16-K19 HydrophobicContact CB-CB 4.3Å; Q16-K19 HydrophobicContact CB-CD 4.35Å; Q16-K19 HydrophobicContact CB-CG 4.3Å; Q16-K19 PolarHBondContact O-N 3.24Å | ||
| 17 | P | 65.3 | Low | 72.4 | Confident | 30 Ų | 30 | 70.9 Ų | 70.9 | 20% | 0.195 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.1 | -26.1 | -172.3 | 20.2 | -32.1 | 0 | 0 | 0 | 114.1 | Y13 V88 M92 T254 | Y13-P17 VanDerWaalsContact O-CA 3.24Å; Y13-P17 WeakPolarHBondContact O-CA 3.35Å; P17-V88 HydrophobicContact CB-CG1 4.4Å; P17-M92 HydrophobicContact CB-CE 3.56Å; P17-T254 HydrophobicContact CB-CG2 3.85Å |
| 18 | N | 69.1 | Low | 73.6 | Confident | 98 Ų | 98 | 67.4 Ų | 67.4 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -79 | -17.4 | 179.9 | -63.5 | -23.2 | 0 | 0 | 0 | 113.5 | Q16 T254 | Q16-N18 PolarHBondContact O-N 3.47Å; Q16-N18 VanDerWaalsContact O-N 3.07Å; N18-T254 PolarHBondContact OD1-OG1 3.42Å |
| 19 | K | 75.8 | Confident | 74.3 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 35% | 0.352 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72.5 | -30.8 | 176.2 | -90 | -165.6 | -179.8 | 164.8 | 0 | 112.7 | F12 Q16 L21 L22 D23 | F12-K19 HydrophobicContact CE1-CD 3.91Å; F12-K19 HydrophobicContact CZ-CD 3.74Å; Q16-K19 HydrophobicContact CB-CB 4.3Å; Q16-K19 HydrophobicContact CB-CD 4.35Å; Q16-K19 HydrophobicContact CB-CG 4.3Å; Q16-K19 PolarHBondContact O-N 3.24Å; K19-L21 VanDerWaalsContact C-N 3.28Å; K19-L21 PolarHBondContact O-N 3.44Å; K19-L22 WeakPolarHBondContact O-CB 3.34Å; K19-L22 PolarHBondContact O-N 3.05Å; K19-D23 PolarHBondContact O-N 2.82Å |
| 20 | L | 75.1 | Confident | 74.8 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -55.9 | -44.7 | -177.1 | -173.6 | 61.7 | 0 | 0 | 0 | 111.2 | Y13 L22 D23 I24 L35 M92 I96 | Y13-L20 HydrophobicContact CD1-CB 3.61Å; Y13-L20 HydrophobicContact CD1-CD1 3.66Å; Y13-L20 HydrophobicContact CD1-CG 4.2Å; Y13-L20 HydrophobicContact CD2-CD1 4.11Å; Y13-L20 HydrophobicContact CE1-CB 4.13Å; Y13-L20 HydrophobicContact CE1-CD1 3.73Å; Y13-L20 HydrophobicContact CE2-CD1 4.15Å; Y13-L20 HydrophobicContact CG-CB 4.25Å; Y13-L20 HydrophobicContact CG-CD1 3.84Å; L20-L22 PolarHBondContact O-N 2.78Å; L20-D23 PolarHBondContact O-N 3.42Å; L20-D23 VanDerWaalsContact O-N 3.16Å; L20-I24 HydrophobicContact CD1-CD1 4.49Å; L20-I24 HydrophobicContact CD1-CG1 3.99Å; L20-I24 HydrophobicContact CG-CD1 3.94Å; L20-I24 HydrophobicContact CG-CG1 3.96Å; L20-I24 WeakPolarHBondContact O-CB 3.35Å; L20-I24 WeakPolarHBondContact O-CG1 3.45Å; L20-I24 PolarHBondContact O-N 3.26Å; L20-L35 HydrophobicContact CD1-CD2 3.49Å; L20-L35 VanDerWaalsContact CD1-CD2 3.49Å; L20-M92 HydrophobicContact CD2-CB 3.68Å; L20-M92 HydrophobicContact CD2-CG 3.73Å; L20-I96 HydrophobicContact CD1-CG1 4.49Å; L20-I96 HydrophobicContact CD2-CD1 4.27Å; L20-I96 HydrophobicContact CD2-CG1 4.15Å |
| 21 | L | 72.2 | Confident | 75.1 | Confident | 72 Ų | 72 | 67.6 Ų | 67.6 | 38% | 0.377 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.4 | -31.9 | 178.6 | -169.8 | 68.2 | 0 | 0 | 0 | 113.6 | K19 P249 | K19-L21 VanDerWaalsContact C-N 3.28Å; K19-L21 PolarHBondContact O-N 3.44Å; L21-P249 HydrophobicContact CD1-CB 3.78Å |
| 22 | L | 76.3 | Confident | 75.4 | Confident | 141 Ų | 141 | 63 Ų | 63 | 74% | 0.738 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -79.6 | -35 | 177.5 | -66.6 | 169.6 | 0 | 0 | 0 | 112 | K19 L20 | K19-L22 WeakPolarHBondContact O-CB 3.34Å; K19-L22 PolarHBondContact O-N 3.05Å; L20-L22 PolarHBondContact O-N 2.78Å |
| 23 | D | 78.4 | Confident | 75.6 | Confident | 46 Ų | 46 | 60.1 Ų | 60.1 | 25% | 0.246 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -86 | -27.2 | -174.6 | -62.9 | -20.1 | 0 | 0 | 0 | 112.3 | Y13 K19 L20 E25 G26 L27 | Y13-D23 HydrophobicContact CE1-CB 4.12Å; Y13-D23 WeakPolarHBondContact CE1-OD2 3.44Å; K19-D23 PolarHBondContact O-N 2.82Å; L20-D23 PolarHBondContact O-N 3.42Å; L20-D23 VanDerWaalsContact O-N 3.16Å; D23-E25 VanDerWaalsContact C-N 3.29Å; D23-E25 PolarHBondContact O-N 2.82Å; D23-E25 VanDerWaalsContact O-N 3.15Å; D23-G26 WeakPolarHBondContact O-CA 3.28Å; D23-G26 PolarHBondContact O-N 3.39Å; D23-L27 WeakPolarHBondContact O-CG 3.16Å; D23-L27 PolarHBondContact O-N 3.41Å |
| 24 | I | 74.5 | Confident | 75.9 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.015 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -49.1 | -46 | -175.5 | -81.6 | 164.2 | 0 | 0 | 0 | 112.2 | L20 G26 L27 Q32 Q95 N99 | L20-I24 HydrophobicContact CD1-CD1 4.49Å; L20-I24 HydrophobicContact CD1-CG1 3.99Å; L20-I24 HydrophobicContact CG-CD1 3.94Å; L20-I24 HydrophobicContact CG-CG1 3.96Å; L20-I24 WeakPolarHBondContact O-CB 3.35Å; L20-I24 WeakPolarHBondContact O-CG1 3.45Å; L20-I24 PolarHBondContact O-N 3.26Å; I24-G26 PolarHBondContact O-N 3.36Å; I24-L27 PolarHBondContact O-N 3.13Å; I24-Q32 PolarHBondContact O-NE2 3.38Å; I24-Q95 HydrophobicContact CD1-CB 3.95Å; I24-N99 HydrophobicContact CG2-CB 3.63Å; I24-N99 WeakPolarHBondContact CG2-ND2 3.47Å |
| 25 | E | 71.9 | Confident | 76.3 | Confident | 180 Ų | 180 | 63 Ų | 63 | 84% | 0.841 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -66.5 | -22.1 | -177.7 | -68.2 | -173.8 | 175 | 0 | 0 | 113.2 | D23 | D23-E25 VanDerWaalsContact C-N 3.29Å; D23-E25 PolarHBondContact O-N 2.82Å; D23-E25 VanDerWaalsContact O-N 3.15Å |
| 26 | G | 74 | Confident | 77 | Confident | 71 Ų | 71 | 59.1 Ų | 59.1 | 73% | 0.732 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -93.8 | -16.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D23 I24 | D23-G26 WeakPolarHBondContact O-CA 3.28Å; D23-G26 PolarHBondContact O-N 3.39Å; I24-G26 PolarHBondContact O-N 3.36Å |
| 27 | L | 79.6 | Confident | 77.5 | Confident | 29 Ų | 29 | 58.2 Ų | 58.2 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -75.6 | 141.2 | -178.9 | -65.5 | 174.2 | 0 | 0 | 0 | 111.7 | D23 I24 Q32 | D23-L27 WeakPolarHBondContact O-CG 3.16Å; D23-L27 PolarHBondContact O-N 3.41Å; I24-L27 PolarHBondContact O-N 3.13Å; L27-Q32 HydrophobicContact CB-CG 3.74Å; L27-Q32 HydrophobicContact CD1-CG 4.47Å; L27-Q32 PolarHBondContact O-NE2 3.47Å |
| 28 | T | 81.8 | Confident | 78.3 | Confident | 85 Ų | 85 | 58.9 Ų | 58.9 | 52% | 0.521 | 32% | 0.319 | S | S | . | . | trans | -63.5 | 148.5 | 171.9 | 60 | 0 | 0 | 0 | 0 | 111 | S30 H31 Q32 | T28-S30 PolarHBondContact O-N 2.99Å; T28-S30 PolarHBondContact OG1-OG 3.1Å; T28-S30 VanDerWaalsContact OG1-OG 3.09Å; T28-H31 PolarHBondContact O-N 3.18Å; T28-H31 VanDerWaalsContact OG1-CB 3.31Å; T28-H31 WeakPolarHBondContact OG1-CB 3.34Å; T28-H31 PolarHBondContact OG1-N 3.37Å; T28-Q32 WeakPolarHBondContact O-CG 3.49Å; T28-Q32 PolarHBondContact O-N 3.22Å | ||
| 29 | I | 79.5 | Confident | 78.9 | Confident | 93 Ų | 93 | 54.3 Ų | 54.3 | 48% | 0.477 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55.8 | -37 | 178.8 | -62.5 | 169.7 | 0 | 0 | 0 | 111.2 | L33 L100 L106 | I29-L33 HydrophobicContact CG2-CD1 4.02Å; I29-L33 WeakPolarHBondContact O-CB 3.34Å; I29-L33 VanDerWaalsContact O-CG 3.28Å; I29-L33 WeakPolarHBondContact O-CG 3.39Å; I29-L33 PolarHBondContact O-N 3.49Å; I29-L100 HydrophobicContact CG2-CD2 4.23Å; I29-L106 HydrophobicContact CG2-CD2 4.44Å |
| 30 | S | 78.4 | Confident | 79.3 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 175.4 | 47.5 | 0 | 0 | 0 | 0 | 112 | T28 L33 E34 | T28-S30 PolarHBondContact O-N 2.99Å; T28-S30 PolarHBondContact OG1-OG 3.1Å; T28-S30 VanDerWaalsContact OG1-OG 3.09Å; S30-L33 PolarHBondContact O-N 3.12Å; S30-E34 WeakPolarHBondContact O-CB 2.94Å; S30-E34 PolarHBondContact O-N 3.48Å |
| 31 | H | 81.5 | Confident | 79.6 | Confident | 39 Ų | 39 | 51.1 Ų | 51.1 | 18% | 0.181 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.7 | -38.5 | -179.9 | -172.5 | 75 | 0 | 0 | 0 | 111.9 | Q8 T28 L33 E34 L35 | Q8-H31 PolarHBondContact O-NE2 3.46Å; T28-H31 PolarHBondContact O-N 3.18Å; T28-H31 VanDerWaalsContact OG1-CB 3.31Å; T28-H31 WeakPolarHBondContact OG1-CB 3.34Å; T28-H31 PolarHBondContact OG1-N 3.37Å; H31-L33 VanDerWaalsContact C-N 3.31Å; H31-L33 PolarHBondContact O-N 3.24Å; H31-E34 PolarHBondContact O-N 3.18Å; H31-L35 VanDerWaalsContact O-CB 3.31Å; H31-L35 WeakPolarHBondContact O-CB 3.23Å; H31-L35 PolarHBondContact O-N 3.23Å |
| 32 | Q | 82.4 | Confident | 80 | Confident | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.4 | -44.6 | 172.1 | -70.2 | 178.7 | 9.7 | 0 | 0 | 111.7 | I24 L27 T28 L35 L36 I96 N99 | I24-Q32 PolarHBondContact O-NE2 3.38Å; L27-Q32 HydrophobicContact CB-CG 3.74Å; L27-Q32 HydrophobicContact CD1-CG 4.47Å; L27-Q32 PolarHBondContact O-NE2 3.47Å; T28-Q32 WeakPolarHBondContact O-CG 3.49Å; T28-Q32 PolarHBondContact O-N 3.22Å; Q32-L35 PolarHBondContact O-N 2.91Å; Q32-L36 VanDerWaalsContact O-CB 3.31Å; Q32-L36 WeakPolarHBondContact O-CB 3.46Å; Q32-L36 PolarHBondContact O-N 2.94Å; Q32-I96 HydrophobicContact CB-CG2 4.01Å; Q32-I96 WeakPolarHBondContact O-CG2 3.41Å; Q32-N99 PolarHBondContact NE2-ND2 3.36Å; Q32-N99 VanDerWaalsContact NE2-ND2 3.19Å; Q32-N99 PolarHBondContact OE1-ND2 3.2Å |
| 33 | L | 81.2 | Confident | 80.2 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.5 | -36.8 | 178.4 | -74.1 | 169.9 | 0 | 0 | 0 | 112.8 | I29 S30 H31 L36 K37 L100 F107 I110 | I29-L33 HydrophobicContact CG2-CD1 4.02Å; I29-L33 WeakPolarHBondContact O-CB 3.34Å; I29-L33 VanDerWaalsContact O-CG 3.28Å; I29-L33 WeakPolarHBondContact O-CG 3.39Å; I29-L33 PolarHBondContact O-N 3.49Å; S30-L33 PolarHBondContact O-N 3.12Å; H31-L33 VanDerWaalsContact C-N 3.31Å; H31-L33 PolarHBondContact O-N 3.24Å; L33-L36 HydrophobicContact CD2-CD2 4.47Å; L33-L36 PolarHBondContact O-N 2.71Å; L33-K37 WeakPolarHBondContact O-CB 3.05Å; L33-K37 PolarHBondContact O-N 3.46Å; L33-L100 HydrophobicContact CD2-CD1 3.57Å; L33-L100 HydrophobicContact CG-CD1 4.03Å; L33-F107 HydrophobicContact CD2-CD1 3.73Å; L33-F107 HydrophobicContact CD2-CE1 4.09Å; L33-I110 HydrophobicContact CD1-CB 3.59Å; L33-I110 HydrophobicContact CD1-CD1 4.09Å; L33-I110 HydrophobicContact CD1-CG1 4.42Å; L33-I110 HydrophobicContact CD1-CG2 3.45Å; L33-I110 VanDerWaalsContact CD1-CG2 3.45Å |
| 34 | E | 81.2 | Confident | 80.1 | Confident | 106 Ų | 106 | 40.7 Ų | 40.7 | 50% | 0.495 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.6 | -46.8 | 173.5 | -175.4 | 168.2 | -159.6 | 0 | 0 | 111.2 | S30 H31 L36 K37 Q38 | S30-E34 WeakPolarHBondContact O-CB 2.94Å; S30-E34 PolarHBondContact O-N 3.48Å; H31-E34 PolarHBondContact O-N 3.18Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 2.9Å; E34-K37 WeakPolarHBondContact O-CB 3.24Å; E34-K37 PolarHBondContact O-N 3.03Å; E34-Q38 WeakPolarHBondContact O-CB 3.49Å; E34-Q38 VanDerWaalsContact O-CG 3.31Å; E34-Q38 WeakPolarHBondContact O-CG 3.47Å; E34-Q38 PolarHBondContact O-N 3.5Å |
| 35 | L | 83 | Confident | 80.2 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.7 | -43 | 175.4 | -160.9 | 86.4 | 0 | 0 | 0 | 111.6 | W10 Y13 L20 H31 Q32 Q38 S39 I96 | W10-L35 HydrophobicContact CB-CD1 4.44Å; Y13-L35 HydrophobicContact CD2-CD1 3.66Å; Y13-L35 HydrophobicContact CD2-CD2 3.74Å; Y13-L35 HydrophobicContact CD2-CG 4.32Å; Y13-L35 HydrophobicContact CE2-CD1 3.78Å; Y13-L35 HydrophobicContact CE2-CD2 3.85Å; Y13-L35 HydrophobicContact CG-CD2 4.47Å; L20-L35 HydrophobicContact CD1-CD2 3.49Å; L20-L35 VanDerWaalsContact CD1-CD2 3.49Å; H31-L35 VanDerWaalsContact O-CB 3.31Å; H31-L35 WeakPolarHBondContact O-CB 3.23Å; H31-L35 PolarHBondContact O-N 3.23Å; Q32-L35 PolarHBondContact O-N 2.91Å; L35-Q38 PolarHBondContact O-N 3.49Å; L35-S39 WeakPolarHBondContact O-CB 3.4Å; L35-S39 PolarHBondContact O-N 3.2Å; L35-S39 PolarHBondContact O-OG 3.05Å; L35-I96 HydrophobicContact CB-CD1 4.21Å; L35-I96 HydrophobicContact CD2-CD1 3.5Å; L35-I96 HydrophobicContact CD2-CG1 4.28Å; L35-I96 HydrophobicContact CG-CD1 4.07Å |
| 36 | L | 84.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -43 | 175.5 | 177.5 | 64.4 | 0 | 0 | 0 | 112 | Q32 L33 E34 S39 L40 S93 I96 L100 F107 M113 L121 | Q32-L36 VanDerWaalsContact O-CB 3.31Å; Q32-L36 WeakPolarHBondContact O-CB 3.46Å; Q32-L36 PolarHBondContact O-N 2.94Å; L33-L36 HydrophobicContact CD2-CD2 4.47Å; L33-L36 PolarHBondContact O-N 2.71Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 2.9Å; L36-S39 WeakPolarHBondContact CA-OG 3.04Å; L36-S39 PolarHBondContact O-OG 3.32Å; L36-L40 HydrophobicContact CD1-CD1 3.82Å; L36-L40 HydrophobicContact CD1-CG 4.33Å; L36-L40 HydrophobicContact CG-CD1 4.07Å; L36-L40 WeakPolarHBondContact O-CB 3.4Å; L36-L40 WeakPolarHBondContact O-CG 3.49Å; L36-L40 PolarHBondContact O-N 3.06Å; L36-L40 VanDerWaalsContact O-N 3.09Å; L36-S93 VanDerWaalsContact CD1-O 3.26Å; L36-S93 WeakPolarHBondContact CD1-O 3.39Å; L36-I96 HydrophobicContact CB-CD1 4.41Å; L36-I96 HydrophobicContact CB-CG2 3.95Å; L36-I96 HydrophobicContact CD1-CB 4.4Å; L36-L100 HydrophobicContact CD2-CD1 4.47Å; L36-F107 HydrophobicContact CD2-CD1 3.87Å; L36-F107 HydrophobicContact CD2-CE1 3.42Å; L36-F107 VanDerWaalsContact CD2-CE1 3.42Å; L36-F107 HydrophobicContact CD2-CZ 4.23Å; L36-M113 HydrophobicContact CD2-CE 4.02Å; L36-M113 HydrophobicContact CD2-SD 3.8Å; L36-M113 HydrophobicContact CG-CE 3.89Å; L36-M113 HydrophobicContact CG-SD 4.16Å; L36-L121 HydrophobicContact CD1-CD1 4.4Å |
| 37 | K | 82.3 | Confident | 80.1 | Confident | 65 Ų | 65 | 34.8 Ų | 34.8 | 28% | 0.283 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.4 | -44.6 | 177.9 | -176.8 | 176.8 | -177.9 | 168.4 | 0 | 110.9 | L33 E34 S41 S111 M113 L117 | L33-K37 WeakPolarHBondContact O-CB 3.05Å; L33-K37 PolarHBondContact O-N 3.46Å; E34-K37 WeakPolarHBondContact O-CB 3.24Å; E34-K37 PolarHBondContact O-N 3.03Å; K37-S41 VanDerWaalsContact O-CB 3.28Å; K37-S41 WeakPolarHBondContact O-CB 3.18Å; K37-S41 PolarHBondContact O-N 2.94Å; K37-S41 PolarHBondContact O-OG 3.13Å; K37-S111 PolarHBondContact NZ-O 3.44Å; K37-M113 HydrophobicContact CB-CG 4.48Å; K37-L117 HydrophobicContact CG-CD1 4.46Å |
| 38 | Q | 82.2 | Confident | 79.6 | Confident | 43 Ų | 43 | 37.5 Ų | 37.5 | 20% | 0.201 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.8 | -42.5 | 176.8 | -69.6 | 176.7 | 0.9 | 0 | 0 | 111.9 | W10 E34 L35 S41 Q42 | W10-Q38 HydrophobicContact CB-CB 4.1Å; W10-Q38 HydrophobicContact CG-CB 4.14Å; E34-Q38 WeakPolarHBondContact O-CB 3.49Å; E34-Q38 VanDerWaalsContact O-CG 3.31Å; E34-Q38 WeakPolarHBondContact O-CG 3.47Å; E34-Q38 PolarHBondContact O-N 3.5Å; L35-Q38 PolarHBondContact O-N 3.49Å; Q38-S41 PolarHBondContact O-N 3.06Å; Q38-S41 PolarHBondContact O-OG 3.3Å; Q38-Q42 VanDerWaalsContact O-CB 3.3Å; Q38-Q42 WeakPolarHBondContact O-CB 3.41Å; Q38-Q42 WeakPolarHBondContact O-CG 3.37Å; Q38-Q42 PolarHBondContact O-N 3.36Å |
| 39 | S | 82.4 | Confident | 78.9 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.6 | -44.4 | -179.5 | 64 | 0 | 0 | 0 | 0 | 111.7 | L35 L36 A43 S93 | L35-S39 WeakPolarHBondContact O-CB 3.4Å; L35-S39 PolarHBondContact O-N 3.2Å; L35-S39 PolarHBondContact O-OG 3.05Å; L36-S39 WeakPolarHBondContact CA-OG 3.04Å; L36-S39 PolarHBondContact O-OG 3.32Å; S39-A43 VanDerWaalsContact O-CB 3.31Å; S39-A43 WeakPolarHBondContact O-CB 3.14Å; S39-A43 PolarHBondContact O-N 3.01Å; S39-S93 WeakPolarHBondContact CB-OG 3.26Å; S39-S93 PolarHBondContact OG-OG 3.08Å |
| 40 | L | 82.9 | Confident | 78.1 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.6 | -40.6 | 177.3 | -73.2 | 166.8 | 0 | 0 | 0 | 112.3 | L36 A43 E44 S93 M113 L117 R120 L121 | L36-L40 HydrophobicContact CD1-CD1 3.82Å; L36-L40 HydrophobicContact CD1-CG 4.33Å; L36-L40 HydrophobicContact CG-CD1 4.07Å; L36-L40 WeakPolarHBondContact O-CB 3.4Å; L36-L40 WeakPolarHBondContact O-CG 3.49Å; L36-L40 PolarHBondContact O-N 3.06Å; L36-L40 VanDerWaalsContact O-N 3.09Å; L40-A43 PolarHBondContact O-N 2.9Å; L40-E44 PolarHBondContact O-N 3.02Å; L40-S93 WeakPolarHBondContact CG-OG 2.87Å; L40-M113 HydrophobicContact CD1-CE 3.26Å; L40-L117 HydrophobicContact CB-CB 4.18Å; L40-L117 HydrophobicContact CB-CD1 4.36Å; L40-L117 HydrophobicContact CB-CD2 4.07Å; L40-L117 HydrophobicContact CB-CG 4.44Å; L40-L117 HydrophobicContact CD1-CB 4.32Å; L40-R120 HydrophobicContact CD2-CG 4.33Å; L40-L121 HydrophobicContact CD1-CB 4.14Å; L40-L121 HydrophobicContact CD1-CD1 4.44Å; L40-L121 HydrophobicContact CD2-CB 4.33Å |
| 41 | S | 81.2 | Confident | 77 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -43.3 | 177.7 | 72.1 | 0 | 0 | 0 | 0 | 111.1 | K37 Q38 E44 I45 | K37-S41 VanDerWaalsContact O-CB 3.28Å; K37-S41 WeakPolarHBondContact O-CB 3.18Å; K37-S41 PolarHBondContact O-N 2.94Å; K37-S41 PolarHBondContact O-OG 3.13Å; Q38-S41 PolarHBondContact O-N 3.06Å; Q38-S41 PolarHBondContact O-OG 3.3Å; S41-E44 PolarHBondContact O-N 2.9Å; S41-I45 WeakPolarHBondContact O-CB 3.4Å; S41-I45 WeakPolarHBondContact O-CD1 3.49Å; S41-I45 WeakPolarHBondContact O-CG1 3.29Å; S41-I45 PolarHBondContact O-N 3.38Å |
| 42 | Q | 81.8 | Confident | 75.7 | Confident | 29 Ų | 29 | 41.8 Ų | 41.8 | 14% | 0.136 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.6 | -33.1 | 177.8 | -67 | -66.2 | -21.6 | 0 | 0 | 112.6 | W10 Q38 E44 S46 L89 | W10-Q42 HydrophobicContact CD2-CB 4.46Å; W10-Q42 HydrophobicContact CD2-CG 3.89Å; W10-Q42 HydrophobicContact CE3-CB 4.35Å; W10-Q42 HydrophobicContact CE3-CG 4.23Å; W10-Q42 HydrophobicContact CG-CG 4.5Å; W10-Q42 HydrophobicContact CH2-CB 4.48Å; W10-Q42 HydrophobicContact CH2-CG 4.12Å; W10-Q42 HydrophobicContact CZ2-CG 3.74Å; W10-Q42 HydrophobicContact CZ3-CB 4.36Å; W10-Q42 HydrophobicContact CZ3-CG 4.35Å; Q38-Q42 VanDerWaalsContact O-CB 3.3Å; Q38-Q42 WeakPolarHBondContact O-CB 3.41Å; Q38-Q42 WeakPolarHBondContact O-CG 3.37Å; Q38-Q42 PolarHBondContact O-N 3.36Å; Q42-E44 VanDerWaalsContact C-N 3.35Å; Q42-S46 VanDerWaalsContact O-CB 3.23Å; Q42-S46 WeakPolarHBondContact O-CB 2.92Å; Q42-S46 PolarHBondContact O-N 3.07Å; Q42-L89 HydrophobicContact CB-CD1 3.71Å |
| 43 | A | 79.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | S39 L40 S46 E47 L89 | S39-A43 VanDerWaalsContact O-CB 3.31Å; S39-A43 WeakPolarHBondContact O-CB 3.14Å; S39-A43 PolarHBondContact O-N 3.01Å; L40-A43 PolarHBondContact O-N 2.9Å; A43-S46 PolarHBondContact O-N 2.95Å; A43-E47 PolarHBondContact O-N 3.48Å; A43-E47 VanDerWaalsContact O-N 3.12Å; A43-L89 HydrophobicContact CB-CB 3.79Å; A43-L89 HydrophobicContact CB-CD1 4.28Å |
| 44 | E | 76.3 | Confident | 72.4 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.4 | -42.8 | 178.5 | -166.8 | -179.7 | 159.6 | 0 | 0 | 112.6 | L40 S41 Q42 S46 E47 R48 K116 L117 F211 | L40-E44 PolarHBondContact O-N 3.02Å; S41-E44 PolarHBondContact O-N 2.9Å; Q42-E44 VanDerWaalsContact C-N 3.35Å; E44-S46 VanDerWaalsContact C-N 3.33Å; E44-S46 PolarHBondContact O-N 3.22Å; E44-E47 PolarHBondContact O-N 3.24Å; E44-R48 WeakPolarHBondContact O-CG 3.46Å; E44-R48 PolarHBondContact O-N 3.41Å; E44-R48 IonicContact OE1-CZ 3.24Å; E44-R48 VanDerWaalsContact OE1-CZ 3.31Å; E44-R48 IonicContact OE1-NE 2.74Å; E44-R48 PolarHBondContact OE1-NE 3.12Å; E44-R48 IonicContact OE1-NH2 2.66Å; E44-R48 PolarHBondContact OE1-NH2 3.47Å; E44-K116 VanDerWaalsContact OE1-CD 3.23Å; E44-K116 WeakPolarHBondContact OE1-CD 3.28Å; E44-K116 WeakPolarHBondContact OE1-CE 3.31Å; E44-K116 IonicContact OE1-NZ 3.81Å; E44-K116 PolarHBondContact OE1-NZ 3.16Å; E44-K116 VanDerWaalsContact OE1-NZ 3.16Å; E44-L117 VanDerWaalsContact OE2-CD2 3.32Å; E44-L117 WeakPolarHBondContact OE2-CD2 3.41Å; E44-F211 WeakPolarHBondContact OE2-CE1 3.21Å |
| 45 | I | 76.2 | Confident | 70.5 | Confident | 60 Ų | 60 | 49.4 Ų | 49.4 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 175.4 | -69 | 163.1 | 0 | 0 | 0 | 110.4 | S41 E47 R48 K49 | S41-I45 WeakPolarHBondContact O-CB 3.4Å; S41-I45 WeakPolarHBondContact O-CD1 3.49Å; S41-I45 WeakPolarHBondContact O-CG1 3.29Å; S41-I45 PolarHBondContact O-N 3.38Å; I45-E47 VanDerWaalsContact C-N 3.27Å; I45-E47 PolarHBondContact O-N 3.38Å; I45-R48 PolarHBondContact O-N 3.35Å; I45-K49 HydrophobicContact CG2-CD 4.1Å; I45-K49 HydrophobicContact CG2-CG 4.44Å; I45-K49 WeakPolarHBondContact O-CB 3.45Å; I45-K49 WeakPolarHBondContact O-CG 3.15Å; I45-K49 PolarHBondContact O-N 3.46Å |
| 46 | S | 75 | Confident | 68.3 | Low | 20 Ų | 20 | 55.9 Ų | 55.9 | 14% | 0.14 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -41 | 177.3 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | Q42 A43 E44 T50 | Q42-S46 VanDerWaalsContact O-CB 3.23Å; Q42-S46 WeakPolarHBondContact O-CB 2.92Å; Q42-S46 PolarHBondContact O-N 3.07Å; A43-S46 PolarHBondContact O-N 2.95Å; E44-S46 VanDerWaalsContact C-N 3.33Å; E44-S46 PolarHBondContact O-N 3.22Å; S46-T50 PolarHBondContact O-N 2.91Å; S46-T50 VanDerWaalsContact O-N 3.12Å; S46-T50 PolarHBondContact O-OG1 3.44Å |
| 47 | E | 70.4 | Confident | 66 | Low | 50 Ų | 50 | 62.4 Ų | 62.4 | 23% | 0.234 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.1 | -41 | -178.1 | -165.4 | -177.7 | 133.1 | 0 | 0 | 112.5 | A43 E44 I45 K49 T50 S51 R120 I149 | A43-E47 PolarHBondContact O-N 3.48Å; A43-E47 VanDerWaalsContact O-N 3.12Å; E44-E47 PolarHBondContact O-N 3.24Å; I45-E47 VanDerWaalsContact C-N 3.27Å; I45-E47 PolarHBondContact O-N 3.38Å; E47-K49 VanDerWaalsContact C-N 3.33Å; E47-K49 PolarHBondContact O-N 3.43Å; E47-T50 VanDerWaalsContact C-OG1 3.32Å; E47-T50 VanDerWaalsContact CA-OG1 3.28Å; E47-T50 WeakPolarHBondContact CA-OG1 3.35Å; E47-T50 PolarHBondContact O-N 3.34Å; E47-T50 PolarHBondContact O-OG1 3.48Å; E47-S51 PolarHBondContact O-N 2.87Å; E47-S51 PolarHBondContact O-OG 2.66Å; E47-R120 IonicContact OE2-CZ 2.79Å; E47-R120 VanDerWaalsContact OE2-CZ 3.24Å; E47-R120 IonicContact OE2-NH1 3.67Å; E47-R120 PolarHBondContact OE2-NH1 2.89Å; E47-R120 IonicContact OE2-NH2 2.82Å; E47-R120 PolarHBondContact OE2-NH2 3.15Å; E47-I149 HydrophobicContact CG-CD1 3.87Å; E47-I149 WeakPolarHBondContact OE1-CD1 3.44Å; E47-I149 WeakPolarHBondContact OE2-CD1 3.4Å |
| 48 | R | 67.7 | Low | 63.7 | Low | 85 Ų | 85 | 66.2 Ų | 66.2 | 32% | 0.321 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 173.5 | -69.3 | -170.9 | -166 | 179.8 | 8.3 | 111.8 | E44 I45 T50 S51 L52 | E44-R48 WeakPolarHBondContact O-CG 3.46Å; E44-R48 PolarHBondContact O-N 3.41Å; E44-R48 IonicContact OE1-CZ 3.24Å; E44-R48 VanDerWaalsContact OE1-CZ 3.31Å; E44-R48 IonicContact OE1-NE 2.74Å; E44-R48 PolarHBondContact OE1-NE 3.12Å; E44-R48 IonicContact OE1-NH2 2.66Å; E44-R48 PolarHBondContact OE1-NH2 3.47Å; I45-R48 PolarHBondContact O-N 3.35Å; R48-T50 VanDerWaalsContact C-N 3.32Å; R48-T50 PolarHBondContact O-N 2.79Å; R48-S51 WeakPolarHBondContact CA-OG 3.3Å; R48-S51 PolarHBondContact O-N 3.25Å; R48-S51 PolarHBondContact O-OG 2.85Å; R48-L52 WeakPolarHBondContact O-CD1 3.28Å; R48-L52 PolarHBondContact O-N 3.39Å |
| 49 | K | 66.8 | Low | 61.2 | Low | 142 Ų | 142 | 68.6 Ų | 68.6 | 62% | 0.617 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.9 | -43.7 | 174.2 | -76.4 | -179.2 | 178.5 | -175.9 | 0 | 110.8 | I45 E47 S51 T53 | I45-K49 HydrophobicContact CG2-CD 4.1Å; I45-K49 HydrophobicContact CG2-CG 4.44Å; I45-K49 WeakPolarHBondContact O-CB 3.45Å; I45-K49 WeakPolarHBondContact O-CG 3.15Å; I45-K49 PolarHBondContact O-N 3.46Å; E47-K49 VanDerWaalsContact C-N 3.33Å; E47-K49 PolarHBondContact O-N 3.43Å; K49-S51 VanDerWaalsContact C-N 3.34Å; K49-S51 PolarHBondContact O-N 2.9Å; K49-T53 WeakPolarHBondContact O-CG2 3.45Å; K49-T53 PolarHBondContact O-N 2.97Å; K49-T53 VanDerWaalsContact O-N 3.1Å; K49-T53 PolarHBondContact O-OG1 2.96Å |
| 50 | T | 62.6 | Low | 58.8 | Low | 73 Ų | 73 | 75.2 Ų | 75.2 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67 | -30.6 | 175.7 | 48.6 | 0 | 0 | 0 | 0 | 113.9 | S46 E47 R48 T53 N54 | S46-T50 PolarHBondContact O-N 2.91Å; S46-T50 VanDerWaalsContact O-N 3.12Å; S46-T50 PolarHBondContact O-OG1 3.44Å; E47-T50 VanDerWaalsContact C-OG1 3.32Å; E47-T50 VanDerWaalsContact CA-OG1 3.28Å; E47-T50 WeakPolarHBondContact CA-OG1 3.35Å; E47-T50 PolarHBondContact O-N 3.34Å; E47-T50 PolarHBondContact O-OG1 3.48Å; R48-T50 VanDerWaalsContact C-N 3.32Å; R48-T50 PolarHBondContact O-N 2.79Å; T50-T53 WeakPolarHBondContact CA-OG1 3.31Å; T50-T53 PolarHBondContact O-OG1 3.4Å; T50-N54 PolarHBondContact O-N 3.27Å |
| 51 | S | 56.9 | Low | 56.3 | Low | 62 Ų | 62 | 81.8 Ų | 81.8 | 43% | 0.434 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -79.3 | -34.2 | 177.3 | 69 | 0 | 0 | 0 | 0 | 113.2 | E47 R48 K49 N54 | E47-S51 PolarHBondContact O-N 2.87Å; E47-S51 PolarHBondContact O-OG 2.66Å; R48-S51 WeakPolarHBondContact CA-OG 3.3Å; R48-S51 PolarHBondContact O-N 3.25Å; R48-S51 PolarHBondContact O-OG 2.85Å; K49-S51 VanDerWaalsContact C-N 3.34Å; K49-S51 PolarHBondContact O-N 2.9Å; S51-N54 PolarHBondContact O-N 2.63Å |
| 52 | L | 53.1 | Low | 53.8 | Low | 102 Ų | 102 | 87.6 Ų | 87.6 | 53% | 0.534 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 172.1 | -91.9 | 90.4 | 0 | 0 | 0 | 111.8 | R48 N54 C55 E56 | R48-L52 WeakPolarHBondContact O-CD1 3.28Å; R48-L52 PolarHBondContact O-N 3.39Å; L52-N54 PolarHBondContact O-N 3.02Å; L52-C55 PolarHBondContact O-N 2.91Å; L52-E56 PolarHBondContact O-N 3.15Å |
| 53 | T | 50.4 | Low | 51.3 | Low | 74 Ų | 74 | 95.7 Ų | 95.7 | 45% | 0.454 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -23.1 | 178.1 | 51.2 | 0 | 0 | 0 | 0 | 113.3 | K49 T50 N57 | K49-T53 WeakPolarHBondContact O-CG2 3.45Å; K49-T53 PolarHBondContact O-N 2.97Å; K49-T53 VanDerWaalsContact O-N 3.1Å; K49-T53 PolarHBondContact O-OG1 2.96Å; T50-T53 WeakPolarHBondContact CA-OG1 3.31Å; T50-T53 PolarHBondContact O-OG1 3.4Å; T53-N57 PolarHBondContact O-ND2 3.11Å |
| 54 | N | 44.9 | Very low | 49.2 | Very low | 102 Ų | 102 | 103.5 Ų | 103.5 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -82.1 | -14.3 | 174.9 | -77.9 | -4.9 | 0 | 0 | 0 | 113.5 | T50 S51 L52 | T50-N54 PolarHBondContact O-N 3.27Å; S51-N54 PolarHBondContact O-N 2.63Å; L52-N54 PolarHBondContact O-N 3.02Å |
| 55 | C | 39.5 | Very low | 47 | Very low | 100 Ų | 100 | 106 Ų | 106 | 68% | 0.676 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -95.2 | -29.3 | 177.2 | -78.5 | 0 | 0 | 0 | 0 | 113.5 | L52 | L52-C55 PolarHBondContact O-N 2.91Å |
| 56 | E | 37.8 | Very low | 44.8 | Very low | 139 Ų | 139 | 111.3 Ų | 111.3 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -80.2 | -20.9 | -178.2 | -72.1 | -179.2 | 164.7 | 0 | 0 | 113.8 | L52 N58 | L52-E56 PolarHBondContact O-N 3.15Å; E56-N58 PolarHBondContact O-N 3.15Å |
| 57 | N | 35.7 | Very low | 42.6 | Very low | 136 Ų | 136 | 117 Ų | 117 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 8.6 | -178.5 | -72.3 | -20.3 | 0 | 0 | 0 | 115.1 | T53 | T53-N57 PolarHBondContact O-ND2 3.11Š|
| 58 | N | 35.2 | Very low | 40.9 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 78% | 0.781 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | 12.1 | -179.9 | -79.9 | -29.4 | 0 | 0 | 0 | 114.6 | E56 | E56-N58 PolarHBondContact O-N 3.15Š|
| 59 | S | 29 | Very low | 39.3 | Very low | 92 Ų | 92 | 125.5 Ų | 125.5 | 64% | 0.643 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -157.7 | 132.4 | 169.5 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 60 | V | 31.4 | Very low | 37.5 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 86% | 0.855 | 70% | 0.702 | S | S | * | * | trans | 106.4 | 82.6 | 176.6 | -168.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 61 | D | 30.2 | Very low | 36 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | trans | -50.1 | 150 | 152.9 | -73.2 | -51.7 | 0 | 0 | 0 | 112.7 | ||||
| 62 | N | 29.6 | Very low | 34.9 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | 67.2 | 106.4 | 155.8 | -59 | -34 | 0 | 0 | 0 | 117.1 | ||||
| 63 | F | 29.6 | Very low | 33.9 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 87% | 0.873 | 74% | 0.735 | S | S | * | * | 179.4 | 127.3 | 115.5 | -106.1 | -81.8 | 0 | 0 | 0 | 110.6 | |||||
| 64 | I | 34 | Very low | 33.2 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | 78.5 | 105.5 | 167.6 | -44.9 | 162.5 | 0 | 0 | 0 | 113.7 | ||||
| 65 | G | 30.9 | Very low | 32.6 | Very low | 66 Ų | 66 | 140.8 Ų | 140.8 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | cis | 112.6 | 79.7 | 25.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 66 | E | 29.4 | Very low | 32 | Very low | 171 Ų | 171 | 145 Ų | 145 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | 40.3 | 134.8 | 145.1 | -59.6 | -174.3 | 169.7 | 0 | 0 | 123 | ||||
| 67 | N | 29.9 | Very low | 31.7 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 90.2 | 109.4 | 146.7 | -57.6 | -31.4 | 0 | 0 | 0 | 119.3 | ||||
| 68 | E | 33.8 | Very low | 31.3 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | 175.9 | 92.4 | 125.2 | -94.4 | 174.7 | -168 | 0 | 0 | 108.5 | |||||
| 69 | T | 35.2 | Very low | 31 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | 75.6 | 122.7 | 101.8 | 51 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 70 | M | 29 | Very low | 31.1 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | trans | -41.5 | 143.2 | -175.4 | -76.6 | -170.1 | 153.5 | 0 | 0 | 118 | ||||
| 71 | N | 30.8 | Very low | 31.3 | Very low | 139 Ų | 139 | 148.3 Ų | 148.3 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -124.6 | 134.3 | 148.3 | -135.1 | 8.2 | 0 | 0 | 0 | 109.7 | D73 | N71-D73 PolarHBondContact O-N 3.18Š| ||
| 72 | P | 32.6 | Very low | 31.7 | Very low | 98 Ų | 98 | 147.3 Ų | 147.3 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -94.8 | 47.3 | -164.6 | 39.2 | -35.4 | 0 | 0 | 0 | 114 | ||
| 73 | D | 33.6 | Very low | 32.7 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -112.1 | -3.2 | -176.5 | -77.9 | -29.3 | 0 | 0 | 0 | 115.8 | N71 I75 | N71-D73 PolarHBondContact O-N 3.18Å; D73-I75 PolarHBondContact O-N 2.86Å | ||
| 74 | D | 35.6 | Very low | 34.3 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | trans | -98.6 | 62 | 178.7 | -72.5 | -28.3 | 0 | 0 | 0 | 112.3 | ||||
| 75 | I | 31.3 | Very low | 36.3 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -85.8 | 7.7 | 170.7 | -68.7 | 172.7 | 0 | 0 | 0 | 111.4 | D73 | D73-I75 PolarHBondContact O-N 2.86Š| ||
| 76 | F | 27.6 | Very low | 38.4 | Very low | 189 Ų | 189 | 139.9 Ų | 139.9 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | trans | -101.4 | 105 | 176.3 | -106.7 | -102.9 | 0 | 0 | 0 | 111.6 | ||||
| 77 | V | 32.3 | Very low | 40.6 | Very low | 84 Ų | 84 | 137.3 Ų | 137.3 | 51% | 0.509 | 69% | 0.692 | S | S | . | * | trans | 99.1 | 84.9 | 134.3 | -162.1 | 0 | 0 | 0 | 0 | 116.9 | S79 | V77-S79 WeakPolarHBondContact CG1-OG 3.34Å; V77-S79 PolarHBondContact O-N 2.93Å | ||
| 78 | E | 27.1 | Very low | 42.9 | Very low | 206 Ų | 206 | 132 Ų | 132 | 96% | 0.963 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -47 | 31.7 | 149.3 | -132.7 | 160.6 | -179.9 | 0 | 0 | 116 | ||
| 79 | S | 27.7 | Very low | 45.3 | Very low | 75 Ų | 75 | 123.4 Ų | 123.4 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | trans | -118.8 | 16.3 | -177.8 | -47.4 | 0 | 0 | 0 | 0 | 115.1 | V77 R81 | V77-S79 WeakPolarHBondContact CG1-OG 3.34Å; V77-S79 PolarHBondContact O-N 2.93Å; S79-R81 PolarHBondContact O-N 2.98Å | ||
| 80 | S | 31.5 | Very low | 47.5 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 83% | 0.832 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 23.6 | -170.7 | 48.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 81 | R | 35.8 | Very low | 50 | Low | 240 Ų | 240 | 109.9 Ų | 109.9 | 91% | 0.906 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 4.5 | 176.2 | -71.8 | -171.3 | -179.5 | -174.3 | 1.3 | 116 | S79 | S79-R81 PolarHBondContact O-N 2.98Š|
| 82 | L | 38 | Very low | 52.5 | Low | 118 Ų | 118 | 103.4 Ų | 103.4 | 62% | 0.618 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -136.3 | 24.7 | -162 | -88.6 | 159.2 | 0 | 0 | 0 | 118.8 | ||
| 83 | F | 51.7 | Low | 55 | Low | 184 Ų | 184 | 98.8 Ų | 98.8 | 81% | 0.807 | 49% | 0.485 | S | S | * | . | trans | -134.9 | 93.9 | 173.8 | -107.2 | -94.9 | 0 | 0 | 0 | 112.4 | ||||
| 84 | K | 63.6 | Low | 57.5 | Low | 127 Ų | 127 | 92.3 Ų | 92.3 | 55% | 0.552 | 45% | 0.451 | S | S | * | . | trans | -91.9 | 108.4 | 171 | -76.5 | -169.2 | 176.8 | -173.2 | 0 | 109.7 | S86 R87 V88 E147 | K84-S86 PolarHBondContact O-N 3.26Å; K84-R87 HydrophobicContact CB-CB 4.35Å; K84-R87 PolarHBondContact O-N 2.99Å; K84-V88 PolarHBondContact O-N 3.23Å; K84-E147 IonicContact NZ-OE1 3.69Å; K84-E147 PolarHBondContact NZ-OE1 3.33Å | ||
| 85 | K | 74.3 | Confident | 59.8 | Low | 79 Ų | 79 | 84.9 Ų | 84.9 | 34% | 0.343 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -46.5 | -44.1 | 178.3 | -177 | -175.8 | 175.9 | -174.2 | 0 | 112.8 | L14 R87 V88 L89 | L14-K85 HydrophobicContact CD1-CG 3.98Å; L14-K85 HydrophobicContact CD2-CG 4.49Å; K85-R87 PolarHBondContact O-N 2.75Å; K85-V88 PolarHBondContact O-N 2.98Å; K85-L89 HydrophobicContact CG-CD1 4.03Å; K85-L89 WeakPolarHBondContact O-CG 3.44Å; K85-L89 PolarHBondContact O-N 2.98Å; K85-L89 VanDerWaalsContact O-N 3.16Å |
| 86 | S | 76.2 | Confident | 62.3 | Low | 17 Ų | 17 | 77.6 Ų | 77.6 | 12% | 0.119 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 178.9 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | K84 V88 L89 D90 | K84-S86 PolarHBondContact O-N 3.26Å; S86-V88 PolarHBondContact O-N 3.23Å; S86-L89 PolarHBondContact O-N 3.09Å; S86-D90 WeakPolarHBondContact O-CB 3.39Å; S86-D90 PolarHBondContact O-N 3Å |
| 87 | R | 75.7 | Confident | 65 | Low | 118 Ų | 118 | 68.6 Ų | 68.6 | 45% | 0.445 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.3 | -37.7 | -178.1 | -171.4 | 174.8 | -179.5 | 175.1 | -1.5 | 112.3 | K84 K85 D90 I91 R131 | K84-R87 HydrophobicContact CB-CB 4.35Å; K84-R87 PolarHBondContact O-N 2.99Å; K85-R87 PolarHBondContact O-N 2.75Å; R87-D90 PolarHBondContact O-N 3.16Å; R87-I91 HydrophobicContact CG-CD1 4.28Å; R87-I91 WeakPolarHBondContact O-CD1 3.5Å; R87-I91 VanDerWaalsContact O-CG1 3.26Å; R87-I91 WeakPolarHBondContact O-CG1 3.45Å; R87-I91 PolarHBondContact O-N 2.72Å; R87-R131 VanDerWaalsContact NH2-NH1 3.18Å |
| 88 | V | 78.4 | Confident | 67.4 | Low | 25 Ų | 25 | 64.9 Ų | 64.9 | 15% | 0.152 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 176.4 | 178.2 | 0 | 0 | 0 | 0 | 110.2 | P17 K84 K85 S86 D90 I91 M92 | P17-V88 HydrophobicContact CB-CG1 4.4Å; K84-V88 PolarHBondContact O-N 3.23Å; K85-V88 PolarHBondContact O-N 2.98Å; S86-V88 PolarHBondContact O-N 3.23Å; V88-D90 VanDerWaalsContact C-N 3.32Å; V88-D90 PolarHBondContact O-N 3.48Å; V88-I91 PolarHBondContact O-N 2.92Å; V88-M92 HydrophobicContact CG1-CE 3.51Å; V88-M92 HydrophobicContact CG1-SD 4.16Å; V88-M92 WeakPolarHBondContact O-CG 3.2Å; V88-M92 PolarHBondContact O-N 3.37Å |
| 89 | L | 83.2 | Confident | 70.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 176.2 | -70 | 172.8 | 0 | 0 | 0 | 112.5 | W10 L14 Q42 A43 K85 S86 M92 S93 | W10-L89 HydrophobicContact CE3-CD2 3.88Å; W10-L89 HydrophobicContact CZ3-CD2 4.42Å; L14-L89 HydrophobicContact CD1-CD1 4.18Å; L14-L89 HydrophobicContact CD1-CD2 3.49Å; L14-L89 VanDerWaalsContact CD1-CD2 3.49Å; L14-L89 HydrophobicContact CD1-CG 3.6Å; Q42-L89 HydrophobicContact CB-CD1 3.71Å; A43-L89 HydrophobicContact CB-CB 3.79Å; A43-L89 HydrophobicContact CB-CD1 4.28Å; K85-L89 HydrophobicContact CG-CD1 4.03Å; K85-L89 WeakPolarHBondContact O-CG 3.44Å; K85-L89 PolarHBondContact O-N 2.98Å; K85-L89 VanDerWaalsContact O-N 3.16Å; S86-L89 PolarHBondContact O-N 3.09Å; L89-M92 HydrophobicContact CD2-SD 4.24Å; L89-M92 PolarHBondContact O-N 2.63Å; L89-S93 WeakPolarHBondContact O-CB 2.98Å; L89-S93 PolarHBondContact O-N 3.03Å; L89-S93 PolarHBondContact O-OG 3.06Å |
| 90 | D | 82.2 | Confident | 72.6 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 6% | 0.064 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.5 | -40 | 174.7 | -75.3 | -27 | 0 | 0 | 0 | 112 | S86 R87 V88 S93 L94 R120 V124 | S86-D90 WeakPolarHBondContact O-CB 3.39Å; S86-D90 PolarHBondContact O-N 3Å; R87-D90 PolarHBondContact O-N 3.16Å; V88-D90 VanDerWaalsContact C-N 3.32Å; V88-D90 PolarHBondContact O-N 3.48Å; D90-S93 WeakPolarHBondContact O-CB 3.06Å; D90-S93 PolarHBondContact O-N 3.18Å; D90-L94 WeakPolarHBondContact O-CG 3.45Å; D90-L94 PolarHBondContact O-N 3.15Å; D90-R120 IonicContact OD1-CZ 2.65Å; D90-R120 IonicContact OD1-NE 3.59Å; D90-R120 PolarHBondContact OD1-NE 3.2Å; D90-R120 IonicContact OD1-NH2 2.91Å; D90-R120 PolarHBondContact OD1-NH2 3.16Å; D90-R120 IonicContact OD2-CZ 3.49Å; D90-R120 IonicContact OD2-NE 2.66Å; D90-R120 IonicContact OD2-NH2 3.34Å; D90-R120 PolarHBondContact OD2-NH2 2.84Å; D90-V124 HydrophobicContact CB-CG1 3.86Å; D90-V124 HydrophobicContact CB-CG2 4.35Å |
| 91 | I | 81.1 | Confident | 74.9 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.5 | -43.6 | 175.5 | -68.9 | 165.2 | 0 | 0 | 0 | 110.8 | R87 V88 S93 L94 Q95 F252 T254 | R87-I91 HydrophobicContact CG-CD1 4.28Å; R87-I91 WeakPolarHBondContact O-CD1 3.5Å; R87-I91 VanDerWaalsContact O-CG1 3.26Å; R87-I91 WeakPolarHBondContact O-CG1 3.45Å; R87-I91 PolarHBondContact O-N 2.72Å; V88-I91 PolarHBondContact O-N 2.92Å; I91-S93 VanDerWaalsContact C-N 3.3Å; I91-S93 PolarHBondContact O-N 3.33Å; I91-L94 WeakPolarHBondContact O-CB 3.45Å; I91-L94 PolarHBondContact O-N 3.02Å; I91-L94 VanDerWaalsContact O-N 3.15Å; I91-Q95 WeakPolarHBondContact O-CG 3.23Å; I91-Q95 PolarHBondContact O-N 2.8Å; I91-F252 HydrophobicContact CG2-CB 4.39Å; I91-F252 WeakPolarHBondContact CG2-O 3.42Å; I91-T254 HydrophobicContact CG2-CG2 3.93Å |
| 92 | M | 83.3 | Confident | 76.9 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.02 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.3 | -45 | 173.7 | -70.5 | 168.2 | 176.3 | 0 | 0 | 111.4 | Y13 P17 L20 V88 L89 L94 Q95 I96 | Y13-M92 VanDerWaalsContact C-CE 3.4Å; Y13-M92 WeakPolarHBondContact O-CE 3.47Å; P17-M92 HydrophobicContact CB-CE 3.56Å; L20-M92 HydrophobicContact CD2-CB 3.68Å; L20-M92 HydrophobicContact CD2-CG 3.73Å; V88-M92 HydrophobicContact CG1-CE 3.51Å; V88-M92 HydrophobicContact CG1-SD 4.16Å; V88-M92 WeakPolarHBondContact O-CG 3.2Å; V88-M92 PolarHBondContact O-N 3.37Å; L89-M92 HydrophobicContact CD2-SD 4.24Å; L89-M92 PolarHBondContact O-N 2.63Å; M92-L94 VanDerWaalsContact C-N 3.26Å; M92-L94 PolarHBondContact O-N 2.91Å; M92-Q95 PolarHBondContact O-N 3.39Å; M92-I96 WeakPolarHBondContact O-CD1 3.47Å; M92-I96 VanDerWaalsContact O-CG1 3.28Å; M92-I96 WeakPolarHBondContact O-CG1 3.21Å; M92-I96 PolarHBondContact O-N 3.43Å |
| 93 | S | 85.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59 | -39.6 | 177.2 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | L36 S39 L40 L89 D90 I91 A97 | L36-S93 VanDerWaalsContact CD1-O 3.26Å; L36-S93 WeakPolarHBondContact CD1-O 3.39Å; S39-S93 WeakPolarHBondContact CB-OG 3.26Å; S39-S93 PolarHBondContact OG-OG 3.08Å; L40-S93 WeakPolarHBondContact CG-OG 2.87Å; L89-S93 WeakPolarHBondContact O-CB 2.98Å; L89-S93 PolarHBondContact O-N 3.03Å; L89-S93 PolarHBondContact O-OG 3.06Å; D90-S93 WeakPolarHBondContact O-CB 3.06Å; D90-S93 PolarHBondContact O-N 3.18Å; I91-S93 VanDerWaalsContact C-N 3.3Å; I91-S93 PolarHBondContact O-N 3.33Å; S93-A97 WeakPolarHBondContact O-CB 3.43Å; S93-A97 PolarHBondContact O-N 3.42Å |
| 94 | L | 85 | Confident | 79.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.4 | -38.7 | 175.5 | -75.1 | 174.1 | 0 | 0 | 0 | 113.6 | D90 I91 M92 I96 A97 A98 F102 L121 V124 L125 N128 F252 | D90-L94 WeakPolarHBondContact O-CG 3.45Å; D90-L94 PolarHBondContact O-N 3.15Å; I91-L94 WeakPolarHBondContact O-CB 3.45Å; I91-L94 PolarHBondContact O-N 3.02Å; I91-L94 VanDerWaalsContact O-N 3.15Å; M92-L94 VanDerWaalsContact C-N 3.26Å; M92-L94 PolarHBondContact O-N 2.91Å; L94-I96 VanDerWaalsContact C-N 3.33Å; L94-I96 PolarHBondContact O-N 3.13Å; L94-A97 PolarHBondContact O-N 3.28Å; L94-A98 WeakPolarHBondContact O-CB 3.22Å; L94-A98 PolarHBondContact O-N 3.27Å; L94-F102 HydrophobicContact CD2-CE1 4.26Å; L94-F102 HydrophobicContact CD2-CZ 4.15Å; L94-L121 HydrophobicContact CD2-CD1 4.15Å; L94-V124 HydrophobicContact CD1-CG1 3.6Å; L94-V124 HydrophobicContact CG-CG1 4.04Å; L94-L125 HydrophobicContact CD2-CB 3.86Å; L94-L125 HydrophobicContact CD2-CD1 4.12Å; L94-N128 HydrophobicContact CD1-CB 4.11Å; L94-N128 WeakPolarHBondContact CD1-ND2 3.41Å; L94-F252 HydrophobicContact CB-CB 4.31Å; L94-F252 HydrophobicContact CB-CD1 4.06Å; L94-F252 HydrophobicContact CB-CD2 4Å; L94-F252 HydrophobicContact CB-CE1 4.38Å; L94-F252 HydrophobicContact CB-CE2 4.34Å; L94-F252 HydrophobicContact CB-CG 3.85Å; L94-F252 HydrophobicContact CD1-CD1 3.83Å; L94-F252 HydrophobicContact CD1-CE1 3.9Å; L94-F252 HydrophobicContact CD1-CG 4.44Å |
| 95 | Q | 84.1 | Confident | 80.2 | Confident | 5 Ų | 5 | 24.6 Ų | 24.6 | 2% | 0.023 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.4 | -46.2 | 175.1 | -71.2 | 177.3 | -12 | 0 | 0 | 110.8 | I24 I91 M92 N99 F252 | I24-Q95 HydrophobicContact CD1-CB 3.95Å; I91-Q95 WeakPolarHBondContact O-CG 3.23Å; I91-Q95 PolarHBondContact O-N 2.8Å; M92-Q95 PolarHBondContact O-N 3.39Å; Q95-N99 PolarHBondContact O-N 2.94Å; Q95-F252 HydrophobicContact CG-CB 3.79Å; Q95-F252 WeakPolarHBondContact CG-O 3.44Å; Q95-F252 PolarHBondContact NE2-O 3.42Å |
| 96 | I | 83.6 | Confident | 80 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.2 | -46.4 | 177.8 | -58.9 | 157.8 | 0 | 0 | 0 | 110.7 | L20 Q32 L35 L36 M92 L94 A98 N99 L100 | L20-I96 HydrophobicContact CD1-CG1 4.49Å; L20-I96 HydrophobicContact CD2-CD1 4.27Å; L20-I96 HydrophobicContact CD2-CG1 4.15Å; Q32-I96 HydrophobicContact CB-CG2 4.01Å; Q32-I96 WeakPolarHBondContact O-CG2 3.41Å; L35-I96 HydrophobicContact CB-CD1 4.21Å; L35-I96 HydrophobicContact CD2-CD1 3.5Å; L35-I96 HydrophobicContact CD2-CG1 4.28Å; L35-I96 HydrophobicContact CG-CD1 4.07Å; L36-I96 HydrophobicContact CB-CD1 4.41Å; L36-I96 HydrophobicContact CB-CG2 3.95Å; L36-I96 HydrophobicContact CD1-CB 4.4Å; M92-I96 WeakPolarHBondContact O-CD1 3.47Å; M92-I96 VanDerWaalsContact O-CG1 3.28Å; M92-I96 WeakPolarHBondContact O-CG1 3.21Å; M92-I96 PolarHBondContact O-N 3.43Å; L94-I96 VanDerWaalsContact C-N 3.33Å; L94-I96 PolarHBondContact O-N 3.13Å; I96-A98 VanDerWaalsContact C-N 3.32Å; I96-A98 PolarHBondContact O-N 3.03Å; I96-N99 WeakPolarHBondContact O-CB 3.39Å; I96-N99 PolarHBondContact O-N 3.1Å; I96-L100 HydrophobicContact CG2-CD1 4.12Å; I96-L100 WeakPolarHBondContact O-CG 3.5Å; I96-L100 PolarHBondContact O-N 2.99Å |
| 97 | A | 84.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.4 | -33.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S93 L94 L100 K101 F102 F107 L121 | S93-A97 WeakPolarHBondContact O-CB 3.43Å; S93-A97 PolarHBondContact O-N 3.42Å; L94-A97 PolarHBondContact O-N 3.28Å; A97-L100 CarbonylContact O-C 3.49Å; A97-L100 PolarHBondContact O-N 3.34Å; A97-K101 PolarHBondContact O-N 2.74Å; A97-K101 VanDerWaalsContact O-N 3.1Å; A97-F102 HydrophobicContact CB-CD1 3.96Å; A97-F102 HydrophobicContact CB-CE1 3.52Å; A97-F102 HydrophobicContact CB-CZ 3.91Å; A97-F102 PolarHBondContact O-N 3.24Å; A97-F107 HydrophobicContact CB-CZ 4.17Å; A97-L121 HydrophobicContact CB-CD1 3.85Å; A97-L121 HydrophobicContact CB-CD2 3.94Å; A97-L121 HydrophobicContact CB-CG 4.38Å |
| 98 | A | 83.4 | Confident | 79.4 | Confident | 6 Ų | 6 | 21.2 Ų | 21.2 | 5% | 0.05 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | L94 I96 L100 K101 F102 P249 F252 | L94-A98 WeakPolarHBondContact O-CB 3.22Å; L94-A98 PolarHBondContact O-N 3.27Å; I96-A98 VanDerWaalsContact C-N 3.32Å; I96-A98 PolarHBondContact O-N 3.03Å; A98-L100 VanDerWaalsContact C-N 3.31Å; A98-L100 PolarHBondContact O-N 3.02Å; A98-K101 PolarHBondContact O-N 3.38Å; A98-K101 VanDerWaalsContact O-N 3.09Å; A98-F102 HydrophobicContact CB-CE2 4.24Å; A98-P249 HydrophobicContact CB-CG 4.17Å; A98-F252 HydrophobicContact CB-CD2 4.03Å; A98-F252 HydrophobicContact CB-CE2 3.8Å |
| 99 | N | 83.1 | Confident | 78.6 | Confident | 54 Ų | 54 | 25.6 Ų | 25.6 | 29% | 0.289 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -63.7 | -39.1 | 173.3 | -167.8 | 52.1 | 0 | 0 | 0 | 111.8 | I24 Q32 Q95 I96 K101 P249 | I24-N99 HydrophobicContact CG2-CB 3.63Å; I24-N99 WeakPolarHBondContact CG2-ND2 3.47Å; Q32-N99 PolarHBondContact NE2-ND2 3.36Å; Q32-N99 VanDerWaalsContact NE2-ND2 3.19Å; Q32-N99 PolarHBondContact OE1-ND2 3.2Å; Q95-N99 PolarHBondContact O-N 2.94Å; I96-N99 WeakPolarHBondContact O-CB 3.39Å; I96-N99 PolarHBondContact O-N 3.1Å; N99-K101 PolarHBondContact O-N 3.49Å; N99-P249 HydrophobicContact CB-CG 4.13Å |
| 100 | L | 80.3 | Confident | 77.5 | Confident | 11 Ų | 11 | 29.9 Ų | 29.9 | 6% | 0.058 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 7.6 | 174.5 | -62.8 | 173.6 | 0 | 0 | 0 | 113.7 | I29 L33 L36 I96 A97 A98 F102 N103 L106 F107 | I29-L100 HydrophobicContact CG2-CD2 4.23Å; L33-L100 HydrophobicContact CD2-CD1 3.57Å; L33-L100 HydrophobicContact CG-CD1 4.03Å; L36-L100 HydrophobicContact CD2-CD1 4.47Å; I96-L100 HydrophobicContact CG2-CD1 4.12Å; I96-L100 WeakPolarHBondContact O-CG 3.5Å; I96-L100 PolarHBondContact O-N 2.99Å; A97-L100 CarbonylContact O-C 3.49Å; A97-L100 PolarHBondContact O-N 3.34Å; A98-L100 VanDerWaalsContact C-N 3.31Å; A98-L100 PolarHBondContact O-N 3.02Å; L100-F102 PolarHBondContact O-N 3.16Å; L100-N103 WeakPolarHBondContact O-CB 3.17Å; L100-N103 PolarHBondContact O-N 2.9Å; L100-N103 VanDerWaalsContact O-N 3.14Å; L100-L106 HydrophobicContact CD2-CD1 4.33Å; L100-F107 HydrophobicContact CB-CE1 4.38Å; L100-F107 HydrophobicContact CD1-CE1 3.92Å |
| 101 | K | 79.1 | Confident | 76.4 | Confident | 84 Ų | 84 | 30 Ų | 30 | 37% | 0.365 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 25.7 | 178.5 | -55.8 | 166.9 | 166.1 | -175.8 | 0 | 114.6 | A97 A98 N99 N103 Y169 R246 D336 | A97-K101 PolarHBondContact O-N 2.74Å; A97-K101 VanDerWaalsContact O-N 3.1Å; A98-K101 PolarHBondContact O-N 3.38Å; A98-K101 VanDerWaalsContact O-N 3.09Å; N99-K101 PolarHBondContact O-N 3.49Å; K101-N103 PolarHBondContact O-N 3.33Å; K101-Y169 PolarHBondContact O-OH 2.97Å; K101-R246 VanDerWaalsContact CD-NH1 3.25Å; K101-D336 HydrophobicContact CD-CB 4.43Å; K101-D336 VanDerWaalsContact CD-OD2 3.25Å; K101-D336 WeakPolarHBondContact CD-OD2 3.45Å; K101-D336 IonicContact NZ-OD2 3.44Å; K101-D336 PolarHBondContact NZ-OD2 2.64Å |
| 102 | F | 79.6 | Confident | 75.8 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.013 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 31.9 | -174.5 | -61.8 | -87.1 | 0 | 0 | 0 | 114.7 | L94 A97 A98 L100 L104 L121 Y122 L125 Y169 P247 | L94-F102 HydrophobicContact CD2-CE1 4.26Å; L94-F102 HydrophobicContact CD2-CZ 4.15Å; A97-F102 HydrophobicContact CB-CD1 3.96Å; A97-F102 HydrophobicContact CB-CE1 3.52Å; A97-F102 HydrophobicContact CB-CZ 3.91Å; A97-F102 PolarHBondContact O-N 3.24Å; A98-F102 HydrophobicContact CB-CE2 4.24Å; L100-F102 PolarHBondContact O-N 3.16Å; F102-L104 PolarHBondContact O-N 3.4Å; F102-L121 HydrophobicContact CE1-CG 4.47Å; F102-Y122 HydrophobicContact CB-CE1 4.48Å; F102-Y122 HydrophobicContact CD1-CE1 4.2Å; F102-Y122 PolarHBondContact O-OH 3.42Å; F102-L125 HydrophobicContact CD1-CD2 4.06Å; F102-L125 HydrophobicContact CE1-CB 4.45Å; F102-L125 HydrophobicContact CE1-CD1 4.14Å; F102-L125 HydrophobicContact CE1-CD2 3.79Å; F102-L125 HydrophobicContact CE1-CG 4.35Å; F102-L125 HydrophobicContact CE2-CD1 4.1Å; F102-L125 HydrophobicContact CE2-CD2 4.35Å; F102-L125 HydrophobicContact CG-CD2 4.46Å; F102-L125 HydrophobicContact CZ-CD1 3.6Å; F102-L125 HydrophobicContact CZ-CD2 3.97Å; F102-L125 HydrophobicContact CZ-CG 4.28Å; F102-Y169 AromaticContact CD2-CE1 3.96Å; F102-Y169 HydrophobicContact CD2-CE1 3.96Å; F102-Y169 HydrophobicContact CE2-CE1 4.41Å; F102-P247 HydrophobicContact CE2-CG 4.25Å |
| 103 | N | 77.6 | Confident | 75.3 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | trans | -67.7 | 113 | -178.5 | 180 | -24.4 | 0 | 0 | 0 | 111.7 | L100 K101 N105 L106 F107 | L100-N103 WeakPolarHBondContact O-CB 3.17Å; L100-N103 PolarHBondContact O-N 2.9Å; L100-N103 VanDerWaalsContact O-N 3.14Å; K101-N103 PolarHBondContact O-N 3.33Å; N103-N105 VanDerWaalsContact C-N 3.29Å; N103-N105 PolarHBondContact O-N 3.23Å; N103-N105 WeakPolarHBondContact OD1-CB 3.23Å; N103-N105 PolarHBondContact OD1-N 3.21Å; N103-L106 HydrophobicContact CB-CB 4.33Å; N103-L106 HydrophobicContact CB-CD1 3.8Å; N103-L106 HydrophobicContact CB-CG 4.1Å; N103-L106 PolarHBondContact O-N 3.39Å; N103-L106 PolarHBondContact OD1-N 3.32Å; N103-F107 WeakPolarHBondContact O-CD2 3.33Å; N103-F107 PolarHBondContact O-N 3.44Å | ||
| 104 | L | 72.5 | Confident | 74.8 | Confident | 11 Ų | 11 | 36.1 Ų | 36.1 | 6% | 0.058 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -32.4 | -176.4 | -74.1 | 170.8 | 0 | 0 | 0 | 113.7 | F102 R108 Y122 I176 W177 H180 E337 | F102-L104 PolarHBondContact O-N 3.4Å; L104-R108 PolarHBondContact O-N 2.9Å; L104-Y122 HydrophobicContact CD2-CE2 4.17Å; L104-Y122 WeakPolarHBondContact CD2-OH 3.43Å; L104-I176 HydrophobicContact CD1-CG2 3.68Å; L104-W177 HydrophobicContact CD2-CB 3.99Å; L104-W177 HydrophobicContact CD2-CG 4.22Å; L104-H180 HydrophobicContact CD1-CB 4.11Å; L104-E337 WeakPolarHBondContact CD1-O 3.36Å |
| 105 | N | 71.1 | Confident | 74.5 | Confident | 47 Ų | 47 | 37.3 Ų | 37.3 | 25% | 0.251 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -71.8 | -35.8 | 179.5 | -73.6 | -18.5 | 0 | 0 | 0 | 111.4 | N103 R108 V109 Y334 G339 | N103-N105 VanDerWaalsContact C-N 3.29Å; N103-N105 PolarHBondContact O-N 3.23Å; N103-N105 WeakPolarHBondContact OD1-CB 3.23Å; N103-N105 PolarHBondContact OD1-N 3.21Å; N105-R108 PolarHBondContact O-N 3.32Å; N105-V109 WeakPolarHBondContact O-CB 3.27Å; N105-V109 VanDerWaalsContact O-CG2 3.31Å; N105-V109 WeakPolarHBondContact O-CG2 3.24Å; N105-V109 PolarHBondContact O-N 3.44Å; N105-Y334 PolarHBondContact ND2-OH 2.91Å; N105-G339 WeakPolarHBondContact ND2-CA 3.34Å; N105-G339 PolarHBondContact ND2-O 3.09Å |
| 106 | L | 71.5 | Confident | 74.3 | Confident | 40 Ų | 40 | 39.8 Ų | 39.8 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.2 | -43 | 178 | -72 | 173.4 | 0 | 0 | 0 | 111.7 | I29 L100 N103 R108 I110 | I29-L106 HydrophobicContact CG2-CD2 4.44Å; L100-L106 HydrophobicContact CD2-CD1 4.33Å; N103-L106 HydrophobicContact CB-CB 4.33Å; N103-L106 HydrophobicContact CB-CD1 3.8Å; N103-L106 HydrophobicContact CB-CG 4.1Å; N103-L106 PolarHBondContact O-N 3.39Å; N103-L106 PolarHBondContact OD1-N 3.32Å; L106-R108 VanDerWaalsContact C-N 3.28Å; L106-R108 PolarHBondContact O-N 3.03Å; L106-I110 HydrophobicContact CD2-CD1 3.48Å; L106-I110 VanDerWaalsContact CD2-CD1 3.48Å; L106-I110 PolarHBondContact O-N 2.9Å |
| 107 | F | 73.8 | Confident | 74.2 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.2 | -27.4 | 179.3 | -59 | -37 | 0 | 0 | 0 | 113.8 | L33 L36 A97 L100 N103 S111 M113 L118 L121 | L33-F107 HydrophobicContact CD2-CD1 3.73Å; L33-F107 HydrophobicContact CD2-CE1 4.09Å; L36-F107 HydrophobicContact CD2-CD1 3.87Å; L36-F107 HydrophobicContact CD2-CE1 3.42Å; L36-F107 VanDerWaalsContact CD2-CE1 3.42Å; L36-F107 HydrophobicContact CD2-CZ 4.23Å; A97-F107 HydrophobicContact CB-CZ 4.17Å; L100-F107 HydrophobicContact CB-CE1 4.38Å; L100-F107 HydrophobicContact CD1-CE1 3.92Å; N103-F107 WeakPolarHBondContact O-CD2 3.33Å; N103-F107 PolarHBondContact O-N 3.44Å; F107-S111 PolarHBondContact O-OG 2.78Å; F107-M113 HydrophobicContact CB-SD 4.32Å; F107-M113 HydrophobicContact CD1-SD 4.08Å; F107-M113 HydrophobicContact CG-SD 4.42Å; F107-M113 PolarHBondContact O-N 3.44Å; F107-L118 HydrophobicContact CB-CD2 3.83Å; F107-L118 HydrophobicContact CD2-CD2 3.76Å; F107-L118 HydrophobicContact CG-CD2 3.93Å; F107-L121 HydrophobicContact CE2-CD2 4.14Å; F107-L121 HydrophobicContact CZ-CD2 4.17Å |
| 108 | R | 65.3 | Low | 74.1 | Confident | 102 Ų | 102 | 40.6 Ų | 40.6 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -90.5 | -46.8 | -179.1 | -172.9 | 176.8 | 176.1 | -165.2 | -2.5 | 113.3 | L104 N105 L106 H180 | L104-R108 PolarHBondContact O-N 2.9Å; N105-R108 PolarHBondContact O-N 3.32Å; L106-R108 VanDerWaalsContact C-N 3.28Å; L106-R108 PolarHBondContact O-N 3.03Å; R108-H180 PolarHBondContact NH1-NE2 3.26Å |
| 109 | V | 61.1 | Low | 74 | Confident | 117 Ų | 117 | 40.3 Ų | 40.3 | 71% | 0.709 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -80.4 | -32.7 | -169.2 | 178.2 | 0 | 0 | 0 | 0 | 112.4 | N105 | N105-V109 WeakPolarHBondContact O-CB 3.27Å; N105-V109 VanDerWaalsContact O-CG2 3.31Å; N105-V109 WeakPolarHBondContact O-CG2 3.24Å; N105-V109 PolarHBondContact O-N 3.44Å |
| 110 | I | 60 | Low | 74 | Confident | 90 Ų | 90 | 38.6 Ų | 38.6 | 46% | 0.462 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -35 | -169.8 | -57.8 | 175.9 | 0 | 0 | 0 | 112.7 | L33 L106 | L33-I110 HydrophobicContact CD1-CB 3.59Å; L33-I110 HydrophobicContact CD1-CD1 4.09Å; L33-I110 HydrophobicContact CD1-CG1 4.42Å; L33-I110 HydrophobicContact CD1-CG2 3.45Å; L33-I110 VanDerWaalsContact CD1-CG2 3.45Å; L106-I110 HydrophobicContact CD2-CD1 3.48Å; L106-I110 VanDerWaalsContact CD2-CD1 3.48Å; L106-I110 PolarHBondContact O-N 2.9Å |
| 111 | S | 58.9 | Low | 74.3 | Confident | 14 Ų | 14 | 38.1 Ų | 38.1 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -3.3 | -173 | 50.5 | 0 | 0 | 0 | 0 | 115.4 | K37 F107 M113 | K37-S111 PolarHBondContact NZ-O 3.44Å; F107-S111 PolarHBondContact O-OG 2.78Å; S111-M113 PolarHBondContact O-N 3.07Å; S111-M113 VanDerWaalsContact O-N 3.16Å; S111-M113 WeakPolarHBondContact OG-CG 3.47Å |
| 112 | E | 67.9 | Low | 74.6 | Confident | 134 Ų | 134 | 34.2 Ų | 34.2 | 63% | 0.626 | 17% | 0.172 | S | C | * | . | trans | 38.7 | 51.2 | -172.8 | -66.7 | -170.1 | 162.2 | 0 | 0 | 111.5 | P114 | E112-P114 WeakPolarHBondContact O-CD 3.5Š| ||
| 113 | M | 73.5 | Confident | 74.7 | Confident | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.059 | 18% | 0.183 | C | C | . | . | trans | -63.6 | 126.7 | -177.7 | -78.1 | 176.5 | 75.9 | 0 | 0 | 110.2 | L36 K37 L40 F107 S111 L117 L118 | L36-M113 HydrophobicContact CD2-CE 4.02Å; L36-M113 HydrophobicContact CD2-SD 3.8Å; L36-M113 HydrophobicContact CG-CE 3.89Å; L36-M113 HydrophobicContact CG-SD 4.16Å; K37-M113 HydrophobicContact CB-CG 4.48Å; L40-M113 HydrophobicContact CD1-CE 3.26Å; F107-M113 HydrophobicContact CB-SD 4.32Å; F107-M113 HydrophobicContact CD1-SD 4.08Å; F107-M113 HydrophobicContact CG-SD 4.42Å; F107-M113 PolarHBondContact O-N 3.44Å; S111-M113 PolarHBondContact O-N 3.07Å; S111-M113 VanDerWaalsContact O-N 3.16Å; S111-M113 WeakPolarHBondContact OG-CG 3.47Å; M113-L117 HydrophobicContact CE-CB 4.26Å; M113-L118 HydrophobicContact CB-CD1 4.26Å; M113-L118 HydrophobicContact CB-CG 4.15Å; M113-L118 HydrophobicContact CE-CD2 4.41Å | ||
| 114 | P | 75.5 | Confident | 75 | Confident | 14 Ų | 14 | 36.8 Ų | 36.8 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | trans | -54 | 142.8 | 174.7 | -25.7 | 32.4 | 0 | 0 | 0 | 112 | E112 K116 L117 L118 F211 | E112-P114 WeakPolarHBondContact O-CD 3.5Å; P114-K116 PolarHBondContact O-N 2.95Å; P114-L117 HydrophobicContact CB-CG 4.45Å; P114-L117 HydrophobicContact CG-CD1 4.32Å; P114-L117 HydrophobicContact CG-CG 4.45Å; P114-L117 PolarHBondContact O-N 3.48Å; P114-L118 PolarHBondContact O-N 2.93Å; P114-F211 HydrophobicContact CB-CB 3.71Å; P114-F211 HydrophobicContact CB-CD1 4.27Å; P114-F211 HydrophobicContact CB-CG 4.17Å; P114-F211 HydrophobicContact CG-CB 3.5Å; P114-F211 VanDerWaalsContact CG-CB 3.5Å; P114-F211 HydrophobicContact CG-CD1 4.25Å; P114-F211 HydrophobicContact CG-CD2 4.35Å; P114-F211 HydrophobicContact CG-CG 3.79Å | ||
| 115 | V | 78.2 | Confident | 75.6 | Confident | 25 Ų | 25 | 36.3 Ų | 36.3 | 15% | 0.152 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -51.9 | -32.9 | 178.8 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | L118 A119 W177 V181 N214 V218 | V115-L118 PolarHBondContact O-N 2.61Å; V115-A119 WeakPolarHBondContact O-CB 3.44Å; V115-A119 PolarHBondContact O-N 3.18Å; V115-W177 HydrophobicContact CG1-CH2 4.45Å; V115-W177 HydrophobicContact CG1-CZ2 3.86Å; V115-V181 HydrophobicContact CG1-CG1 4.4Å; V115-V181 HydrophobicContact CG1-CG2 4.22Å; V115-N214 HydrophobicContact CB-CB 4.38Å; V115-N214 HydrophobicContact CG2-CB 4.46Å; V115-V218 HydrophobicContact CB-CG2 4.39Å; V115-V218 HydrophobicContact CG1-CG2 4.06Å; V115-V218 HydrophobicContact CG2-CG2 4.16Å |
| 116 | K | 79.4 | Confident | 76.2 | Confident | 56 Ų | 56 | 34.2 Ų | 34.2 | 24% | 0.243 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 174.9 | -169.5 | 155.2 | -158 | -175.6 | 0 | 116.3 | E44 P114 L118 A119 R120 E217 | E44-K116 VanDerWaalsContact OE1-CD 3.23Å; E44-K116 WeakPolarHBondContact OE1-CD 3.28Å; E44-K116 WeakPolarHBondContact OE1-CE 3.31Å; E44-K116 IonicContact OE1-NZ 3.81Å; E44-K116 PolarHBondContact OE1-NZ 3.16Å; E44-K116 VanDerWaalsContact OE1-NZ 3.16Å; P114-K116 PolarHBondContact O-N 2.95Å; K116-L118 VanDerWaalsContact C-N 3.3Å; K116-L118 PolarHBondContact O-N 3.29Å; K116-A119 PolarHBondContact O-N 3.24Å; K116-R120 PolarHBondContact O-N 3.38Å; K116-E217 WeakPolarHBondContact CA-OE2 3.1Å; K116-E217 WeakPolarHBondContact CB-OE2 3.46Å; K116-E217 WeakPolarHBondContact CE-OE1 3.49Å; K116-E217 VanDerWaalsContact CG-OE1 3.31Å; K116-E217 WeakPolarHBondContact CG-OE1 3.31Å; K116-E217 VanDerWaalsContact CG-OE2 3.25Å; K116-E217 WeakPolarHBondContact CG-OE2 3.49Å; K116-E217 PolarHBondContact N-OE2 3.16Å |
| 117 | L | 81.7 | Confident | 76.6 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.8 | -37.2 | 178.4 | -61.6 | -173.2 | 0 | 0 | 0 | 110.5 | K37 L40 E44 M113 P114 R120 L121 F211 | K37-L117 HydrophobicContact CG-CD1 4.46Å; L40-L117 HydrophobicContact CB-CB 4.18Å; L40-L117 HydrophobicContact CB-CD1 4.36Å; L40-L117 HydrophobicContact CB-CD2 4.07Å; L40-L117 HydrophobicContact CB-CG 4.44Å; L40-L117 HydrophobicContact CD1-CB 4.32Å; E44-L117 VanDerWaalsContact OE2-CD2 3.32Å; E44-L117 WeakPolarHBondContact OE2-CD2 3.41Å; M113-L117 HydrophobicContact CE-CB 4.26Å; P114-L117 HydrophobicContact CB-CG 4.45Å; P114-L117 HydrophobicContact CG-CD1 4.32Å; P114-L117 HydrophobicContact CG-CG 4.45Å; P114-L117 PolarHBondContact O-N 3.48Å; L117-R120 WeakPolarHBondContact O-CB 3.16Å; L117-R120 PolarHBondContact O-N 2.75Å; L117-L121 PolarHBondContact O-N 3.01Å; L117-F211 HydrophobicContact CD1-CE1 4.4Å; L117-F211 HydrophobicContact CD1-CZ 4.43Å; L117-F211 HydrophobicContact CD2-CD1 4.31Å; L117-F211 HydrophobicContact CD2-CE1 3.55Å; L117-F211 HydrophobicContact CD2-CZ 4Å; L117-F211 HydrophobicContact CG-CD1 4.33Å; L117-F211 HydrophobicContact CG-CE1 4.01Å; L117-F211 HydrophobicContact CG-CZ 4.49Å |
| 118 | L | 82.9 | Confident | 76.8 | Confident | 16 Ų | 16 | 34.4 Ų | 34.4 | 8% | 0.084 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66 | -42.1 | 174.4 | -71.7 | 166 | 0 | 0 | 0 | 112.1 | F107 M113 P114 V115 K116 R120 L121 Y122 W177 | F107-L118 HydrophobicContact CB-CD2 3.83Å; F107-L118 HydrophobicContact CD2-CD2 3.76Å; F107-L118 HydrophobicContact CG-CD2 3.93Å; M113-L118 HydrophobicContact CB-CD1 4.26Å; M113-L118 HydrophobicContact CB-CG 4.15Å; M113-L118 HydrophobicContact CE-CD2 4.41Å; P114-L118 PolarHBondContact O-N 2.93Å; V115-L118 PolarHBondContact O-N 2.61Å; K116-L118 VanDerWaalsContact C-N 3.3Å; K116-L118 PolarHBondContact O-N 3.29Å; L118-R120 VanDerWaalsContact C-N 3.25Å; L118-R120 PolarHBondContact O-N 3.04Å; L118-L121 HydrophobicContact CD2-CD2 4.46Å; L118-L121 WeakPolarHBondContact O-CB 3.4Å; L118-L121 PolarHBondContact O-N 3.46Å; L118-L121 VanDerWaalsContact O-N 3.14Å; L118-Y122 HydrophobicContact CD2-CE2 4.27Å; L118-Y122 VanDerWaalsContact O-CD2 3.24Å; L118-Y122 WeakPolarHBondContact O-CD2 3.28Å; L118-Y122 PolarHBondContact O-N 3.18Å; L118-W177 HydrophobicContact CB-CZ2 4.11Å |
| 119 | A | 81.5 | Confident | 77.5 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.6 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V115 K116 R123 W177 | V115-A119 WeakPolarHBondContact O-CB 3.44Å; V115-A119 PolarHBondContact O-N 3.18Å; K116-A119 PolarHBondContact O-N 3.24Å; A119-R123 WeakPolarHBondContact O-CB 3.26Å; A119-R123 WeakPolarHBondContact O-CD 3.18Å; A119-R123 WeakPolarHBondContact O-CG 3.21Å; A119-R123 PolarHBondContact O-N 2.9Å; A119-W177 HydrophobicContact CB-CH2 3.5Å; A119-W177 VanDerWaalsContact CB-CH2 3.5Å; A119-W177 HydrophobicContact CB-CZ2 3.94Å; A119-W177 HydrophobicContact CB-CZ3 4.38Å |
| 120 | R | 83.5 | Confident | 78.2 | Confident | 17 Ų | 17 | 24 Ų | 24 | 6% | 0.064 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.6 | -53 | 172.4 | -174.2 | -177 | -173.6 | 85.5 | 7.4 | 110.8 | L40 E47 D90 K116 L117 L118 Y122 R123 V124 | L40-R120 HydrophobicContact CD2-CG 4.33Å; E47-R120 IonicContact OE2-CZ 2.79Å; E47-R120 VanDerWaalsContact OE2-CZ 3.24Å; E47-R120 IonicContact OE2-NH1 3.67Å; E47-R120 PolarHBondContact OE2-NH1 2.89Å; E47-R120 IonicContact OE2-NH2 2.82Å; E47-R120 PolarHBondContact OE2-NH2 3.15Å; D90-R120 IonicContact OD1-CZ 2.65Å; D90-R120 IonicContact OD1-NE 3.59Å; D90-R120 PolarHBondContact OD1-NE 3.2Å; D90-R120 IonicContact OD1-NH2 2.91Å; D90-R120 PolarHBondContact OD1-NH2 3.16Å; D90-R120 IonicContact OD2-CZ 3.49Å; D90-R120 IonicContact OD2-NE 2.66Å; D90-R120 IonicContact OD2-NH2 3.34Å; D90-R120 PolarHBondContact OD2-NH2 2.84Å; K116-R120 PolarHBondContact O-N 3.38Å; L117-R120 WeakPolarHBondContact O-CB 3.16Å; L117-R120 PolarHBondContact O-N 2.75Å; L118-R120 VanDerWaalsContact C-N 3.25Å; L118-R120 PolarHBondContact O-N 3.04Å; R120-Y122 PolarHBondContact O-N 3.45Å; R120-R123 PolarHBondContact O-N 2.87Å; R120-V124 HydrophobicContact CG-CG2 4.15Å; R120-V124 WeakPolarHBondContact O-CB 3.31Å; R120-V124 WeakPolarHBondContact O-CG2 3.27Å; R120-V124 PolarHBondContact O-N 3.19Å |
| 121 | L | 85.9 | Confident | 78.8 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -53.5 | -52.7 | -178.4 | -178.8 | 66.8 | 0 | 0 | 0 | 112.4 | L36 L40 L94 A97 F102 F107 L117 L118 R123 V124 L125 | L36-L121 HydrophobicContact CD1-CD1 4.4Å; L40-L121 HydrophobicContact CD1-CB 4.14Å; L40-L121 HydrophobicContact CD1-CD1 4.44Å; L40-L121 HydrophobicContact CD2-CB 4.33Å; L94-L121 HydrophobicContact CD2-CD1 4.15Å; A97-L121 HydrophobicContact CB-CD1 3.85Å; A97-L121 HydrophobicContact CB-CD2 3.94Å; A97-L121 HydrophobicContact CB-CG 4.38Å; F102-L121 HydrophobicContact CE1-CG 4.47Å; F107-L121 HydrophobicContact CE2-CD2 4.14Å; F107-L121 HydrophobicContact CZ-CD2 4.17Å; L117-L121 PolarHBondContact O-N 3.01Å; L118-L121 HydrophobicContact CD2-CD2 4.46Å; L118-L121 WeakPolarHBondContact O-CB 3.4Å; L118-L121 PolarHBondContact O-N 3.46Å; L118-L121 VanDerWaalsContact O-N 3.14Å; L121-R123 PolarHBondContact O-N 2.95Å; L121-V124 PolarHBondContact O-N 2.94Å; L121-L125 PolarHBondContact O-N 3.38Å |
| 122 | Y | 86 | Confident | 79.4 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.7 | -33 | -178.1 | -73.7 | -73.5 | 0 | 0 | 0 | 113 | F102 L104 L118 R120 L125 V126 W177 | F102-Y122 HydrophobicContact CB-CE1 4.48Å; F102-Y122 HydrophobicContact CD1-CE1 4.2Å; F102-Y122 PolarHBondContact O-OH 3.42Å; L104-Y122 HydrophobicContact CD2-CE2 4.17Å; L104-Y122 WeakPolarHBondContact CD2-OH 3.43Å; L118-Y122 HydrophobicContact CD2-CE2 4.27Å; L118-Y122 VanDerWaalsContact O-CD2 3.24Å; L118-Y122 WeakPolarHBondContact O-CD2 3.28Å; L118-Y122 PolarHBondContact O-N 3.18Å; R120-Y122 PolarHBondContact O-N 3.45Å; Y122-L125 HydrophobicContact CD1-CD2 4.33Å; Y122-L125 WeakPolarHBondContact O-CB 3.44Å; Y122-L125 PolarHBondContact O-N 3Å; Y122-V126 WeakPolarHBondContact O-CG2 3.41Å; Y122-V126 PolarHBondContact O-N 2.83Å; Y122-V126 VanDerWaalsContact O-N 3.09Å; Y122-W177 HydrophobicContact CD1-CB 4.47Å; Y122-W177 HydrophobicContact CD2-CB 3.84Å; Y122-W177 AromaticContact CD2-CD1 3.73Å; Y122-W177 AromaticContact CD2-CD2 3.7Å; Y122-W177 HydrophobicContact CD2-CD2 3.7Å; Y122-W177 HydrophobicContact CD2-CE3 4.29Å; Y122-W177 AromaticContact CD2-CG 3.46Å; Y122-W177 HydrophobicContact CD2-CG 3.46Å; Y122-W177 VanDerWaalsContact CD2-CG 3.46Å; Y122-W177 HydrophobicContact CE1-CB 4.28Å; Y122-W177 HydrophobicContact CE2-CB 3.64Å; Y122-W177 AromaticContact CE2-CD1 3.3Å; Y122-W177 HydrophobicContact CE2-CD2 4.08Å; Y122-W177 AromaticContact CE2-CG 3.37Å; Y122-W177 HydrophobicContact CE2-CG 3.37Å; Y122-W177 AromaticContact CE2-NE1 3.94Å; Y122-W177 HydrophobicContact CG-CB 4.29Å; Y122-W177 HydrophobicContact CG-CD2 4.47Å; Y122-W177 HydrophobicContact CG-CG 4.29Å |
| 123 | R | 82.3 | Confident | 79.5 | Confident | 67 Ų | 67 | 19.7 Ų | 19.7 | 25% | 0.253 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -69.1 | -40.4 | 173.8 | -72.5 | 175 | -173.2 | 155.5 | 3.4 | 112 | A119 R120 L121 L125 V126 M127 F150 Y174 | A119-R123 WeakPolarHBondContact O-CB 3.26Å; A119-R123 WeakPolarHBondContact O-CD 3.18Å; A119-R123 WeakPolarHBondContact O-CG 3.21Å; A119-R123 PolarHBondContact O-N 2.9Å; R120-R123 PolarHBondContact O-N 2.87Å; L121-R123 PolarHBondContact O-N 2.95Å; R123-L125 VanDerWaalsContact C-N 3.3Å; R123-V126 PolarHBondContact O-N 3.4Å; R123-M127 WeakPolarHBondContact O-CB 3.32Å; R123-M127 PolarHBondContact O-N 3.4Å; R123-F150 HydrophobicContact CB-CD1 3.98Å; R123-F150 HydrophobicContact CB-CE1 3.67Å; R123-F150 HydrophobicContact CG-CD1 4.33Å; R123-F150 HydrophobicContact CG-CE1 4.13Å; R123-Y174 HydrophobicContact CG-CE2 4.06Å |
| 124 | V | 82.7 | Confident | 79.2 | Confident | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.024 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.9 | -37.7 | 175.2 | 176 | 0 | 0 | 0 | 0 | 110.2 | D90 L94 R120 L121 M127 N128 | D90-V124 HydrophobicContact CB-CG1 3.86Å; D90-V124 HydrophobicContact CB-CG2 4.35Å; L94-V124 HydrophobicContact CD1-CG1 3.6Å; L94-V124 HydrophobicContact CG-CG1 4.04Å; R120-V124 HydrophobicContact CG-CG2 4.15Å; R120-V124 WeakPolarHBondContact O-CB 3.31Å; R120-V124 WeakPolarHBondContact O-CG2 3.27Å; R120-V124 PolarHBondContact O-N 3.19Å; L121-V124 PolarHBondContact O-N 2.94Å; V124-M127 PolarHBondContact O-N 2.67Å; V124-N128 PolarHBondContact O-N 3.18Å |
| 125 | L | 85.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57 | -55.2 | 172.4 | 176.4 | 65.1 | 0 | 0 | 0 | 111.1 | L94 F102 L121 Y122 R123 M127 N128 T129 F252 | L94-L125 HydrophobicContact CD2-CB 3.86Å; L94-L125 HydrophobicContact CD2-CD1 4.12Å; F102-L125 HydrophobicContact CD1-CD2 4.06Å; F102-L125 HydrophobicContact CE1-CB 4.45Å; F102-L125 HydrophobicContact CE1-CD1 4.14Å; F102-L125 HydrophobicContact CE1-CD2 3.79Å; F102-L125 HydrophobicContact CE1-CG 4.35Å; F102-L125 HydrophobicContact CE2-CD1 4.1Å; F102-L125 HydrophobicContact CE2-CD2 4.35Å; F102-L125 HydrophobicContact CG-CD2 4.46Å; F102-L125 HydrophobicContact CZ-CD1 3.6Å; F102-L125 HydrophobicContact CZ-CD2 3.97Å; F102-L125 HydrophobicContact CZ-CG 4.28Å; L121-L125 PolarHBondContact O-N 3.38Å; Y122-L125 HydrophobicContact CD1-CD2 4.33Å; Y122-L125 WeakPolarHBondContact O-CB 3.44Å; Y122-L125 PolarHBondContact O-N 3Å; R123-L125 VanDerWaalsContact C-N 3.3Å; L125-M127 VanDerWaalsContact C-N 3.26Å; L125-M127 PolarHBondContact O-N 2.99Å; L125-N128 PolarHBondContact O-N 3.13Å; L125-T129 HydrophobicContact CD1-CG2 3.76Å; L125-T129 HydrophobicContact CG-CG2 4.38Å; L125-T129 WeakPolarHBondContact O-CG2 3.41Å; L125-T129 PolarHBondContact O-N 3.49Å; L125-T129 PolarHBondContact O-OG1 2.92Å; L125-F252 HydrophobicContact CD1-CZ 3.98Å |
| 126 | V | 83.3 | Confident | 78.4 | Confident | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.024 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.5 | -40.9 | 178.2 | 173 | 0 | 0 | 0 | 0 | 111.2 | Y122 R123 T129 S130 I152 G170 I171 Y174 | Y122-V126 WeakPolarHBondContact O-CG2 3.41Å; Y122-V126 PolarHBondContact O-N 2.83Å; Y122-V126 VanDerWaalsContact O-N 3.09Å; R123-V126 PolarHBondContact O-N 3.4Å; V126-T129 PolarHBondContact O-OG1 3.3Å; V126-S130 VanDerWaalsContact O-CB 3.23Å; V126-S130 WeakPolarHBondContact O-CB 3.46Å; V126-S130 PolarHBondContact O-N 3.18Å; V126-S130 VanDerWaalsContact O-N 3.16Å; V126-S130 PolarHBondContact O-OG 3.1Å; V126-I152 HydrophobicContact CG1-CG2 4.03Å; V126-G170 WeakPolarHBondContact CG2-O 3.31Å; V126-I171 HydrophobicContact CG1-CG1 4.34Å; V126-Y174 HydrophobicContact CG2-CG 4.48Å |
| 127 | M | 80.7 | Confident | 77.8 | Confident | 27 Ų | 27 | 26.6 Ų | 26.6 | 13% | 0.133 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.3 | -39.8 | 179.3 | -167.8 | -138.1 | -49.8 | 0 | 0 | 112.9 | R123 V124 L125 S130 R131 F140 I149 | R123-M127 WeakPolarHBondContact O-CB 3.32Å; R123-M127 PolarHBondContact O-N 3.4Å; V124-M127 PolarHBondContact O-N 2.67Å; L125-M127 VanDerWaalsContact C-N 3.26Å; L125-M127 PolarHBondContact O-N 2.99Å; M127-S130 PolarHBondContact O-OG 3.49Å; M127-R131 PolarHBondContact SD-NH2 2.97Å; M127-F140 HydrophobicContact CG-CE1 4.26Å; M127-I149 HydrophobicContact CE-CG2 4.04Å; M127-I149 WeakPolarHBondContact CE-O 3.25Å |
| 128 | N | 78.3 | Confident | 76.8 | Confident | 17 Ų | 17 | 29.2 Ų | 29.2 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -79.8 | -37.6 | -179.8 | -81.5 | -23.8 | 0 | 0 | 0 | 112.1 | L94 V124 L125 S130 R131 F132 F252 | L94-N128 HydrophobicContact CD1-CB 4.11Å; L94-N128 WeakPolarHBondContact CD1-ND2 3.41Å; V124-N128 PolarHBondContact O-N 3.18Å; L125-N128 PolarHBondContact O-N 3.13Å; N128-S130 VanDerWaalsContact C-N 3.31Å; N128-S130 PolarHBondContact O-N 3.44Å; N128-R131 PolarHBondContact O-N 2.62Å; N128-R131 PolarHBondContact OD1-NH1 3.3Å; N128-F132 WeakPolarHBondContact O-CE2 3.48Å; N128-F252 HydrophobicContact CB-CE1 4.22Å |
| 129 | T | 79 | Confident | 75.9 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.7 | -26.4 | 179.7 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | L125 V126 F132 M166 T167 | L125-T129 HydrophobicContact CD1-CG2 3.76Å; L125-T129 HydrophobicContact CG-CG2 4.38Å; L125-T129 WeakPolarHBondContact O-CG2 3.41Å; L125-T129 PolarHBondContact O-N 3.49Å; L125-T129 PolarHBondContact O-OG1 2.92Å; V126-T129 PolarHBondContact O-OG1 3.3Å; T129-F132 PolarHBondContact O-N 3.32Å; T129-M166 WeakPolarHBondContact CB-O 3.48Å; T129-T167 PolarHBondContact O-OG1 3.41Å |
| 130 | S | 75.8 | Confident | 75.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -75.3 | -20.9 | 176.8 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | V126 M127 N128 F132 S133 F140 I152 | V126-S130 VanDerWaalsContact O-CB 3.23Å; V126-S130 WeakPolarHBondContact O-CB 3.46Å; V126-S130 PolarHBondContact O-N 3.18Å; V126-S130 VanDerWaalsContact O-N 3.16Å; V126-S130 PolarHBondContact O-OG 3.1Å; M127-S130 PolarHBondContact O-OG 3.49Å; N128-S130 VanDerWaalsContact C-N 3.31Å; N128-S130 PolarHBondContact O-N 3.44Å; S130-F132 PolarHBondContact O-N 3.34Å; S130-S133 PolarHBondContact O-N 3.2Å; S130-S133 VanDerWaalsContact O-N 3.11Å; S130-F140 WeakPolarHBondContact OG-CZ 2.88Å; S130-I152 WeakPolarHBondContact OG-CD1 3.42Å |
| 131 | R | 72.4 | Confident | 73.9 | Confident | 86 Ų | 86 | 39 Ų | 39 | 33% | 0.325 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.9 | 170.8 | -69.6 | -176.2 | -178.4 | 142.1 | 9.5 | 112.7 | R87 M127 N128 S133 F140 | R87-R131 VanDerWaalsContact NH2-NH1 3.18Å; M127-R131 PolarHBondContact SD-NH2 2.97Å; N128-R131 PolarHBondContact O-N 2.62Å; N128-R131 PolarHBondContact OD1-NH1 3.3Å; R131-S133 VanDerWaalsContact C-N 3.34Å; R131-F140 HydrophobicContact CG-CD1 4.37Å; R131-F140 HydrophobicContact CG-CD2 4.41Å; R131-F140 HydrophobicContact CG-CE1 3.99Å; R131-F140 HydrophobicContact CG-CE2 4.02Å; R131-F140 HydrophobicContact CG-CZ 3.79Å |
| 132 | F | 71.4 | Confident | 72.6 | Confident | 62 Ų | 62 | 46.3 Ų | 46.3 | 27% | 0.272 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -4.8 | 176.5 | -52.4 | -62 | 0 | 0 | 0 | 113.7 | N128 T129 S130 N164 M166 V251 | N128-F132 WeakPolarHBondContact O-CE2 3.48Å; T129-F132 PolarHBondContact O-N 3.32Å; S130-F132 PolarHBondContact O-N 3.34Å; F132-N164 WeakPolarHBondContact CB-ND2 3.42Å; F132-N164 PolarHBondContact O-ND2 3.36Å; F132-M166 HydrophobicContact CB-CE 4.2Å; F132-M166 HydrophobicContact CD2-CE 4Å; F132-M166 HydrophobicContact CG-CE 4.1Å; F132-V251 HydrophobicContact CE2-CG1 3.53Å; F132-V251 HydrophobicContact CZ-CG1 3.53Å |
| 133 | S | 70.4 | Confident | 71.2 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | trans | -95.3 | 119.6 | 178 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | S130 R131 V135 L136 Q137 | S130-S133 PolarHBondContact O-N 3.2Å; S130-S133 VanDerWaalsContact O-N 3.11Å; R131-S133 VanDerWaalsContact C-N 3.34Å; S133-V135 PolarHBondContact O-N 2.98Å; S133-V135 VanDerWaalsContact O-N 3.15Å; S133-V135 PolarHBondContact OG-N 3.33Å; S133-L136 PolarHBondContact O-N 3.01Å; S133-L136 VanDerWaalsContact O-N 3.15Å; S133-Q137 PolarHBondContact O-N 3.35Å | ||
| 134 | S | 66.7 | Low | 69.7 | Low | 92 Ų | 92 | 49.7 Ų | 49.7 | 64% | 0.643 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.7 | 175.1 | 52 | 0 | 0 | 0 | 0 | 113.3 | ||
| 135 | V | 67.3 | Low | 67.9 | Low | 58 Ų | 58 | 56.8 Ų | 56.8 | 35% | 0.352 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -35.5 | 179.4 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | S133 P138 Q162 | S133-V135 PolarHBondContact O-N 2.98Å; S133-V135 VanDerWaalsContact O-N 3.15Å; S133-V135 PolarHBondContact OG-N 3.33Å; V135-P138 WeakPolarHBondContact O-CD 3.36Å; V135-Q162 HydrophobicContact CG2-CB 3.77Å; V135-Q162 VanDerWaalsContact CG2-O 3.28Å; V135-Q162 WeakPolarHBondContact CG2-O 3.41Å |
| 136 | L | 69.7 | Low | 66.1 | Low | 10 Ų | 10 | 65 Ų | 65 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -16.2 | -176.3 | -62.1 | 176.9 | 0 | 0 | 0 | 113 | S133 P138 L139 F140 I152 Y158 L163 T167 | S133-L136 PolarHBondContact O-N 3.01Å; S133-L136 VanDerWaalsContact O-N 3.15Å; L136-P138 VanDerWaalsContact C-N 3.31Å; L136-L139 HydrophobicContact CD2-CD1 4.01Å; L136-L139 WeakPolarHBondContact O-CB 3.25Å; L136-L139 PolarHBondContact O-N 3.34Å; L136-F140 WeakPolarHBondContact O-CD2 2.98Å; L136-I152 HydrophobicContact CD1-CD1 4.33Å; L136-Y158 HydrophobicContact CD1-CE1 4.46Å; L136-Y158 HydrophobicContact CD2-CD1 4.38Å; L136-Y158 HydrophobicContact CD2-CE1 3.99Å; L136-L163 HydrophobicContact CD1-CD2 3.82Å; L136-L163 HydrophobicContact CG-CD2 4.05Å; L136-T167 HydrophobicContact CD1-CG2 3.96Å |
| 137 | Q | 66.4 | Low | 64.3 | Low | 91 Ų | 91 | 71.5 Ų | 71.5 | 43% | 0.425 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -49.4 | -40 | 175.1 | -167.5 | 166.2 | -6.1 | 0 | 0 | 114.6 | S133 L139 F140 E141 | S133-Q137 PolarHBondContact O-N 3.35Å; Q137-L139 PolarHBondContact O-N 3.06Å; Q137-F140 WeakPolarHBondContact O-CB 3.31Å; Q137-F140 PolarHBondContact O-N 3.33Å; Q137-E141 PolarHBondContact O-N 3.39Å |
| 138 | P | 62.3 | Low | 62.9 | Low | 57 Ų | 57 | 75.7 Ų | 75.7 | 37% | 0.37 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.7 | -29.2 | 177.6 | -22.7 | 33.5 | 0 | 0 | 0 | 114.1 | V135 L136 F140 E141 Q142 | V135-P138 WeakPolarHBondContact O-CD 3.36Å; L136-P138 VanDerWaalsContact C-N 3.31Å; P138-F140 VanDerWaalsContact C-N 3.31Å; P138-F140 PolarHBondContact O-N 2.83Å; P138-E141 PolarHBondContact O-N 3.25Å; P138-Q142 WeakPolarHBondContact O-CG 3.39Å; P138-Q142 PolarHBondContact O-N 2.97Å; P138-Q142 VanDerWaalsContact O-N 3.13Å |
| 139 | L | 63.5 | Low | 61.7 | Low | 81 Ų | 81 | 77.3 Ų | 77.3 | 42% | 0.424 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.5 | -31 | 177.7 | -66.2 | 169.4 | 0 | 0 | 0 | 111.8 | L136 Q137 A143 I151 | L136-L139 HydrophobicContact CD2-CD1 4.01Å; L136-L139 WeakPolarHBondContact O-CB 3.25Å; L136-L139 PolarHBondContact O-N 3.34Å; Q137-L139 PolarHBondContact O-N 3.06Å; L139-A143 WeakPolarHBondContact O-CB 3.48Å; L139-A143 PolarHBondContact O-N 3.47Å; L139-I151 HydrophobicContact CB-CG2 4.27Å |
| 140 | F | 64.1 | Low | 60.7 | Low | 35 Ų | 35 | 82 Ų | 82 | 15% | 0.154 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -75 | -36.3 | 175.3 | -69.5 | -81.3 | 0 | 0 | 0 | 112.1 | M127 S130 R131 L136 Q137 P138 Q142 A143 I151 I152 | M127-F140 HydrophobicContact CG-CE1 4.26Å; S130-F140 WeakPolarHBondContact OG-CZ 2.88Å; R131-F140 HydrophobicContact CG-CD1 4.37Å; R131-F140 HydrophobicContact CG-CD2 4.41Å; R131-F140 HydrophobicContact CG-CE1 3.99Å; R131-F140 HydrophobicContact CG-CE2 4.02Å; R131-F140 HydrophobicContact CG-CZ 3.79Å; L136-F140 WeakPolarHBondContact O-CD2 2.98Å; Q137-F140 WeakPolarHBondContact O-CB 3.31Å; Q137-F140 PolarHBondContact O-N 3.33Å; P138-F140 VanDerWaalsContact C-N 3.31Å; P138-F140 PolarHBondContact O-N 2.83Å; F140-Q142 VanDerWaalsContact C-N 3.35Å; F140-A143 PolarHBondContact O-N 3.49Å; F140-I151 HydrophobicContact CD1-CD1 3.6Å; F140-I151 HydrophobicContact CE1-CB 4.42Å; F140-I151 HydrophobicContact CE1-CD1 3.9Å; F140-I152 HydrophobicContact CE2-CD1 3.6Å; F140-I152 HydrophobicContact CZ-CD1 3.48Å; F140-I152 VanDerWaalsContact CZ-CD1 3.48Å; F140-I152 HydrophobicContact CZ-CG1 4.41Å |
| 141 | E | 58.8 | Low | 60 | Low | 123 Ų | 123 | 84.9 Ų | 84.9 | 58% | 0.575 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.6 | -34.5 | 177.3 | -68.1 | 175 | -178.6 | 0 | 0 | 112.1 | Q137 P138 T144 | Q137-E141 PolarHBondContact O-N 3.39Å; P138-E141 PolarHBondContact O-N 3.25Å; E141-T144 WeakPolarHBondContact O-CG2 3.24Å; E141-T144 PolarHBondContact O-OG1 2.98Å |
| 142 | Q | 58.8 | Low | 59.9 | Low | 155 Ų | 155 | 81.7 Ų | 81.7 | 72% | 0.724 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -77.1 | -21.8 | 176.5 | -69.6 | 175.7 | 11.6 | 0 | 0 | 114 | P138 F140 T144 | P138-Q142 WeakPolarHBondContact O-CG 3.39Å; P138-Q142 PolarHBondContact O-N 2.97Å; P138-Q142 VanDerWaalsContact O-N 3.13Å; F140-Q142 VanDerWaalsContact C-N 3.35Å; Q142-T144 VanDerWaalsContact C-N 3.31Å; Q142-T144 PolarHBondContact O-N 3.18Å |
| 143 | A | 57 | Low | 60.1 | Low | 32 Ų | 32 | 82.8 Ų | 82.8 | 26% | 0.264 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 9.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L139 F140 N145 K146 I151 | L139-A143 WeakPolarHBondContact O-CB 3.48Å; L139-A143 PolarHBondContact O-N 3.47Å; F140-A143 PolarHBondContact O-N 3.49Å; A143-N145 PolarHBondContact O-N 3.14Å; A143-K146 PolarHBondContact O-N 3Å; A143-I151 HydrophobicContact CB-CD1 3.76Å; A143-I151 HydrophobicContact CB-CG1 4.06Å; A143-I151 HydrophobicContact CB-CG2 4.22Å |
| 144 | T | 48.9 | Very low | 60.3 | Low | 108 Ų | 108 | 83.5 Ų | 83.5 | 66% | 0.663 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -5.3 | -170.1 | 41 | 0 | 0 | 0 | 0 | 116.6 | E141 Q142 | E141-T144 WeakPolarHBondContact O-CG2 3.24Å; E141-T144 PolarHBondContact O-OG1 2.98Å; Q142-T144 VanDerWaalsContact C-N 3.31Å; Q142-T144 PolarHBondContact O-N 3.18Å |
| 145 | N | 46.7 | Very low | 60.8 | Low | 153 Ų | 153 | 80 Ų | 80 | 82% | 0.818 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.1 | 12.6 | -174.2 | -78 | -31.6 | 0 | 0 | 0 | 116.7 | A143 | A143-N145 PolarHBondContact O-N 3.14Š|
| 146 | K | 45.8 | Very low | 61.2 | Low | 173 Ų | 173 | 78 Ų | 78 | 75% | 0.752 | 40% | 0.4 | S | S | * | . | trans | -136.2 | 121.6 | 174.4 | -70.7 | -174.9 | 179.3 | 178.3 | 0 | 111.8 | A143 N148 | A143-K146 PolarHBondContact O-N 3Å; K146-N148 PolarHBondContact O-N 3.02Å | ||
| 147 | E | 46.4 | Very low | 61.2 | Low | 141 Ų | 141 | 88.1 Ų | 88.1 | 66% | 0.659 | 44% | 0.439 | S | S | * | . | trans | -68.5 | 46.1 | -178.2 | -59.6 | -165 | 117 | 0 | 0 | 114.2 | K84 | K84-E147 IonicContact NZ-OE1 3.69Å; K84-E147 PolarHBondContact NZ-OE1 3.33Å | ||
| 148 | N | 50.7 | Low | 61.5 | Low | 115 Ų | 115 | 85.3 Ų | 85.3 | 62% | 0.615 | 43% | 0.425 | S | S | * | . | trans | -93.6 | 114.5 | 172.5 | -74.7 | -11.3 | 0 | 0 | 0 | 108.9 | K146 F150 | K146-N148 PolarHBondContact O-N 3.02Å; N148-F150 PolarHBondContact O-N 3.23Å | ||
| 149 | I | 53.7 | Low | 62.1 | Low | 51 Ų | 51 | 86.3 Ų | 86.3 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -63.7 | -2.6 | 177.7 | -68 | 166.5 | 0 | 0 | 0 | 112.3 | E47 M127 | E47-I149 HydrophobicContact CG-CD1 3.87Å; E47-I149 WeakPolarHBondContact OE1-CD1 3.44Å; E47-I149 WeakPolarHBondContact OE2-CD1 3.4Å; M127-I149 HydrophobicContact CE-CG2 4.04Å; M127-I149 WeakPolarHBondContact CE-O 3.25Å |
| 150 | F | 58.5 | Low | 62.8 | Low | 97 Ų | 97 | 82.7 Ų | 82.7 | 43% | 0.425 | 41% | 0.41 | S | S | . | . | trans | -131.6 | 83.4 | -174.6 | -50.3 | -68.8 | 0 | 0 | 0 | 109.8 | R123 N148 | R123-F150 HydrophobicContact CB-CD1 3.98Å; R123-F150 HydrophobicContact CB-CE1 3.67Å; R123-F150 HydrophobicContact CG-CD1 4.33Å; R123-F150 HydrophobicContact CG-CE1 4.13Å; N148-F150 PolarHBondContact O-N 3.23Å | ||
| 151 | I | 61.3 | Low | 63.1 | Low | 62 Ų | 62 | 85.7 Ų | 85.7 | 32% | 0.318 | 44% | 0.436 | S | S | . | . | trans | -78.4 | -30.5 | 176.7 | -62.9 | 167.6 | 0 | 0 | 0 | 110.6 | L139 F140 A143 | L139-I151 HydrophobicContact CB-CG2 4.27Å; F140-I151 HydrophobicContact CD1-CD1 3.6Å; F140-I151 HydrophobicContact CE1-CB 4.42Å; F140-I151 HydrophobicContact CE1-CD1 3.9Å; A143-I151 HydrophobicContact CB-CD1 3.76Å; A143-I151 HydrophobicContact CB-CG1 4.06Å; A143-I151 HydrophobicContact CB-CG2 4.22Å | ||
| 152 | I | 70.3 | Confident | 63.8 | Low | 19 Ų | 19 | 85.2 Ų | 85.2 | 10% | 0.097 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -109.6 | 129.7 | -173.2 | -68.9 | 164.9 | 0 | 0 | 0 | 110.1 | V126 S130 L136 F140 P154 Y158 | V126-I152 HydrophobicContact CG1-CG2 4.03Å; S130-I152 WeakPolarHBondContact OG-CD1 3.42Å; L136-I152 HydrophobicContact CD1-CD1 4.33Å; F140-I152 HydrophobicContact CE2-CD1 3.6Å; F140-I152 HydrophobicContact CZ-CD1 3.48Å; F140-I152 VanDerWaalsContact CZ-CD1 3.48Å; F140-I152 HydrophobicContact CZ-CG1 4.41Å; I152-P154 WeakPolarHBondContact O-CD 3.48Å; I152-Y158 VanDerWaalsContact CG2-OH 3.27Å; I152-Y158 WeakPolarHBondContact CG2-OH 3.13Å |
| 153 | N | 74.7 | Confident | 64.6 | Low | 85 Ų | 85 | 78.4 Ų | 78.4 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | trans | -88 | 108.4 | 171.9 | -179.1 | 9.7 | 0 | 0 | 0 | 109.5 | Y155 G156 Y158 | N153-Y155 PolarHBondContact O-N 3.02Å; N153-Y155 WeakPolarHBondContact OD1-CD2 3.37Å; N153-Y155 PolarHBondContact OD1-N 3.24Å; N153-G156 PolarHBondContact O-N 3.37Å; N153-Y158 PolarHBondContact O-OH 3.37Å | ||
| 154 | P | 75.5 | Confident | 65.8 | Low | 15 Ų | 15 | 78.1 Ų | 78.1 | 10% | 0.097 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -13.5 | -179.4 | 25.4 | -34 | 0 | 0 | 0 | 114.1 | I152 Y174 H175 | I152-P154 WeakPolarHBondContact O-CD 3.48Å; P154-Y174 HydrophobicContact CB-CD1 3.63Å; P154-Y174 HydrophobicContact CB-CE1 3.71Å; P154-Y174 HydrophobicContact CB-CG 4.11Å; P154-Y174 HydrophobicContact CG-CD1 3.91Å; P154-Y174 HydrophobicContact CG-CD2 4.41Å; P154-Y174 HydrophobicContact CG-CE1 3.47Å; P154-Y174 VanDerWaalsContact CG-CE1 3.47Å; P154-Y174 HydrophobicContact CG-CE2 4.03Å; P154-Y174 HydrophobicContact CG-CG 4.38Å; P154-H175 PolarHBondContact O-CE1 3.47Å; P154-H175 PolarHBondContact O-NE2 3.22Å |
| 155 | Y | 76.9 | Confident | 67.2 | Low | 19 Ų | 19 | 74.5 Ų | 74.5 | 8% | 0.075 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 6 | 174.1 | -56.6 | -83.1 | 0 | 0 | 0 | 113.9 | N153 Y174 H175 C178 R224 E227 | N153-Y155 PolarHBondContact O-N 3.02Å; N153-Y155 WeakPolarHBondContact OD1-CD2 3.37Å; N153-Y155 PolarHBondContact OD1-N 3.24Å; Y155-Y174 HydrophobicContact CE1-CE1 4.23Å; Y155-Y174 AromaticContact CE2-CE1 3.83Å; Y155-Y174 HydrophobicContact CE2-CE1 3.83Å; Y155-Y174 AromaticContact CE2-CZ 3.99Å; Y155-Y174 VanDerWaalsContact CE2-OH 3.29Å; Y155-Y174 WeakPolarHBondContact CE2-OH 3.46Å; Y155-Y174 AromaticContact CZ-CE1 3.62Å; Y155-Y174 PolarHBondContact OH-OH 3.37Å; Y155-H175 AromaticContact CD1-CE1 3.76Å; Y155-H175 AromaticContact CE1-CE1 3.94Å; Y155-C178 PolarHBondContact OH-SG 3.48Å; Y155-R224 HydrophobicContact CD1-CB 4.42Å; Y155-R224 HydrophobicContact CE1-CB 3.87Å; Y155-E227 HydrophobicContact CD1-CB 3.88Å |
| 156 | G | 74.3 | Confident | 68.8 | Low | 17 Ų | 17 | 67.3 Ų | 67.3 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -65 | 161.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N153 Y158 Q231 | N153-G156 PolarHBondContact O-N 3.37Å; G156-Y158 WeakPolarHBondContact O-CD2 3.4Å; G156-Y158 VanDerWaalsContact O-CE2 3.24Å; G156-Y158 WeakPolarHBondContact O-CE2 3.39Å; G156-Q231 PolarHBondContact O-NE2 2.86Å; G156-Q231 VanDerWaalsContact O-NE2 3.11Å |
| 157 | Y | 70.8 | Confident | 70.5 | Confident | 222 Ų | 222 | 59.1 Ų | 59.1 | 87% | 0.871 | 30% | 0.3 | S | S | * | . | trans | -79.2 | 126 | 169 | -69.8 | -82.2 | 0 | 0 | 0 | 109.4 | ||||
| 158 | Y | 73.4 | Confident | 72.3 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 13% | 0.125 | 27% | 0.27 | C | S | . | . | trans | -126.7 | 141.1 | -178.8 | -61.3 | -74.5 | 0 | 0 | 0 | 111.2 | L136 I152 N153 G156 W160 L163 I171 | L136-Y158 HydrophobicContact CD1-CE1 4.46Å; L136-Y158 HydrophobicContact CD2-CD1 4.38Å; L136-Y158 HydrophobicContact CD2-CE1 3.99Å; I152-Y158 VanDerWaalsContact CG2-OH 3.27Å; I152-Y158 WeakPolarHBondContact CG2-OH 3.13Å; N153-Y158 PolarHBondContact O-OH 3.37Å; G156-Y158 WeakPolarHBondContact O-CD2 3.4Å; G156-Y158 VanDerWaalsContact O-CE2 3.24Å; G156-Y158 WeakPolarHBondContact O-CE2 3.39Å; Y158-W160 PolarHBondContact O-N 3.08Å; Y158-L163 HydrophobicContact CD1-CD1 4.32Å; Y158-L163 HydrophobicContact CG-CD1 4.1Å; Y158-I171 HydrophobicContact CD2-CD1 4.15Å; Y158-I171 HydrophobicContact CE2-CD1 4.03Å | ||
| 159 | T | 73 | Confident | 74 | Confident | 78 Ų | 78 | 47 Ų | 47 | 48% | 0.479 | 24% | 0.24 | S | C | . | . | trans | -82 | 94.7 | 164.9 | 43.9 | 0 | 0 | 0 | 0 | 109 | S161 Q162 | T159-S161 PolarHBondContact O-N 2.83Å; T159-S161 VanDerWaalsContact O-N 3.13Å; T159-Q162 PolarHBondContact O-N 3.25Å; T159-Q162 PolarHBondContact OG1-OE1 3.18Å | ||
| 160 | W | 78.5 | Confident | 75.5 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -52.1 | -36.2 | -172.8 | -64.7 | 103.3 | 0 | 0 | 0 | 114.4 | Y158 Q162 L163 I168 I171 Q231 E234 I235 L238 L242 | Y158-W160 PolarHBondContact O-N 3.08Å; W160-Q162 VanDerWaalsContact C-N 3.25Å; W160-Q162 PolarHBondContact O-N 2.96Å; W160-L163 HydrophobicContact CE3-CD1 4.07Å; W160-L163 HydrophobicContact CZ3-CD1 4.37Å; W160-L163 PolarHBondContact O-N 3.41Å; W160-I168 HydrophobicContact CE3-CB 4.47Å; W160-I168 HydrophobicContact CE3-CG1 4.16Å; W160-I168 HydrophobicContact CE3-CG2 3.92Å; W160-I168 HydrophobicContact CZ3-CG2 4Å; W160-I168 WeakPolarHBondContact O-CD1 3.29Å; W160-I171 HydrophobicContact CH2-CB 4.33Å; W160-I171 HydrophobicContact CH2-CG2 3.71Å; W160-I171 HydrophobicContact CZ3-CB 4.36Å; W160-I171 HydrophobicContact CZ3-CD1 4.49Å; W160-I171 HydrophobicContact CZ3-CG2 4.23Å; W160-Q231 VanDerWaalsContact CZ2-OE1 3.23Å; W160-E234 PolarHBondContact NE1-OE2 3.39Å; W160-E234 VanDerWaalsContact NE1-OE2 3.14Å; W160-I235 HydrophobicContact CD2-CG1 4.03Å; W160-I235 HydrophobicContact CE3-CD1 4.47Å; W160-I235 HydrophobicContact CE3-CG1 4.09Å; W160-I235 HydrophobicContact CH2-CD1 3.44Å; W160-I235 VanDerWaalsContact CH2-CD1 3.44Å; W160-I235 HydrophobicContact CH2-CG1 3.64Å; W160-I235 HydrophobicContact CZ2-CD1 3.8Å; W160-I235 HydrophobicContact CZ2-CG1 3.53Å; W160-I235 HydrophobicContact CZ3-CD1 3.81Å; W160-I235 HydrophobicContact CZ3-CG1 3.92Å; W160-L238 HydrophobicContact CB-CD1 4.27Å; W160-L238 HydrophobicContact CG-CD1 4.3Å; W160-L242 HydrophobicContact CB-CD1 3.8Å; W160-L242 HydrophobicContact CB-CD2 3.65Å; W160-L242 HydrophobicContact CB-CG 4.37Å; W160-L242 HydrophobicContact CG-CD1 4.36Å |
| 161 | S | 71 | Confident | 76.8 | Confident | 98 Ų | 98 | 40 Ų | 40 | 69% | 0.685 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -66.8 | -20.6 | -179.6 | 56.1 | 0 | 0 | 0 | 0 | 114.9 | T159 | T159-S161 PolarHBondContact O-N 2.83Å; T159-S161 VanDerWaalsContact O-N 3.13Å |
| 162 | Q | 73.7 | Confident | 78 | Confident | 113 Ų | 113 | 37.1 Ų | 37.1 | 53% | 0.528 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -97.6 | -9.1 | -179.4 | -55.4 | -177.6 | -8.1 | 0 | 0 | 112.7 | V135 T159 W160 | V135-Q162 HydrophobicContact CG2-CB 3.77Å; V135-Q162 VanDerWaalsContact CG2-O 3.28Å; V135-Q162 WeakPolarHBondContact CG2-O 3.41Å; T159-Q162 PolarHBondContact O-N 3.25Å; T159-Q162 PolarHBondContact OG1-OE1 3.18Å; W160-Q162 VanDerWaalsContact C-N 3.25Å; W160-Q162 PolarHBondContact O-N 2.96Å |
| 163 | L | 76.3 | Confident | 78.8 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 7% | 0.068 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -80.4 | 153.1 | -179.9 | -70.3 | 178.6 | 0 | 0 | 0 | 111.3 | L136 Y158 W160 T167 I168 I171 | L136-L163 HydrophobicContact CD1-CD2 3.82Å; L136-L163 HydrophobicContact CG-CD2 4.05Å; Y158-L163 HydrophobicContact CD1-CD1 4.32Å; Y158-L163 HydrophobicContact CG-CD1 4.1Å; W160-L163 HydrophobicContact CE3-CD1 4.07Å; W160-L163 HydrophobicContact CZ3-CD1 4.37Å; W160-L163 PolarHBondContact O-N 3.41Å; L163-T167 HydrophobicContact CD2-CG2 4.4Å; L163-I168 HydrophobicContact CB-CD1 4.29Å; L163-I168 HydrophobicContact CB-CG1 3.78Å; L163-I168 HydrophobicContact CD1-CG1 4.43Å; L163-I171 HydrophobicContact CD1-CD1 4.22Å |
| 164 | N | 80.5 | Confident | 79.4 | Confident | 25 Ų | 25 | 32.7 Ų | 32.7 | 13% | 0.134 | 17% | 0.17 | C | C | . | . | trans | -68.6 | 137.2 | 172.9 | -176.3 | -43.5 | 0 | 0 | 0 | 109.1 | F132 M166 T167 I168 | F132-N164 WeakPolarHBondContact CB-ND2 3.42Å; F132-N164 PolarHBondContact O-ND2 3.36Å; N164-M166 PolarHBondContact O-N 2.96Å; N164-M166 PolarHBondContact OD1-N 3.44Å; N164-T167 WeakPolarHBondContact O-CA 3.35Å; N164-T167 WeakPolarHBondContact O-CB 3.38Å; N164-T167 PolarHBondContact O-N 3Å; N164-I168 PolarHBondContact O-N 3.44Å; N164-I168 VanDerWaalsContact O-N 3.08Å | ||
| 165 | P | 78.6 | Confident | 80.1 | Confident | 33 Ų | 33 | 32 Ų | 32 | 21% | 0.214 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -43.5 | -36.9 | 175.1 | -34.4 | 36.6 | 0 | 0 | 0 | 115.4 | Y169 N243 A245 | P165-Y169 PolarHBondContact O-N 3.03Å; P165-N243 WeakPolarHBondContact CA-O 3.43Å; P165-N243 WeakPolarHBondContact CB-O 3.42Å; P165-N243 WeakPolarHBondContact CG-O 3.36Å; P165-A245 HydrophobicContact CB-CB 3.73Å; P165-A245 PolarHBondContact O-N 3.36Å |
| 166 | M | 81.4 | Confident | 80.6 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -75.1 | -32 | 177.9 | -65.3 | -176.1 | -75.1 | 0 | 0 | 113.2 | T129 F132 N164 G170 V251 | T129-M166 WeakPolarHBondContact CB-O 3.48Å; F132-M166 HydrophobicContact CB-CE 4.2Å; F132-M166 HydrophobicContact CD2-CE 4Å; F132-M166 HydrophobicContact CG-CE 4.1Å; N164-M166 PolarHBondContact O-N 2.96Å; N164-M166 PolarHBondContact OD1-N 3.44Å; M166-G170 PolarHBondContact O-N 3.33Å; M166-V251 HydrophobicContact SD-CG1 4.37Å; M166-V251 HydrophobicContact SD-CG2 4.3Å |
| 167 | T | 81.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.6 | -40.8 | 174.2 | -46.2 | 0 | 0 | 0 | 0 | 110.3 | T129 L136 L163 N164 Y169 G170 I171 | T129-T167 PolarHBondContact O-OG1 3.41Å; L136-T167 HydrophobicContact CD1-CG2 3.96Å; L163-T167 HydrophobicContact CD2-CG2 4.4Å; N164-T167 WeakPolarHBondContact O-CA 3.35Å; N164-T167 WeakPolarHBondContact O-CB 3.38Å; N164-T167 PolarHBondContact O-N 3Å; T167-Y169 VanDerWaalsContact C-N 3.33Å; T167-Y169 PolarHBondContact O-N 3.36Å; T167-G170 PolarHBondContact O-N 3.03Å; T167-I171 HydrophobicContact CG2-CD1 4.08Å; T167-I171 WeakPolarHBondContact O-CG1 3.41Å; T167-I171 PolarHBondContact O-N 3.5Å |
| 168 | I | 83.9 | Confident | 82 | Confident | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.015 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.3 | -47.1 | 174.9 | -57.3 | 174.7 | 0 | 0 | 0 | 109.9 | W160 L163 N164 G170 I171 M172 L242 I244 | W160-I168 HydrophobicContact CE3-CB 4.47Å; W160-I168 HydrophobicContact CE3-CG1 4.16Å; W160-I168 HydrophobicContact CE3-CG2 3.92Å; W160-I168 HydrophobicContact CZ3-CG2 4Å; W160-I168 WeakPolarHBondContact O-CD1 3.29Å; L163-I168 HydrophobicContact CB-CD1 4.29Å; L163-I168 HydrophobicContact CB-CG1 3.78Å; L163-I168 HydrophobicContact CD1-CG1 4.43Å; N164-I168 PolarHBondContact O-N 3.44Å; N164-I168 VanDerWaalsContact O-N 3.08Å; I168-G170 PolarHBondContact O-N 3.13Å; I168-I171 PolarHBondContact O-N 3.4Å; I168-M172 VanDerWaalsContact O-CB 3.26Å; I168-M172 WeakPolarHBondContact O-CB 3.49Å; I168-M172 PolarHBondContact O-N 3.19Å; I168-L242 HydrophobicContact CD1-CD2 4.15Å; I168-I244 HydrophobicContact CG2-CD1 3.79Å; I168-I244 HydrophobicContact CG2-CG1 3.83Å |
| 169 | Y | 85.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.5 | -48.3 | 174.8 | -179.5 | -94.9 | 0 | 0 | 0 | 112.2 | K101 F102 P165 T167 I171 M172 S173 I244 A245 R246 P247 L290 E337 | K101-Y169 PolarHBondContact O-OH 2.97Å; F102-Y169 AromaticContact CD2-CE1 3.96Å; F102-Y169 HydrophobicContact CD2-CE1 3.96Å; F102-Y169 HydrophobicContact CE2-CE1 4.41Å; P165-Y169 PolarHBondContact O-N 3.03Å; T167-Y169 VanDerWaalsContact C-N 3.33Å; T167-Y169 PolarHBondContact O-N 3.36Å; Y169-I171 VanDerWaalsContact C-N 3.35Å; Y169-I171 PolarHBondContact O-N 3.11Å; Y169-M172 HydrophobicContact CD2-CE 3.87Å; Y169-M172 HydrophobicContact CE2-CE 4.12Å; Y169-M172 PolarHBondContact O-N 2.91Å; Y169-S173 WeakPolarHBondContact CE1-OG 3.31Å; Y169-S173 WeakPolarHBondContact O-CB 3.37Å; Y169-S173 PolarHBondContact O-N 3.2Å; Y169-S173 PolarHBondContact O-OG 3.26Å; Y169-S173 VanDerWaalsContact O-OG 3.08Å; Y169-I244 HydrophobicContact CD2-CG2 4.23Å; Y169-A245 WeakPolarHBondContact CB-O 3.14Å; Y169-R246 HydrophobicContact CD2-CB 4.43Å; Y169-R246 HydrophobicContact CE1-CG 4.18Å; Y169-R246 HydrophobicContact CE2-CB 4.17Å; Y169-R246 HydrophobicContact CE2-CG 4.07Å; Y169-P247 VanDerWaalsContact CD1-CD 3.41Å; Y169-P247 HydrophobicContact CD1-CG 4.25Å; Y169-P247 HydrophobicContact CE1-CG 4.3Å; Y169-L290 HydrophobicContact CD2-CD1 3.97Å; Y169-L290 HydrophobicContact CE2-CD1 3.98Å; Y169-E337 HydrophobicContact CE2-CG 4.24Å; Y169-E337 PolarHBondContact OH-OE1 3.27Å |
| 170 | G | 84.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V126 M166 T167 I168 Y174 | V126-G170 WeakPolarHBondContact CG2-O 3.31Å; M166-G170 PolarHBondContact O-N 3.33Å; T167-G170 PolarHBondContact O-N 3.03Å; I168-G170 PolarHBondContact O-N 3.13Å; G170-Y174 PolarHBondContact O-N 2.76Å |
| 171 | I | 86.2 | Confident | 83.3 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -70.9 | -42.1 | 176.8 | -62.7 | 168.8 | 0 | 0 | 0 | 110.7 | V126 Y158 W160 L163 T167 I168 Y169 Y174 H175 | V126-I171 HydrophobicContact CG1-CG1 4.34Å; Y158-I171 HydrophobicContact CD2-CD1 4.15Å; Y158-I171 HydrophobicContact CE2-CD1 4.03Å; W160-I171 HydrophobicContact CH2-CB 4.33Å; W160-I171 HydrophobicContact CH2-CG2 3.71Å; W160-I171 HydrophobicContact CZ3-CB 4.36Å; W160-I171 HydrophobicContact CZ3-CD1 4.49Å; W160-I171 HydrophobicContact CZ3-CG2 4.23Å; L163-I171 HydrophobicContact CD1-CD1 4.22Å; T167-I171 HydrophobicContact CG2-CD1 4.08Å; T167-I171 WeakPolarHBondContact O-CG1 3.41Å; T167-I171 PolarHBondContact O-N 3.5Å; I168-I171 PolarHBondContact O-N 3.4Å; Y169-I171 VanDerWaalsContact C-N 3.35Å; Y169-I171 PolarHBondContact O-N 3.11Å; I171-Y174 WeakPolarHBondContact O-CB 3.2Å; I171-Y174 PolarHBondContact O-N 2.76Å; I171-H175 PolarHBondContact O-CD2 3.25Å; I171-H175 PolarHBondContact O-N 3.06Å; I171-H175 VanDerWaalsContact O-N 3.13Å |
| 172 | M | 87.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.8 | -50.9 | 176.3 | -176.6 | -170.4 | 76.6 | 0 | 0 | 111.4 | I168 Y169 Y174 H175 I176 L232 I235 I244 L295 L299 | I168-M172 VanDerWaalsContact O-CB 3.26Å; I168-M172 WeakPolarHBondContact O-CB 3.49Å; I168-M172 PolarHBondContact O-N 3.19Å; Y169-M172 HydrophobicContact CD2-CE 3.87Å; Y169-M172 HydrophobicContact CE2-CE 4.12Å; Y169-M172 PolarHBondContact O-N 2.91Å; M172-Y174 VanDerWaalsContact C-N 3.28Å; M172-Y174 PolarHBondContact O-N 3.26Å; M172-H175 PolarHBondContact O-N 2.9Å; M172-H175 VanDerWaalsContact O-N 3.16Å; M172-I176 HydrophobicContact CE-CD1 4.3Å; M172-I176 HydrophobicContact CG-CD1 3.9Å; M172-I176 HydrophobicContact CG-CG1 4.49Å; M172-I176 WeakPolarHBondContact O-CG1 3.47Å; M172-I176 PolarHBondContact O-N 3.01Å; M172-I176 HydrophobicContact SD-CD1 4.48Å; M172-L232 HydrophobicContact CG-CD2 4.24Å; M172-I235 HydrophobicContact CB-CD1 4.17Å; M172-I235 HydrophobicContact CG-CD1 4.38Å; M172-I244 HydrophobicContact SD-CD1 4.22Å; M172-L295 HydrophobicContact CE-CD2 3.93Å; M172-L295 HydrophobicContact SD-CD2 3.82Å; M172-L299 HydrophobicContact CG-CD2 4.28Å; M172-L299 HydrophobicContact SD-CD2 4.39Å |
| 173 | S | 85.7 | Confident | 84.1 | Confident | 6 Ų | 6 | 7.6 Ų | 7.6 | 4% | 0.042 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61 | -35.6 | 179 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | Y169 W177 | Y169-S173 WeakPolarHBondContact CE1-OG 3.31Å; Y169-S173 WeakPolarHBondContact O-CB 3.37Å; Y169-S173 PolarHBondContact O-N 3.2Å; Y169-S173 PolarHBondContact O-OG 3.26Å; Y169-S173 VanDerWaalsContact O-OG 3.08Å; S173-W177 WeakPolarHBondContact O-CB 3.45Å; S173-W177 PolarHBondContact O-N 3.33Å |
| 174 | Y | 88 | Confident | 84.1 | Confident | 6 Ų | 6 | 8.7 Ų | 8.7 | 2% | 0.024 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 174.2 | 175.6 | -87.6 | 0 | 0 | 0 | 112.1 | R123 V126 P154 Y155 G170 I171 M172 W177 C178 | R123-Y174 HydrophobicContact CG-CE2 4.06Å; V126-Y174 HydrophobicContact CG2-CG 4.48Å; P154-Y174 HydrophobicContact CB-CD1 3.63Å; P154-Y174 HydrophobicContact CB-CE1 3.71Å; P154-Y174 HydrophobicContact CB-CG 4.11Å; P154-Y174 HydrophobicContact CG-CD1 3.91Å; P154-Y174 HydrophobicContact CG-CD2 4.41Å; P154-Y174 HydrophobicContact CG-CE1 3.47Å; P154-Y174 VanDerWaalsContact CG-CE1 3.47Å; P154-Y174 HydrophobicContact CG-CE2 4.03Å; P154-Y174 HydrophobicContact CG-CG 4.38Å; Y155-Y174 HydrophobicContact CE1-CE1 4.23Å; Y155-Y174 AromaticContact CE2-CE1 3.83Å; Y155-Y174 HydrophobicContact CE2-CE1 3.83Å; Y155-Y174 AromaticContact CE2-CZ 3.99Å; Y155-Y174 VanDerWaalsContact CE2-OH 3.29Å; Y155-Y174 WeakPolarHBondContact CE2-OH 3.46Å; Y155-Y174 AromaticContact CZ-CE1 3.62Å; Y155-Y174 PolarHBondContact OH-OH 3.37Å; G170-Y174 PolarHBondContact O-N 2.76Å; I171-Y174 WeakPolarHBondContact O-CB 3.2Å; I171-Y174 PolarHBondContact O-N 2.76Å; M172-Y174 VanDerWaalsContact C-N 3.28Å; M172-Y174 PolarHBondContact O-N 3.26Å; Y174-W177 HydrophobicContact CE2-CE3 4.42Å; Y174-W177 HydrophobicContact CE2-CZ3 4.22Å; Y174-W177 PolarHBondContact O-N 2.96Å; Y174-C178 VanDerWaalsContact CE1-SG 3.58Å; Y174-C178 PolarHBondContact O-N 3.16Å; Y174-C178 PolarHBondContact O-SG 3.4Å |
| 175 | H | 89.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -71.6 | -35.7 | 179.5 | -70.5 | -53.4 | 0 | 0 | 0 | 112.7 | P154 Y155 I171 M172 C178 L179 S228 L232 | P154-H175 PolarHBondContact O-CE1 3.47Å; P154-H175 PolarHBondContact O-NE2 3.22Å; Y155-H175 AromaticContact CD1-CE1 3.76Å; Y155-H175 AromaticContact CE1-CE1 3.94Å; I171-H175 PolarHBondContact O-CD2 3.25Å; I171-H175 PolarHBondContact O-N 3.06Å; I171-H175 VanDerWaalsContact O-N 3.13Å; M172-H175 PolarHBondContact O-N 2.9Å; M172-H175 VanDerWaalsContact O-N 3.16Å; H175-C178 WeakPolarHBondContact O-CB 3.38Å; H175-C178 PolarHBondContact O-N 3.26Å; H175-L179 PolarHBondContact O-N 3.09Å; H175-L179 VanDerWaalsContact O-N 3.16Å; H175-S228 VanDerWaalsContact ND1-CB 3.3Å; H175-S228 WeakPolarHBondContact ND1-CB 3.47Å; H175-L232 HydrophobicContact CB-CD1 4.11Å; H175-L232 HydrophobicContact CB-CD2 3.84Å; H175-L232 HydrophobicContact CB-CG 3.84Å |
| 176 | I | 87.7 | Confident | 83.5 | Confident | 5 Ų | 5 | 11.7 Ų | 11.7 | 3% | 0.026 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 172.1 | -65.3 | 171.6 | 0 | 0 | 0 | 110.5 | L104 M172 C178 L179 H180 L232 L299 V302 | L104-I176 HydrophobicContact CD1-CG2 3.68Å; M172-I176 HydrophobicContact CE-CD1 4.3Å; M172-I176 HydrophobicContact CG-CD1 3.9Å; M172-I176 HydrophobicContact CG-CG1 4.49Å; M172-I176 WeakPolarHBondContact O-CG1 3.47Å; M172-I176 PolarHBondContact O-N 3.01Å; M172-I176 HydrophobicContact SD-CD1 4.48Å; I176-C178 PolarHBondContact O-N 3.1Å; I176-L179 PolarHBondContact O-N 3.19Å; I176-H180 PolarHBondContact O-N 3.32Å; I176-L232 HydrophobicContact CG1-CD1 4.43Å; I176-L232 HydrophobicContact CG1-CD2 4.15Å; I176-L299 HydrophobicContact CD1-CD2 4.44Å; I176-V302 HydrophobicContact CG2-CG1 4.47Å; I176-V302 HydrophobicContact CG2-CG2 3.95Å |
| 177 | W | 87.8 | Confident | 82.8 | Confident | 5 Ų | 5 | 15.9 Ų | 15.9 | 2% | 0.019 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 174.8 | 170.3 | 76.3 | 0 | 0 | 0 | 112.3 | L104 V115 L118 A119 Y122 S173 Y174 L179 H180 V181 V221 | L104-W177 HydrophobicContact CD2-CB 3.99Å; L104-W177 HydrophobicContact CD2-CG 4.22Å; V115-W177 HydrophobicContact CG1-CH2 4.45Å; V115-W177 HydrophobicContact CG1-CZ2 3.86Å; L118-W177 HydrophobicContact CB-CZ2 4.11Å; A119-W177 HydrophobicContact CB-CH2 3.5Å; A119-W177 VanDerWaalsContact CB-CH2 3.5Å; A119-W177 HydrophobicContact CB-CZ2 3.94Å; A119-W177 HydrophobicContact CB-CZ3 4.38Å; Y122-W177 HydrophobicContact CD1-CB 4.47Å; Y122-W177 HydrophobicContact CD2-CB 3.84Å; Y122-W177 AromaticContact CD2-CD1 3.73Å; Y122-W177 AromaticContact CD2-CD2 3.7Å; Y122-W177 HydrophobicContact CD2-CD2 3.7Å; Y122-W177 HydrophobicContact CD2-CE3 4.29Å; Y122-W177 AromaticContact CD2-CG 3.46Å; Y122-W177 HydrophobicContact CD2-CG 3.46Å; Y122-W177 VanDerWaalsContact CD2-CG 3.46Å; Y122-W177 HydrophobicContact CE1-CB 4.28Å; Y122-W177 HydrophobicContact CE2-CB 3.64Å; Y122-W177 AromaticContact CE2-CD1 3.3Å; Y122-W177 HydrophobicContact CE2-CD2 4.08Å; Y122-W177 AromaticContact CE2-CG 3.37Å; Y122-W177 HydrophobicContact CE2-CG 3.37Å; Y122-W177 AromaticContact CE2-NE1 3.94Å; Y122-W177 HydrophobicContact CG-CB 4.29Å; Y122-W177 HydrophobicContact CG-CD2 4.47Å; Y122-W177 HydrophobicContact CG-CG 4.29Å; S173-W177 WeakPolarHBondContact O-CB 3.45Å; S173-W177 PolarHBondContact O-N 3.33Å; Y174-W177 HydrophobicContact CE2-CE3 4.42Å; Y174-W177 HydrophobicContact CE2-CZ3 4.22Å; Y174-W177 PolarHBondContact O-N 2.96Å; W177-L179 VanDerWaalsContact C-N 3.33Å; W177-L179 PolarHBondContact O-N 3.06Å; W177-H180 WeakPolarHBondContact O-CB 3.48Å; W177-H180 PolarHBondContact O-N 3.49Å; W177-H180 VanDerWaalsContact O-N 3.14Å; W177-V181 HydrophobicContact CD2-CG2 4.25Å; W177-V181 HydrophobicContact CZ2-CG2 3.88Å; W177-V181 WeakPolarHBondContact O-CG2 3.48Å; W177-V181 PolarHBondContact O-N 2.98Å; W177-V221 HydrophobicContact CH2-CG2 4.04Å; W177-V221 HydrophobicContact CZ3-CG2 4.06Å |
| 178 | C | 87.3 | Confident | 81.7 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 176.7 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | Y155 Y174 H175 I176 V181 S182 V221 | Y155-C178 PolarHBondContact OH-SG 3.48Å; Y174-C178 VanDerWaalsContact CE1-SG 3.58Å; Y174-C178 PolarHBondContact O-N 3.16Å; Y174-C178 PolarHBondContact O-SG 3.4Å; H175-C178 WeakPolarHBondContact O-CB 3.38Å; H175-C178 PolarHBondContact O-N 3.26Å; I176-C178 PolarHBondContact O-N 3.1Å; C178-V181 PolarHBondContact O-N 3.06Å; C178-S182 PolarHBondContact O-N 3.45Å; C178-S182 VanDerWaalsContact O-N 3.13Å; C178-V221 HydrophobicContact CB-CG1 3.87Å |
| 179 | L | 86.4 | Confident | 80.4 | Confident | 8 Ų | 8 | 29.3 Ų | 29.3 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.5 | -33.4 | 176.1 | -71.7 | -179 | 0 | 0 | 0 | 112.9 | H175 I176 W177 S182 H183 I225 V229 L232 V302 Y306 | H175-L179 PolarHBondContact O-N 3.09Å; H175-L179 VanDerWaalsContact O-N 3.16Å; I176-L179 PolarHBondContact O-N 3.19Å; W177-L179 VanDerWaalsContact C-N 3.33Å; W177-L179 PolarHBondContact O-N 3.06Å; L179-S182 WeakPolarHBondContact O-CB 3.49Å; L179-S182 PolarHBondContact O-N 3.08Å; L179-H183 PolarHBondContact O-N 3.06Å; L179-I225 HydrophobicContact CD2-CG2 3.65Å; L179-V229 HydrophobicContact CD1-CG2 4.34Å; L179-V229 HydrophobicContact CD2-CG2 3.73Å; L179-L232 HydrophobicContact CD1-CD1 3.45Å; L179-L232 VanDerWaalsContact CD1-CD1 3.45Å; L179-L232 HydrophobicContact CG-CD1 4.4Å; L179-V302 HydrophobicContact CB-CG1 3.97Å; L179-V302 HydrophobicContact CD1-CG1 3.51Å; L179-V302 HydrophobicContact CG-CG1 4.39Å; L179-Y306 HydrophobicContact CD2-CD2 3.79Å; L179-Y306 HydrophobicContact CD2-CE2 4.34Å; L179-Y306 HydrophobicContact CD2-CG 4.11Å |
| 180 | H | 83.8 | Confident | 78.6 | Confident | 23 Ų | 23 | 38 Ų | 38 | 11% | 0.106 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.4 | -45.1 | 172.4 | -168.3 | 88.6 | 0 | 0 | 0 | 111.5 | L104 R108 I176 W177 S182 H183 T184 | L104-H180 HydrophobicContact CD1-CB 4.11Å; R108-H180 PolarHBondContact NH1-NE2 3.26Å; I176-H180 PolarHBondContact O-N 3.32Å; W177-H180 WeakPolarHBondContact O-CB 3.48Å; W177-H180 PolarHBondContact O-N 3.49Å; W177-H180 VanDerWaalsContact O-N 3.14Å; H180-S182 VanDerWaalsContact C-N 3.3Å; H180-S182 PolarHBondContact O-N 3.21Å; H180-H183 PolarHBondContact O-N 2.8Å; H180-H183 VanDerWaalsContact O-N 3.11Å; H180-T184 VanDerWaalsContact CD2-CG2 3.46Å; H180-T184 WeakPolarHBondContact CD2-CG2 3.06Å; H180-T184 WeakPolarHBondContact O-CG2 3.42Å; H180-T184 PolarHBondContact O-N 3.22Å |
| 181 | V | 82.2 | Confident | 77 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.8 | -43.7 | 176 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | V115 W177 C178 H183 T184 S185 V218 V221 | V115-V181 HydrophobicContact CG1-CG1 4.4Å; V115-V181 HydrophobicContact CG1-CG2 4.22Å; W177-V181 HydrophobicContact CD2-CG2 4.25Å; W177-V181 HydrophobicContact CZ2-CG2 3.88Å; W177-V181 WeakPolarHBondContact O-CG2 3.48Å; W177-V181 PolarHBondContact O-N 2.98Å; C178-V181 PolarHBondContact O-N 3.06Å; V181-H183 PolarHBondContact O-N 2.84Å; V181-T184 PolarHBondContact O-N 2.88Å; V181-T184 PolarHBondContact O-OG1 3.16Å; V181-S185 PolarHBondContact O-N 3.1Å; V181-V218 HydrophobicContact CG1-CG1 4.36Å; V181-V218 HydrophobicContact CG1-CG2 4.18Å; V181-V221 HydrophobicContact CB-CG1 4.16Å; V181-V221 HydrophobicContact CG1-CB 4.44Å; V181-V221 HydrophobicContact CG1-CG1 4.17Å |
| 182 | S | 83.1 | Confident | 75.5 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -53.2 | -52.1 | 172.1 | 176.4 | 0 | 0 | 0 | 0 | 112.1 | C178 L179 H180 T184 S185 S186 I225 Q309 | C178-S182 PolarHBondContact O-N 3.45Å; C178-S182 VanDerWaalsContact O-N 3.13Å; L179-S182 WeakPolarHBondContact O-CB 3.49Å; L179-S182 PolarHBondContact O-N 3.08Å; H180-S182 VanDerWaalsContact C-N 3.3Å; H180-S182 PolarHBondContact O-N 3.21Å; S182-T184 VanDerWaalsContact C-N 3.31Å; S182-T184 PolarHBondContact O-N 3.28Å; S182-S185 PolarHBondContact O-N 3.13Å; S182-S185 PolarHBondContact O-OG 3.33Å; S182-S186 PolarHBondContact O-N 3.32Å; S182-I225 WeakPolarHBondContact OG-CD1 3.36Å; S182-Q309 PolarHBondContact OG-NE2 3.46Å; S182-Q309 PolarHBondContact OG-OE1 3.39Å |
| 183 | H | 78.6 | Confident | 73.6 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 10% | 0.102 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.5 | -33.5 | 179.3 | -174.9 | -62.8 | 0 | 0 | 0 | 112.6 | L179 H180 V181 S186 M187 R305 Y348 | L179-H183 PolarHBondContact O-N 3.06Å; H180-H183 PolarHBondContact O-N 2.8Å; H180-H183 VanDerWaalsContact O-N 3.11Å; V181-H183 PolarHBondContact O-N 2.84Å; H183-S186 PolarHBondContact O-OG 3.1Å; H183-M187 VanDerWaalsContact CE1-CE 3.46Å; H183-M187 WeakPolarHBondContact CE1-CE 3.19Å; H183-M187 WeakPolarHBondContact O-CG 3.33Å; H183-R305 PolarHBondContact CD2-NE 2.9Å; H183-R305 PolarHBondContact CE1-NH2 2.97Å; H183-R305 PolarHBondContact ND1-NH2 3.36Å; H183-R305 PolarHBondContact NE2-NE 3.42Å; H183-R305 PolarHBondContact NE2-NH2 3.05Å; H183-Y348 PolarHBondContact NE2-OH 3.46Å |
| 184 | T | 76.6 | Confident | 71.9 | Confident | 35 Ų | 35 | 69 Ų | 69 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.1 | -34.9 | 176.7 | 68.4 | 0 | 0 | 0 | 0 | 112.2 | H180 V181 S182 S186 M187 | H180-T184 VanDerWaalsContact CD2-CG2 3.46Å; H180-T184 WeakPolarHBondContact CD2-CG2 3.06Å; H180-T184 WeakPolarHBondContact O-CG2 3.42Å; H180-T184 PolarHBondContact O-N 3.22Å; V181-T184 PolarHBondContact O-N 2.88Å; V181-T184 PolarHBondContact O-OG1 3.16Å; S182-T184 VanDerWaalsContact C-N 3.31Å; S182-T184 PolarHBondContact O-N 3.28Å; T184-S186 VanDerWaalsContact C-N 3.31Å; T184-S186 PolarHBondContact O-N 3.41Å; T184-M187 PolarHBondContact O-N 3.22Å |
| 185 | S | 74.8 | Confident | 70 | Confident | 55 Ų | 55 | 76.9 Ų | 76.9 | 39% | 0.385 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -73.9 | -21.7 | -178.7 | 73.1 | 0 | 0 | 0 | 0 | 113.5 | V181 S182 L222 | V181-S185 PolarHBondContact O-N 3.1Å; S182-S185 PolarHBondContact O-N 3.13Å; S182-S185 PolarHBondContact O-OG 3.33Å; S185-L222 WeakPolarHBondContact OG-CD2 3.28Å |
| 186 | S | 71.4 | Confident | 68.2 | Low | 66 Ų | 66 | 82.1 Ų | 82.1 | 46% | 0.462 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -10.2 | 175.6 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | S182 H183 T184 | S182-S186 PolarHBondContact O-N 3.32Å; H183-S186 PolarHBondContact O-OG 3.1Å; T184-S186 VanDerWaalsContact C-N 3.31Å; T184-S186 PolarHBondContact O-N 3.41Å |
| 187 | M | 67.6 | Low | 66.4 | Low | 91 Ų | 91 | 87 Ų | 87 | 45% | 0.448 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -82.2 | 139.1 | 174.1 | -68.4 | 174 | 137.5 | 0 | 0 | 110.5 | H183 T184 P189 | H183-M187 VanDerWaalsContact CE1-CE 3.46Å; H183-M187 WeakPolarHBondContact CE1-CE 3.19Å; H183-M187 WeakPolarHBondContact O-CG 3.33Å; T184-M187 PolarHBondContact O-N 3.22Å; M187-P189 WeakPolarHBondContact O-CD 3.46Å |
| 188 | L | 57.1 | Low | 64.5 | Low | 172 Ų | 172 | 94.6 Ų | 94.6 | 90% | 0.901 | 50% | 0.501 | S | S | * | . | trans | -67.3 | 110.7 | 171.1 | -74.9 | 159.5 | 0 | 0 | 0 | 109.4 | ||||
| 189 | P | 56.8 | Low | 62.4 | Low | 113 Ų | 113 | 99 Ų | 99 | 73% | 0.734 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 138.1 | 177.3 | 28.7 | -32.2 | 0 | 0 | 0 | 110.1 | M187 P191 | M187-P189 WeakPolarHBondContact O-CD 3.46Å; P189-P191 WeakPolarHBondContact O-CD 3.44Å |
| 190 | H | 48.9 | Very low | 60.2 | Low | 182 Ų | 182 | 104.3 Ų | 104.3 | 84% | 0.843 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 124.4 | 165.6 | -103.2 | 66.2 | 0 | 0 | 0 | 108.5 | F192 | H190-F192 PolarHBondContact O-N 3.02Š|
| 191 | P | 51.4 | Low | 58.5 | Low | 116 Ų | 116 | 106.3 Ų | 106.3 | 75% | 0.753 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 127 | 177.2 | 25.3 | -31.6 | 0 | 0 | 0 | 110.1 | P189 R193 | P189-P191 WeakPolarHBondContact O-CD 3.44Å; P191-R193 PolarHBondContact O-N 2.86Å; P191-R193 VanDerWaalsContact O-N 3.1Å |
| 192 | F | 53.5 | Low | 56.4 | Low | 175 Ų | 175 | 113.5 Ų | 113.5 | 77% | 0.768 | 63% | 0.63 | S | S | * | * | trans | -58.6 | 113.5 | 172.5 | -81.2 | -85.3 | 0 | 0 | 0 | 109.8 | H190 N194 | H190-F192 PolarHBondContact O-N 3.02Å; F192-N194 VanDerWaalsContact C-N 3.29Å; F192-N194 PolarHBondContact O-N 2.96Å | ||
| 193 | R | 48.3 | Very low | 54.2 | Low | 232 Ų | 232 | 119 Ų | 119 | 88% | 0.875 | 66% | 0.664 | S | S | * | * | trans | -89.4 | 49.8 | -176.4 | -141.3 | -175.8 | -157.5 | -160.1 | 6.8 | 111.5 | P191 | P191-R193 PolarHBondContact O-N 2.86Å; P191-R193 VanDerWaalsContact O-N 3.1Å | ||
| 194 | N | 49.5 | Very low | 52.3 | Low | 134 Ų | 134 | 127.2 Ų | 127.2 | 72% | 0.717 | 70% | 0.702 | S | S | * | * | trans | -91.5 | 111.2 | 172.1 | -77.8 | -8.8 | 0 | 0 | 0 | 109.5 | F192 T196 | F192-N194 VanDerWaalsContact C-N 3.29Å; F192-N194 PolarHBondContact O-N 2.96Å; N194-T196 PolarHBondContact O-N 3.21Å | ||
| 195 | L | 47.9 | Very low | 50.4 | Low | 173 Ų | 173 | 129.4 Ų | 129.4 | 91% | 0.906 | 72% | 0.715 | S | S | * | * | trans | -76.1 | 5.7 | -172.3 | -75.1 | 161.8 | 0 | 0 | 0 | 115 | ||||
| 196 | T | 51.9 | Low | 48.8 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -92.2 | 117.8 | 173.1 | 44.1 | 0 | 0 | 0 | 0 | 109.6 | N194 I198 | N194-T196 PolarHBondContact O-N 3.21Å; T196-I198 PolarHBondContact O-N 3.24Å |
| 197 | P | 48.6 | Very low | 47.5 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | -58.1 | 127.6 | 175.7 | 23.5 | -30.7 | 0 | 0 | 0 | 108.9 | V199 | P197-V199 HydrophobicContact CB-CG2 4.5Å; P197-V199 HydrophobicContact CG-CG2 4.46Å; P197-V199 PolarHBondContact O-N 2.88Å | ||
| 198 | I | 48.5 | Very low | 46.7 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | trans | -64.3 | 88.1 | 171.5 | -62.1 | 166.2 | 0 | 0 | 0 | 106.7 | T196 S200 | T196-I198 PolarHBondContact O-N 3.24Å; I198-S200 PolarHBondContact O-N 3.08Å | ||
| 199 | V | 43 | Very low | 46.3 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 56% | 0.558 | 72% | 0.719 | S | S | * | * | trans | -82.8 | 107.8 | 171 | -178.1 | 0 | 0 | 0 | 0 | 106.8 | P197 G201 | P197-V199 HydrophobicContact CB-CG2 4.5Å; P197-V199 HydrophobicContact CG-CG2 4.46Å; P197-V199 PolarHBondContact O-N 2.88Å; V199-G201 PolarHBondContact O-N 3.01Å | ||
| 200 | S | 41.3 | Very low | 46 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | 104.5 | 178 | -44.2 | 0 | 0 | 0 | 0 | 110 | I198 | I198-S200 PolarHBondContact O-N 3.08Š|
| 201 | G | 46.9 | Very low | 46.3 | Very low | 66 Ų | 66 | 123.5 Ų | 123.5 | 68% | 0.68 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123 | -1.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | V199 | V199-G201 PolarHBondContact O-N 3.01Š|
| 202 | L | 38.5 | Very low | 46.4 | Very low | 156 Ų | 156 | 121.7 Ų | 121.7 | 82% | 0.817 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -133.3 | 7.5 | -170.6 | -83.9 | 168.9 | 0 | 0 | 0 | 118.6 | ||
| 203 | T | 37.7 | Very low | 46.6 | Very low | 118 Ų | 118 | 118.5 Ų | 118.5 | 72% | 0.724 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -139.6 | 128.1 | 168.5 | 44.5 | 0 | 0 | 0 | 0 | 108.6 | V205 | T203-V205 PolarHBondContact O-N 2.86Š|
| 204 | E | 37.3 | Very low | 47.5 | Very low | 194 Ų | 194 | 109.5 Ų | 109.5 | 91% | 0.907 | 64% | 0.635 | S | S | * | * | trans | -22.5 | 100.1 | 178.3 | -69.3 | 175.6 | 164.2 | 0 | 0 | 111.9 | P206 | E204-P206 WeakPolarHBondContact O-CD 3.36Å; E204-P206 VanDerWaalsContact O-N 3.08Å | ||
| 205 | V | 36.6 | Very low | 48.5 | Very low | 80 Ų | 80 | 112.8 Ų | 112.8 | 49% | 0.485 | 64% | 0.638 | S | S | . | * | trans | -61 | 113.6 | -176.5 | 177.3 | 0 | 0 | 0 | 0 | 107.1 | T203 E207 A209 F210 | T203-V205 PolarHBondContact O-N 2.86Å; V205-E207 PolarHBondContact O-N 3.24Å; V205-A209 HydrophobicContact CG1-CB 3.75Å; V205-F210 HydrophobicContact CG1-CD2 4.31Å; V205-F210 HydrophobicContact CG1-CE2 4.24Å | ||
| 206 | P | 41.3 | Very low | 49.6 | Very low | 93 Ų | 93 | 109.4 Ų | 109.4 | 60% | 0.604 | 62% | 0.624 | S | S | * | * | trans | -59.3 | 128.5 | 168 | -12.8 | 27.2 | 0 | 0 | 0 | 105.6 | E204 V208 A209 | E204-P206 WeakPolarHBondContact O-CD 3.36Å; E204-P206 VanDerWaalsContact O-N 3.08Å; P206-V208 PolarHBondContact O-N 2.86Å; P206-A209 PolarHBondContact O-N 3.25Å | ||
| 207 | E | 45.1 | Very low | 50.6 | Low | 143 Ų | 143 | 105.6 Ų | 105.6 | 67% | 0.668 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.3 | -12.9 | -173.7 | -63.2 | -178.6 | 146.2 | 0 | 0 | 114.6 | V205 | V205-E207 PolarHBondContact O-N 3.24Š|
| 208 | V | 50.4 | Low | 51.9 | Low | 87 Ų | 87 | 101.9 Ų | 101.9 | 53% | 0.527 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | -27 | 176.3 | -164.6 | 0 | 0 | 0 | 0 | 114.4 | P206 F210 F211 | P206-V208 PolarHBondContact O-N 2.86Å; V208-F210 VanDerWaalsContact C-N 3.31Å; V208-F210 PolarHBondContact O-N 3.08Å; V208-F211 PolarHBondContact O-N 3.09Å |
| 209 | A | 48.3 | Very low | 53.4 | Low | 57 Ų | 57 | 95.5 Ų | 95.5 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -69 | -25.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | V205 P206 F211 A212 | V205-A209 HydrophobicContact CG1-CB 3.75Å; P206-A209 PolarHBondContact O-N 3.25Å; A209-F211 PolarHBondContact O-N 3.4Å; A209-A212 WeakPolarHBondContact O-CB 3.26Å; A209-A212 PolarHBondContact O-N 3.32Å |
| 210 | F | 51.5 | Low | 55.2 | Low | 153 Ų | 153 | 94.1 Ų | 94.1 | 67% | 0.671 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -69.9 | -18.2 | 176.2 | -84.5 | -80.2 | 0 | 0 | 0 | 113.7 | V205 V208 | V205-F210 HydrophobicContact CG1-CD2 4.31Å; V205-F210 HydrophobicContact CG1-CE2 4.24Å; V208-F210 VanDerWaalsContact C-N 3.31Å; V208-F210 PolarHBondContact O-N 3.08Å |
| 211 | F | 55.6 | Low | 57.1 | Low | 22 Ų | 22 | 88.6 Ų | 88.6 | 10% | 0.096 | 50% | 0.501 | C | S | . | . | G | 310 helix | trans | -96.9 | 3.3 | 178.9 | -61.4 | -75.9 | 0 | 0 | 0 | 113.2 | E44 P114 L117 V208 A209 D213 N214 | E44-F211 WeakPolarHBondContact OE2-CE1 3.21Å; P114-F211 HydrophobicContact CB-CB 3.71Å; P114-F211 HydrophobicContact CB-CD1 4.27Å; P114-F211 HydrophobicContact CB-CG 4.17Å; P114-F211 HydrophobicContact CG-CB 3.5Å; P114-F211 VanDerWaalsContact CG-CB 3.5Å; P114-F211 HydrophobicContact CG-CD1 4.25Å; P114-F211 HydrophobicContact CG-CD2 4.35Å; P114-F211 HydrophobicContact CG-CG 3.79Å; L117-F211 HydrophobicContact CD1-CE1 4.4Å; L117-F211 HydrophobicContact CD1-CZ 4.43Å; L117-F211 HydrophobicContact CD2-CD1 4.31Å; L117-F211 HydrophobicContact CD2-CE1 3.55Å; L117-F211 HydrophobicContact CD2-CZ 4Å; L117-F211 HydrophobicContact CG-CD1 4.33Å; L117-F211 HydrophobicContact CG-CE1 4.01Å; L117-F211 HydrophobicContact CG-CZ 4.49Å; V208-F211 PolarHBondContact O-N 3.09Å; A209-F211 PolarHBondContact O-N 3.4Å; F211-D213 VanDerWaalsContact C-N 3.29Å; F211-D213 PolarHBondContact O-N 2.62Å; F211-N214 PolarHBondContact O-OD1 3.31Å |
| 212 | A | 53.5 | Low | 58.8 | Low | 79 Ų | 79 | 88.7 Ų | 88.7 | 65% | 0.653 | 49% | 0.486 | S | S | * | . | trans | -68.5 | -24.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A209 N214 | A209-A212 WeakPolarHBondContact O-CB 3.26Å; A209-A212 PolarHBondContact O-N 3.32Å; A212-N214 VanDerWaalsContact C-N 3.32Å; A212-N214 PolarHBondContact O-N 3.31Å; A212-N214 VanDerWaalsContact O-N 3.1Å | ||
| 213 | D | 56.7 | Low | 61.1 | Low | 107 Ų | 107 | 86.6 Ų | 86.6 | 57% | 0.572 | 48% | 0.48 | S | S | * | . | trans | -88.1 | 67 | 177.5 | -156 | 3.1 | 0 | 0 | 0 | 112.5 | F211 R215 | F211-D213 VanDerWaalsContact C-N 3.29Å; F211-D213 PolarHBondContact O-N 2.62Å; D213-R215 PolarHBondContact O-N 3.23Å; D213-R215 WeakPolarHBondContact OD1-CB 3.42Å; D213-R215 WeakPolarHBondContact OD1-CG 3.3Å | ||
| 214 | N | 66.7 | Low | 63.3 | Low | 43 Ų | 43 | 85.6 Ų | 85.6 | 23% | 0.23 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -3 | 172.4 | -70.4 | -37.8 | 0 | 0 | 0 | 112.7 | V115 F211 A212 V216 E217 V218 | V115-N214 HydrophobicContact CB-CB 4.38Å; V115-N214 HydrophobicContact CG2-CB 4.46Å; F211-N214 PolarHBondContact O-OD1 3.31Å; A212-N214 VanDerWaalsContact C-N 3.32Å; A212-N214 PolarHBondContact O-N 3.31Å; A212-N214 VanDerWaalsContact O-N 3.1Å; N214-V216 VanDerWaalsContact C-N 3.35Å; N214-V216 PolarHBondContact O-N 3.24Å; N214-E217 PolarHBondContact O-N 3.33Å; N214-V218 HydrophobicContact CB-CG2 4.27Å; N214-V218 WeakPolarHBondContact O-CB 3.48Å; N214-V218 WeakPolarHBondContact O-CG2 3.35Å; N214-V218 PolarHBondContact O-N 3.28Å |
| 215 | R | 70.3 | Confident | 65.6 | Low | 203 Ų | 203 | 77.2 Ų | 77.2 | 77% | 0.766 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.3 | -37.9 | -170.1 | -62.7 | -179.3 | 179.4 | -153.7 | -0.5 | 112.8 | D213 G219 | D213-R215 PolarHBondContact O-N 3.23Å; D213-R215 WeakPolarHBondContact OD1-CB 3.42Å; D213-R215 WeakPolarHBondContact OD1-CG 3.3Å; R215-G219 PolarHBondContact O-N 3.45Å |
| 216 | V | 72 | Confident | 67.9 | Low | 102 Ų | 102 | 78.4 Ų | 78.4 | 62% | 0.618 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66 | -47.7 | -178 | 180 | 0 | 0 | 0 | 0 | 110.4 | N214 G219 V220 | N214-V216 VanDerWaalsContact C-N 3.35Å; N214-V216 PolarHBondContact O-N 3.24Å; V216-G219 PolarHBondContact O-N 3.12Å; V216-V220 WeakPolarHBondContact O-CG2 3.27Å; V216-V220 PolarHBondContact O-N 3.37Å |
| 217 | E | 71.9 | Confident | 70 | Confident | 30 Ų | 30 | 78.2 Ų | 78.2 | 14% | 0.14 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -75.9 | -39.3 | -176.6 | -70.6 | 176.3 | 159 | 0 | 0 | 112.7 | K116 N214 G219 V220 V221 | K116-E217 WeakPolarHBondContact CA-OE2 3.1Å; K116-E217 WeakPolarHBondContact CB-OE2 3.46Å; K116-E217 WeakPolarHBondContact CE-OE1 3.49Å; K116-E217 VanDerWaalsContact CG-OE1 3.31Å; K116-E217 WeakPolarHBondContact CG-OE1 3.31Å; K116-E217 VanDerWaalsContact CG-OE2 3.25Å; K116-E217 WeakPolarHBondContact CG-OE2 3.49Å; K116-E217 PolarHBondContact N-OE2 3.16Å; N214-E217 PolarHBondContact O-N 3.33Å; E217-G219 VanDerWaalsContact C-N 3.26Å; E217-G219 PolarHBondContact O-N 3.47Å; E217-V220 PolarHBondContact O-N 3.31Å; E217-V221 WeakPolarHBondContact O-CG2 3.29Å; E217-V221 PolarHBondContact O-N 3.08Å |
| 218 | V | 77.2 | Confident | 71.9 | Confident | 30 Ų | 30 | 71.4 Ų | 71.4 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58 | -44.7 | 169.1 | 173.7 | 0 | 0 | 0 | 0 | 109.1 | V115 V181 N214 V220 V221 L222 | V115-V218 HydrophobicContact CB-CG2 4.39Å; V115-V218 HydrophobicContact CG1-CG2 4.06Å; V115-V218 HydrophobicContact CG2-CG2 4.16Å; V181-V218 HydrophobicContact CG1-CG1 4.36Å; V181-V218 HydrophobicContact CG1-CG2 4.18Å; N214-V218 HydrophobicContact CB-CG2 4.27Å; N214-V218 WeakPolarHBondContact O-CB 3.48Å; N214-V218 WeakPolarHBondContact O-CG2 3.35Å; N214-V218 PolarHBondContact O-N 3.28Å; V218-V220 PolarHBondContact O-N 3.03Å; V218-V221 PolarHBondContact O-N 3Å; V218-L222 HydrophobicContact CG1-CD1 3.83Å; V218-L222 HydrophobicContact CG1-CG 4.04Å; V218-L222 WeakPolarHBondContact O-CB 3.36Å; V218-L222 WeakPolarHBondContact O-CG 3.48Å; V218-L222 PolarHBondContact O-N 3.3Å |
| 219 | G | 79.9 | Confident | 73.7 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 32% | 0.32 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56 | -46.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R215 V216 E217 L222 T223 | R215-G219 PolarHBondContact O-N 3.45Å; V216-G219 PolarHBondContact O-N 3.12Å; E217-G219 VanDerWaalsContact C-N 3.26Å; E217-G219 PolarHBondContact O-N 3.47Å; G219-L222 PolarHBondContact O-N 3.45Å; G219-T223 WeakPolarHBondContact O-CG2 3.46Å; G219-T223 PolarHBondContact O-N 3.14Å; G219-T223 VanDerWaalsContact O-N 3.09Å; G219-T223 PolarHBondContact O-OG1 3.42Å |
| 220 | V | 80.3 | Confident | 75.5 | Confident | 63 Ų | 63 | 69.1 Ų | 69.1 | 38% | 0.382 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | V216 E217 V218 T223 | V216-V220 WeakPolarHBondContact O-CG2 3.27Å; V216-V220 PolarHBondContact O-N 3.37Å; E217-V220 PolarHBondContact O-N 3.31Å; V218-V220 PolarHBondContact O-N 3.03Å; V220-T223 PolarHBondContact O-N 3Å; V220-T223 PolarHBondContact O-OG1 3.33Å |
| 221 | V | 82.1 | Confident | 77.1 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 177.7 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | W177 C178 V181 E217 V218 T223 R224 I225 | W177-V221 HydrophobicContact CH2-CG2 4.04Å; W177-V221 HydrophobicContact CZ3-CG2 4.06Å; C178-V221 HydrophobicContact CB-CG1 3.87Å; V181-V221 HydrophobicContact CB-CG1 4.16Å; V181-V221 HydrophobicContact CG1-CB 4.44Å; V181-V221 HydrophobicContact CG1-CG1 4.17Å; E217-V221 WeakPolarHBondContact O-CG2 3.29Å; E217-V221 PolarHBondContact O-N 3.08Å; V218-V221 PolarHBondContact O-N 3Å; V221-T223 VanDerWaalsContact C-N 3.29Å; V221-T223 PolarHBondContact O-N 3.46Å; V221-R224 PolarHBondContact O-N 3.09Å; V221-R224 VanDerWaalsContact O-N 3.08Å; V221-I225 PolarHBondContact O-N 3.41Å |
| 222 | L | 82.5 | Confident | 78.5 | Confident | 68 Ų | 68 | 61.3 Ų | 61.3 | 36% | 0.356 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -36.7 | -179.8 | -69.2 | -177.9 | 0 | 0 | 0 | 112.6 | S185 V218 G219 R224 I225 | S185-L222 WeakPolarHBondContact OG-CD2 3.28Å; V218-L222 HydrophobicContact CG1-CD1 3.83Å; V218-L222 HydrophobicContact CG1-CG 4.04Å; V218-L222 WeakPolarHBondContact O-CB 3.36Å; V218-L222 WeakPolarHBondContact O-CG 3.48Å; V218-L222 PolarHBondContact O-N 3.3Å; G219-L222 PolarHBondContact O-N 3.45Å; L222-R224 VanDerWaalsContact C-N 3.25Å; L222-R224 PolarHBondContact O-N 3.35Å; L222-I225 HydrophobicContact CB-CD1 4.32Å; L222-I225 HydrophobicContact CD2-CD1 3.56Å; L222-I225 WeakPolarHBondContact O-CD1 3.47Å |
| 223 | T | 85.4 | Confident | 80.1 | Confident | 112 Ų | 112 | 60.9 Ų | 60.9 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.5 | -21.6 | 177.6 | 57.7 | 0 | 0 | 0 | 0 | 114.4 | G219 V220 V221 | G219-T223 WeakPolarHBondContact O-CG2 3.46Å; G219-T223 PolarHBondContact O-N 3.14Å; G219-T223 VanDerWaalsContact O-N 3.09Å; G219-T223 PolarHBondContact O-OG1 3.42Å; V220-T223 PolarHBondContact O-N 3Å; V220-T223 PolarHBondContact O-OG1 3.33Å; V221-T223 VanDerWaalsContact C-N 3.29Å; V221-T223 PolarHBondContact O-N 3.46Å |
| 224 | R | 84.4 | Confident | 81.4 | Confident | 98 Ų | 98 | 59.1 Ų | 59.1 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 14.6 | -174.7 | -62.1 | -171.7 | -177.3 | -178.4 | -1.6 | 113.9 | Y155 V221 L222 Q226 E227 S228 | Y155-R224 HydrophobicContact CD1-CB 4.42Å; Y155-R224 HydrophobicContact CE1-CB 3.87Å; V221-R224 PolarHBondContact O-N 3.09Å; V221-R224 VanDerWaalsContact O-N 3.08Å; L222-R224 VanDerWaalsContact C-N 3.25Å; L222-R224 PolarHBondContact O-N 3.35Å; R224-Q226 VanDerWaalsContact C-N 3.3Å; R224-Q226 PolarHBondContact O-N 3.37Å; R224-E227 PolarHBondContact O-N 3.24Å; R224-S228 PolarHBondContact O-N 3.24Å |
| 225 | I | 86 | Confident | 82.2 | Confident | 17 Ų | 17 | 57.1 Ų | 57.1 | 9% | 0.087 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.9 | -43.6 | -179.3 | -70.2 | 162.3 | 0 | 0 | 0 | 111.4 | L179 S182 V221 L222 E227 S228 V229 Y306 | L179-I225 HydrophobicContact CD2-CG2 3.65Å; S182-I225 WeakPolarHBondContact OG-CD1 3.36Å; V221-I225 PolarHBondContact O-N 3.41Å; L222-I225 HydrophobicContact CB-CD1 4.32Å; L222-I225 HydrophobicContact CD2-CD1 3.56Å; L222-I225 WeakPolarHBondContact O-CD1 3.47Å; I225-E227 PolarHBondContact O-N 3.4Å; I225-S228 PolarHBondContact O-N 3.21Å; I225-S228 PolarHBondContact O-OG 3.19Å; I225-V229 HydrophobicContact CG2-CG2 4.09Å; I225-V229 WeakPolarHBondContact O-CG2 3.45Å; I225-V229 PolarHBondContact O-N 3.38Å; I225-Y306 HydrophobicContact CG2-CD2 4.09Å; I225-Y306 HydrophobicContact CG2-CE2 3.34Å |
| 226 | Q | 85.1 | Confident | 82.9 | Confident | 106 Ų | 106 | 49.2 Ų | 49.2 | 50% | 0.495 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.4 | -36.1 | -177.2 | -169.5 | 59.5 | 37.5 | 0 | 0 | 112.4 | R224 V229 N230 Y306 | R224-Q226 VanDerWaalsContact C-N 3.3Å; R224-Q226 PolarHBondContact O-N 3.37Å; Q226-V229 PolarHBondContact O-N 3.3Å; Q226-N230 PolarHBondContact NE2-OD1 2.75Å; Q226-N230 PolarHBondContact O-N 3.46Å; Q226-N230 VanDerWaalsContact O-N 3.09Å; Q226-N230 PolarHBondContact O-ND2 3.07Å; Q226-N230 PolarHBondContact O-OD1 2.83Å; Q226-Y306 PolarHBondContact OE1-OH 3.37Å |
| 227 | E | 85.5 | Confident | 83.4 | Confident | 88 Ų | 88 | 48.5 Ų | 48.5 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 174.8 | -62.6 | 173.1 | -171.3 | 0 | 0 | 110.9 | Y155 R224 I225 V229 N230 Q231 | Y155-E227 HydrophobicContact CD1-CB 3.88Å; R224-E227 PolarHBondContact O-N 3.24Å; I225-E227 PolarHBondContact O-N 3.4Å; E227-V229 VanDerWaalsContact C-N 3.35Å; E227-V229 PolarHBondContact O-N 3.39Å; E227-N230 PolarHBondContact O-N 3.44Å; E227-Q231 VanDerWaalsContact O-CG 3.27Å; E227-Q231 WeakPolarHBondContact O-CG 3.46Å; E227-Q231 PolarHBondContact O-N 3.18Å; E227-Q231 VanDerWaalsContact O-N 3.12Å |
| 228 | S | 85.5 | Confident | 84 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | 177 | 67 | 0 | 0 | 0 | 0 | 113.2 | H175 R224 I225 Q231 L232 | H175-S228 VanDerWaalsContact ND1-CB 3.3Å; H175-S228 WeakPolarHBondContact ND1-CB 3.47Å; R224-S228 PolarHBondContact O-N 3.24Å; I225-S228 PolarHBondContact O-N 3.21Å; I225-S228 PolarHBondContact O-OG 3.19Å; S228-Q231 PolarHBondContact O-N 3.44Å; S228-L232 WeakPolarHBondContact O-CG 3.46Å; S228-L232 PolarHBondContact O-N 3.38Å; S228-L232 VanDerWaalsContact O-N 3.08Å |
| 229 | V | 86.6 | Confident | 84 | Confident | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 175.8 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | L179 I225 Q226 E227 Q231 L232 N233 L303 Y306 | L179-V229 HydrophobicContact CD1-CG2 4.34Å; L179-V229 HydrophobicContact CD2-CG2 3.73Å; I225-V229 HydrophobicContact CG2-CG2 4.09Å; I225-V229 WeakPolarHBondContact O-CG2 3.45Å; I225-V229 PolarHBondContact O-N 3.38Å; Q226-V229 PolarHBondContact O-N 3.3Å; E227-V229 VanDerWaalsContact C-N 3.35Å; E227-V229 PolarHBondContact O-N 3.39Å; V229-Q231 VanDerWaalsContact C-N 3.34Å; V229-Q231 PolarHBondContact O-N 2.99Å; V229-L232 PolarHBondContact O-N 3.11Å; V229-N233 WeakPolarHBondContact O-CB 3.25Å; V229-N233 VanDerWaalsContact O-CG 3.32Å; V229-N233 PolarHBondContact O-N 3.18Å; V229-N233 PolarHBondContact O-ND2 3.14Å; V229-L303 HydrophobicContact CG1-CD2 4.04Å; V229-Y306 HydrophobicContact CB-CE1 4.46Å; V229-Y306 HydrophobicContact CG1-CD1 4.32Å; V229-Y306 HydrophobicContact CG1-CE1 4.25Å; V229-Y306 HydrophobicContact CG2-CD1 3.7Å; V229-Y306 HydrophobicContact CG2-CD2 4.43Å; V229-Y306 HydrophobicContact CG2-CE1 3.56Å; V229-Y306 HydrophobicContact CG2-CE2 4.32Å; V229-Y306 HydrophobicContact CG2-CG 4.12Å |
| 230 | N | 86.3 | Confident | 83.6 | Confident | 87 Ų | 87 | 53.6 Ų | 53.6 | 47% | 0.465 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 178.3 | -66.9 | -12.4 | 0 | 0 | 0 | 111.6 | Q226 E227 N233 E234 | Q226-N230 PolarHBondContact NE2-OD1 2.75Å; Q226-N230 PolarHBondContact O-N 3.46Å; Q226-N230 VanDerWaalsContact O-N 3.09Å; Q226-N230 PolarHBondContact O-ND2 3.07Å; Q226-N230 PolarHBondContact O-OD1 2.83Å; E227-N230 PolarHBondContact O-N 3.44Å; N230-N233 PolarHBondContact O-N 3.16Å; N230-E234 PolarHBondContact O-N 2.66Å |
| 231 | Q | 85.1 | Confident | 83.3 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 177.8 | -64.7 | -75 | -22.6 | 0 | 0 | 111.8 | G156 W160 E227 S228 V229 E234 I235 | G156-Q231 PolarHBondContact O-NE2 2.86Å; G156-Q231 VanDerWaalsContact O-NE2 3.11Å; W160-Q231 VanDerWaalsContact CZ2-OE1 3.23Å; E227-Q231 VanDerWaalsContact O-CG 3.27Å; E227-Q231 WeakPolarHBondContact O-CG 3.46Å; E227-Q231 PolarHBondContact O-N 3.18Å; E227-Q231 VanDerWaalsContact O-N 3.12Å; S228-Q231 PolarHBondContact O-N 3.44Å; V229-Q231 VanDerWaalsContact C-N 3.34Å; V229-Q231 PolarHBondContact O-N 2.99Å; Q231-E234 PolarHBondContact O-N 3.35Å; Q231-I235 WeakPolarHBondContact O-CG1 3.13Å; Q231-I235 PolarHBondContact O-N 2.96Å |
| 232 | L | 86.3 | Confident | 83 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.6 | -36.9 | 176.9 | -68 | 175.4 | 0 | 0 | 0 | 112.6 | M172 H175 I176 L179 S228 V229 E234 I235 N236 L299 V302 L303 | M172-L232 HydrophobicContact CG-CD2 4.24Å; H175-L232 HydrophobicContact CB-CD1 4.11Å; H175-L232 HydrophobicContact CB-CD2 3.84Å; H175-L232 HydrophobicContact CB-CG 3.84Å; I176-L232 HydrophobicContact CG1-CD1 4.43Å; I176-L232 HydrophobicContact CG1-CD2 4.15Å; L179-L232 HydrophobicContact CD1-CD1 3.45Å; L179-L232 VanDerWaalsContact CD1-CD1 3.45Å; L179-L232 HydrophobicContact CG-CD1 4.4Å; S228-L232 WeakPolarHBondContact O-CG 3.46Å; S228-L232 PolarHBondContact O-N 3.38Å; S228-L232 VanDerWaalsContact O-N 3.08Å; V229-L232 PolarHBondContact O-N 3.11Å; L232-E234 VanDerWaalsContact C-N 3.33Å; L232-I235 HydrophobicContact CD2-CD1 4.4Å; L232-I235 PolarHBondContact O-N 3.14Å; L232-N236 VanDerWaalsContact O-CB 3.32Å; L232-N236 WeakPolarHBondContact O-CB 3.18Å; L232-N236 PolarHBondContact O-N 2.82Å; L232-L299 HydrophobicContact CD2-CD2 3.72Å; L232-V302 HydrophobicContact CD1-CG1 4.47Å; L232-L303 HydrophobicContact CB-CD2 4.32Å |
| 233 | N | 85.7 | Confident | 82.7 | Confident | 70 Ų | 70 | 60 Ų | 60 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 173.6 | -77.3 | -30.2 | 0 | 0 | 0 | 111.8 | V229 N230 N236 S237 L303 | V229-N233 WeakPolarHBondContact O-CB 3.25Å; V229-N233 VanDerWaalsContact O-CG 3.32Å; V229-N233 PolarHBondContact O-N 3.18Å; V229-N233 PolarHBondContact O-ND2 3.14Å; N230-N233 PolarHBondContact O-N 3.16Å; N233-N236 PolarHBondContact O-N 2.7Å; N233-S237 PolarHBondContact O-N 2.97Å; N233-L303 VanDerWaalsContact OD1-CD1 3.22Å; N233-L303 WeakPolarHBondContact OD1-CD1 3.44Å |
| 234 | E | 84.3 | Confident | 82.4 | Confident | 71 Ų | 71 | 55 Ų | 55 | 33% | 0.332 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 176 | -166.7 | -178.6 | -175.1 | 0 | 0 | 111.3 | W160 N230 Q231 L232 N236 S237 L238 | W160-E234 PolarHBondContact NE1-OE2 3.39Å; W160-E234 VanDerWaalsContact NE1-OE2 3.14Å; N230-E234 PolarHBondContact O-N 2.66Å; Q231-E234 PolarHBondContact O-N 3.35Å; L232-E234 VanDerWaalsContact C-N 3.33Å; E234-N236 VanDerWaalsContact C-N 3.31Å; E234-N236 PolarHBondContact O-N 2.97Å; E234-S237 PolarHBondContact O-N 3.13Å; E234-S237 PolarHBondContact O-OG 3.38Å; E234-L238 HydrophobicContact CG-CD1 4.14Å; E234-L238 WeakPolarHBondContact O-CG 3.44Å; E234-L238 PolarHBondContact O-N 3.05Å; E234-L238 VanDerWaalsContact O-N 3.14Å |
| 235 | I | 84.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 173.5 | -63.5 | 168.6 | 0 | 0 | 0 | 110.4 | W160 M172 Q231 L232 S237 L238 L239 I244 L299 | W160-I235 HydrophobicContact CD2-CG1 4.03Å; W160-I235 HydrophobicContact CE3-CD1 4.47Å; W160-I235 HydrophobicContact CE3-CG1 4.09Å; W160-I235 HydrophobicContact CH2-CD1 3.44Å; W160-I235 VanDerWaalsContact CH2-CD1 3.44Å; W160-I235 HydrophobicContact CH2-CG1 3.64Å; W160-I235 HydrophobicContact CZ2-CD1 3.8Å; W160-I235 HydrophobicContact CZ2-CG1 3.53Å; W160-I235 HydrophobicContact CZ3-CD1 3.81Å; W160-I235 HydrophobicContact CZ3-CG1 3.92Å; M172-I235 HydrophobicContact CB-CD1 4.17Å; M172-I235 HydrophobicContact CG-CD1 4.38Å; Q231-I235 WeakPolarHBondContact O-CG1 3.13Å; Q231-I235 PolarHBondContact O-N 2.96Å; L232-I235 HydrophobicContact CD2-CD1 4.4Å; L232-I235 PolarHBondContact O-N 3.14Å; I235-S237 VanDerWaalsContact C-N 3.28Å; I235-S237 PolarHBondContact O-N 3.01Å; I235-L238 CarbonylContact O-C 3.55Å; I235-L238 PolarHBondContact O-N 3.4Å; I235-L238 VanDerWaalsContact O-N 3.13Å; I235-L239 PolarHBondContact O-N 3.31Å; I235-L239 VanDerWaalsContact O-N 3.13Å; I235-I244 HydrophobicContact CG2-CD1 4.14Å; I235-L299 HydrophobicContact CG2-CD1 3.98Å |
| 236 | N | 84.9 | Confident | 82 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.3 | -37 | 179.8 | -159.6 | 32.6 | 0 | 0 | 0 | 111.7 | L232 N233 E234 L238 L239 L299 N300 | L232-N236 VanDerWaalsContact O-CB 3.32Å; L232-N236 WeakPolarHBondContact O-CB 3.18Å; L232-N236 PolarHBondContact O-N 2.82Å; N233-N236 PolarHBondContact O-N 2.7Å; E234-N236 VanDerWaalsContact C-N 3.31Å; E234-N236 PolarHBondContact O-N 2.97Å; N236-L238 VanDerWaalsContact C-N 3.33Å; N236-L238 PolarHBondContact O-N 3.16Å; N236-L239 HydrophobicContact CB-CD1 4.5Å; N236-L239 WeakPolarHBondContact O-CD1 3.49Å; N236-L239 WeakPolarHBondContact OD1-CD1 3.36Å; N236-L299 HydrophobicContact CB-CD1 4.17Å; N236-N300 PolarHBondContact ND2-OD1 2.88Å; N236-N300 VanDerWaalsContact ND2-OD1 3.09Å |
| 237 | S | 82.7 | Confident | 81.9 | Confident | 87 Ų | 87 | 45.6 Ų | 45.6 | 61% | 0.608 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -72.4 | -22.8 | 177.2 | 71.5 | 0 | 0 | 0 | 0 | 114.4 | N233 E234 I235 | N233-S237 PolarHBondContact O-N 2.97Å; E234-S237 PolarHBondContact O-N 3.13Å; E234-S237 PolarHBondContact O-OG 3.38Å; I235-S237 VanDerWaalsContact C-N 3.28Å; I235-S237 PolarHBondContact O-N 3.01Å |
| 238 | L | 83 | Confident | 81.6 | Confident | 56 Ų | 56 | 44 Ų | 44 | 29% | 0.293 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 9.4 | -176.7 | -65.5 | 173.2 | 0 | 0 | 0 | 112.9 | W160 E234 I235 N236 D240 D241 L242 | W160-L238 HydrophobicContact CB-CD1 4.27Å; W160-L238 HydrophobicContact CG-CD1 4.3Å; E234-L238 HydrophobicContact CG-CD1 4.14Å; E234-L238 WeakPolarHBondContact O-CG 3.44Å; E234-L238 PolarHBondContact O-N 3.05Å; E234-L238 VanDerWaalsContact O-N 3.14Å; I235-L238 CarbonylContact O-C 3.55Å; I235-L238 PolarHBondContact O-N 3.4Å; I235-L238 VanDerWaalsContact O-N 3.13Å; N236-L238 VanDerWaalsContact C-N 3.33Å; N236-L238 PolarHBondContact O-N 3.16Å; L238-D240 PolarHBondContact O-N 3.38Å; L238-D241 PolarHBondContact O-N 3.41Å; L238-L242 HydrophobicContact CB-CD1 3.65Å; L238-L242 HydrophobicContact CB-CG 4.08Å; L238-L242 VanDerWaalsContact O-CG 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.36Å; L238-L242 PolarHBondContact O-N 2.91Å |
| 239 | L | 77.6 | Confident | 81.1 | Confident | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -25.3 | -179 | -84.9 | 165.4 | 0 | 0 | 0 | 113.7 | I235 N236 L295 L299 | I235-L239 PolarHBondContact O-N 3.31Å; I235-L239 VanDerWaalsContact O-N 3.13Å; N236-L239 HydrophobicContact CB-CD1 4.5Å; N236-L239 WeakPolarHBondContact O-CD1 3.49Å; N236-L239 WeakPolarHBondContact OD1-CD1 3.36Å; L239-L295 HydrophobicContact CD2-CB 3.61Å; L239-L295 HydrophobicContact CD2-CD1 4.1Å; L239-L295 HydrophobicContact CD2-CG 4.48Å; L239-L299 HydrophobicContact CD1-CD1 4.28Å; L239-L299 HydrophobicContact CD2-CD1 4.46Å |
| 240 | D | 71.2 | Confident | 80.5 | Confident | 126 Ų | 126 | 46.8 Ų | 46.8 | 67% | 0.674 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -32.9 | 178.3 | -76.6 | -32.5 | 0 | 0 | 0 | 113.2 | L238 K292 | L238-D240 PolarHBondContact O-N 3.38Å; D240-K292 PolarHBondContact O-NZ 3.09Å |
| 241 | D | 74 | Confident | 79.9 | Confident | 133 Ų | 133 | 43.1 Ų | 43.1 | 71% | 0.711 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -11.4 | -173.3 | -67.3 | -26.6 | 0 | 0 | 0 | 113.5 | L238 | L238-D241 PolarHBondContact O-N 3.41Š|
| 242 | L | 76.3 | Confident | 79.3 | Confident | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | trans | -104.5 | 132.8 | -172.8 | -62.6 | 174.6 | 0 | 0 | 0 | 112.4 | W160 I168 L238 | W160-L242 HydrophobicContact CB-CD1 3.8Å; W160-L242 HydrophobicContact CB-CD2 3.65Å; W160-L242 HydrophobicContact CB-CG 4.37Å; W160-L242 HydrophobicContact CG-CD1 4.36Å; I168-L242 HydrophobicContact CD1-CD2 4.15Å; L238-L242 HydrophobicContact CB-CD1 3.65Å; L238-L242 HydrophobicContact CB-CG 4.08Å; L238-L242 VanDerWaalsContact O-CG 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.36Å; L238-L242 PolarHBondContact O-N 2.91Å | ||
| 243 | N | 76.6 | Confident | 78.2 | Confident | 127 Ų | 127 | 44.5 Ų | 44.5 | 68% | 0.679 | 25% | 0.249 | S | C | * | . | trans | -99.5 | 114.6 | 167 | -72.2 | -28.3 | 0 | 0 | 0 | 108.8 | P165 | P165-N243 WeakPolarHBondContact CA-O 3.43Å; P165-N243 WeakPolarHBondContact CB-O 3.42Å; P165-N243 WeakPolarHBondContact CG-O 3.36Å | ||
| 244 | I | 80 | Confident | 76.7 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | trans | -106 | 131.2 | 178.8 | -53.3 | -174.2 | 0 | 0 | 0 | 109.2 | I168 Y169 M172 I235 L290 L295 | I168-I244 HydrophobicContact CG2-CD1 3.79Å; I168-I244 HydrophobicContact CG2-CG1 3.83Å; Y169-I244 HydrophobicContact CD2-CG2 4.23Å; M172-I244 HydrophobicContact SD-CD1 4.22Å; I235-I244 HydrophobicContact CG2-CD1 4.14Å; I244-L290 HydrophobicContact CG2-CD1 4.41Å; I244-L290 PolarHBondContact O-N 3.13Å; I244-L290 VanDerWaalsContact O-N 3.1Å; I244-L295 HydrophobicContact CB-CD1 3.9Å; I244-L295 HydrophobicContact CD1-CD1 3.88Å; I244-L295 HydrophobicContact CD1-CD2 4.12Å; I244-L295 HydrophobicContact CG1-CD1 4.09Å; I244-L295 HydrophobicContact CG2-CD2 4.39Å | ||
| 245 | A | 80.8 | Confident | 75 | Confident | 5 Ų | 5 | 46 Ų | 46 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | P165 Y169 S287 I288 | P165-A245 HydrophobicContact CB-CB 3.73Å; P165-A245 PolarHBondContact O-N 3.36Å; Y169-A245 WeakPolarHBondContact CB-O 3.14Å; A245-S287 WeakPolarHBondContact CB-OG 3.48Å; A245-I288 CarbonylContact C-O 3.01Å; A245-I288 WeakPolarHBondContact CA-O 3.08Å |
| 246 | R | 81.2 | Confident | 72.9 | Confident | 16 Ų | 16 | 51.8 Ų | 51.8 | 6% | 0.06 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 133.5 | 177.2 | -174.2 | -172.7 | -68.1 | 167.9 | -5.1 | 109.8 | K101 Y169 S287 I288 D336 E337 | K101-R246 VanDerWaalsContact CD-NH1 3.25Å; Y169-R246 HydrophobicContact CD2-CB 4.43Å; Y169-R246 HydrophobicContact CE1-CG 4.18Å; Y169-R246 HydrophobicContact CE2-CB 4.17Å; Y169-R246 HydrophobicContact CE2-CG 4.07Å; R246-S287 CarbonylContact O-C 3.6Å; R246-S287 VanDerWaalsContact O-CA 3.25Å; R246-S287 WeakPolarHBondContact O-CA 3.41Å; R246-S287 WeakPolarHBondContact O-CB 3.39Å; R246-I288 HydrophobicContact CB-CB 4.45Å; R246-I288 PolarHBondContact N-O 3.25Å; R246-I288 PolarHBondContact O-N 3.44Å; R246-D336 IonicContact NH1-OD2 2.83Å; R246-D336 IonicContact NH2-OD2 2.64Å; R246-E337 IonicContact CZ-OE1 3.31Å; R246-E337 VanDerWaalsContact CZ-OE1 3.24Å; R246-E337 IonicContact NE-OE1 3.24Å; R246-E337 PolarHBondContact NE-OE1 3.13Å; R246-E337 VanDerWaalsContact NE-OE1 3.07Å; R246-E337 IonicContact NH2-OE1 3.16Å; R246-E337 PolarHBondContact NH2-OE1 3.03Å; R246-E337 IonicContact NH2-OE2 3.24Å; R246-E337 PolarHBondContact NH2-OE2 3Å; R246-E337 VanDerWaalsContact NH2-OE2 3.16Å |
| 247 | P | 82.1 | Confident | 70.5 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.019 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 137.7 | -179.8 | 30.2 | -34.2 | 0 | 0 | 0 | 112.2 | F102 Y169 V251 F252 | F102-P247 HydrophobicContact CE2-CG 4.25Å; Y169-P247 VanDerWaalsContact CD1-CD 3.41Å; Y169-P247 HydrophobicContact CD1-CG 4.25Å; Y169-P247 HydrophobicContact CE1-CG 4.3Å; P247-V251 HydrophobicContact CB-CB 4.45Å; P247-V251 HydrophobicContact CB-CG2 4.18Å; P247-F252 HydrophobicContact CB-CE2 3.91Å; P247-F252 HydrophobicContact CB-CZ 3.9Å; P247-F252 HydrophobicContact CG-CE2 4.09Å; P247-F252 HydrophobicContact CG-CZ 4.01Å |
| 248 | L | 79.6 | Confident | 67.9 | Low | 56 Ų | 56 | 55 Ų | 55 | 29% | 0.293 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -80 | 157.1 | 169 | -76.5 | 166.4 | 0 | 0 | 0 | 111.4 | S250 V251 N286 I288 | L248-S250 PolarHBondContact O-N 3.02Å; L248-S250 VanDerWaalsContact O-N 3.13Å; L248-V251 VanDerWaalsContact O-CB 3.27Å; L248-V251 WeakPolarHBondContact O-CB 3.42Å; L248-V251 VanDerWaalsContact O-CG2 3.31Å; L248-V251 WeakPolarHBondContact O-CG2 3.42Å; L248-V251 PolarHBondContact O-N 2.99Å; L248-N286 WeakPolarHBondContact CB-O 3.4Å; L248-N286 PolarHBondContact N-O 3.34Å; L248-N286 VanDerWaalsContact N-O 3.1Å; L248-I288 HydrophobicContact CD2-CD1 3.95Å; L248-I288 HydrophobicContact CD2-CG1 4.22Å; L248-I288 HydrophobicContact CG-CG1 4.36Å |
| 249 | P | 75.2 | Confident | 65.3 | Low | 21 Ų | 21 | 61.2 Ų | 61.2 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -54.8 | -30.6 | 175.1 | -26 | 34.7 | 0 | 0 | 0 | 113.7 | L21 A98 N99 V251 F252 | L21-P249 HydrophobicContact CD1-CB 3.78Å; A98-P249 HydrophobicContact CB-CG 4.17Å; N99-P249 HydrophobicContact CB-CG 4.13Å; P249-V251 PolarHBondContact O-N 3.47Å; P249-F252 PolarHBondContact O-N 3.09Å; P249-F252 VanDerWaalsContact O-N 3.13Å |
| 250 | S | 72.7 | Confident | 62.7 | Low | 45 Ų | 45 | 65.8 Ų | 65.8 | 32% | 0.315 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -60.8 | -26.8 | 177 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | L248 F252 N286 | L248-S250 PolarHBondContact O-N 3.02Å; L248-S250 VanDerWaalsContact O-N 3.13Å; S250-F252 PolarHBondContact O-N 3.27Å; S250-N286 PolarHBondContact OG-OD1 3.36Å; S250-N286 VanDerWaalsContact OG-OD1 3.1Å |
| 251 | V | 73.3 | Confident | 60.6 | Low | 11 Ų | 11 | 65.4 Ų | 65.4 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -61.1 | -31.3 | 176.7 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | F132 M166 P247 L248 P249 S253 N286 | F132-V251 HydrophobicContact CE2-CG1 3.53Å; F132-V251 HydrophobicContact CZ-CG1 3.53Å; M166-V251 HydrophobicContact SD-CG1 4.37Å; M166-V251 HydrophobicContact SD-CG2 4.3Å; P247-V251 HydrophobicContact CB-CB 4.45Å; P247-V251 HydrophobicContact CB-CG2 4.18Å; L248-V251 VanDerWaalsContact O-CB 3.27Å; L248-V251 WeakPolarHBondContact O-CB 3.42Å; L248-V251 VanDerWaalsContact O-CG2 3.31Å; L248-V251 WeakPolarHBondContact O-CG2 3.42Å; L248-V251 PolarHBondContact O-N 2.99Å; P249-V251 PolarHBondContact O-N 3.47Å; V251-S253 PolarHBondContact O-N 2.93Å; V251-N286 HydrophobicContact CG2-CB 3.77Å; V251-N286 WeakPolarHBondContact CG2-O 3.32Å |
| 252 | F | 74.3 | Confident | 58.3 | Low | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.035 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -99.1 | 41.5 | -173.9 | -54.9 | -64.2 | 0 | 0 | 0 | 111.7 | I91 L94 Q95 A98 L125 N128 P247 P249 S250 | I91-F252 HydrophobicContact CG2-CB 4.39Å; I91-F252 WeakPolarHBondContact CG2-O 3.42Å; L94-F252 HydrophobicContact CB-CB 4.31Å; L94-F252 HydrophobicContact CB-CD1 4.06Å; L94-F252 HydrophobicContact CB-CD2 4Å; L94-F252 HydrophobicContact CB-CE1 4.38Å; L94-F252 HydrophobicContact CB-CE2 4.34Å; L94-F252 HydrophobicContact CB-CG 3.85Å; L94-F252 HydrophobicContact CD1-CD1 3.83Å; L94-F252 HydrophobicContact CD1-CE1 3.9Å; L94-F252 HydrophobicContact CD1-CG 4.44Å; Q95-F252 HydrophobicContact CG-CB 3.79Å; Q95-F252 WeakPolarHBondContact CG-O 3.44Å; Q95-F252 PolarHBondContact NE2-O 3.42Å; A98-F252 HydrophobicContact CB-CD2 4.03Å; A98-F252 HydrophobicContact CB-CE2 3.8Å; L125-F252 HydrophobicContact CD1-CZ 3.98Å; N128-F252 HydrophobicContact CB-CE1 4.22Å; P247-F252 HydrophobicContact CB-CE2 3.91Å; P247-F252 HydrophobicContact CB-CZ 3.9Å; P247-F252 HydrophobicContact CG-CE2 4.09Å; P247-F252 HydrophobicContact CG-CZ 4.01Å; P249-F252 PolarHBondContact O-N 3.09Å; P249-F252 VanDerWaalsContact O-N 3.13Å; S250-F252 PolarHBondContact O-N 3.27Å |
| 253 | S | 61.8 | Low | 56.1 | Low | 32 Ų | 32 | 74.7 Ų | 74.7 | 22% | 0.224 | 41% | 0.405 | C | S | . | . | trans | -73.7 | 146.3 | 178.3 | 81.7 | 0 | 0 | 0 | 0 | 112 | V251 Q255 | V251-S253 PolarHBondContact O-N 2.93Å; S253-Q255 PolarHBondContact O-N 3.49Å | ||
| 254 | T | 55.6 | Low | 53.7 | Low | 32 Ų | 32 | 75.3 Ų | 75.3 | 20% | 0.196 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 2 | 176.9 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | P17 N18 I91 D256 | P17-T254 HydrophobicContact CB-CG2 3.85Å; N18-T254 PolarHBondContact OD1-OG1 3.42Å; I91-T254 HydrophobicContact CG2-CG2 3.93Å; T254-D256 VanDerWaalsContact C-N 3.29Å; T254-D256 PolarHBondContact O-N 3.14Å |
| 255 | Q | 46.8 | Very low | 51.4 | Low | 139 Ų | 139 | 81.4 Ų | 81.4 | 65% | 0.65 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17.7 | -176.6 | -79.4 | 176.7 | -33.4 | 0 | 0 | 113.5 | S253 S257 | S253-Q255 PolarHBondContact O-N 3.49Å; Q255-S257 PolarHBondContact O-N 2.71Å |
| 256 | D | 41.4 | Very low | 48.8 | Very low | 123 Ų | 123 | 87.9 Ų | 87.9 | 66% | 0.658 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 40.6 | -173.3 | -72.4 | -21.7 | 0 | 0 | 0 | 115.5 | T254 | T254-D256 VanDerWaalsContact C-N 3.29Å; T254-D256 PolarHBondContact O-N 3.14Å |
| 257 | S | 35.1 | Very low | 46.2 | Very low | 71 Ų | 71 | 93.3 Ų | 93.3 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137 | 10.8 | 167.2 | 77.6 | 0 | 0 | 0 | 0 | 117.2 | Q255 | Q255-S257 PolarHBondContact O-N 2.71Š|
| 258 | M | 27.3 | Very low | 43.7 | Very low | 119 Ų | 119 | 101.3 Ų | 101.3 | 59% | 0.586 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -124.4 | 132 | 160 | -83.1 | -173.8 | 167.6 | 0 | 0 | 107.7 | ||
| 259 | F | 27.5 | Very low | 41.2 | Very low | 188 Ų | 188 | 104.3 Ų | 104.3 | 83% | 0.825 | 56% | 0.561 | S | S | * | * | trans | 87.7 | 79 | 179.5 | -49.8 | -73.2 | 0 | 0 | 0 | 116.6 | ||||
| 260 | S | 24.4 | Very low | 39.1 | Very low | 112 Ų | 112 | 107.7 Ų | 107.7 | 78% | 0.783 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -64.2 | 136.5 | 139.3 | -153.5 | 0 | 0 | 0 | 0 | 107.9 | ||
| 261 | T | 26.6 | Very low | 37 | Very low | 117 Ų | 117 | 113.8 Ų | 113.8 | 72% | 0.718 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 77.4 | 133 | 179 | 73.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 262 | V | 26.4 | Very low | 35 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 76% | 0.764 | 65% | 0.648 | S | S | * | * | trans | 92 | 71.2 | 170.5 | -161.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 263 | F | 28.9 | Very low | 33 | Very low | 211 Ų | 211 | 128 Ų | 128 | 93% | 0.925 | 69% | 0.685 | S | S | * | * | trans | -152.7 | 77.1 | 143.4 | -89.4 | -71.3 | 0 | 0 | 0 | 110.5 | ||||
| 264 | E | 26 | Very low | 31.5 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 66% | 0.659 | 71% | 0.711 | S | S | * | * | trans | -63.1 | 129.3 | 150.2 | -79.6 | -176 | 145.4 | 0 | 0 | 107.9 | K266 | E264-K266 VanDerWaalsContact C-N 3.29Å; E264-K266 PolarHBondContact O-N 3.18Å; E264-K266 IonicContact OE1-NZ 3.43Å; E264-K266 PolarHBondContact OE1-NZ 2.96Å; E264-K266 IonicContact OE2-NZ 2.75Å; E264-K266 PolarHBondContact OE2-NZ 3.3Å | ||
| 265 | P | 31.1 | Very low | 30.2 | Very low | 134 Ų | 134 | 139 Ų | 139 | 87% | 0.87 | 74% | 0.735 | S | S | * | * | trans | -79.7 | 85.5 | 160.2 | 31.9 | -26.8 | 0 | 0 | 0 | 107.8 | ||||
| 266 | K | 26.5 | Very low | 29.5 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 61% | 0.613 | 75% | 0.745 | S | S | * | * | trans | -83.9 | 129.5 | 157.8 | -92.6 | -172 | -178.6 | 103 | 0 | 109 | E264 | E264-K266 VanDerWaalsContact C-N 3.29Å; E264-K266 PolarHBondContact O-N 3.18Å; E264-K266 IonicContact OE1-NZ 3.43Å; E264-K266 PolarHBondContact OE1-NZ 2.96Å; E264-K266 IonicContact OE2-NZ 2.75Å; E264-K266 PolarHBondContact OE2-NZ 3.3Å | ||
| 267 | N | 27.6 | Very low | 29.1 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | trans | 114.6 | 132.5 | 156.8 | -61.5 | -33.6 | 0 | 0 | 0 | 113.9 | ||||
| 268 | K | 29.9 | Very low | 29.2 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | cis | -167.8 | 135.2 | 2.9 | -109.5 | 162.2 | -170.5 | 176 | 0 | 107.3 | ||||
| 269 | S | 27.3 | Very low | 29.8 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | 56.6 | 108.2 | 150.2 | 61.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 270 | A | 30 | Very low | 30.6 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | 159.1 | 86.9 | 114.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 271 | Q | 29.5 | Very low | 31.4 | Very low | 174 Ų | 174 | 135.1 Ų | 135.1 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | 74.6 | 117.8 | 105.8 | -103.5 | -177.2 | -40.5 | 0 | 0 | 113.2 | |||||
| 272 | E | 30.2 | Very low | 32.5 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | trans | 77.7 | 110.8 | 166.4 | -55.7 | 169.5 | -171.3 | 0 | 0 | 112.5 | ||||
| 273 | D | 33.1 | Very low | 33.7 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 81% | 0.807 | 69% | 0.692 | S | S | * | * | cis | -156.3 | 164.3 | 31.3 | -94 | -39.3 | 0 | 0 | 0 | 112.5 | ||||
| 274 | Q | 30.2 | Very low | 34.8 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 77% | 0.771 | 68% | 0.68 | S | S | * | * | trans | -55.2 | 133.4 | -177 | -59.4 | 166.4 | 1.5 | 0 | 0 | 113.3 | ||||
| 275 | N | 28.9 | Very low | 36.3 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 70% | 0.695 | 68% | 0.68 | S | S | * | * | trans | 142.9 | 107.2 | 140.5 | -68.2 | -29.6 | 0 | 0 | 0 | 113.6 | N277 | N275-N277 PolarHBondContact O-N 3.19Š| ||
| 276 | H | 32.3 | Very low | 37.8 | Very low | 186 Ų | 186 | 121 Ų | 121 | 86% | 0.861 | 65% | 0.647 | S | S | * | * | trans | 22.6 | 85.2 | 153.6 | -62.3 | -74.2 | 0 | 0 | 0 | 119.6 | ||||
| 277 | N | 33.1 | Very low | 39.9 | Very low | 123 Ų | 123 | 114.8 Ų | 114.8 | 66% | 0.658 | 62% | 0.622 | S | S | * | * | trans | -150.5 | 46.4 | 175.7 | -89.5 | -24.4 | 0 | 0 | 0 | 115.4 | N275 S280 | N275-N277 PolarHBondContact O-N 3.19Å; N277-S280 WeakPolarHBondContact CB-OG 3.31Å; N277-S280 PolarHBondContact O-OG 3.1Å | ||
| 278 | G | 37 | Very low | 42.3 | Very low | 75 Ų | 75 | 112.4 Ų | 112.4 | 77% | 0.773 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -22.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 279 | L | 39.7 | Very low | 44.5 | Very low | 151 Ų | 151 | 109.2 Ų | 109.2 | 79% | 0.791 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -19.4 | 179.8 | -101.6 | 142.9 | 0 | 0 | 0 | 112.7 | D281 | L279-D281 VanDerWaalsContact C-N 3.35Š|
| 280 | S | 43.2 | Very low | 47 | Very low | 39 Ų | 39 | 104.9 Ų | 104.9 | 27% | 0.273 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.6 | -35.9 | 176.1 | 44.3 | 0 | 0 | 0 | 0 | 112.3 | N277 F282 V283 L284 | N277-S280 WeakPolarHBondContact CB-OG 3.31Å; N277-S280 PolarHBondContact O-OG 3.1Å; S280-F282 PolarHBondContact O-N 3.35Å; S280-V283 PolarHBondContact O-N 3.05Å; S280-L284 WeakPolarHBondContact O-CB 3.33Å; S280-L284 WeakPolarHBondContact O-CD1 3.45Å; S280-L284 WeakPolarHBondContact O-CG 3.17Å; S280-L284 PolarHBondContact O-N 3Å |
| 281 | D | 42.8 | Very low | 49.5 | Very low | 96 Ų | 96 | 103 Ų | 103 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.9 | -32.3 | -175 | -74.3 | -1.3 | 0 | 0 | 0 | 113.4 | L279 N285 | L279-D281 VanDerWaalsContact C-N 3.35Å; D281-N285 PolarHBondContact O-N 2.93Å; D281-N285 PolarHBondContact O-ND2 2.94Å |
| 282 | F | 49.2 | Very low | 52 | Low | 110 Ų | 110 | 99.6 Ų | 99.6 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73 | -35.4 | 176.8 | -165.6 | -91.9 | 0 | 0 | 0 | 112 | S280 N286 | S280-F282 PolarHBondContact O-N 3.35Å; F282-N286 PolarHBondContact O-N 2.98Å |
| 283 | V | 51.7 | Low | 54.6 | Low | 39 Ų | 39 | 92.9 Ų | 92.9 | 24% | 0.236 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -72.1 | -38.4 | 176.4 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | S280 S287 | S280-V283 PolarHBondContact O-N 3.05Å; V283-S287 WeakPolarHBondContact O-CB 3.22Å; V283-S287 PolarHBondContact O-N 2.79Å; V283-S287 PolarHBondContact O-OG 3.45Å |
| 284 | L | 51 | Low | 57.1 | Low | 127 Ų | 127 | 86.7 Ų | 86.7 | 67% | 0.665 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.1 | -35.3 | 178 | -86.1 | 155.5 | 0 | 0 | 0 | 113.7 | S280 | S280-L284 WeakPolarHBondContact O-CB 3.33Å; S280-L284 WeakPolarHBondContact O-CD1 3.45Å; S280-L284 WeakPolarHBondContact O-CG 3.17Å; S280-L284 PolarHBondContact O-N 3Å |
| 285 | N | 57.2 | Low | 59.7 | Low | 124 Ų | 124 | 79 Ų | 79 | 66% | 0.663 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -86.1 | -20.9 | -175.7 | -73.4 | -22 | 0 | 0 | 0 | 114.4 | D281 | D281-N285 PolarHBondContact O-N 2.93Å; D281-N285 PolarHBondContact O-ND2 2.94Å |
| 286 | N | 63.5 | Low | 62.4 | Low | 32 Ų | 32 | 73.7 Ų | 73.7 | 17% | 0.171 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -120.8 | 7.6 | -171.3 | -71.4 | -32.7 | 0 | 0 | 0 | 114.2 | L248 S250 V251 F282 | L248-N286 WeakPolarHBondContact CB-O 3.4Å; L248-N286 PolarHBondContact N-O 3.34Å; L248-N286 VanDerWaalsContact N-O 3.1Å; S250-N286 PolarHBondContact OG-OD1 3.36Å; S250-N286 VanDerWaalsContact OG-OD1 3.1Å; V251-N286 HydrophobicContact CG2-CB 3.77Å; V251-N286 WeakPolarHBondContact CG2-O 3.32Å; F282-N286 PolarHBondContact O-N 2.98Å |
| 287 | S | 71.3 | Confident | 65 | Low | 12 Ų | 12 | 64.8 Ų | 64.8 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 152.3 | 178.5 | 76.8 | 0 | 0 | 0 | 0 | 113.1 | A245 R246 V283 | A245-S287 WeakPolarHBondContact CB-OG 3.48Å; R246-S287 CarbonylContact O-C 3.6Å; R246-S287 VanDerWaalsContact O-CA 3.25Å; R246-S287 WeakPolarHBondContact O-CA 3.41Å; R246-S287 WeakPolarHBondContact O-CB 3.39Å; V283-S287 WeakPolarHBondContact O-CB 3.22Å; V283-S287 PolarHBondContact O-N 2.79Å; V283-S287 PolarHBondContact O-OG 3.45Å |
| 288 | I | 77.2 | Confident | 67.6 | Low | 79 Ų | 79 | 59 Ų | 59 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114.3 | 176.3 | -58.2 | 170.2 | 0 | 0 | 0 | 108.1 | A245 R246 L248 | A245-I288 CarbonylContact C-O 3.01Å; A245-I288 WeakPolarHBondContact CA-O 3.08Å; R246-I288 HydrophobicContact CB-CB 4.45Å; R246-I288 PolarHBondContact N-O 3.25Å; R246-I288 PolarHBondContact O-N 3.44Å; L248-I288 HydrophobicContact CD2-CD1 3.95Å; L248-I288 HydrophobicContact CD2-CG1 4.22Å; L248-I288 HydrophobicContact CG-CG1 4.36Å |
| 289 | P | 77 | Confident | 70 | Confident | 104 Ų | 104 | 55.5 Ų | 55.5 | 68% | 0.675 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 132.9 | 175.1 | 27.4 | -32.8 | 0 | 0 | 0 | 110.5 | ||
| 290 | L | 79.5 | Confident | 72.5 | Confident | 27 Ų | 27 | 48.6 Ų | 48.6 | 14% | 0.141 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 142.7 | 176.6 | -68.3 | 169 | 0 | 0 | 0 | 110.2 | Y169 I244 Y294 L295 | Y169-L290 HydrophobicContact CD2-CD1 3.97Å; Y169-L290 HydrophobicContact CE2-CD1 3.98Å; I244-L290 HydrophobicContact CG2-CD1 4.41Å; I244-L290 PolarHBondContact O-N 3.13Å; I244-L290 VanDerWaalsContact O-N 3.1Å; L290-Y294 HydrophobicContact CD2-CD1 4.01Å; L290-Y294 HydrophobicContact CD2-CE1 3.93Å; L290-L295 HydrophobicContact CB-CD1 4.01Å; L290-L295 HydrophobicContact CB-CD2 4.2Å; L290-L295 HydrophobicContact CB-CG 3.99Å; L290-L295 HydrophobicContact CD1-CD2 3.82Å |
| 291 | S | 81.9 | Confident | 74.7 | Confident | 53 Ų | 53 | 46.7 Ų | 46.7 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 147.5 | 176.7 | 72.4 | 0 | 0 | 0 | 0 | 111 | S293 Y294 L295 | S291-S293 VanDerWaalsContact C-N 3.31Å; S291-S293 PolarHBondContact O-N 3.15Å; S291-S293 PolarHBondContact OG-OG 3.39Å; S291-Y294 WeakPolarHBondContact O-CB 3.17Å; S291-Y294 PolarHBondContact O-N 3.22Å; S291-Y294 VanDerWaalsContact O-N 3.15Å; S291-Y294 WeakPolarHBondContact OG-CB 3.48Å; S291-Y294 PolarHBondContact OG-N 3.37Å; S291-L295 PolarHBondContact O-N 3.33Å; S291-L295 VanDerWaalsContact O-N 3.09Å |
| 292 | K | 83 | Confident | 76.9 | Confident | 102 Ų | 102 | 42.8 Ų | 42.8 | 44% | 0.443 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.3 | -43.9 | 179.3 | -66 | -175.2 | 168.6 | -167.7 | 0 | 112.1 | D240 Y294 L295 S296 | D240-K292 PolarHBondContact O-NZ 3.09Å; K292-Y294 VanDerWaalsContact C-N 3.32Å; K292-Y294 PolarHBondContact O-N 3.48Å; K292-L295 PolarHBondContact O-N 3.47Å; K292-S296 WeakPolarHBondContact O-CB 3.36Å; K292-S296 PolarHBondContact O-N 2.96Å |
| 293 | S | 83.7 | Confident | 78.8 | Confident | 25 Ų | 25 | 37.9 Ų | 37.9 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -36.5 | 176.8 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | S291 A297 | S291-S293 VanDerWaalsContact C-N 3.31Å; S291-S293 PolarHBondContact O-N 3.15Å; S291-S293 PolarHBondContact OG-OG 3.39Å; S293-A297 WeakPolarHBondContact O-CB 3.42Å; S293-A297 PolarHBondContact O-N 3.36Å |
| 294 | Y | 85.5 | Confident | 80.6 | Confident | 22 Ų | 22 | 36 Ų | 36 | 9% | 0.086 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.8 | -42.5 | 176.6 | -176.1 | -92.7 | 0 | 0 | 0 | 111.9 | L290 S291 K292 S298 F332 L335 D336 E337 | L290-Y294 HydrophobicContact CD2-CD1 4.01Å; L290-Y294 HydrophobicContact CD2-CE1 3.93Å; S291-Y294 WeakPolarHBondContact O-CB 3.17Å; S291-Y294 PolarHBondContact O-N 3.22Å; S291-Y294 VanDerWaalsContact O-N 3.15Å; S291-Y294 WeakPolarHBondContact OG-CB 3.48Å; S291-Y294 PolarHBondContact OG-N 3.37Å; K292-Y294 VanDerWaalsContact C-N 3.32Å; K292-Y294 PolarHBondContact O-N 3.48Å; Y294-S298 WeakPolarHBondContact O-CB 3.33Å; Y294-S298 PolarHBondContact O-N 3.02Å; Y294-S298 PolarHBondContact O-OG 2.92Å; Y294-F332 HydrophobicContact CD2-CD1 4.11Å; Y294-F332 HydrophobicContact CD2-CE1 4.04Å; Y294-F332 HydrophobicContact CD2-CG 4.4Å; Y294-F332 HydrophobicContact CD2-CZ 4.25Å; Y294-L335 HydrophobicContact CD2-CD2 3.71Å; Y294-L335 HydrophobicContact CE2-CD2 3.63Å; Y294-L335 HydrophobicContact CG-CD2 4.47Å; Y294-D336 WeakPolarHBondContact OH-CB 3.47Å; Y294-D336 PolarHBondContact OH-N 3.27Å; Y294-E337 WeakPolarHBondContact CE1-OE2 3.01Å; Y294-E337 PolarHBondContact OH-OE2 3.38Å |
| 295 | L | 84.2 | Confident | 82.3 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.6 | -47.4 | 177.2 | -70.3 | 161.5 | 0 | 0 | 0 | 111.5 | M172 L239 I244 L290 S291 K292 A297 S298 L299 | M172-L295 HydrophobicContact CE-CD2 3.93Å; M172-L295 HydrophobicContact SD-CD2 3.82Å; L239-L295 HydrophobicContact CD2-CB 3.61Å; L239-L295 HydrophobicContact CD2-CD1 4.1Å; L239-L295 HydrophobicContact CD2-CG 4.48Å; I244-L295 HydrophobicContact CB-CD1 3.9Å; I244-L295 HydrophobicContact CD1-CD1 3.88Å; I244-L295 HydrophobicContact CD1-CD2 4.12Å; I244-L295 HydrophobicContact CG1-CD1 4.09Å; I244-L295 HydrophobicContact CG2-CD2 4.39Å; L290-L295 HydrophobicContact CB-CD1 4.01Å; L290-L295 HydrophobicContact CB-CD2 4.2Å; L290-L295 HydrophobicContact CB-CG 3.99Å; L290-L295 HydrophobicContact CD1-CD2 3.82Å; S291-L295 PolarHBondContact O-N 3.33Å; S291-L295 VanDerWaalsContact O-N 3.09Å; K292-L295 PolarHBondContact O-N 3.47Å; L295-A297 PolarHBondContact O-N 3.16Å; L295-S298 WeakPolarHBondContact CA-OG 3.32Å; L295-S298 PolarHBondContact O-N 3.44Å; L295-S298 PolarHBondContact O-OG 3.3Å; L295-L299 WeakPolarHBondContact O-CB 3.24Å; L295-L299 WeakPolarHBondContact O-CG 3.5Å; L295-L299 PolarHBondContact O-N 3.27Å |
| 296 | S | 87.3 | Confident | 83.8 | Confident | 17 Ų | 17 | 27.1 Ų | 27.1 | 12% | 0.119 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.4 | -48.3 | 176 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | K292 S298 L299 N300 E326 | K292-S296 WeakPolarHBondContact O-CB 3.36Å; K292-S296 PolarHBondContact O-N 2.96Å; S296-S298 VanDerWaalsContact C-N 3.33Å; S296-S298 PolarHBondContact O-N 3Å; S296-L299 PolarHBondContact O-N 3.43Å; S296-N300 VanDerWaalsContact O-CB 3.26Å; S296-N300 WeakPolarHBondContact O-CB 3.2Å; S296-N300 VanDerWaalsContact O-CG 3.32Å; S296-N300 PolarHBondContact O-N 3.11Å; S296-N300 PolarHBondContact O-ND2 3.34Å; S296-N300 PolarHBondContact OG-ND2 2.89Å; S296-E326 WeakPolarHBondContact CB-OE1 3.45Å; S296-E326 WeakPolarHBondContact CB-OE2 3.13Å; S296-E326 PolarHBondContact OG-OE1 2.75Å; S296-E326 PolarHBondContact OG-OE2 3.11Å |
| 297 | A | 86.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S293 L295 F301 E326 M327 L335 | S293-A297 WeakPolarHBondContact O-CB 3.42Å; S293-A297 PolarHBondContact O-N 3.36Å; L295-A297 PolarHBondContact O-N 3.16Å; A297-F301 VanDerWaalsContact O-CB 3.25Å; A297-F301 WeakPolarHBondContact O-CB 3.27Å; A297-F301 PolarHBondContact O-N 3.21Å; A297-E326 VanDerWaalsContact CA-OE2 3.29Å; A297-E326 WeakPolarHBondContact CA-OE2 3.44Å; A297-E326 HydrophobicContact CB-CB 4.17Å; A297-E326 PolarHBondContact N-OE2 3.35Å; A297-M327 HydrophobicContact CB-CG 4.12Å; A297-L335 HydrophobicContact CB-CD1 3.97Å; A297-L335 HydrophobicContact CB-CD2 4.5Å |
| 298 | S | 86.5 | Confident | 85.6 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.6 | -43.5 | 179.2 | 74.7 | 0 | 0 | 0 | 0 | 112.8 | Y294 L295 S296 V302 | Y294-S298 WeakPolarHBondContact O-CB 3.33Å; Y294-S298 PolarHBondContact O-N 3.02Å; Y294-S298 PolarHBondContact O-OG 2.92Å; L295-S298 WeakPolarHBondContact CA-OG 3.32Å; L295-S298 PolarHBondContact O-N 3.44Å; L295-S298 PolarHBondContact O-OG 3.3Å; S296-S298 VanDerWaalsContact C-N 3.33Å; S296-S298 PolarHBondContact O-N 3Å; S298-V302 VanDerWaalsContact O-CG2 3.24Å; S298-V302 WeakPolarHBondContact O-CG2 3.35Å; S298-V302 PolarHBondContact O-N 2.86Å; S298-V302 VanDerWaalsContact O-N 3.16Å |
| 299 | L | 88.6 | Confident | 86 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.3 | -45.8 | -179.6 | -69.4 | 175.2 | 0 | 0 | 0 | 111.1 | M172 I176 L232 I235 N236 L239 L295 S296 F301 V302 L303 | M172-L299 HydrophobicContact CG-CD2 4.28Å; M172-L299 HydrophobicContact SD-CD2 4.39Å; I176-L299 HydrophobicContact CD1-CD2 4.44Å; L232-L299 HydrophobicContact CD2-CD2 3.72Å; I235-L299 HydrophobicContact CG2-CD1 3.98Å; N236-L299 HydrophobicContact CB-CD1 4.17Å; L239-L299 HydrophobicContact CD1-CD1 4.28Å; L239-L299 HydrophobicContact CD2-CD1 4.46Å; L295-L299 WeakPolarHBondContact O-CB 3.24Å; L295-L299 WeakPolarHBondContact O-CG 3.5Å; L295-L299 PolarHBondContact O-N 3.27Å; S296-L299 PolarHBondContact O-N 3.43Å; L299-F301 VanDerWaalsContact C-N 3.32Å; L299-F301 PolarHBondContact O-N 3.26Å; L299-V302 PolarHBondContact O-N 3.37Å; L299-L303 WeakPolarHBondContact O-CB 3.26Å; L299-L303 VanDerWaalsContact O-CG 3.27Å; L299-L303 WeakPolarHBondContact O-CG 3.11Å; L299-L303 PolarHBondContact O-N 3.09Å |
| 300 | N | 90.9 | Very high | 86.3 | Confident | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.032 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.6 | -36.7 | 177.9 | -72.6 | -44.7 | 0 | 0 | 0 | 111.9 | N236 S296 G304 I322 A323 | N236-N300 PolarHBondContact ND2-OD1 2.88Å; N236-N300 VanDerWaalsContact ND2-OD1 3.09Å; S296-N300 VanDerWaalsContact O-CB 3.26Å; S296-N300 WeakPolarHBondContact O-CB 3.2Å; S296-N300 VanDerWaalsContact O-CG 3.32Å; S296-N300 PolarHBondContact O-N 3.11Å; S296-N300 PolarHBondContact O-ND2 3.34Å; S296-N300 PolarHBondContact OG-ND2 2.89Å; N300-G304 WeakPolarHBondContact O-CA 3.47Å; N300-G304 PolarHBondContact O-N 3.42Å; N300-I322 WeakPolarHBondContact ND2-CG2 3.3Å; N300-A323 HydrophobicContact CB-CB 3.97Å |
| 301 | F | 90.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.2 | -46.4 | 172.9 | 173 | -98.5 | 0 | 0 | 0 | 112.6 | A297 L299 G304 R305 F320 A323 A338 A340 L344 L345 Y348 | A297-F301 VanDerWaalsContact O-CB 3.25Å; A297-F301 WeakPolarHBondContact O-CB 3.27Å; A297-F301 PolarHBondContact O-N 3.21Å; L299-F301 VanDerWaalsContact C-N 3.32Å; L299-F301 PolarHBondContact O-N 3.26Å; F301-G304 PolarHBondContact O-N 2.97Å; F301-R305 HydrophobicContact CE1-CG 4.37Å; F301-R305 HydrophobicContact CE2-CG 4.38Å; F301-R305 HydrophobicContact CZ-CG 4.23Å; F301-R305 WeakPolarHBondContact O-CG 3.41Å; F301-R305 PolarHBondContact O-N 3.39Å; F301-F320 HydrophobicContact CD2-CD1 4.24Å; F301-F320 AromaticContact CD2-CE1 3.96Å; F301-F320 HydrophobicContact CD2-CE1 3.96Å; F301-F320 HydrophobicContact CE2-CE1 4.36Å; F301-A323 HydrophobicContact CB-CB 4.34Å; F301-A338 HydrophobicContact CD1-CB 3.85Å; F301-A338 HydrophobicContact CE1-CB 4.32Å; F301-A338 WeakPolarHBondContact CE1-O 3.16Å; F301-A340 HydrophobicContact CB-CB 4.48Å; F301-A340 HydrophobicContact CD1-CB 3.64Å; F301-A340 HydrophobicContact CD2-CB 3.78Å; F301-A340 HydrophobicContact CE1-CB 3.57Å; F301-A340 HydrophobicContact CE2-CB 3.75Å; F301-A340 HydrophobicContact CG-CB 3.7Å; F301-A340 HydrophobicContact CZ-CB 3.61Å; F301-L344 HydrophobicContact CE2-CD2 4.12Å; F301-L344 HydrophobicContact CE2-CG 4.34Å; F301-L344 HydrophobicContact CZ-CD2 3.68Å; F301-L344 HydrophobicContact CZ-CG 4.37Å; F301-L345 HydrophobicContact CD2-CD1 3.56Å; F301-L345 HydrophobicContact CD2-CD2 4.46Å; F301-L345 HydrophobicContact CD2-CG 3.81Å; F301-L345 HydrophobicContact CE2-CD1 3.81Å; F301-L345 HydrophobicContact CE2-CG 4.24Å; F301-L345 HydrophobicContact CG-CD1 4.46Å; F301-Y348 HydrophobicContact CE2-CD2 4.24Å; F301-Y348 HydrophobicContact CE2-CE2 4.26Å; F301-Y348 HydrophobicContact CZ-CE2 4.48Å |
| 302 | V | 87.6 | Confident | 86.5 | Confident | 13 Ų | 13 | 34 Ų | 34 | 8% | 0.079 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66 | -43.4 | -179.5 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | I176 L179 L232 S298 L299 R305 Y306 A338 | I176-V302 HydrophobicContact CG2-CG1 4.47Å; I176-V302 HydrophobicContact CG2-CG2 3.95Å; L179-V302 HydrophobicContact CB-CG1 3.97Å; L179-V302 HydrophobicContact CD1-CG1 3.51Å; L179-V302 HydrophobicContact CG-CG1 4.39Å; L232-V302 HydrophobicContact CD1-CG1 4.47Å; S298-V302 VanDerWaalsContact O-CG2 3.24Å; S298-V302 WeakPolarHBondContact O-CG2 3.35Å; S298-V302 PolarHBondContact O-N 2.86Å; S298-V302 VanDerWaalsContact O-N 3.16Å; L299-V302 PolarHBondContact O-N 3.37Å; V302-R305 PolarHBondContact O-N 3.25Å; V302-Y306 PolarHBondContact O-N 2.98Å; V302-Y306 VanDerWaalsContact O-N 3.11Å; V302-A338 HydrophobicContact CG2-CB 3.88Å |
| 303 | L | 90.3 | Very high | 86.6 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.8 | -38.2 | 174.9 | -69.1 | 168.8 | 0 | 0 | 0 | 111.7 | V229 L232 N233 L299 Y306 A307 L319 | V229-L303 HydrophobicContact CG1-CD2 4.04Å; L232-L303 HydrophobicContact CB-CD2 4.32Å; N233-L303 VanDerWaalsContact OD1-CD1 3.22Å; N233-L303 WeakPolarHBondContact OD1-CD1 3.44Å; L299-L303 WeakPolarHBondContact O-CB 3.26Å; L299-L303 VanDerWaalsContact O-CG 3.27Å; L299-L303 WeakPolarHBondContact O-CG 3.11Å; L299-L303 PolarHBondContact O-N 3.09Å; L303-Y306 PolarHBondContact O-N 3.41Å; L303-A307 PolarHBondContact O-N 2.87Å; L303-L319 HydrophobicContact CB-CD1 3.95Å |
| 304 | G | 89.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N300 F301 Y306 A307 F308 S316 | N300-G304 WeakPolarHBondContact O-CA 3.47Å; N300-G304 PolarHBondContact O-N 3.42Å; F301-G304 PolarHBondContact O-N 2.97Å; G304-Y306 VanDerWaalsContact C-N 3.33Å; G304-Y306 PolarHBondContact O-N 3.49Å; G304-A307 PolarHBondContact O-N 2.61Å; G304-F308 WeakPolarHBondContact O-CB 3.49Å; G304-F308 PolarHBondContact O-N 3.05Å; G304-S316 PolarHBondContact O-OG 3.46Å |
| 305 | R | 87 | Confident | 86.6 | Confident | 35 Ų | 35 | 37.4 Ų | 37.4 | 13% | 0.132 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 174.6 | -72.1 | -176.8 | 81.1 | 170.5 | 10.1 | 112.8 | H183 F301 V302 F308 Q309 F320 Y348 | H183-R305 PolarHBondContact CD2-NE 2.9Å; H183-R305 PolarHBondContact CE1-NH2 2.97Å; H183-R305 PolarHBondContact ND1-NH2 3.36Å; H183-R305 PolarHBondContact NE2-NE 3.42Å; H183-R305 PolarHBondContact NE2-NH2 3.05Å; F301-R305 HydrophobicContact CE1-CG 4.37Å; F301-R305 HydrophobicContact CE2-CG 4.38Å; F301-R305 HydrophobicContact CZ-CG 4.23Å; F301-R305 WeakPolarHBondContact O-CG 3.41Å; F301-R305 PolarHBondContact O-N 3.39Å; V302-R305 PolarHBondContact O-N 3.25Å; R305-F308 WeakPolarHBondContact O-CB 3.23Å; R305-F308 PolarHBondContact O-N 3Å; R305-Q309 PolarHBondContact O-N 3.12Å; R305-F320 HydrophobicContact CB-CZ 4.49Å; R305-F320 HydrophobicContact CG-CE1 4.02Å; R305-F320 HydrophobicContact CG-CZ 3.94Å; R305-F320 VanDerWaalsContact N-CZ 3.35Å; R305-Y348 HydrophobicContact CG-CE2 4.18Å; R305-Y348 PolarHBondContact NE-OH 2.95Å; R305-Y348 VanDerWaalsContact NE-OH 3.12Å; R305-Y348 PolarHBondContact NH2-OH 3.45Å |
| 306 | Y | 87.6 | Confident | 86.8 | Confident | 29 Ų | 29 | 37.2 Ų | 37.2 | 11% | 0.114 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.8 | -44.6 | 175.2 | 178.7 | -105.9 | 0 | 0 | 0 | 111.8 | L179 I225 Q226 V229 V302 L303 G304 F308 Q309 Q310 | L179-Y306 HydrophobicContact CD2-CD2 3.79Å; L179-Y306 HydrophobicContact CD2-CE2 4.34Å; L179-Y306 HydrophobicContact CD2-CG 4.11Å; I225-Y306 HydrophobicContact CG2-CD2 4.09Å; I225-Y306 HydrophobicContact CG2-CE2 3.34Å; Q226-Y306 PolarHBondContact OE1-OH 3.37Å; V229-Y306 HydrophobicContact CB-CE1 4.46Å; V229-Y306 HydrophobicContact CG1-CD1 4.32Å; V229-Y306 HydrophobicContact CG1-CE1 4.25Å; V229-Y306 HydrophobicContact CG2-CD1 3.7Å; V229-Y306 HydrophobicContact CG2-CD2 4.43Å; V229-Y306 HydrophobicContact CG2-CE1 3.56Å; V229-Y306 HydrophobicContact CG2-CE2 4.32Å; V229-Y306 HydrophobicContact CG2-CG 4.12Å; V302-Y306 PolarHBondContact O-N 2.98Å; V302-Y306 VanDerWaalsContact O-N 3.11Å; L303-Y306 PolarHBondContact O-N 3.41Å; G304-Y306 VanDerWaalsContact C-N 3.33Å; G304-Y306 PolarHBondContact O-N 3.49Å; Y306-F308 VanDerWaalsContact C-N 3.28Å; Y306-F308 PolarHBondContact O-N 3.31Å; Y306-Q309 WeakPolarHBondContact O-CB 3.22Å; Y306-Q309 PolarHBondContact O-N 3.3Å; Y306-Q309 VanDerWaalsContact O-N 3.12Å; Y306-Q310 HydrophobicContact CD1-CG 4.44Å; Y306-Q310 HydrophobicContact CE1-CG 3.96Å; Y306-Q310 HydrophobicContact CE2-CG 4.07Å; Y306-Q310 WeakPolarHBondContact O-CG 3.42Å; Y306-Q310 PolarHBondContact O-N 2.96Å; Y306-Q310 PolarHBondContact OH-NE2 3Å |
| 307 | A | 87.3 | Confident | 86.9 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.017 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.8 | -38.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L303 G304 Q310 Q311 Q312 Q315 L319 | L303-A307 PolarHBondContact O-N 2.87Å; G304-A307 PolarHBondContact O-N 2.61Å; A307-Q310 CarbonylContact O-C 3.4Å; A307-Q310 PolarHBondContact O-N 3.12Å; A307-Q311 PolarHBondContact O-N 2.93Å; A307-Q312 HydrophobicContact CB-CB 4.48Å; A307-Q312 PolarHBondContact O-N 3.33Å; A307-Q315 HydrophobicContact CB-CG 4.35Å; A307-L319 HydrophobicContact CB-CD1 4.45Å |
| 308 | F | 86.7 | Confident | 87 | Confident | 51 Ų | 51 | 46.2 Ų | 46.2 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 172.5 | -168.1 | -91.2 | 0 | 0 | 0 | 112 | G304 R305 Y306 Q310 Q311 F313 F320 Y348 A351 Y355 | G304-F308 WeakPolarHBondContact O-CB 3.49Å; G304-F308 PolarHBondContact O-N 3.05Å; R305-F308 WeakPolarHBondContact O-CB 3.23Å; R305-F308 PolarHBondContact O-N 3Å; Y306-F308 VanDerWaalsContact C-N 3.28Å; Y306-F308 PolarHBondContact O-N 3.31Å; F308-Q310 VanDerWaalsContact C-N 3.29Å; F308-Q310 PolarHBondContact O-N 3.42Å; F308-Q311 PolarHBondContact O-N 3.45Å; F308-Q311 VanDerWaalsContact O-N 3.14Å; F308-F313 HydrophobicContact CD2-CD1 4.13Å; F308-F313 HydrophobicContact CD2-CE1 4.19Å; F308-F313 HydrophobicContact CE2-CD1 4.13Å; F308-F313 AromaticContact CE2-CE1 3.97Å; F308-F313 HydrophobicContact CE2-CE1 3.97Å; F308-F313 HydrophobicContact CZ-CE1 4.39Å; F308-F320 HydrophobicContact CB-CE2 4.34Å; F308-F320 HydrophobicContact CD2-CE2 4.44Å; F308-Y348 HydrophobicContact CD1-CD1 4.46Å; F308-Y348 HydrophobicContact CD1-CE1 4.12Å; F308-Y348 HydrophobicContact CD2-CD1 4.26Å; F308-Y348 HydrophobicContact CE1-CE1 4.32Å; F308-Y348 HydrophobicContact CE2-CD1 4.39Å; F308-Y348 HydrophobicContact CG-CD1 4.29Å; F308-Y348 HydrophobicContact CG-CE1 4.32Å; F308-A351 HydrophobicContact CE2-CB 3.95Å; F308-A351 HydrophobicContact CZ-CB 4.05Å; F308-Y355 HydrophobicContact CZ-CE2 4.44Å |
| 309 | Q | 84.9 | Confident | 87.1 | Confident | 57 Ų | 57 | 47.3 Ų | 47.3 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62 | -35.1 | 175.5 | -176.8 | -177.6 | -16.7 | 0 | 0 | 112.3 | S182 R305 Y306 Q311 | S182-Q309 PolarHBondContact OG-NE2 3.46Å; S182-Q309 PolarHBondContact OG-OE1 3.39Å; R305-Q309 PolarHBondContact O-N 3.12Å; Y306-Q309 WeakPolarHBondContact O-CB 3.22Å; Y306-Q309 PolarHBondContact O-N 3.3Å; Y306-Q309 VanDerWaalsContact O-N 3.12Å; Q309-Q311 PolarHBondContact O-N 2.97Å |
| 310 | Q | 83.7 | Confident | 87.3 | Confident | 93 Ų | 93 | 47.3 Ų | 47.3 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 8 | 176.9 | -64.8 | -66.6 | -2.9 | 0 | 0 | 113.9 | Y306 A307 F308 Q312 | Y306-Q310 HydrophobicContact CD1-CG 4.44Å; Y306-Q310 HydrophobicContact CE1-CG 3.96Å; Y306-Q310 HydrophobicContact CE2-CG 4.07Å; Y306-Q310 WeakPolarHBondContact O-CG 3.42Å; Y306-Q310 PolarHBondContact O-N 2.96Å; Y306-Q310 PolarHBondContact OH-NE2 3Å; A307-Q310 CarbonylContact O-C 3.4Å; A307-Q310 PolarHBondContact O-N 3.12Å; F308-Q310 VanDerWaalsContact C-N 3.29Å; F308-Q310 PolarHBondContact O-N 3.42Å; Q310-Q312 HydrophobicContact CB-CG 4.39Å; Q310-Q312 PolarHBondContact O-N 3.03Å |
| 311 | Q | 81.2 | Confident | 87.2 | Confident | 151 Ų | 151 | 50.2 Ų | 50.2 | 71% | 0.706 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 21 | -177.1 | -55 | 178.3 | -8.7 | 0 | 0 | 114.3 | A307 F308 Q309 F313 | A307-Q311 PolarHBondContact O-N 2.93Å; F308-Q311 PolarHBondContact O-N 3.45Å; F308-Q311 VanDerWaalsContact O-N 3.14Å; Q309-Q311 PolarHBondContact O-N 2.97Å; Q311-F313 HydrophobicContact CB-CE2 4.08Å; Q311-F313 HydrophobicContact CB-CZ 4.22Å; Q311-F313 HydrophobicContact CG-CZ 4.49Å; Q311-F313 WeakPolarHBondContact O-CD2 3.46Å; Q311-F313 PolarHBondContact O-N 2.87Å |
| 312 | Q | 84.7 | Confident | 87.1 | Confident | 98 Ų | 98 | 53.1 Ų | 53.1 | 46% | 0.458 | 26% | 0.258 | S | S | . | . | trans | -90.2 | 69.5 | 176.2 | -68.1 | 179.8 | -25.4 | 0 | 0 | 110.4 | A307 Q310 A314 Q315 S316 | A307-Q312 HydrophobicContact CB-CB 4.48Å; A307-Q312 PolarHBondContact O-N 3.33Å; Q310-Q312 HydrophobicContact CB-CG 4.39Å; Q310-Q312 PolarHBondContact O-N 3.03Å; Q312-A314 PolarHBondContact O-N 2.96Å; Q312-Q315 HydrophobicContact CB-CB 4.38Å; Q312-Q315 PolarHBondContact O-N 3.26Å; Q312-S316 VanDerWaalsContact O-CB 3.31Å; Q312-S316 WeakPolarHBondContact O-CB 3.25Å; Q312-S316 PolarHBondContact O-N 3.07Å | ||
| 313 | F | 84.8 | Confident | 87.1 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 20% | 0.197 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -36.4 | -169.2 | -58.8 | -69.7 | 0 | 0 | 0 | 114.4 | F308 Q311 S316 Q317 Y355 T356 | F308-F313 HydrophobicContact CD2-CD1 4.13Å; F308-F313 HydrophobicContact CD2-CE1 4.19Å; F308-F313 HydrophobicContact CE2-CD1 4.13Å; F308-F313 AromaticContact CE2-CE1 3.97Å; F308-F313 HydrophobicContact CE2-CE1 3.97Å; F308-F313 HydrophobicContact CZ-CE1 4.39Å; Q311-F313 HydrophobicContact CB-CE2 4.08Å; Q311-F313 HydrophobicContact CB-CZ 4.22Å; Q311-F313 HydrophobicContact CG-CZ 4.49Å; Q311-F313 WeakPolarHBondContact O-CD2 3.46Å; Q311-F313 PolarHBondContact O-N 2.87Å; F313-S316 WeakPolarHBondContact O-CB 3.29Å; F313-S316 PolarHBondContact O-N 3.42Å; F313-Q317 WeakPolarHBondContact O-CB 3.37Å; F313-Q317 PolarHBondContact O-N 3.5Å; F313-Y355 AromaticContact CD1-CD2 3.98Å; F313-Y355 HydrophobicContact CD1-CD2 3.98Å; F313-Y355 HydrophobicContact CD1-CG 4.08Å; F313-Y355 HydrophobicContact CD2-CG 4.3Å; F313-Y355 HydrophobicContact CE1-CD1 4.4Å; F313-Y355 AromaticContact CE1-CD2 3.54Å; F313-Y355 HydrophobicContact CE1-CD2 3.54Å; F313-Y355 HydrophobicContact CE1-CE2 4.13Å; F313-Y355 AromaticContact CE1-CG 3.73Å; F313-Y355 HydrophobicContact CE1-CG 3.73Å; F313-Y355 HydrophobicContact CE2-CD1 4.14Å; F313-Y355 AromaticContact CE2-CG 3.96Å; F313-Y355 HydrophobicContact CE2-CG 3.96Å; F313-Y355 HydrophobicContact CG-CG 4.36Å; F313-Y355 AromaticContact CZ-CD1 3.9Å; F313-Y355 HydrophobicContact CZ-CD1 3.9Å; F313-Y355 AromaticContact CZ-CD2 3.89Å; F313-Y355 HydrophobicContact CZ-CD2 3.89Å; F313-Y355 HydrophobicContact CZ-CE1 4.37Å; F313-Y355 HydrophobicContact CZ-CE2 4.38Å; F313-Y355 AromaticContact CZ-CG 3.66Å; F313-Y355 HydrophobicContact CZ-CG 3.66Å; F313-T356 HydrophobicContact CB-CG2 3.71Å |
| 314 | A | 83 | Confident | 87 | Confident | 74 Ų | 74 | 54.8 Ų | 54.8 | 61% | 0.612 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.2 | -43.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q312 K318 | Q312-A314 PolarHBondContact O-N 2.96Å; A314-K318 PolarHBondContact O-N 3.41Å; A314-K318 VanDerWaalsContact O-N 3.16Å |
| 315 | Q | 85.2 | Confident | 86.9 | Confident | 102 Ų | 102 | 58 Ų | 58 | 48% | 0.477 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.4 | -42.8 | 175.9 | -178.2 | 174 | -2.3 | 0 | 0 | 111.1 | A307 Q312 Q317 K318 L319 | A307-Q315 HydrophobicContact CB-CG 4.35Å; Q312-Q315 HydrophobicContact CB-CB 4.38Å; Q312-Q315 PolarHBondContact O-N 3.26Å; Q315-Q317 PolarHBondContact O-N 3.29Å; Q315-K318 PolarHBondContact O-N 3.34Å; Q315-L319 HydrophobicContact CG-CD1 4.11Å; Q315-L319 WeakPolarHBondContact O-CG 3.44Å; Q315-L319 PolarHBondContact O-N 2.82Å |
| 316 | S | 88.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.2 | -46.7 | 174.6 | 175.6 | 0 | 0 | 0 | 0 | 112 | G304 Q312 F313 K318 L319 F320 C352 | G304-S316 PolarHBondContact O-OG 3.46Å; Q312-S316 VanDerWaalsContact O-CB 3.31Å; Q312-S316 WeakPolarHBondContact O-CB 3.25Å; Q312-S316 PolarHBondContact O-N 3.07Å; F313-S316 WeakPolarHBondContact O-CB 3.29Å; F313-S316 PolarHBondContact O-N 3.42Å; S316-K318 PolarHBondContact O-N 3.48Å; S316-L319 PolarHBondContact O-N 3.45Å; S316-F320 WeakPolarHBondContact O-CB 3.48Å; S316-F320 WeakPolarHBondContact O-CD2 3.47Å; S316-F320 WeakPolarHBondContact O-CG 3.42Å; S316-F320 PolarHBondContact O-N 3.28Å; S316-F320 WeakPolarHBondContact OG-CD2 3.36Å; S316-F320 WeakPolarHBondContact OG-CE2 3.36Å; S316-C352 PolarHBondContact OG-SG 3.19Å |
| 317 | Q | 88.7 | Confident | 86.8 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 27% | 0.266 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 176.6 | -177.1 | -178.6 | -9.7 | 0 | 0 | 111.8 | F313 Q315 L319 F320 Q321 L349 C352 | F313-Q317 WeakPolarHBondContact O-CB 3.37Å; F313-Q317 PolarHBondContact O-N 3.5Å; Q315-Q317 PolarHBondContact O-N 3.29Å; Q317-L319 VanDerWaalsContact C-N 3.34Å; Q317-L319 PolarHBondContact O-N 3.14Å; Q317-F320 PolarHBondContact O-N 2.93Å; Q317-Q321 VanDerWaalsContact O-CB 3.3Å; Q317-Q321 WeakPolarHBondContact O-CB 3.49Å; Q317-Q321 PolarHBondContact O-N 3.49Å; Q317-L349 HydrophobicContact CG-CD2 4.28Å; Q317-C352 HydrophobicContact CB-CB 4.04Å |
| 318 | K | 89.3 | Confident | 86.6 | Confident | 149 Ų | 149 | 61.5 Ų | 61.5 | 65% | 0.648 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.1 | -45.8 | 178 | -174.6 | -179.8 | 178.9 | -177.8 | 0 | 111.6 | A314 Q315 S316 Q321 I322 | A314-K318 PolarHBondContact O-N 3.41Å; A314-K318 VanDerWaalsContact O-N 3.16Å; Q315-K318 PolarHBondContact O-N 3.34Å; S316-K318 PolarHBondContact O-N 3.48Å; K318-Q321 PolarHBondContact O-N 3.05Å; K318-I322 HydrophobicContact CG-CD1 4.26Å; K318-I322 WeakPolarHBondContact O-CD1 3.35Å; K318-I322 VanDerWaalsContact O-CG1 3.29Å; K318-I322 WeakPolarHBondContact O-CG1 3.46Å; K318-I322 PolarHBondContact O-N 3.44Å; K318-I322 VanDerWaalsContact O-N 3.14Å |
| 319 | L | 90.1 | Very high | 86.5 | Confident | 25 Ų | 25 | 65.3 Ų | 65.3 | 13% | 0.131 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.6 | -42.7 | -179.6 | -69 | 170.8 | 0 | 0 | 0 | 112.3 | L303 A307 Q315 S316 Q317 Q321 I322 A323 | L303-L319 HydrophobicContact CB-CD1 3.95Å; A307-L319 HydrophobicContact CB-CD1 4.45Å; Q315-L319 HydrophobicContact CG-CD1 4.11Å; Q315-L319 WeakPolarHBondContact O-CG 3.44Å; Q315-L319 PolarHBondContact O-N 2.82Å; S316-L319 PolarHBondContact O-N 3.45Å; Q317-L319 VanDerWaalsContact C-N 3.34Å; Q317-L319 PolarHBondContact O-N 3.14Å; L319-Q321 VanDerWaalsContact C-N 3.33Å; L319-Q321 PolarHBondContact O-N 3.3Å; L319-I322 PolarHBondContact O-N 3.4Å; L319-A323 PolarHBondContact O-N 2.75Å |
| 320 | F | 91.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.4 | -33.4 | 175.7 | -70.5 | -44.8 | 0 | 0 | 0 | 112.9 | F301 R305 F308 S316 Q317 A323 Y324 Y348 L349 | F301-F320 HydrophobicContact CD2-CD1 4.24Å; F301-F320 AromaticContact CD2-CE1 3.96Å; F301-F320 HydrophobicContact CD2-CE1 3.96Å; F301-F320 HydrophobicContact CE2-CE1 4.36Å; R305-F320 HydrophobicContact CB-CZ 4.49Å; R305-F320 HydrophobicContact CG-CE1 4.02Å; R305-F320 HydrophobicContact CG-CZ 3.94Å; R305-F320 VanDerWaalsContact N-CZ 3.35Å; F308-F320 HydrophobicContact CB-CE2 4.34Å; F308-F320 HydrophobicContact CD2-CE2 4.44Å; S316-F320 WeakPolarHBondContact O-CB 3.48Å; S316-F320 WeakPolarHBondContact O-CD2 3.47Å; S316-F320 WeakPolarHBondContact O-CG 3.42Å; S316-F320 PolarHBondContact O-N 3.28Å; S316-F320 WeakPolarHBondContact OG-CD2 3.36Å; S316-F320 WeakPolarHBondContact OG-CE2 3.36Å; Q317-F320 PolarHBondContact O-N 2.93Å; F320-A323 PolarHBondContact O-N 2.81Å; F320-Y324 WeakPolarHBondContact O-CB 3.33Å; F320-Y324 PolarHBondContact O-N 3.19Å; F320-Y348 HydrophobicContact CE1-CD2 4.36Å; F320-Y348 HydrophobicContact CE1-CG 4.24Å; F320-Y348 AromaticContact CE2-CD1 3.84Å; F320-Y348 HydrophobicContact CE2-CD1 3.84Å; F320-Y348 AromaticContact CE2-CG 3.81Å; F320-Y348 HydrophobicContact CE2-CG 3.81Å; F320-Y348 AromaticContact CZ-CD1 3.77Å; F320-Y348 HydrophobicContact CZ-CD1 3.77Å; F320-Y348 HydrophobicContact CZ-CD2 4.13Å; F320-Y348 HydrophobicContact CZ-CE1 4.35Å; F320-Y348 AromaticContact CZ-CG 3.66Å; F320-Y348 HydrophobicContact CZ-CG 3.66Å; F320-L349 HydrophobicContact CB-CD2 3.67Å; F320-L349 HydrophobicContact CB-CG 3.95Å |
| 321 | Q | 89 | Confident | 86 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 176.1 | -170.7 | 65.4 | 40.7 | 0 | 0 | 110.6 | Q317 K318 L319 A323 Y324 D325 L349 | Q317-Q321 VanDerWaalsContact O-CB 3.3Å; Q317-Q321 WeakPolarHBondContact O-CB 3.49Å; Q317-Q321 PolarHBondContact O-N 3.49Å; K318-Q321 PolarHBondContact O-N 3.05Å; L319-Q321 VanDerWaalsContact C-N 3.33Å; L319-Q321 PolarHBondContact O-N 3.3Å; Q321-A323 VanDerWaalsContact C-N 3.34Å; Q321-A323 PolarHBondContact O-N 3.16Å; Q321-Y324 PolarHBondContact O-N 2.89Å; Q321-D325 PolarHBondContact NE2-OD1 3.29Å; Q321-D325 PolarHBondContact NE2-OD2 3.2Å; Q321-D325 WeakPolarHBondContact O-CB 3.4Å; Q321-D325 PolarHBondContact O-N 3.32Å; Q321-L349 HydrophobicContact CB-CD2 4.39Å |
| 322 | I | 88 | Confident | 86 | Confident | 61 Ų | 61 | 67 Ų | 67 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 175.5 | -64.7 | 162.8 | 0 | 0 | 0 | 110.5 | N300 K318 L319 Y324 D325 E326 | N300-I322 WeakPolarHBondContact ND2-CG2 3.3Å; K318-I322 HydrophobicContact CG-CD1 4.26Å; K318-I322 WeakPolarHBondContact O-CD1 3.35Å; K318-I322 VanDerWaalsContact O-CG1 3.29Å; K318-I322 WeakPolarHBondContact O-CG1 3.46Å; K318-I322 PolarHBondContact O-N 3.44Å; K318-I322 VanDerWaalsContact O-N 3.14Å; L319-I322 PolarHBondContact O-N 3.4Å; I322-Y324 VanDerWaalsContact C-N 3.31Å; I322-Y324 PolarHBondContact O-N 2.76Å; I322-D325 PolarHBondContact O-N 3.02Å; I322-E326 WeakPolarHBondContact O-CG 3.45Å; I322-E326 PolarHBondContact O-N 3.25Å |
| 323 | A | 87.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.7 | -35.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N300 F301 L319 F320 Q321 M327 L345 | N300-A323 HydrophobicContact CB-CB 3.97Å; F301-A323 HydrophobicContact CB-CB 4.34Å; L319-A323 PolarHBondContact O-N 2.75Å; F320-A323 PolarHBondContact O-N 2.81Å; Q321-A323 VanDerWaalsContact C-N 3.34Å; Q321-A323 PolarHBondContact O-N 3.16Å; A323-M327 WeakPolarHBondContact O-CB 3.2Å; A323-M327 VanDerWaalsContact O-CG 3.23Å; A323-M327 WeakPolarHBondContact O-CG 3.44Å; A323-M327 PolarHBondContact O-N 2.97Å; A323-M327 VanDerWaalsContact O-N 3.1Å; A323-L345 VanDerWaalsContact C-CD2 3.5Å; A323-L345 HydrophobicContact CB-CD2 3.52Å |
| 324 | Y | 89 | Confident | 85.5 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 22% | 0.216 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70 | -44.6 | 178.5 | -177 | -102.1 | 0 | 0 | 0 | 111.7 | F320 Q321 I322 M327 L328 L345 H346 L349 | F320-Y324 WeakPolarHBondContact O-CB 3.33Å; F320-Y324 PolarHBondContact O-N 3.19Å; Q321-Y324 PolarHBondContact O-N 2.89Å; I322-Y324 VanDerWaalsContact C-N 3.31Å; I322-Y324 PolarHBondContact O-N 2.76Å; Y324-M327 PolarHBondContact O-N 3.27Å; Y324-L328 HydrophobicContact CD1-CD1 3.82Å; Y324-L328 HydrophobicContact CD1-CG 4.45Å; Y324-L328 HydrophobicContact CE1-CD1 3.27Å; Y324-L328 HydrophobicContact CE1-CG 4.14Å; Y324-L328 HydrophobicContact CE2-CD1 4.44Å; Y324-L328 WeakPolarHBondContact O-CG 3.32Å; Y324-L328 PolarHBondContact O-N 3.18Å; Y324-L345 HydrophobicContact CD2-CB 4Å; Y324-L345 VanDerWaalsContact N-CD2 3.34Å; Y324-H346 HydrophobicContact CE2-CB 4.37Å; Y324-L349 HydrophobicContact CD1-CD1 4.33Å; Y324-L349 HydrophobicContact CD2-CD1 4.41Å; Y324-L349 HydrophobicContact CG-CD1 4Å |
| 325 | D | 87.4 | Confident | 85.4 | Confident | 68 Ų | 68 | 68.7 Ų | 68.7 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 178.3 | -63.4 | -20.2 | 0 | 0 | 0 | 110.4 | Q321 I322 M327 L328 D329 | Q321-D325 PolarHBondContact NE2-OD1 3.29Å; Q321-D325 PolarHBondContact NE2-OD2 3.2Å; Q321-D325 WeakPolarHBondContact O-CB 3.4Å; Q321-D325 PolarHBondContact O-N 3.32Å; I322-D325 PolarHBondContact O-N 3.02Å; D325-M327 PolarHBondContact O-N 2.98Å; D325-L328 PolarHBondContact O-N 3.04Å; D325-D329 WeakPolarHBondContact O-CB 3.34Å; D325-D329 PolarHBondContact O-N 3.1Å |
| 326 | E | 86 | Confident | 84.9 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 176.6 | -72.5 | 178.2 | 161.5 | 0 | 0 | 113.6 | S296 A297 I322 Q330 | S296-E326 WeakPolarHBondContact CB-OE1 3.45Å; S296-E326 WeakPolarHBondContact CB-OE2 3.13Å; S296-E326 PolarHBondContact OG-OE1 2.75Å; S296-E326 PolarHBondContact OG-OE2 3.11Å; A297-E326 VanDerWaalsContact CA-OE2 3.29Å; A297-E326 WeakPolarHBondContact CA-OE2 3.44Å; A297-E326 HydrophobicContact CB-CB 4.17Å; A297-E326 PolarHBondContact N-OE2 3.35Å; I322-E326 WeakPolarHBondContact O-CG 3.45Å; I322-E326 PolarHBondContact O-N 3.25Å; E326-Q330 PolarHBondContact O-N 3.04Å |
| 327 | M | 84.9 | Confident | 84.2 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.1 | -37.1 | 175.2 | -76.3 | -172.8 | 79.9 | 0 | 0 | 112.3 | A297 A323 Y324 D325 K331 F332 L335 P342 L345 | A297-M327 HydrophobicContact CB-CG 4.12Å; A323-M327 WeakPolarHBondContact O-CB 3.2Å; A323-M327 VanDerWaalsContact O-CG 3.23Å; A323-M327 WeakPolarHBondContact O-CG 3.44Å; A323-M327 PolarHBondContact O-N 2.97Å; A323-M327 VanDerWaalsContact O-N 3.1Å; Y324-M327 PolarHBondContact O-N 3.27Å; D325-M327 PolarHBondContact O-N 2.98Å; M327-K331 WeakPolarHBondContact O-CA 3.5Å; M327-K331 PolarHBondContact O-N 3.26Å; M327-K331 VanDerWaalsContact O-N 3.1Å; M327-F332 HydrophobicContact CE-CB 4.25Å; M327-F332 WeakPolarHBondContact CE-O 3.47Å; M327-F332 HydrophobicContact CG-CB 4.34Å; M327-F332 PolarHBondContact O-N 2.92Å; M327-L335 HydrophobicContact CE-CD1 4.4Å; M327-L335 HydrophobicContact CE-CD2 4.38Å; M327-L335 HydrophobicContact CE-CG 3.96Å; M327-L335 HydrophobicContact CG-CD1 4.42Å; M327-L335 HydrophobicContact SD-CD1 3.94Å; M327-L335 HydrophobicContact SD-CG 4.16Å; M327-P342 HydrophobicContact CE-CG 3.83Å; M327-L345 HydrophobicContact SD-CD1 3.69Å; M327-L345 HydrophobicContact SD-CD2 4.1Å |
| 328 | L | 84.7 | Confident | 83.4 | Confident | 92 Ų | 92 | 63 Ų | 63 | 48% | 0.482 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71.4 | -44.5 | 176.9 | -73.6 | -178.4 | 0 | 0 | 0 | 112.1 | Y324 D325 Q330 K331 | Y324-L328 HydrophobicContact CD1-CD1 3.82Å; Y324-L328 HydrophobicContact CD1-CG 4.45Å; Y324-L328 HydrophobicContact CE1-CD1 3.27Å; Y324-L328 HydrophobicContact CE1-CG 4.14Å; Y324-L328 HydrophobicContact CE2-CD1 4.44Å; Y324-L328 WeakPolarHBondContact O-CG 3.32Å; Y324-L328 PolarHBondContact O-N 3.18Å; D325-L328 PolarHBondContact O-N 3.04Å; L328-Q330 VanDerWaalsContact C-N 3.32Å; L328-Q330 PolarHBondContact O-N 3.4Å; L328-K331 PolarHBondContact O-N 3.03Å |
| 329 | D | 83.2 | Confident | 82.8 | Confident | 131 Ų | 131 | 56.1 Ų | 56.1 | 70% | 0.701 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.6 | -40 | -177.8 | -78.2 | -11.6 | 0 | 0 | 0 | 112.3 | D325 | D325-D329 WeakPolarHBondContact O-CB 3.34Å; D325-D329 PolarHBondContact O-N 3.1Å |
| 330 | Q | 78.7 | Confident | 82.3 | Confident | 114 Ų | 114 | 55 Ų | 55 | 53% | 0.533 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 1.4 | -176.1 | -63.1 | -73 | -32.6 | 0 | 0 | 113.7 | E326 L328 F332 | E326-Q330 PolarHBondContact O-N 3.04Å; L328-Q330 VanDerWaalsContact C-N 3.32Å; L328-Q330 PolarHBondContact O-N 3.4Å; Q330-F332 HydrophobicContact CB-CD1 4.46Å; Q330-F332 HydrophobicContact CB-CD2 3.87Å; Q330-F332 HydrophobicContact CB-CE1 4.06Å; Q330-F332 HydrophobicContact CB-CE2 3.4Å; Q330-F332 HydrophobicContact CB-CG 4.37Å; Q330-F332 HydrophobicContact CB-CZ 3.5Å; Q330-F332 VanDerWaalsContact CB-CZ 3.5Å; Q330-F332 HydrophobicContact CG-CE2 3.99Å; Q330-F332 HydrophobicContact CG-CZ 4.12Å; Q330-F332 PolarHBondContact O-N 3.39Å |
| 331 | K | 80.3 | Confident | 82 | Confident | 184 Ų | 184 | 57.1 Ų | 57.1 | 80% | 0.8 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 46.4 | -178.6 | -58.5 | -178.6 | 179.3 | 179.4 | 0 | 113.8 | M327 L328 E333 | M327-K331 WeakPolarHBondContact O-CA 3.5Å; M327-K331 PolarHBondContact O-N 3.26Å; M327-K331 VanDerWaalsContact O-N 3.1Å; L328-K331 PolarHBondContact O-N 3.03Å; K331-E333 PolarHBondContact O-N 3.04Å |
| 332 | F | 80.6 | Confident | 81.7 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 17% | 0.171 | 27% | 0.272 | C | S | . | . | trans | -77.6 | 116.5 | 174 | -61.8 | -49.6 | 0 | 0 | 0 | 110.9 | Y294 M327 Q330 L335 | Y294-F332 HydrophobicContact CD2-CD1 4.11Å; Y294-F332 HydrophobicContact CD2-CE1 4.04Å; Y294-F332 HydrophobicContact CD2-CG 4.4Å; Y294-F332 HydrophobicContact CD2-CZ 4.25Å; M327-F332 HydrophobicContact CE-CB 4.25Å; M327-F332 WeakPolarHBondContact CE-O 3.47Å; M327-F332 HydrophobicContact CG-CB 4.34Å; M327-F332 PolarHBondContact O-N 2.92Å; Q330-F332 HydrophobicContact CB-CD1 4.46Å; Q330-F332 HydrophobicContact CB-CD2 3.87Å; Q330-F332 HydrophobicContact CB-CE1 4.06Å; Q330-F332 HydrophobicContact CB-CE2 3.4Å; Q330-F332 HydrophobicContact CB-CG 4.37Å; Q330-F332 HydrophobicContact CB-CZ 3.5Å; Q330-F332 VanDerWaalsContact CB-CZ 3.5Å; Q330-F332 HydrophobicContact CG-CE2 3.99Å; Q330-F332 HydrophobicContact CG-CZ 4.12Å; Q330-F332 PolarHBondContact O-N 3.39Å; F332-L335 HydrophobicContact CB-CD2 4.24Å; F332-L335 HydrophobicContact CD2-CD2 4.48Å; F332-L335 HydrophobicContact CG-CD2 4.44Å | ||
| 333 | E | 78.3 | Confident | 81.6 | Confident | 172 Ų | 172 | 61.5 Ų | 61.5 | 80% | 0.804 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -76.5 | -37.7 | 176.7 | -67 | -173.6 | 171.1 | 0 | 0 | 112.7 | K331 P342 | K331-E333 PolarHBondContact O-N 3.04Å; E333-P342 WeakPolarHBondContact O-CD 3.19Å |
| 334 | Y | 80.4 | Confident | 81.5 | Confident | 80 Ų | 80 | 64.2 Ų | 64.2 | 31% | 0.314 | 31% | 0.309 | S | S | . | . | trans | -150.2 | 133.1 | -175.2 | -172.2 | -100.9 | 0 | 0 | 0 | 111.1 | N105 D336 T341 | N105-Y334 PolarHBondContact ND2-OH 2.91Å; Y334-D336 WeakPolarHBondContact CD1-OD1 3.44Å; Y334-T341 HydrophobicContact CD2-CG2 3.71Å; Y334-T341 HydrophobicContact CE2-CG2 4.27Å | ||
| 335 | L | 81.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -94.3 | 112.5 | 171.8 | -57.4 | -177 | 0 | 0 | 0 | 109.1 | Y294 A297 M327 F332 A338 G339 A340 | Y294-L335 HydrophobicContact CD2-CD2 3.71Å; Y294-L335 HydrophobicContact CE2-CD2 3.63Å; Y294-L335 HydrophobicContact CG-CD2 4.47Å; A297-L335 HydrophobicContact CB-CD1 3.97Å; A297-L335 HydrophobicContact CB-CD2 4.5Å; M327-L335 HydrophobicContact CE-CD1 4.4Å; M327-L335 HydrophobicContact CE-CD2 4.38Å; M327-L335 HydrophobicContact CE-CG 3.96Å; M327-L335 HydrophobicContact CG-CD1 4.42Å; M327-L335 HydrophobicContact SD-CD1 3.94Å; M327-L335 HydrophobicContact SD-CG 4.16Å; F332-L335 HydrophobicContact CB-CD2 4.24Å; F332-L335 HydrophobicContact CD2-CD2 4.48Å; F332-L335 HydrophobicContact CG-CD2 4.44Å; L335-A338 HydrophobicContact CB-CB 4.31Å; L335-G339 VanDerWaalsContact O-CA 3.22Å; L335-G339 WeakPolarHBondContact O-CA 3.36Å; L335-G339 PolarHBondContact O-N 3.5Å; L335-A340 HydrophobicContact CB-CB 4.12Å; L335-A340 HydrophobicContact CD1-CB 3.85Å; L335-A340 HydrophobicContact CG-CB 4.17Å; L335-A340 PolarHBondContact N-O 3.45Å; L335-A340 PolarHBondContact O-N 3.21Å |
| 336 | D | 75.3 | Confident | 81.4 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 15% | 0.15 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -44.3 | -170.4 | -72.5 | -37.2 | 0 | 0 | 0 | 112.1 | K101 R246 Y294 Y334 | K101-D336 HydrophobicContact CD-CB 4.43Å; K101-D336 VanDerWaalsContact CD-OD2 3.25Å; K101-D336 WeakPolarHBondContact CD-OD2 3.45Å; K101-D336 IonicContact NZ-OD2 3.44Å; K101-D336 PolarHBondContact NZ-OD2 2.64Å; R246-D336 IonicContact NH1-OD2 2.83Å; R246-D336 IonicContact NH2-OD2 2.64Å; Y294-D336 WeakPolarHBondContact OH-CB 3.47Å; Y294-D336 PolarHBondContact OH-N 3.27Å; Y334-D336 WeakPolarHBondContact CD1-OD1 3.44Å |
| 337 | E | 73.1 | Confident | 81.4 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.028 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -35.6 | -176.4 | -72.3 | 80.3 | 175.1 | 0 | 0 | 113 | L104 Y169 R246 Y294 | L104-E337 WeakPolarHBondContact CD1-O 3.36Å; Y169-E337 HydrophobicContact CE2-CG 4.24Å; Y169-E337 PolarHBondContact OH-OE1 3.27Å; R246-E337 IonicContact CZ-OE1 3.31Å; R246-E337 VanDerWaalsContact CZ-OE1 3.24Å; R246-E337 IonicContact NE-OE1 3.24Å; R246-E337 PolarHBondContact NE-OE1 3.13Å; R246-E337 VanDerWaalsContact NE-OE1 3.07Å; R246-E337 IonicContact NH2-OE1 3.16Å; R246-E337 PolarHBondContact NH2-OE1 3.03Å; R246-E337 IonicContact NH2-OE2 3.24Å; R246-E337 PolarHBondContact NH2-OE2 3Å; R246-E337 VanDerWaalsContact NH2-OE2 3.16Å; Y294-E337 WeakPolarHBondContact CE1-OE2 3.01Å; Y294-E337 PolarHBondContact OH-OE2 3.38Å |
| 338 | A | 72.8 | Confident | 81.5 | Confident | 5 Ų | 5 | 65 Ų | 65 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -18.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F301 V302 L335 | F301-A338 HydrophobicContact CD1-CB 3.85Å; F301-A338 HydrophobicContact CE1-CB 4.32Å; F301-A338 WeakPolarHBondContact CE1-O 3.16Å; V302-A338 HydrophobicContact CG2-CB 3.88Å; L335-A338 HydrophobicContact CB-CB 4.31Å |
| 339 | G | 75.6 | Confident | 81.6 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 28.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | N105 L335 | N105-G339 WeakPolarHBondContact ND2-CA 3.34Å; N105-G339 PolarHBondContact ND2-O 3.09Å; L335-G339 VanDerWaalsContact O-CA 3.22Å; L335-G339 WeakPolarHBondContact O-CA 3.36Å; L335-G339 PolarHBondContact O-N 3.5Å |
| 340 | A | 80.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -96.7 | 141.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F301 L335 L345 | F301-A340 HydrophobicContact CB-CB 4.48Å; F301-A340 HydrophobicContact CD1-CB 3.64Å; F301-A340 HydrophobicContact CD2-CB 3.78Å; F301-A340 HydrophobicContact CE1-CB 3.57Å; F301-A340 HydrophobicContact CE2-CB 3.75Å; F301-A340 HydrophobicContact CG-CB 3.7Å; F301-A340 HydrophobicContact CZ-CB 3.61Å; L335-A340 HydrophobicContact CB-CB 4.12Å; L335-A340 HydrophobicContact CD1-CB 3.85Å; L335-A340 HydrophobicContact CG-CB 4.17Å; L335-A340 PolarHBondContact N-O 3.45Å; L335-A340 PolarHBondContact O-N 3.21Å; A340-L345 HydrophobicContact CB-CD1 3.77Å |
| 341 | T | 85.2 | Confident | 81.9 | Confident | 46 Ų | 46 | 54.1 Ų | 54.1 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | trans | -123.6 | 154.1 | 170.8 | 56.8 | 0 | 0 | 0 | 0 | 109.5 | Y334 K343 L344 L345 | Y334-T341 HydrophobicContact CD2-CG2 3.71Å; Y334-T341 HydrophobicContact CE2-CG2 4.27Å; T341-K343 PolarHBondContact O-N 2.87Å; T341-L344 WeakPolarHBondContact O-CB 3.3Å; T341-L344 PolarHBondContact O-N 3.43Å; T341-L344 WeakPolarHBondContact OG1-CB 3.29Å; T341-L344 PolarHBondContact OG1-N 3.33Å; T341-L345 WeakPolarHBondContact O-CD1 3.4Å; T341-L345 PolarHBondContact O-N 2.87Å | ||
| 342 | P | 83.5 | Confident | 82.1 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.8 | -35.6 | 176.7 | -25.1 | 33.4 | 0 | 0 | 0 | 113 | M327 E333 L345 H346 | M327-P342 HydrophobicContact CE-CG 3.83Å; E333-P342 WeakPolarHBondContact O-CD 3.19Å; P342-L345 PolarHBondContact O-N 3.43Å; P342-H346 WeakPolarHBondContact O-CB 3.47Å; P342-H346 PolarHBondContact O-N 3.17Å |
| 343 | K | 84.9 | Confident | 81.9 | Confident | 181 Ų | 181 | 49.1 Ų | 49.1 | 79% | 0.787 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64 | -40.4 | 175.5 | -67.1 | -176.3 | 179.5 | 179.8 | 0 | 112.3 | T341 H346 A347 | T341-K343 PolarHBondContact O-N 2.87Å; K343-H346 PolarHBondContact O-N 3.4Å; K343-A347 PolarHBondContact O-N 3.1Å |
| 344 | L | 86.4 | Confident | 81.6 | Confident | 58 Ų | 58 | 43.9 Ų | 43.9 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.4 | -42.1 | 177.4 | -177.4 | 63.6 | 0 | 0 | 0 | 111.4 | F301 T341 H346 A347 Y348 | F301-L344 HydrophobicContact CE2-CD2 4.12Å; F301-L344 HydrophobicContact CE2-CG 4.34Å; F301-L344 HydrophobicContact CZ-CD2 3.68Å; F301-L344 HydrophobicContact CZ-CG 4.37Å; T341-L344 WeakPolarHBondContact O-CB 3.3Å; T341-L344 PolarHBondContact O-N 3.43Å; T341-L344 WeakPolarHBondContact OG1-CB 3.29Å; T341-L344 PolarHBondContact OG1-N 3.33Å; L344-H346 VanDerWaalsContact C-N 3.33Å; L344-H346 PolarHBondContact O-N 3.04Å; L344-A347 WeakPolarHBondContact O-CB 3.32Å; L344-A347 PolarHBondContact O-N 3.43Å; L344-Y348 HydrophobicContact CD1-CD2 4.17Å; L344-Y348 HydrophobicContact CD1-CE2 3.84Å; L344-Y348 HydrophobicContact CD2-CE2 4.4Å; L344-Y348 HydrophobicContact CG-CD2 4.05Å; L344-Y348 HydrophobicContact CG-CE2 3.9Å; L344-Y348 VanDerWaalsContact O-CD2 3.32Å; L344-Y348 WeakPolarHBondContact O-CD2 3.35Å; L344-Y348 PolarHBondContact O-N 2.82Å |
| 345 | L | 86.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 173.8 | -85.5 | 84.6 | 0 | 0 | 0 | 111.6 | F301 A323 Y324 M327 A340 T341 P342 A347 Y348 L349 | F301-L345 HydrophobicContact CD2-CD1 3.56Å; F301-L345 HydrophobicContact CD2-CD2 4.46Å; F301-L345 HydrophobicContact CD2-CG 3.81Å; F301-L345 HydrophobicContact CE2-CD1 3.81Å; F301-L345 HydrophobicContact CE2-CG 4.24Å; F301-L345 HydrophobicContact CG-CD1 4.46Å; A323-L345 VanDerWaalsContact C-CD2 3.5Å; A323-L345 HydrophobicContact CB-CD2 3.52Å; Y324-L345 HydrophobicContact CD2-CB 4Å; Y324-L345 VanDerWaalsContact N-CD2 3.34Å; M327-L345 HydrophobicContact SD-CD1 3.69Å; M327-L345 HydrophobicContact SD-CD2 4.1Å; A340-L345 HydrophobicContact CB-CD1 3.77Å; T341-L345 WeakPolarHBondContact O-CD1 3.4Å; T341-L345 PolarHBondContact O-N 2.87Å; P342-L345 PolarHBondContact O-N 3.43Å; L345-A347 VanDerWaalsContact C-N 3.32Å; L345-A347 PolarHBondContact O-N 2.89Å; L345-Y348 PolarHBondContact O-N 3.32Å; L345-L349 WeakPolarHBondContact O-CG 3.5Å; L345-L349 PolarHBondContact O-N 3.14Å |
| 346 | H | 86.9 | Confident | 79.7 | Confident | 102 Ų | 102 | 48.3 Ų | 48.3 | 47% | 0.472 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 175.6 | -171.8 | 70.8 | 0 | 0 | 0 | 111.8 | Y324 P342 K343 L344 Y348 L349 T350 | Y324-H346 HydrophobicContact CE2-CB 4.37Å; P342-H346 WeakPolarHBondContact O-CB 3.47Å; P342-H346 PolarHBondContact O-N 3.17Å; K343-H346 PolarHBondContact O-N 3.4Å; L344-H346 VanDerWaalsContact C-N 3.33Å; L344-H346 PolarHBondContact O-N 3.04Å; H346-Y348 PolarHBondContact O-N 3.47Å; H346-L349 PolarHBondContact O-N 3.43Å; H346-T350 PolarHBondContact O-N 2.89Å; H346-T350 PolarHBondContact O-OG1 3.43Å |
| 347 | A | 87 | Confident | 78.6 | Confident | 55 Ų | 55 | 50.6 Ų | 50.6 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K343 L344 L345 T350 A351 | K343-A347 PolarHBondContact O-N 3.1Å; L344-A347 WeakPolarHBondContact O-CB 3.32Å; L344-A347 PolarHBondContact O-N 3.43Å; L345-A347 VanDerWaalsContact C-N 3.32Å; L345-A347 PolarHBondContact O-N 2.89Å; A347-T350 PolarHBondContact O-N 2.9Å; A347-A351 WeakPolarHBondContact O-CB 3.31Å; A347-A351 PolarHBondContact O-N 3.24Å |
| 348 | Y | 86.8 | Confident | 77.4 | Confident | 28 Ų | 28 | 53 Ų | 53 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 174.7 | -85 | -67.5 | 0 | 0 | 0 | 112.9 | H183 F301 R305 F308 F320 L344 L345 H346 T350 A351 C352 | H183-Y348 PolarHBondContact NE2-OH 3.46Å; F301-Y348 HydrophobicContact CE2-CD2 4.24Å; F301-Y348 HydrophobicContact CE2-CE2 4.26Å; F301-Y348 HydrophobicContact CZ-CE2 4.48Å; R305-Y348 HydrophobicContact CG-CE2 4.18Å; R305-Y348 PolarHBondContact NE-OH 2.95Å; R305-Y348 VanDerWaalsContact NE-OH 3.12Å; R305-Y348 PolarHBondContact NH2-OH 3.45Å; F308-Y348 HydrophobicContact CD1-CD1 4.46Å; F308-Y348 HydrophobicContact CD1-CE1 4.12Å; F308-Y348 HydrophobicContact CD2-CD1 4.26Å; F308-Y348 HydrophobicContact CE1-CE1 4.32Å; F308-Y348 HydrophobicContact CE2-CD1 4.39Å; F308-Y348 HydrophobicContact CG-CD1 4.29Å; F308-Y348 HydrophobicContact CG-CE1 4.32Å; F320-Y348 HydrophobicContact CE1-CD2 4.36Å; F320-Y348 HydrophobicContact CE1-CG 4.24Å; F320-Y348 AromaticContact CE2-CD1 3.84Å; F320-Y348 HydrophobicContact CE2-CD1 3.84Å; F320-Y348 AromaticContact CE2-CG 3.81Å; F320-Y348 HydrophobicContact CE2-CG 3.81Å; F320-Y348 AromaticContact CZ-CD1 3.77Å; F320-Y348 HydrophobicContact CZ-CD1 3.77Å; F320-Y348 HydrophobicContact CZ-CD2 4.13Å; F320-Y348 HydrophobicContact CZ-CE1 4.35Å; F320-Y348 AromaticContact CZ-CG 3.66Å; F320-Y348 HydrophobicContact CZ-CG 3.66Å; L344-Y348 HydrophobicContact CD1-CD2 4.17Å; L344-Y348 HydrophobicContact CD1-CE2 3.84Å; L344-Y348 HydrophobicContact CD2-CE2 4.4Å; L344-Y348 HydrophobicContact CG-CD2 4.05Å; L344-Y348 HydrophobicContact CG-CE2 3.9Å; L344-Y348 VanDerWaalsContact O-CD2 3.32Å; L344-Y348 WeakPolarHBondContact O-CD2 3.35Å; L344-Y348 PolarHBondContact O-N 2.82Å; L345-Y348 PolarHBondContact O-N 3.32Å; H346-Y348 PolarHBondContact O-N 3.47Å; Y348-T350 VanDerWaalsContact C-N 3.34Å; Y348-A351 PolarHBondContact O-N 3.35Å; Y348-C352 PolarHBondContact O-N 2.86Å; Y348-C352 PolarHBondContact O-SG 3.42Å; Y348-C352 VanDerWaalsContact O-SG 3.36Å |
| 349 | L | 87.3 | Confident | 76 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | 175.2 | -76.7 | 170.3 | 0 | 0 | 0 | 111.5 | Q317 F320 Q321 Y324 L345 H346 C352 K353 | Q317-L349 HydrophobicContact CG-CD2 4.28Å; F320-L349 HydrophobicContact CB-CD2 3.67Å; F320-L349 HydrophobicContact CB-CG 3.95Å; Q321-L349 HydrophobicContact CB-CD2 4.39Å; Y324-L349 HydrophobicContact CD1-CD1 4.33Å; Y324-L349 HydrophobicContact CD2-CD1 4.41Å; Y324-L349 HydrophobicContact CG-CD1 4Å; L345-L349 WeakPolarHBondContact O-CG 3.5Å; L345-L349 PolarHBondContact O-N 3.14Å; H346-L349 PolarHBondContact O-N 3.43Å; L349-C352 PolarHBondContact O-N 3.34Å; L349-K353 WeakPolarHBondContact O-CB 3.39Å; L349-K353 VanDerWaalsContact O-CG 3.27Å; L349-K353 WeakPolarHBondContact O-CG 3.34Å; L349-K353 PolarHBondContact O-N 3.16Å |
| 350 | T | 84.5 | Confident | 74.2 | Confident | 76 Ų | 76 | 66 Ų | 66 | 47% | 0.466 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 174.3 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | H346 A347 Y348 K353 S354 | H346-T350 PolarHBondContact O-N 2.89Å; H346-T350 PolarHBondContact O-OG1 3.43Å; A347-T350 PolarHBondContact O-N 2.9Å; Y348-T350 VanDerWaalsContact C-N 3.34Å; T350-K353 PolarHBondContact O-N 3.18Å; T350-S354 PolarHBondContact O-N 3.31Å; T350-S354 VanDerWaalsContact O-N 3.07Å |
| 351 | A | 83.7 | Confident | 72.4 | Confident | 27 Ų | 27 | 73.5 Ų | 73.5 | 22% | 0.223 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F308 A347 Y348 K353 S354 Y355 | F308-A351 HydrophobicContact CE2-CB 3.95Å; F308-A351 HydrophobicContact CZ-CB 4.05Å; A347-A351 WeakPolarHBondContact O-CB 3.31Å; A347-A351 PolarHBondContact O-N 3.24Å; Y348-A351 PolarHBondContact O-N 3.35Å; A351-K353 VanDerWaalsContact C-N 3.32Å; A351-K353 PolarHBondContact O-N 3.04Å; A351-S354 WeakPolarHBondContact O-CB 3.34Å; A351-S354 PolarHBondContact O-N 3.31Å; A351-S354 VanDerWaalsContact O-N 3.09Å; A351-S354 PolarHBondContact O-OG 3.48Å; A351-Y355 WeakPolarHBondContact O-CD2 3.26Å; A351-Y355 PolarHBondContact O-N 3.35Å |
| 352 | C | 83 | Confident | 70.1 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -56.1 | -46.3 | 176 | -71.8 | 0 | 0 | 0 | 0 | 111.7 | S316 Q317 Y348 L349 S354 Y355 T356 | S316-C352 PolarHBondContact OG-SG 3.19Å; Q317-C352 HydrophobicContact CB-CB 4.04Å; Y348-C352 PolarHBondContact O-N 2.86Å; Y348-C352 PolarHBondContact O-SG 3.42Å; Y348-C352 VanDerWaalsContact O-SG 3.36Å; L349-C352 PolarHBondContact O-N 3.34Å; C352-S354 PolarHBondContact O-N 3.39Å; C352-Y355 PolarHBondContact O-N 2.98Å; C352-T356 WeakPolarHBondContact O-CG2 3.36Å; C352-T356 PolarHBondContact O-N 3.48Å; C352-T356 PolarHBondContact O-OG1 2.86Å; C352-T356 VanDerWaalsContact O-OG1 3.11Å |
| 353 | K | 77.3 | Confident | 67.9 | Low | 119 Ų | 119 | 80.1 Ų | 80.1 | 52% | 0.517 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.7 | -33.7 | 177.7 | -76.2 | 173.8 | 179.7 | -177.6 | 0 | 113 | L349 T350 A351 Y355 T356 S357 | L349-K353 WeakPolarHBondContact O-CB 3.39Å; L349-K353 VanDerWaalsContact O-CG 3.27Å; L349-K353 WeakPolarHBondContact O-CG 3.34Å; L349-K353 PolarHBondContact O-N 3.16Å; T350-K353 PolarHBondContact O-N 3.18Å; A351-K353 VanDerWaalsContact C-N 3.32Å; A351-K353 PolarHBondContact O-N 3.04Å; K353-Y355 VanDerWaalsContact C-N 3.3Å; K353-Y355 PolarHBondContact O-N 2.86Å; K353-T356 WeakPolarHBondContact CA-OG1 3.35Å; K353-S357 PolarHBondContact O-N 2.86Å; K353-S357 PolarHBondContact O-OG 3.44Å |
| 354 | S | 72.1 | Confident | 65.8 | Low | 62 Ų | 62 | 77.6 Ų | 77.6 | 43% | 0.434 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70.5 | -23.9 | 176.2 | 74.5 | 0 | 0 | 0 | 0 | 113.9 | T350 A351 C352 S357 | T350-S354 PolarHBondContact O-N 3.31Å; T350-S354 VanDerWaalsContact O-N 3.07Å; A351-S354 WeakPolarHBondContact O-CB 3.34Å; A351-S354 PolarHBondContact O-N 3.31Å; A351-S354 VanDerWaalsContact O-N 3.09Å; A351-S354 PolarHBondContact O-OG 3.48Å; C352-S354 PolarHBondContact O-N 3.39Å; S354-S357 PolarHBondContact O-OG 3.42Å |
| 355 | Y | 65.8 | Low | 64 | Low | 125 Ų | 125 | 78 Ų | 78 | 49% | 0.49 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -94.9 | -37.8 | 177.5 | -71.3 | -72.9 | 0 | 0 | 0 | 112.8 | F308 F313 A351 C352 K353 S357 S358 | F308-Y355 HydrophobicContact CZ-CE2 4.44Å; F313-Y355 AromaticContact CD1-CD2 3.98Å; F313-Y355 HydrophobicContact CD1-CD2 3.98Å; F313-Y355 HydrophobicContact CD1-CG 4.08Å; F313-Y355 HydrophobicContact CD2-CG 4.3Å; F313-Y355 HydrophobicContact CE1-CD1 4.4Å; F313-Y355 AromaticContact CE1-CD2 3.54Å; F313-Y355 HydrophobicContact CE1-CD2 3.54Å; F313-Y355 HydrophobicContact CE1-CE2 4.13Å; F313-Y355 AromaticContact CE1-CG 3.73Å; F313-Y355 HydrophobicContact CE1-CG 3.73Å; F313-Y355 HydrophobicContact CE2-CD1 4.14Å; F313-Y355 AromaticContact CE2-CG 3.96Å; F313-Y355 HydrophobicContact CE2-CG 3.96Å; F313-Y355 HydrophobicContact CG-CG 4.36Å; F313-Y355 AromaticContact CZ-CD1 3.9Å; F313-Y355 HydrophobicContact CZ-CD1 3.9Å; F313-Y355 AromaticContact CZ-CD2 3.89Å; F313-Y355 HydrophobicContact CZ-CD2 3.89Å; F313-Y355 HydrophobicContact CZ-CE1 4.37Å; F313-Y355 HydrophobicContact CZ-CE2 4.38Å; F313-Y355 AromaticContact CZ-CG 3.66Å; F313-Y355 HydrophobicContact CZ-CG 3.66Å; A351-Y355 WeakPolarHBondContact O-CD2 3.26Å; A351-Y355 PolarHBondContact O-N 3.35Å; C352-Y355 PolarHBondContact O-N 2.98Å; K353-Y355 VanDerWaalsContact C-N 3.3Å; K353-Y355 PolarHBondContact O-N 2.86Å; Y355-S357 VanDerWaalsContact C-N 3.26Å; Y355-S357 PolarHBondContact O-N 2.88Å; Y355-S358 VanDerWaalsContact O-CB 3.31Å; Y355-S358 WeakPolarHBondContact O-CB 3.33Å; Y355-S358 PolarHBondContact O-N 3.29Å |
| 356 | T | 57 | Low | 62.1 | Low | 47 Ų | 47 | 80.7 Ų | 80.7 | 29% | 0.288 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -71.5 | -18.1 | -179.8 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | F313 C352 K353 S358 | F313-T356 HydrophobicContact CB-CG2 3.71Å; C352-T356 WeakPolarHBondContact O-CG2 3.36Å; C352-T356 PolarHBondContact O-N 3.48Å; C352-T356 PolarHBondContact O-OG1 2.86Å; C352-T356 VanDerWaalsContact O-OG1 3.11Å; K353-T356 WeakPolarHBondContact CA-OG1 3.35Å; T356-S358 PolarHBondContact O-N 2.87Å |
| 357 | S | 51.6 | Low | 60 | Low | 76 Ų | 76 | 82.5 Ų | 82.5 | 53% | 0.531 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -5.2 | 172 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | K353 S354 Y355 | K353-S357 PolarHBondContact O-N 2.86Å; K353-S357 PolarHBondContact O-OG 3.44Å; S354-S357 PolarHBondContact O-OG 3.42Å; Y355-S357 VanDerWaalsContact C-N 3.26Å; Y355-S357 PolarHBondContact O-N 2.88Å |
| 358 | S | 46.7 | Very low | 58.1 | Low | 56 Ų | 56 | 83.3 Ų | 83.3 | 39% | 0.392 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -10.1 | -176.3 | -164.6 | 0 | 0 | 0 | 0 | 115.7 | Y355 T356 R380 | Y355-S358 VanDerWaalsContact O-CB 3.31Å; Y355-S358 WeakPolarHBondContact O-CB 3.33Å; Y355-S358 PolarHBondContact O-N 3.29Å; T356-S358 PolarHBondContact O-N 2.87Å; S358-R380 PolarHBondContact OG-NH1 3.07Å |
| 359 | E | 44.1 | Very low | 56.4 | Low | 184 Ų | 184 | 90.8 Ų | 90.8 | 86% | 0.86 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -108.5 | 4.6 | -173.9 | -80 | -174.6 | 159.9 | 0 | 0 | 115.2 | ||
| 360 | C | 38.6 | Very low | 54.9 | Low | 101 Ų | 101 | 92.8 Ų | 92.8 | 68% | 0.682 | 50% | 0.504 | S | S | * | . | trans | -103.4 | 76.4 | 174.7 | -146.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 361 | I | 41 | Very low | 53.7 | Low | 157 Ų | 157 | 90.7 Ų | 90.7 | 81% | 0.805 | 49% | 0.489 | S | S | * | . | trans | -95.3 | 1.4 | -176.9 | -65.7 | 173.7 | 0 | 0 | 0 | 112.4 | ||||
| 362 | S | 38 | Very low | 52.5 | Low | 97 Ų | 97 | 91.8 Ų | 91.8 | 68% | 0.678 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -100.7 | -13.6 | -171 | 49 | 0 | 0 | 0 | 0 | 116.9 | ||
| 363 | D | 36.2 | Very low | 51.6 | Low | 127 Ų | 127 | 95.4 Ų | 95.4 | 68% | 0.679 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -153 | 138 | -179.3 | -80.7 | -49.1 | 0 | 0 | 0 | 110.9 | ||
| 364 | E | 42.3 | Very low | 51.1 | Low | 127 Ų | 127 | 89.9 Ų | 89.9 | 59% | 0.593 | 49% | 0.485 | S | S | * | . | trans | 86.6 | 100.3 | 147.4 | -75.4 | -171.8 | -155 | 0 | 0 | 121.1 | S366 | E364-S366 WeakPolarHBondContact CB-OG 3.28Å; E364-S366 WeakPolarHBondContact CG-OG 3.28Å; E364-S366 PolarHBondContact O-N 3.47Å; E364-S366 PolarHBondContact OE2-OG 3.38Å | ||
| 365 | F | 47.2 | Very low | 50.8 | Low | 66 Ų | 66 | 86.9 Ų | 86.9 | 29% | 0.289 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 5.6 | 153.2 | -89.5 | -87.3 | 0 | 0 | 0 | 113.3 | F368 F374 L381 W402 I425 | F365-F368 AromaticContact CD1-CE2 3.92Å; F365-F368 HydrophobicContact CD1-CE2 3.92Å; F365-F374 HydrophobicContact CD1-CE2 4.14Å; F365-F374 HydrophobicContact CE1-CD2 4.48Å; F365-F374 AromaticContact CE1-CE2 3.83Å; F365-F374 HydrophobicContact CE1-CE2 3.83Å; F365-L381 HydrophobicContact CZ-CD1 4.31Å; F365-W402 HydrophobicContact CB-CH2 4.26Å; F365-W402 HydrophobicContact CB-CZ2 4.38Å; F365-W402 HydrophobicContact CD1-CE3 4.46Å; F365-W402 AromaticContact CD1-CH2 3.62Å; F365-W402 HydrophobicContact CD1-CH2 3.62Å; F365-W402 AromaticContact CD1-CZ3 3.58Å; F365-W402 HydrophobicContact CD1-CZ3 3.58Å; F365-W402 HydrophobicContact CE1-CH2 4.44Å; F365-W402 HydrophobicContact CE1-CZ3 4.08Å; F365-W402 HydrophobicContact CG-CH2 4.33Å; F365-W402 HydrophobicContact CG-CZ3 4.29Å; F365-I425 HydrophobicContact CD2-CD1 4.21Å; F365-I425 HydrophobicContact CE1-CD1 4.35Å; F365-I425 HydrophobicContact CE1-CG1 4.45Å; F365-I425 HydrophobicContact CE1-CG2 4.18Å; F365-I425 HydrophobicContact CE2-CD1 3.62Å; F365-I425 HydrophobicContact CE2-CG1 4.47Å; F365-I425 HydrophobicContact CZ-CD1 3.71Å; F365-I425 HydrophobicContact CZ-CG1 4.27Å; F365-I425 HydrophobicContact CZ-CG2 4.17Å |
| 366 | S | 47.4 | Very low | 50.7 | Low | 58 Ų | 58 | 85.8 Ų | 85.8 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 5.4 | -170 | 15.8 | 0 | 0 | 0 | 0 | 116.5 | E364 | E364-S366 WeakPolarHBondContact CB-OG 3.28Å; E364-S366 WeakPolarHBondContact CG-OG 3.28Å; E364-S366 PolarHBondContact O-N 3.47Å; E364-S366 PolarHBondContact OE2-OG 3.38Å |
| 367 | L | 42.4 | Very low | 51.1 | Low | 140 Ų | 140 | 85.9 Ų | 85.9 | 73% | 0.733 | 46% | 0.464 | S | S | * | . | trans | -124.9 | 25 | -167.7 | -94.2 | 157.6 | 0 | 0 | 0 | 116.3 | ||||
| 368 | F | 47.9 | Very low | 51.9 | Low | 72 Ų | 72 | 82.3 Ų | 82.3 | 32% | 0.316 | 44% | 0.439 | S | S | . | . | trans | -88 | 127.3 | -177.9 | -63 | -67.7 | 0 | 0 | 0 | 113.6 | F365 Q373 F374 T377 | F365-F368 AromaticContact CD1-CE2 3.92Å; F365-F368 HydrophobicContact CD1-CE2 3.92Å; F368-Q373 HydrophobicContact CD1-CB 3.99Å; F368-F374 HydrophobicContact CD2-CD2 4.38Å; F368-F374 HydrophobicContact CE2-CD2 4.34Å; F368-T377 HydrophobicContact CE1-CG2 4.3Å; F368-T377 WeakPolarHBondContact CE1-OG1 3.39Å; F368-T377 HydrophobicContact CZ-CG2 4Å | ||
| 369 | Q | 51.1 | Low | 53 | Low | 184 Ų | 184 | 79.9 Ų | 79.9 | 86% | 0.86 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -95.2 | -10 | 176.1 | -81.7 | 178.3 | -20.6 | 0 | 0 | 113.6 | ||
| 370 | S | 55.5 | Low | 54.1 | Low | 48 Ų | 48 | 76 Ų | 76 | 34% | 0.336 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -158 | 148.7 | -178.7 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | N372 Q373 F374 | S370-N372 PolarHBondContact O-N 3Å; S370-Q373 WeakPolarHBondContact O-CB 3.48Å; S370-Q373 PolarHBondContact O-N 3.21Å; S370-Q373 VanDerWaalsContact O-N 3.07Å; S370-Q373 WeakPolarHBondContact OG-CG 3.29Å; S370-Q373 PolarHBondContact OG-OE1 3.44Å; S370-F374 PolarHBondContact O-N 3.32Å |
| 371 | D | 58.6 | Low | 55.4 | Low | 31 Ų | 31 | 74.2 Ų | 74.2 | 17% | 0.166 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.9 | -32 | 178.7 | -65.4 | -18.3 | 0 | 0 | 0 | 113.6 | F374 L375 V432 N435 Y448 | D371-F374 PolarHBondContact O-N 3.37Å; D371-L375 PolarHBondContact O-N 2.86Å; D371-V432 HydrophobicContact CB-CG1 4.01Å; D371-N435 PolarHBondContact OD2-ND2 3.28Å; D371-Y448 VanDerWaalsContact CG-OH 3.3Å; D371-Y448 PolarHBondContact OD2-OH 3.48Å |
| 372 | N | 59.9 | Low | 56.7 | Low | 51 Ų | 51 | 66.8 Ų | 66.8 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.5 | -36.2 | 177.3 | -74 | -39.9 | 0 | 0 | 0 | 112.4 | S370 F374 L375 E376 | S370-N372 PolarHBondContact O-N 3Å; N372-F374 VanDerWaalsContact C-N 3.32Å; N372-L375 PolarHBondContact O-N 3.46Å; N372-E376 WeakPolarHBondContact O-CB 3.33Å; N372-E376 WeakPolarHBondContact O-CG 3.45Å; N372-E376 PolarHBondContact O-N 3.35Å |
| 373 | Q | 62.1 | Low | 58 | Low | 75 Ų | 75 | 64.8 Ų | 64.8 | 35% | 0.35 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.2 | -35.6 | 176 | -76.8 | 173.6 | -20.4 | 0 | 0 | 111.5 | F368 S370 T377 | F368-Q373 HydrophobicContact CD1-CB 3.99Å; S370-Q373 WeakPolarHBondContact O-CB 3.48Å; S370-Q373 PolarHBondContact O-N 3.21Å; S370-Q373 VanDerWaalsContact O-N 3.07Å; S370-Q373 WeakPolarHBondContact OG-CG 3.29Å; S370-Q373 PolarHBondContact OG-OE1 3.44Å; Q373-T377 WeakPolarHBondContact O-CB 3.34Å; Q373-T377 PolarHBondContact O-N 2.72Å; Q373-T377 VanDerWaalsContact O-N 3.07Å; Q373-T377 PolarHBondContact O-OG1 3.42Å |
| 374 | F | 66.9 | Low | 59.4 | Low | 3 Ų | 3 | 62.7 Ų | 62.7 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.6 | -49.5 | 174.1 | 174.2 | -100.7 | 0 | 0 | 0 | 111.3 | F365 F368 S370 D371 N372 E376 T377 F378 W402 I425 H428 L429 V432 | F365-F374 HydrophobicContact CD1-CE2 4.14Å; F365-F374 HydrophobicContact CE1-CD2 4.48Å; F365-F374 AromaticContact CE1-CE2 3.83Å; F365-F374 HydrophobicContact CE1-CE2 3.83Å; F368-F374 HydrophobicContact CD2-CD2 4.38Å; F368-F374 HydrophobicContact CE2-CD2 4.34Å; S370-F374 PolarHBondContact O-N 3.32Å; D371-F374 PolarHBondContact O-N 3.37Å; N372-F374 VanDerWaalsContact C-N 3.32Å; F374-E376 PolarHBondContact O-N 3.44Å; F374-T377 PolarHBondContact O-N 3.14Å; F374-F378 WeakPolarHBondContact O-CB 3.28Å; F374-F378 PolarHBondContact O-N 2.97Å; F374-W402 AromaticContact CD2-CH2 3.99Å; F374-W402 HydrophobicContact CD2-CH2 3.99Å; F374-W402 HydrophobicContact CD2-CZ3 4.38Å; F374-W402 AromaticContact CE2-CH2 3.65Å; F374-W402 HydrophobicContact CE2-CH2 3.65Å; F374-W402 AromaticContact CE2-CZ3 3.58Å; F374-W402 HydrophobicContact CE2-CZ3 3.58Å; F374-W402 HydrophobicContact CZ-CZ3 4.24Å; F374-I425 HydrophobicContact CZ-CG2 4.32Å; F374-H428 AromaticContact CE2-CD2 3.74Å; F374-H428 AromaticContact CZ-CD2 3.78Å; F374-L429 HydrophobicContact CE1-CB 4.26Å; F374-L429 HydrophobicContact CE1-CD1 4.15Å; F374-V432 HydrophobicContact CD1-CB 4.41Å; F374-V432 HydrophobicContact CD1-CG1 4.38Å; F374-V432 HydrophobicContact CD1-CG2 4.03Å; F374-V432 HydrophobicContact CE1-CG2 4.38Å |
| 375 | L | 66.3 | Low | 60.3 | Low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67 | -37.5 | -178 | -163.9 | 68.8 | 0 | 0 | 0 | 113 | D371 N372 F378 C379 L429 L433 I451 V455 L459 | D371-L375 PolarHBondContact O-N 2.86Å; N372-L375 PolarHBondContact O-N 3.46Å; L375-F378 PolarHBondContact O-N 3.17Å; L375-C379 PolarHBondContact O-N 3.32Å; L375-C379 PolarHBondContact O-SG 3.42Å; L375-L429 HydrophobicContact CD1-CD1 4.21Å; L375-L433 HydrophobicContact CD1-CD2 4.33Å; L375-I451 HydrophobicContact CD2-CD1 4.49Å; L375-I451 HydrophobicContact CD2-CG2 3.51Å; L375-V455 HydrophobicContact CB-CG1 4.49Å; L375-V455 HydrophobicContact CD2-CB 4.22Å; L375-V455 HydrophobicContact CD2-CG1 3.44Å; L375-V455 VanDerWaalsContact CD2-CG1 3.44Å; L375-V455 HydrophobicContact CG-CG1 3.79Å; L375-L459 HydrophobicContact CD1-CD2 4.23Å |
| 376 | E | 64.9 | Low | 60.8 | Low | 101 Ų | 101 | 56.5 Ų | 56.5 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 172.9 | -78.4 | -174.4 | 175.4 | 0 | 0 | 112.1 | N372 F374 C379 R380 | N372-E376 WeakPolarHBondContact O-CB 3.33Å; N372-E376 WeakPolarHBondContact O-CG 3.45Å; N372-E376 PolarHBondContact O-N 3.35Å; F374-E376 PolarHBondContact O-N 3.44Å; E376-C379 PolarHBondContact O-N 2.92Å; E376-R380 WeakPolarHBondContact O-CG 3.27Å; E376-R380 PolarHBondContact O-N 3.36Å |
| 377 | T | 63.9 | Low | 61.1 | Low | 49 Ų | 49 | 60 Ų | 60 | 30% | 0.301 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.4 | -38.4 | 177.4 | -50 | 0 | 0 | 0 | 0 | 111.1 | F368 Q373 F374 R380 L381 | F368-T377 HydrophobicContact CE1-CG2 4.3Å; F368-T377 WeakPolarHBondContact CE1-OG1 3.39Å; F368-T377 HydrophobicContact CZ-CG2 4Å; Q373-T377 WeakPolarHBondContact O-CB 3.34Å; Q373-T377 PolarHBondContact O-N 2.72Å; Q373-T377 VanDerWaalsContact O-N 3.07Å; Q373-T377 PolarHBondContact O-OG1 3.42Å; F374-T377 PolarHBondContact O-N 3.14Å; T377-R380 PolarHBondContact O-N 3.41Å; T377-L381 HydrophobicContact CG2-CD1 4.3Å; T377-L381 WeakPolarHBondContact O-CG 3.45Å; T377-L381 PolarHBondContact O-N 3.48Å |
| 378 | F | 69.6 | Low | 61.6 | Low | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 172.7 | -167.9 | -92.2 | 0 | 0 | 0 | 112.2 | F374 L375 R380 L381 L382 F397 W398 I425 L429 L459 | F374-F378 WeakPolarHBondContact O-CB 3.28Å; F374-F378 PolarHBondContact O-N 2.97Å; L375-F378 PolarHBondContact O-N 3.17Å; F378-R380 PolarHBondContact O-N 3.12Å; F378-L381 PolarHBondContact O-N 3.47Å; F378-L382 HydrophobicContact CD1-CD1 3.68Å; F378-L382 HydrophobicContact CD1-CG 4.49Å; F378-L382 HydrophobicContact CE1-CD1 3.33Å; F378-L382 HydrophobicContact CE1-CG 4.2Å; F378-L382 HydrophobicContact CZ-CD1 4.24Å; F378-L382 PolarHBondContact O-N 3.33Å; F378-F397 AromaticContact CD2-CE2 3.8Å; F378-F397 HydrophobicContact CD2-CE2 3.8Å; F378-F397 HydrophobicContact CD2-CZ 4.12Å; F378-F397 AromaticContact CE2-CE2 3.65Å; F378-F397 HydrophobicContact CE2-CE2 3.65Å; F378-F397 AromaticContact CE2-CZ 3.91Å; F378-F397 HydrophobicContact CE2-CZ 3.91Å; F378-F397 HydrophobicContact CZ-CE2 4.44Å; F378-F397 HydrophobicContact CZ-CZ 4.29Å; F378-W398 HydrophobicContact CE2-CB 4.13Å; F378-W398 HydrophobicContact CZ-CB 4.38Å; F378-I425 HydrophobicContact CE2-CG2 4.37Å; F378-L429 HydrophobicContact CB-CD1 4.48Å; F378-L429 HydrophobicContact CD1-CD1 3.64Å; F378-L429 HydrophobicContact CD2-CD1 3.83Å; F378-L429 HydrophobicContact CE1-CD1 3.67Å; F378-L429 HydrophobicContact CE1-CD2 4.46Å; F378-L429 HydrophobicContact CE2-CD1 3.88Å; F378-L429 HydrophobicContact CG-CD1 3.72Å; F378-L429 HydrophobicContact CZ-CD1 3.81Å; F378-L429 HydrophobicContact CZ-CD2 4.32Å; F378-L459 HydrophobicContact CD1-CD1 3.65Å; F378-L459 HydrophobicContact CE1-CD1 3.74Å |
| 379 | C | 68.7 | Low | 61.6 | Low | 4 Ų | 4 | 59.5 Ų | 59.5 | 3% | 0.027 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 175.4 | -69.5 | 0 | 0 | 0 | 0 | 112.2 | L375 E376 L382 E383 L462 | L375-C379 PolarHBondContact O-N 3.32Å; L375-C379 PolarHBondContact O-SG 3.42Å; E376-C379 PolarHBondContact O-N 2.92Å; C379-L382 PolarHBondContact O-N 3.3Å; C379-E383 WeakPolarHBondContact O-CB 3.43Å; C379-E383 WeakPolarHBondContact O-CG 3.42Å; C379-E383 PolarHBondContact O-N 2.94Å; C379-L462 HydrophobicContact CB-CD1 4.29Å |
| 380 | R | 67.3 | Low | 61.4 | Low | 103 Ų | 103 | 59.1 Ų | 59.1 | 39% | 0.389 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 176.1 | -76.5 | -175.8 | -175.3 | 175.9 | 6.1 | 112 | S358 E376 T377 F378 E383 V384 | S358-R380 PolarHBondContact OG-NH1 3.07Å; E376-R380 WeakPolarHBondContact O-CG 3.27Å; E376-R380 PolarHBondContact O-N 3.36Å; T377-R380 PolarHBondContact O-N 3.41Å; F378-R380 PolarHBondContact O-N 3.12Å; R380-E383 PolarHBondContact O-N 3.42Å; R380-V384 VanDerWaalsContact O-CG2 3.31Å; R380-V384 WeakPolarHBondContact O-CG2 3.41Å; R380-V384 PolarHBondContact O-N 3.35Å |
| 381 | L | 66.4 | Low | 60.9 | Low | 63 Ų | 63 | 64.6 Ų | 64.6 | 33% | 0.33 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 175.4 | -76.6 | 160.6 | 0 | 0 | 0 | 112 | F365 T377 F378 N385 F397 | F365-L381 HydrophobicContact CZ-CD1 4.31Å; T377-L381 HydrophobicContact CG2-CD1 4.3Å; T377-L381 WeakPolarHBondContact O-CG 3.45Å; T377-L381 PolarHBondContact O-N 3.48Å; F378-L381 PolarHBondContact O-N 3.47Å; L381-N385 PolarHBondContact O-N 3.13Å; L381-N385 VanDerWaalsContact O-N 3.16Å; L381-F397 HydrophobicContact CB-CE1 3.95Å; L381-F397 HydrophobicContact CB-CE2 4.05Å; L381-F397 HydrophobicContact CB-CZ 3.61Å; L381-F397 HydrophobicContact CD1-CD2 4.46Å; L381-F397 HydrophobicContact CD1-CE2 4.07Å; L381-F397 HydrophobicContact CD1-CZ 4.49Å |
| 382 | L | 67.5 | Low | 60.4 | Low | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 172.5 | -88.8 | 167.3 | 0 | 0 | 0 | 112.7 | F378 C379 N385 T386 F397 W398 L459 | F378-L382 HydrophobicContact CD1-CD1 3.68Å; F378-L382 HydrophobicContact CD1-CG 4.49Å; F378-L382 HydrophobicContact CE1-CD1 3.33Å; F378-L382 HydrophobicContact CE1-CG 4.2Å; F378-L382 HydrophobicContact CZ-CD1 4.24Å; F378-L382 PolarHBondContact O-N 3.33Å; C379-L382 PolarHBondContact O-N 3.3Å; L382-N385 WeakPolarHBondContact O-CB 3.39Å; L382-N385 PolarHBondContact O-N 3.1Å; L382-T386 VanDerWaalsContact O-CG2 3.29Å; L382-T386 WeakPolarHBondContact O-CG2 3.43Å; L382-T386 PolarHBondContact O-N 3.36Å; L382-F397 HydrophobicContact CG-CE1 4.46Å; L382-F397 HydrophobicContact CG-CZ 4.35Å; L382-W398 HydrophobicContact CD2-CZ3 4.18Å; L382-L459 HydrophobicContact CD1-CD1 3.65Å |
| 383 | E | 66.9 | Low | 60 | Low | 55 Ų | 55 | 72.4 Ų | 72.4 | 26% | 0.257 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 176.4 | -80.3 | 175.3 | 171.9 | 0 | 0 | 111.6 | C379 R380 N385 T386 L387 K458 L462 | C379-E383 WeakPolarHBondContact O-CB 3.43Å; C379-E383 WeakPolarHBondContact O-CG 3.42Å; C379-E383 PolarHBondContact O-N 2.94Å; R380-E383 PolarHBondContact O-N 3.42Å; E383-N385 VanDerWaalsContact C-N 3.29Å; E383-N385 PolarHBondContact O-N 3.13Å; E383-T386 WeakPolarHBondContact CA-OG1 3.24Å; E383-T386 PolarHBondContact O-N 3.39Å; E383-T386 PolarHBondContact O-OG1 3.45Å; E383-L387 WeakPolarHBondContact O-CB 3.31Å; E383-L387 WeakPolarHBondContact O-CD1 3.47Å; E383-L387 PolarHBondContact O-N 2.79Å; E383-K458 WeakPolarHBondContact OE1-CE 3.49Å; E383-K458 IonicContact OE1-NZ 2.81Å; E383-K458 PolarHBondContact OE1-NZ 2.9Å; E383-K458 IonicContact OE2-NZ 2.75Å; E383-L462 HydrophobicContact CG-CD1 3.75Å; E383-L462 HydrophobicContact CG-CD2 3.71Å; E383-L462 HydrophobicContact CG-CG 4.41Å |
| 384 | V | 65.6 | Low | 59.7 | Low | 83 Ų | 83 | 70.7 Ų | 70.7 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | R380 T386 L387 D388 | R380-V384 VanDerWaalsContact O-CG2 3.31Å; R380-V384 WeakPolarHBondContact O-CG2 3.41Å; R380-V384 PolarHBondContact O-N 3.35Å; V384-T386 VanDerWaalsContact C-N 3.31Å; V384-T386 PolarHBondContact O-N 3.31Å; V384-L387 PolarHBondContact O-N 3.01Å; V384-D388 PolarHBondContact O-N 3.43Å |
| 385 | N | 61 | Low | 59.3 | Low | 35 Ų | 35 | 75.7 Ų | 75.7 | 19% | 0.187 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.8 | -25.6 | 175.4 | -81.8 | -14 | 0 | 0 | 0 | 114.4 | L381 L382 E383 N395 F397 | L381-N385 PolarHBondContact O-N 3.13Å; L381-N385 VanDerWaalsContact O-N 3.16Å; L382-N385 WeakPolarHBondContact O-CB 3.39Å; L382-N385 PolarHBondContact O-N 3.1Å; E383-N385 VanDerWaalsContact C-N 3.29Å; E383-N385 PolarHBondContact O-N 3.13Å; N385-N395 PolarHBondContact ND2-O 3.01Å; N385-N395 VanDerWaalsContact ND2-O 3.15Å; N385-F397 WeakPolarHBondContact ND2-CD1 3.49Å |
| 386 | T | 57 | Low | 59 | Low | 28 Ų | 28 | 78.1 Ų | 78.1 | 17% | 0.172 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -82.4 | -27.5 | 175.2 | 61.9 | 0 | 0 | 0 | 0 | 113.1 | L382 E383 V384 Q466 | L382-T386 VanDerWaalsContact O-CG2 3.29Å; L382-T386 WeakPolarHBondContact O-CG2 3.43Å; L382-T386 PolarHBondContact O-N 3.36Å; E383-T386 WeakPolarHBondContact CA-OG1 3.24Å; E383-T386 PolarHBondContact O-N 3.39Å; E383-T386 PolarHBondContact O-OG1 3.45Å; V384-T386 VanDerWaalsContact C-N 3.31Å; V384-T386 PolarHBondContact O-N 3.31Å; T386-Q466 HydrophobicContact CG2-CB 4.46Å |
| 387 | L | 53.7 | Low | 59.1 | Low | 132 Ų | 132 | 74.4 Ų | 74.4 | 69% | 0.691 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -85 | -26.3 | -177.5 | -87.2 | 148.9 | 0 | 0 | 0 | 113.3 | E383 V384 S389 | E383-L387 WeakPolarHBondContact O-CB 3.31Å; E383-L387 WeakPolarHBondContact O-CD1 3.47Å; E383-L387 PolarHBondContact O-N 2.79Å; V384-L387 PolarHBondContact O-N 3.01Å; L387-S389 PolarHBondContact O-N 2.94Å |
| 388 | D | 53.5 | Low | 59.2 | Low | 107 Ų | 107 | 72.3 Ų | 72.3 | 57% | 0.572 | 38% | 0.377 | S | S | * | . | trans | -77.3 | 47.5 | 176.8 | -94.1 | -11.3 | 0 | 0 | 0 | 112.9 | V384 H390 | V384-D388 PolarHBondContact O-N 3.43Å; D388-H390 PolarHBondContact O-N 2.94Å | ||
| 389 | S | 47.4 | Very low | 58.7 | Low | 93 Ų | 93 | 76.4 Ų | 76.4 | 65% | 0.65 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 11.8 | -177.6 | 67.7 | 0 | 0 | 0 | 0 | 115.7 | L387 | L387-S389 PolarHBondContact O-N 2.94Š|
| 390 | H | 47 | Very low | 58.3 | Low | 176 Ų | 176 | 81.7 Ų | 81.7 | 82% | 0.815 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | 3.7 | -171.4 | -78.4 | -60.7 | 0 | 0 | 0 | 115.1 | D388 | D388-H390 PolarHBondContact O-N 2.94Š|
| 391 | K | 44 | Very low | 57.5 | Low | 163 Ų | 163 | 80.4 Ų | 80.4 | 71% | 0.709 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -125.6 | 134.2 | 174.2 | -74.5 | 178.7 | 179.7 | 170.1 | 0 | 110.9 | S393 | K391-S393 PolarHBondContact O-N 2.94Š|
| 392 | D | 48.8 | Very low | 56.8 | Low | 168 Ų | 168 | 79.7 Ų | 79.7 | 90% | 0.898 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -59.7 | 21.6 | -175.3 | -71.1 | -51.7 | 0 | 0 | 0 | 116.4 | ||
| 393 | S | 51.3 | Low | 55.9 | Low | 78 Ų | 78 | 86 Ų | 86 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | trans | -145.7 | 105.7 | -173.3 | 59.4 | 0 | 0 | 0 | 0 | 112.6 | K391 N395 | K391-S393 PolarHBondContact O-N 2.94Å; S393-N395 PolarHBondContact O-N 3.45Å | ||
| 394 | I | 55.3 | Low | 54.9 | Low | 39 Ų | 39 | 88.4 Ų | 88.4 | 20% | 0.2 | 47% | 0.473 | C | S | . | . | trans | -73.8 | 117 | 164.4 | -65.1 | 170.3 | 0 | 0 | 0 | 107.5 | I396 C470 I504 | I394-I396 PolarHBondContact O-N 2.92Å; I394-C470 VanDerWaalsContact CD1-SG 3.57Å; I394-I504 HydrophobicContact CB-CG2 3.83Å; I394-I504 HydrophobicContact CD1-CG2 3.76Å; I394-I504 HydrophobicContact CG1-CG2 4.32Å; I394-I504 HydrophobicContact CG2-CG2 4.04Å | ||
| 395 | N | 59 | Low | 53.8 | Low | 108 Ų | 108 | 89.9 Ų | 89.9 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | trans | -78.1 | 112.9 | 177.5 | -87.9 | -17.2 | 0 | 0 | 0 | 111.1 | N385 S393 F397 | N385-N395 PolarHBondContact ND2-O 3.01Å; N385-N395 VanDerWaalsContact ND2-O 3.15Å; S393-N395 PolarHBondContact O-N 3.45Å; N395-F397 PolarHBondContact O-N 3.28Å; N395-F397 VanDerWaalsContact O-N 3.1Å | ||
| 396 | I | 60 | Low | 52.8 | Low | 51 Ų | 51 | 92.4 Ų | 92.4 | 26% | 0.262 | 51% | 0.507 | S | S | . | . | trans | -82.7 | 79.6 | 176.3 | -49 | 172.7 | 0 | 0 | 0 | 109.5 | I394 W398 I399 I504 | I394-I396 PolarHBondContact O-N 2.92Å; I396-W398 HydrophobicContact CG2-CD2 4.21Å; I396-W398 HydrophobicContact CG2-CZ2 3.89Å; I396-I399 HydrophobicContact CG2-CB 4.33Å; I396-I399 HydrophobicContact CG2-CD1 3.37Å; I396-I399 HydrophobicContact CG2-CG1 3.65Å; I396-I504 HydrophobicContact CD1-CG1 4.05Å | ||
| 397 | F | 66.4 | Low | 51.7 | Low | 24 Ų | 24 | 96 Ų | 96 | 11% | 0.105 | 53% | 0.534 | C | S | . | . | G | 310 helix | trans | -79.5 | -24.6 | -174.8 | 69.8 | -92.1 | 0 | 0 | 0 | 113.8 | F378 L381 L382 N385 N395 I399 Q400 | F378-F397 AromaticContact CD2-CE2 3.8Å; F378-F397 HydrophobicContact CD2-CE2 3.8Å; F378-F397 HydrophobicContact CD2-CZ 4.12Å; F378-F397 AromaticContact CE2-CE2 3.65Å; F378-F397 HydrophobicContact CE2-CE2 3.65Å; F378-F397 AromaticContact CE2-CZ 3.91Å; F378-F397 HydrophobicContact CE2-CZ 3.91Å; F378-F397 HydrophobicContact CZ-CE2 4.44Å; F378-F397 HydrophobicContact CZ-CZ 4.29Å; L381-F397 HydrophobicContact CB-CE1 3.95Å; L381-F397 HydrophobicContact CB-CE2 4.05Å; L381-F397 HydrophobicContact CB-CZ 3.61Å; L381-F397 HydrophobicContact CD1-CD2 4.46Å; L381-F397 HydrophobicContact CD1-CE2 4.07Å; L381-F397 HydrophobicContact CD1-CZ 4.49Å; L382-F397 HydrophobicContact CG-CE1 4.46Å; L382-F397 HydrophobicContact CG-CZ 4.35Å; N385-F397 WeakPolarHBondContact ND2-CD1 3.49Å; N395-F397 PolarHBondContact O-N 3.28Å; N395-F397 VanDerWaalsContact O-N 3.1Å; F397-I399 VanDerWaalsContact C-N 3.27Å; F397-I399 PolarHBondContact O-N 2.62Å; F397-Q400 PolarHBondContact O-N 3Å |
| 398 | W | 66.7 | Low | 50.7 | Low | 4 Ų | 4 | 99.4 Ų | 99.4 | 2% | 0.015 | 54% | 0.543 | C | S | . | . | G | 310 helix | trans | -75.2 | -6.9 | -173.7 | 51 | 88.4 | 0 | 0 | 0 | 115.1 | F378 L382 I396 E426 V508 L511 | F378-W398 HydrophobicContact CE2-CB 4.13Å; F378-W398 HydrophobicContact CZ-CB 4.38Å; L382-W398 HydrophobicContact CD2-CZ3 4.18Å; I396-W398 HydrophobicContact CG2-CD2 4.21Å; I396-W398 HydrophobicContact CG2-CZ2 3.89Å; W398-E426 PolarHBondContact O-N 3.04Å; W398-E426 VanDerWaalsContact O-N 3.13Å; W398-V508 HydrophobicContact CH2-CG2 4.4Å; W398-V508 HydrophobicContact CZ2-CG2 4.23Å; W398-L511 HydrophobicContact CD2-CD2 4.17Å; W398-L511 HydrophobicContact CZ2-CD2 4.2Å |
| 399 | I | 59.8 | Low | 49.4 | Very low | 89 Ų | 89 | 100.4 Ų | 100.4 | 46% | 0.456 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -89.1 | -6.3 | 177.3 | -62.3 | -179.8 | 0 | 0 | 0 | 112 | I396 F397 | I396-I399 HydrophobicContact CG2-CB 4.33Å; I396-I399 HydrophobicContact CG2-CD1 3.37Å; I396-I399 HydrophobicContact CG2-CG1 3.65Å; F397-I399 VanDerWaalsContact C-N 3.27Å; F397-I399 PolarHBondContact O-N 2.62Å |
| 400 | Q | 59.5 | Low | 48.5 | Very low | 115 Ų | 115 | 101 Ų | 101 | 54% | 0.537 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -70.9 | 142.6 | -178.6 | -67.5 | -179.5 | -9.9 | 0 | 0 | 112.3 | F397 I425 | F397-Q400 PolarHBondContact O-N 3Å; Q400-I425 HydrophobicContact CB-CD1 4.02Å; Q400-I425 PolarHBondContact O-N 3.11Å |
| 401 | P | 51.4 | Low | 47.6 | Very low | 76 Ų | 76 | 99.5 Ų | 99.5 | 49% | 0.494 | 56% | 0.56 | S | S | . | * | B | Isolated β-bridge | trans | -69.7 | 140.7 | 178.2 | 27.2 | -32.2 | 0 | 0 | 0 | 111.7 | D403 L422 | P401-D403 PolarHBondContact O-N 2.82Å; P401-L422 HydrophobicContact CB-CD2 4.12Å |
| 402 | W | 51.9 | Low | 46.8 | Very low | 48 Ų | 48 | 99.1 Ų | 99.1 | 18% | 0.182 | 57% | 0.566 | C | S | . | * | trans | -82.3 | 110.3 | 178.6 | -165 | -73.3 | 0 | 0 | 0 | 111.2 | F365 F374 T404 T423 I425 H428 | F365-W402 HydrophobicContact CB-CH2 4.26Å; F365-W402 HydrophobicContact CB-CZ2 4.38Å; F365-W402 HydrophobicContact CD1-CE3 4.46Å; F365-W402 AromaticContact CD1-CH2 3.62Å; F365-W402 HydrophobicContact CD1-CH2 3.62Å; F365-W402 AromaticContact CD1-CZ3 3.58Å; F365-W402 HydrophobicContact CD1-CZ3 3.58Å; F365-W402 HydrophobicContact CE1-CH2 4.44Å; F365-W402 HydrophobicContact CE1-CZ3 4.08Å; F365-W402 HydrophobicContact CG-CH2 4.33Å; F365-W402 HydrophobicContact CG-CZ3 4.29Å; F374-W402 AromaticContact CD2-CH2 3.99Å; F374-W402 HydrophobicContact CD2-CH2 3.99Å; F374-W402 HydrophobicContact CD2-CZ3 4.38Å; F374-W402 AromaticContact CE2-CH2 3.65Å; F374-W402 HydrophobicContact CE2-CH2 3.65Å; F374-W402 AromaticContact CE2-CZ3 3.58Å; F374-W402 HydrophobicContact CE2-CZ3 3.58Å; F374-W402 HydrophobicContact CZ-CZ3 4.24Å; W402-T404 PolarHBondContact O-N 3.32Å; W402-T404 VanDerWaalsContact O-N 3.12Å; W402-T423 WeakPolarHBondContact CB-O 3.14Å; W402-T423 PolarHBondContact N-O 3.43Å; W402-I425 HydrophobicContact CE3-CB 4.44Å; W402-I425 HydrophobicContact CE3-CG1 3.79Å; W402-I425 HydrophobicContact CZ3-CG1 4.15Å; W402-H428 HydrophobicContact CE3-CB 4.03Å; W402-H428 AromaticContact CH2-CD2 3.28Å; W402-H428 WeakPolarHBondContact CH2-CD2 3.49Å; W402-H428 AromaticContact CH2-NE2 3.78Å; W402-H428 AromaticContact CZ2-CD2 3.87Å; W402-H428 HydrophobicContact CZ3-CB 4.05Å; W402-H428 AromaticContact CZ3-CD2 3.42Å; W402-H428 VanDerWaalsContact CZ3-CD2 3.42Å; W402-H428 WeakPolarHBondContact CZ3-CD2 3.31Å; W402-H428 AromaticContact CZ3-CG 3.95Å | ||
| 403 | D | 47.5 | Very low | 45.8 | Very low | 133 Ų | 133 | 99.4 Ų | 99.4 | 71% | 0.711 | 56% | 0.564 | S | S | * | * | trans | -75.8 | 99 | 178 | -80.6 | -30.8 | 0 | 0 | 0 | 111.5 | P401 S405 | P401-D403 PolarHBondContact O-N 2.82Å; D403-S405 VanDerWaalsContact C-N 3.26Å; D403-S405 PolarHBondContact O-N 3.09Å | ||
| 404 | T | 46.2 | Very low | 44.6 | Very low | 107 Ų | 107 | 104.9 Ų | 104.9 | 66% | 0.656 | 58% | 0.581 | S | S | * | * | trans | -82.7 | 13.5 | 176.8 | 28.9 | 0 | 0 | 0 | 0 | 114.2 | W402 S406 | W402-T404 PolarHBondContact O-N 3.32Å; W402-T404 VanDerWaalsContact O-N 3.12Å; T404-S406 PolarHBondContact O-N 3.36Å | ||
| 405 | S | 43.3 | Very low | 43.3 | Very low | 114 Ų | 114 | 108.6 Ų | 108.6 | 80% | 0.797 | 61% | 0.611 | S | S | * | * | trans | -80.8 | -7.7 | -165.6 | 64.8 | 0 | 0 | 0 | 0 | 116.3 | D403 | D403-S405 VanDerWaalsContact C-N 3.26Å; D403-S405 PolarHBondContact O-N 3.09Å | ||
| 406 | S | 38.7 | Very low | 41.8 | Very low | 87 Ų | 87 | 113.2 Ų | 113.2 | 61% | 0.608 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -110.7 | -11 | -169.2 | 61.2 | 0 | 0 | 0 | 0 | 117.3 | T404 K408 | T404-S406 PolarHBondContact O-N 3.36Å; S406-K408 PolarHBondContact O-N 3.28Å |
| 407 | S | 34.8 | Very low | 40.2 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 73% | 0.734 | 65% | 0.652 | S | S | * | * | trans | -101.8 | 68.4 | -173.6 | 68.8 | 0 | 0 | 0 | 0 | 114.4 | T409 | S407-T409 PolarHBondContact O-N 3.07Š| ||
| 408 | K | 31.6 | Very low | 38.3 | Very low | 203 Ų | 203 | 121.6 Ų | 121.6 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | trans | -91.2 | 75 | 159.2 | -83.2 | -176.5 | 179 | 173.6 | 0 | 109.4 | S406 | S406-K408 PolarHBondContact O-N 3.28Š| ||
| 409 | T | 27.9 | Very low | 36.4 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -167.9 | 106.6 | 159 | 5.5 | 0 | 0 | 0 | 0 | 112 | S407 | S407-T409 PolarHBondContact O-N 3.07Š|
| 410 | S | 28.3 | Very low | 35 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | 54.9 | 92.6 | 146.7 | 62.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 411 | V | 28 | Very low | 33.9 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | -149.4 | 131.2 | 120.5 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | M413 | V411-M413 PolarHBondContact O-N 3.42Š| |||
| 412 | N | 25.9 | Very low | 33.1 | Very low | 156 Ų | 156 | 132 Ų | 132 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -61.9 | 120.4 | -175.1 | -72.2 | -27.1 | 0 | 0 | 0 | 112.9 | ||||
| 413 | M | 28.8 | Very low | 33.1 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -133.6 | 93.7 | 159.4 | -88.8 | -78.5 | -174 | 0 | 0 | 107.9 | V411 S415 | V411-M413 PolarHBondContact O-N 3.42Å; M413-S415 PolarHBondContact O-N 3.36Å | ||
| 414 | E | 24.9 | Very low | 33.8 | Very low | 192 Ų | 192 | 127.3 Ų | 127.3 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | trans | -82.3 | 98.9 | 168.9 | -74.3 | -173.8 | 154.8 | 0 | 0 | 109.6 | ||||
| 415 | S | 29.3 | Very low | 34.4 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | trans | -175.5 | 120.3 | 132.4 | 61.2 | 0 | 0 | 0 | 0 | 112 | M413 | M413-S415 PolarHBondContact O-N 3.36Š| ||
| 416 | K | 27.3 | Very low | 35.5 | Very low | 204 Ų | 204 | 118.3 Ų | 118.3 | 89% | 0.887 | 69% | 0.685 | S | S | * | * | trans | -33.1 | 129.5 | 171.1 | -66.3 | 160.5 | 173.6 | 172.3 | 0 | 115.1 | ||||
| 417 | V | 27.1 | Very low | 36.5 | Very low | 134 Ų | 134 | 117.4 Ų | 117.4 | 81% | 0.812 | 67% | 0.674 | S | S | * | * | 162 | 141 | 119.6 | 163.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 418 | C | 26.6 | Very low | 37.8 | Very low | 117 Ų | 117 | 114.7 Ų | 114.7 | 79% | 0.791 | 65% | 0.649 | S | S | * | * | trans | 85.8 | 66.8 | 177.7 | -71 | 0 | 0 | 0 | 0 | 118.6 | G420 | C418-G420 PolarHBondContact O-N 2.94Š| ||
| 419 | S | 26.6 | Very low | 39.5 | Very low | 128 Ų | 128 | 105 Ų | 105 | 90% | 0.895 | 61% | 0.607 | S | S | * | * | trans | -67.8 | 115.9 | 148 | 53 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 420 | G | 30.4 | Very low | 41.3 | Very low | 74 Ų | 74 | 99.8 Ų | 99.8 | 76% | 0.763 | 57% | 0.573 | S | S | * | * | trans | 117.9 | 62.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | C418 | C418-G420 PolarHBondContact O-N 2.94Š| ||
| 421 | I | 35.5 | Very low | 43 | Very low | 156 Ų | 156 | 99.5 Ų | 99.5 | 80% | 0.8 | 56% | 0.561 | S | S | * | * | trans | -142.6 | 126.1 | 158.5 | -55.2 | 178 | 0 | 0 | 0 | 107.3 | T423 | I421-T423 PolarHBondContact O-N 3.41Å; I421-T423 VanDerWaalsContact O-N 3.13Å | ||
| 422 | L | 35.5 | Very low | 44.5 | Very low | 146 Ų | 146 | 92.8 Ų | 92.8 | 76% | 0.764 | 52% | 0.52 | S | S | * | . | trans | -59.8 | 112.1 | 176.1 | -82.2 | 98.9 | 0 | 0 | 0 | 109.3 | P401 | P401-L422 HydrophobicContact CB-CD2 4.12Š| ||
| 423 | T | 51.9 | Low | 46.2 | Very low | 43 Ų | 43 | 85.5 Ų | 85.5 | 26% | 0.264 | 48% | 0.481 | S | S | . | . | trans | -82.3 | 123.4 | 176.4 | 45.8 | 0 | 0 | 0 | 0 | 109.8 | W402 I421 | W402-T423 WeakPolarHBondContact CB-O 3.14Å; W402-T423 PolarHBondContact N-O 3.43Å; I421-T423 PolarHBondContact O-N 3.41Å; I421-T423 VanDerWaalsContact O-N 3.13Å | ||
| 424 | T | 60.9 | Low | 47.9 | Very low | 38 Ų | 38 | 79.2 Ų | 79.2 | 23% | 0.233 | 45% | 0.45 | C | S | . | . | B | Isolated β-bridge | trans | -76.6 | 162.9 | 170 | 60.4 | 0 | 0 | 0 | 0 | 110.8 | E426 D427 H428 | T424-E426 PolarHBondContact O-N 3.49Å; T424-D427 PolarHBondContact N-OD2 3.19Å; T424-D427 WeakPolarHBondContact O-CB 3.27Å; T424-D427 PolarHBondContact O-N 2.92Å; T424-D427 PolarHBondContact OG1-N 3.11Å; T424-D427 PolarHBondContact OG1-OD2 3.41Å; T424-H428 PolarHBondContact O-N 3.08Å; T424-H428 VanDerWaalsContact O-N 3.09Å |
| 425 | I | 60.1 | Low | 49.4 | Very low | 4 Ų | 4 | 72.3 Ų | 72.3 | 2% | 0.021 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.1 | -33.4 | 173.4 | -65.3 | 160.8 | 0 | 0 | 0 | 111 | F365 F374 F378 Q400 W402 H428 L429 | F365-I425 HydrophobicContact CD2-CD1 4.21Å; F365-I425 HydrophobicContact CE1-CD1 4.35Å; F365-I425 HydrophobicContact CE1-CG1 4.45Å; F365-I425 HydrophobicContact CE1-CG2 4.18Å; F365-I425 HydrophobicContact CE2-CD1 3.62Å; F365-I425 HydrophobicContact CE2-CG1 4.47Å; F365-I425 HydrophobicContact CZ-CD1 3.71Å; F365-I425 HydrophobicContact CZ-CG1 4.27Å; F365-I425 HydrophobicContact CZ-CG2 4.17Å; F374-I425 HydrophobicContact CZ-CG2 4.32Å; F378-I425 HydrophobicContact CE2-CG2 4.37Å; Q400-I425 HydrophobicContact CB-CD1 4.02Å; Q400-I425 PolarHBondContact O-N 3.11Å; W402-I425 HydrophobicContact CE3-CB 4.44Å; W402-I425 HydrophobicContact CE3-CG1 3.79Å; W402-I425 HydrophobicContact CZ3-CG1 4.15Å; I425-H428 PolarHBondContact O-N 2.78Å; I425-L429 PolarHBondContact O-N 3.24Å |
| 426 | E | 64.6 | Low | 50.4 | Low | 28 Ų | 28 | 67.3 Ų | 67.3 | 13% | 0.131 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.1 | -47 | 171 | -142 | -164.5 | 136.2 | 0 | 0 | 111.7 | W398 T424 H428 L429 Y430 K514 | W398-E426 PolarHBondContact O-N 3.04Å; W398-E426 VanDerWaalsContact O-N 3.13Å; T424-E426 PolarHBondContact O-N 3.49Å; E426-H428 VanDerWaalsContact C-N 3.31Å; E426-H428 PolarHBondContact O-N 3.29Å; E426-L429 WeakPolarHBondContact O-CB 3.23Å; E426-L429 PolarHBondContact O-N 2.9Å; E426-Y430 HydrophobicContact CB-CE2 4.13Å; E426-Y430 HydrophobicContact CG-CD2 4.42Å; E426-Y430 HydrophobicContact CG-CE2 3.44Å; E426-Y430 VanDerWaalsContact CG-CE2 3.44Å; E426-Y430 WeakPolarHBondContact CG-OH 3.41Å; E426-Y430 WeakPolarHBondContact O-CD2 3.41Å; E426-Y430 WeakPolarHBondContact O-CE2 3.48Å; E426-Y430 PolarHBondContact O-N 3.36Å; E426-Y430 WeakPolarHBondContact OE1-CE2 3.41Å; E426-Y430 PolarHBondContact OE1-OH 2.96Å; E426-K514 IonicContact OE1-NZ 2.83Å; E426-K514 PolarHBondContact OE1-NZ 2.94Å |
| 427 | D | 60.2 | Low | 51.3 | Low | 68 Ų | 68 | 62.8 Ų | 62.8 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 178.6 | -60.2 | -43 | 0 | 0 | 0 | 112 | T424 Y430 Q431 | T424-D427 PolarHBondContact N-OD2 3.19Å; T424-D427 WeakPolarHBondContact O-CB 3.27Å; T424-D427 PolarHBondContact O-N 2.92Å; T424-D427 PolarHBondContact OG1-N 3.11Å; T424-D427 PolarHBondContact OG1-OD2 3.41Å; D427-Y430 PolarHBondContact O-N 3.11Å; D427-Q431 WeakPolarHBondContact O-CG 3.49Å; D427-Q431 PolarHBondContact O-N 2.87Å |
| 428 | H | 62.2 | Low | 52.3 | Low | 49 Ų | 49 | 59.8 Ų | 59.8 | 23% | 0.227 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.7 | -36.9 | 175.6 | -164.5 | 56.2 | 0 | 0 | 0 | 112.1 | F374 W402 T424 I425 E426 Q431 V432 | F374-H428 AromaticContact CE2-CD2 3.74Å; F374-H428 AromaticContact CZ-CD2 3.78Å; W402-H428 HydrophobicContact CE3-CB 4.03Å; W402-H428 AromaticContact CH2-CD2 3.28Å; W402-H428 WeakPolarHBondContact CH2-CD2 3.49Å; W402-H428 AromaticContact CH2-NE2 3.78Å; W402-H428 AromaticContact CZ2-CD2 3.87Å; W402-H428 HydrophobicContact CZ3-CB 4.05Å; W402-H428 AromaticContact CZ3-CD2 3.42Å; W402-H428 VanDerWaalsContact CZ3-CD2 3.42Å; W402-H428 WeakPolarHBondContact CZ3-CD2 3.31Å; W402-H428 AromaticContact CZ3-CG 3.95Å; T424-H428 PolarHBondContact O-N 3.08Å; T424-H428 VanDerWaalsContact O-N 3.09Å; I425-H428 PolarHBondContact O-N 2.78Å; E426-H428 VanDerWaalsContact C-N 3.31Å; E426-H428 PolarHBondContact O-N 3.29Å; H428-Q431 PolarHBondContact O-N 3.1Å; H428-V432 VanDerWaalsContact O-CG2 3.31Å; H428-V432 WeakPolarHBondContact O-CG2 3.37Å; H428-V432 PolarHBondContact O-N 3.22Å |
| 429 | L | 66.6 | Low | 53.3 | Low | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 171.7 | -175.4 | 102 | 0 | 0 | 0 | 111.5 | F374 L375 F378 I425 E426 V432 L433 L511 V515 | F374-L429 HydrophobicContact CE1-CB 4.26Å; F374-L429 HydrophobicContact CE1-CD1 4.15Å; L375-L429 HydrophobicContact CD1-CD1 4.21Å; F378-L429 HydrophobicContact CB-CD1 4.48Å; F378-L429 HydrophobicContact CD1-CD1 3.64Å; F378-L429 HydrophobicContact CD2-CD1 3.83Å; F378-L429 HydrophobicContact CE1-CD1 3.67Å; F378-L429 HydrophobicContact CE1-CD2 4.46Å; F378-L429 HydrophobicContact CE2-CD1 3.88Å; F378-L429 HydrophobicContact CG-CD1 3.72Å; F378-L429 HydrophobicContact CZ-CD1 3.81Å; F378-L429 HydrophobicContact CZ-CD2 4.32Å; I425-L429 PolarHBondContact O-N 3.24Å; E426-L429 WeakPolarHBondContact O-CB 3.23Å; E426-L429 PolarHBondContact O-N 2.9Å; L429-V432 PolarHBondContact O-N 3.23Å; L429-L433 HydrophobicContact CD2-CD1 3.81Å; L429-L433 HydrophobicContact CG-CD1 3.84Å; L429-L433 HydrophobicContact CG-CG 4.4Å; L429-L433 WeakPolarHBondContact O-CB 3.42Å; L429-L433 VanDerWaalsContact O-CG 3.27Å; L429-L433 WeakPolarHBondContact O-CG 3.41Å; L429-L433 PolarHBondContact O-N 3.23Å; L429-L511 HydrophobicContact CD2-CD1 4.22Å; L429-V515 HydrophobicContact CD2-CG2 4.34Å |
| 430 | Y | 67.3 | Low | 54 | Low | 16 Ų | 16 | 54 Ų | 54 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 176.6 | -61.1 | -49.3 | 0 | 0 | 0 | 112.4 | E426 D427 V432 L433 L434 K514 F584 | E426-Y430 HydrophobicContact CB-CE2 4.13Å; E426-Y430 HydrophobicContact CG-CD2 4.42Å; E426-Y430 HydrophobicContact CG-CE2 3.44Å; E426-Y430 VanDerWaalsContact CG-CE2 3.44Å; E426-Y430 WeakPolarHBondContact CG-OH 3.41Å; E426-Y430 WeakPolarHBondContact O-CD2 3.41Å; E426-Y430 WeakPolarHBondContact O-CE2 3.48Å; E426-Y430 PolarHBondContact O-N 3.36Å; E426-Y430 WeakPolarHBondContact OE1-CE2 3.41Å; E426-Y430 PolarHBondContact OE1-OH 2.96Å; D427-Y430 PolarHBondContact O-N 3.11Å; Y430-V432 VanDerWaalsContact C-N 3.32Å; Y430-V432 PolarHBondContact O-N 3.23Å; Y430-L433 PolarHBondContact O-N 3.25Å; Y430-L434 WeakPolarHBondContact O-CB 3.29Å; Y430-L434 WeakPolarHBondContact O-CG 3.29Å; Y430-L434 PolarHBondContact O-N 2.91Å; Y430-K514 HydrophobicContact CE1-CB 3.59Å; Y430-K514 HydrophobicContact CE1-CD 4.13Å; Y430-K514 HydrophobicContact CE1-CG 4.49Å; Y430-K514 HydrophobicContact CE2-CD 3.89Å; Y430-K514 VanDerWaalsContact CZ-CD 3.41Å; Y430-K514 WeakPolarHBondContact OH-CB 3.43Å; Y430-K514 WeakPolarHBondContact OH-CD 3.22Å; Y430-F584 AromaticContact CD1-CZ 3.88Å; Y430-F584 HydrophobicContact CD1-CZ 3.88Å; Y430-F584 HydrophobicContact CE1-CZ 4.1Å; Y430-F584 HydrophobicContact CG-CZ 4.25Å |
| 431 | Q | 62.4 | Low | 54.4 | Low | 100 Ų | 100 | 56.7 Ų | 56.7 | 47% | 0.467 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 172.5 | -76 | 175.1 | 4.3 | 0 | 0 | 111.5 | D427 H428 N435 | D427-Q431 WeakPolarHBondContact O-CG 3.49Å; D427-Q431 PolarHBondContact O-N 2.87Å; H428-Q431 PolarHBondContact O-N 3.1Å; Q431-N435 VanDerWaalsContact O-CA 3.24Å; Q431-N435 WeakPolarHBondContact O-CA 3.12Å; Q431-N435 WeakPolarHBondContact O-CB 3.38Å; Q431-N435 PolarHBondContact O-N 3.37Å; Q431-N435 PolarHBondContact O-OD1 2.93Å |
| 432 | V | 60.6 | Low | 54.5 | Low | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 178.2 | 170.8 | 0 | 0 | 0 | 0 | 112.4 | D371 F374 H428 L429 Y430 I451 | D371-V432 HydrophobicContact CB-CG1 4.01Å; F374-V432 HydrophobicContact CD1-CB 4.41Å; F374-V432 HydrophobicContact CD1-CG1 4.38Å; F374-V432 HydrophobicContact CD1-CG2 4.03Å; F374-V432 HydrophobicContact CE1-CG2 4.38Å; H428-V432 VanDerWaalsContact O-CG2 3.31Å; H428-V432 WeakPolarHBondContact O-CG2 3.37Å; H428-V432 PolarHBondContact O-N 3.22Å; L429-V432 PolarHBondContact O-N 3.23Å; Y430-V432 VanDerWaalsContact C-N 3.32Å; Y430-V432 PolarHBondContact O-N 3.23Å; V432-I451 HydrophobicContact CG1-CD1 4.06Å |
| 433 | L | 62.1 | Low | 54.4 | Low | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.8 | -30.5 | 179.7 | -73.5 | 171.5 | 0 | 0 | 0 | 113.3 | L375 L429 Y430 R456 L459 V515 C518 | L375-L433 HydrophobicContact CD1-CD2 4.33Å; L429-L433 HydrophobicContact CD2-CD1 3.81Å; L429-L433 HydrophobicContact CG-CD1 3.84Å; L429-L433 HydrophobicContact CG-CG 4.4Å; L429-L433 WeakPolarHBondContact O-CB 3.42Å; L429-L433 VanDerWaalsContact O-CG 3.27Å; L429-L433 WeakPolarHBondContact O-CG 3.41Å; L429-L433 PolarHBondContact O-N 3.23Å; Y430-L433 PolarHBondContact O-N 3.25Å; L433-R456 PolarHBondContact O-NH1 2.73Å; L433-R456 PolarHBondContact O-NH2 3.38Å; L433-L459 HydrophobicContact CD1-CD2 4.38Å; L433-V515 HydrophobicContact CD1-CG2 4.45Å; L433-C518 HydrophobicContact CB-CB 4.33Å; L433-C518 HydrophobicContact CD1-CB 4.46Å |
| 434 | L | 62.8 | Low | 53.9 | Low | 41 Ų | 41 | 60.5 Ų | 60.5 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 3.7 | 179.9 | -68.2 | 162.6 | 0 | 0 | 0 | 113.1 | Y430 V436 | Y430-L434 WeakPolarHBondContact O-CB 3.29Å; Y430-L434 WeakPolarHBondContact O-CG 3.29Å; Y430-L434 PolarHBondContact O-N 2.91Å; L434-V436 WeakPolarHBondContact O-CA 3.32Å; L434-V436 WeakPolarHBondContact O-CG2 3.24Å; L434-V436 PolarHBondContact O-N 3.39Å |
| 435 | N | 58.2 | Low | 52.9 | Low | 48 Ų | 48 | 63.2 Ų | 63.2 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | trans | -46.9 | 100 | -167.9 | -110.1 | -10.8 | 0 | 0 | 0 | 112 | D371 Q431 D437 Q438 | D371-N435 PolarHBondContact OD2-ND2 3.28Å; Q431-N435 VanDerWaalsContact O-CA 3.24Å; Q431-N435 WeakPolarHBondContact O-CA 3.12Å; Q431-N435 WeakPolarHBondContact O-CB 3.38Å; Q431-N435 PolarHBondContact O-N 3.37Å; Q431-N435 PolarHBondContact O-OD1 2.93Å; N435-D437 PolarHBondContact O-N 3.4Å; N435-Q438 PolarHBondContact O-N 2.97Å | ||
| 436 | V | 49.7 | Very low | 51.8 | Low | 12 Ų | 12 | 69.9 Ų | 69.9 | 7% | 0.073 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -73.7 | -12.6 | -163.7 | -175 | 0 | 0 | 0 | 0 | 112.4 | L434 Q438 F439 K595 | L434-V436 WeakPolarHBondContact O-CA 3.32Å; L434-V436 WeakPolarHBondContact O-CG2 3.24Å; L434-V436 PolarHBondContact O-N 3.39Å; V436-Q438 PolarHBondContact O-N 2.82Å; V436-F439 HydrophobicContact CG1-CD2 4.17Å; V436-F439 PolarHBondContact O-N 3.43Å; V436-K595 HydrophobicContact CB-CD 3.64Å; V436-K595 HydrophobicContact CG1-CB 4.05Å; V436-K595 HydrophobicContact CG1-CD 3.41Å; V436-K595 VanDerWaalsContact CG1-CD 3.41Å; V436-K595 HydrophobicContact CG1-CG 4.39Å; V436-K595 HydrophobicContact CG2-CD 3.76Å |
| 437 | D | 46.6 | Very low | 50.3 | Low | 110 Ų | 110 | 74.5 Ų | 74.5 | 59% | 0.588 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -69.2 | -10.3 | 176.5 | -64.9 | -13.9 | 0 | 0 | 0 | 112.5 | N435 F439 F440 | N435-D437 PolarHBondContact O-N 3.4Å; D437-F439 VanDerWaalsContact C-N 3.35Å; D437-F440 VanDerWaalsContact O-O 3.08Å |
| 438 | Q | 48.1 | Very low | 49.3 | Very low | 71 Ų | 71 | 78.6 Ų | 78.6 | 33% | 0.332 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -73.1 | -21.1 | 171 | -78.3 | -179.4 | -0.2 | 0 | 0 | 114.1 | N435 V436 | N435-Q438 PolarHBondContact O-N 2.97Å; V436-Q438 PolarHBondContact O-N 2.82Å |
| 439 | F | 47.5 | Very low | 48.5 | Very low | 54 Ų | 54 | 80.9 Ų | 80.9 | 24% | 0.237 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -89.4 | -10.4 | -175.1 | -62.7 | -67.9 | 0 | 0 | 0 | 113.6 | V436 D437 M525 | V436-F439 HydrophobicContact CG1-CD2 4.17Å; V436-F439 PolarHBondContact O-N 3.43Å; D437-F439 VanDerWaalsContact C-N 3.35Å; F439-M525 HydrophobicContact CD1-CB 4.31Å; F439-M525 HydrophobicContact CD1-CE 3.66Å; F439-M525 HydrophobicContact CE1-CB 3.4Å; F439-M525 VanDerWaalsContact CE1-CB 3.4Å; F439-M525 HydrophobicContact CE1-CE 3.77Å; F439-M525 HydrophobicContact CE1-CG 3.79Å; F439-M525 HydrophobicContact CG-CE 4.08Å; F439-M525 HydrophobicContact CZ-CB 3.86Å; F439-M525 HydrophobicContact CZ-CE 4.24Å; F439-M525 HydrophobicContact CZ-CG 3.83Å |
| 440 | F | 41.2 | Very low | 47.8 | Very low | 69 Ų | 69 | 85 Ų | 85 | 30% | 0.303 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -119.9 | 152.9 | 178.4 | -66.7 | -90.3 | 0 | 0 | 0 | 108 | D437 L596 L604 | D437-F440 VanDerWaalsContact O-O 3.08Å; F440-L596 HydrophobicContact CE2-CD2 4.48Å; F440-L596 HydrophobicContact CZ-CD2 3.95Å; F440-L604 HydrophobicContact CE1-CD2 4.37Å |
| 441 | I | 39.2 | Very low | 47.4 | Very low | 131 Ų | 131 | 85 Ų | 85 | 67% | 0.672 | 46% | 0.464 | S | S | * | . | trans | 105.3 | 76 | 171.1 | -48.7 | 158.4 | 0 | 0 | 0 | 114.2 | D443 | I441-D443 HydrophobicContact CG2-CB 3.69Å; I441-D443 PolarHBondContact O-N 3Å | ||
| 442 | D | 37.2 | Very low | 47.4 | Very low | 169 Ų | 169 | 83.4 Ų | 83.4 | 90% | 0.904 | 46% | 0.464 | S | S | * | . | trans | -64.3 | 82 | 135.5 | -84.1 | -34.4 | 0 | 0 | 0 | 107.9 | ||||
| 443 | D | 33.9 | Very low | 47.6 | Very low | 123 Ų | 123 | 87.9 Ų | 87.9 | 66% | 0.658 | 49% | 0.488 | S | S | * | . | trans | -152.3 | 117.5 | 160.1 | -91.8 | -39.7 | 0 | 0 | 0 | 112.5 | I441 S445 | I441-D443 HydrophobicContact CG2-CB 3.69Å; I441-D443 PolarHBondContact O-N 3Å; D443-S445 PolarHBondContact O-N 3.35Å | ||
| 444 | S | 40.1 | Very low | 47.7 | Very low | 132 Ų | 132 | 90 Ų | 90 | 92% | 0.923 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 16.5 | -176.8 | 57.1 | 0 | 0 | 0 | 0 | 119.8 | ||
| 445 | S | 40.9 | Very low | 47.9 | Very low | 95 Ų | 95 | 89.3 Ų | 89.3 | 66% | 0.664 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | -9.3 | -164.7 | 64.7 | 0 | 0 | 0 | 0 | 118.7 | D443 | D443-S445 PolarHBondContact O-N 3.35Š|
| 446 | N | 36 | Very low | 48.5 | Very low | 145 Ų | 145 | 87.3 Ų | 87.3 | 78% | 0.775 | 50% | 0.497 | S | S | * | . | trans | -148.4 | 123.4 | 171.3 | -89.3 | -32 | 0 | 0 | 0 | 111.6 | Y448 | N446-Y448 PolarHBondContact O-N 3.1Å; N446-Y448 VanDerWaalsContact O-N 3.08Å | ||
| 447 | P | 34.2 | Very low | 49.4 | Very low | 125 Ų | 125 | 89.7 Ų | 89.7 | 81% | 0.812 | 51% | 0.509 | S | S | * | . | trans | -83.3 | 89.5 | -178.6 | 34 | -29.9 | 0 | 0 | 0 | 109.5 | V449 | P447-V449 PolarHBondContact O-N 3.22Š| ||
| 448 | Y | 39.3 | Very low | 50.7 | Low | 153 Ų | 153 | 88.8 Ų | 88.8 | 60% | 0.6 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 116.5 | 166.9 | -143 | -96.9 | 0 | 0 | 0 | 108.2 | D371 N446 P450 | D371-Y448 VanDerWaalsContact CG-OH 3.3Å; D371-Y448 PolarHBondContact OD2-OH 3.48Å; N446-Y448 PolarHBondContact O-N 3.1Å; N446-Y448 VanDerWaalsContact O-N 3.08Å; Y448-P450 WeakPolarHBondContact O-CD 3.49Å |
| 449 | V | 44.7 | Very low | 52 | Low | 97 Ų | 97 | 85.4 Ų | 85.4 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -81.7 | 117.9 | -177.4 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | P447 | P447-V449 PolarHBondContact O-N 3.22Š|
| 450 | P | 51.9 | Low | 53.3 | Low | 87 Ų | 87 | 84.3 Ų | 84.3 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 144 | 177.5 | 23.5 | -32 | 0 | 0 | 0 | 110.9 | Y448 S452 | Y448-P450 WeakPolarHBondContact O-CD 3.49Å; P450-S452 PolarHBondContact O-N 2.71Å; P450-S452 VanDerWaalsContact O-N 3.14Å |
| 451 | I | 58.6 | Low | 54.9 | Low | 15 Ų | 15 | 83.7 Ų | 83.7 | 8% | 0.077 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 120.6 | 176.3 | -60.8 | 169.6 | 0 | 0 | 0 | 107.9 | L375 V432 L453 R456 | L375-I451 HydrophobicContact CD2-CD1 4.49Å; L375-I451 HydrophobicContact CD2-CG2 3.51Å; V432-I451 HydrophobicContact CG1-CD1 4.06Å; I451-L453 PolarHBondContact O-N 3.33Å; I451-R456 HydrophobicContact CG2-CG 4.04Å |
| 452 | S | 62.1 | Low | 56.5 | Low | 67 Ų | 67 | 77.9 Ų | 77.9 | 47% | 0.469 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 134.6 | -177.8 | 70.6 | 0 | 0 | 0 | 0 | 111.1 | P450 G454 V455 R456 | P450-S452 PolarHBondContact O-N 2.71Å; P450-S452 VanDerWaalsContact O-N 3.14Å; S452-G454 PolarHBondContact O-N 3.37Å; S452-V455 PolarHBondContact O-N 3.36Å; S452-V455 WeakPolarHBondContact OG-CG2 3.45Å; S452-R456 PolarHBondContact O-N 3.36Å |
| 453 | L | 64.7 | Low | 58.3 | Low | 97 Ų | 97 | 70 Ų | 70 | 51% | 0.508 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -50.7 | -29.7 | 176.1 | -176.8 | 66.7 | 0 | 0 | 0 | 112.4 | I451 V455 R456 N457 | I451-L453 PolarHBondContact O-N 3.33Å; L453-V455 PolarHBondContact O-N 3.13Å; L453-R456 PolarHBondContact O-N 2.93Å; L453-N457 WeakPolarHBondContact O-CB 3.38Å; L453-N457 VanDerWaalsContact O-CG 3.24Å; L453-N457 PolarHBondContact O-N 3.23Å; L453-N457 PolarHBondContact O-ND2 2.86Å |
| 454 | G | 65.7 | Low | 60.2 | Low | 50 Ų | 50 | 67.2 Ų | 67.2 | 52% | 0.515 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S452 K458 | S452-G454 PolarHBondContact O-N 3.37Å; G454-K458 VanDerWaalsContact O-CB 3.24Å; G454-K458 WeakPolarHBondContact O-CB 3.4Å; G454-K458 PolarHBondContact O-N 2.86Å |
| 455 | V | 66.5 | Low | 61.7 | Low | 26 Ų | 26 | 66.3 Ų | 66.3 | 16% | 0.158 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -76.7 | -38.1 | -179.9 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | L375 S452 L453 K458 L459 | L375-V455 HydrophobicContact CB-CG1 4.49Å; L375-V455 HydrophobicContact CD2-CB 4.22Å; L375-V455 HydrophobicContact CD2-CG1 3.44Å; L375-V455 VanDerWaalsContact CD2-CG1 3.44Å; L375-V455 HydrophobicContact CG-CG1 3.79Å; S452-V455 PolarHBondContact O-N 3.36Å; S452-V455 WeakPolarHBondContact OG-CG2 3.45Å; L453-V455 PolarHBondContact O-N 3.13Å; V455-K458 WeakPolarHBondContact O-CB 3.15Å; V455-K458 PolarHBondContact O-N 3.36Å; V455-L459 PolarHBondContact O-N 3.13Å |
| 456 | R | 70 | Confident | 63 | Low | 5 Ų | 5 | 62.1 Ų | 62.1 | 2% | 0.019 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 173.1 | -70.7 | -175.9 | -179.6 | -108.6 | 6.6 | 112.1 | L433 I451 S452 L453 K458 L459 E460 D522 | L433-R456 PolarHBondContact O-NH1 2.73Å; L433-R456 PolarHBondContact O-NH2 3.38Å; I451-R456 HydrophobicContact CG2-CG 4.04Å; S452-R456 PolarHBondContact O-N 3.36Å; L453-R456 PolarHBondContact O-N 2.93Å; R456-K458 VanDerWaalsContact C-N 3.32Å; R456-K458 PolarHBondContact O-N 3.4Å; R456-L459 WeakPolarHBondContact O-CB 3.42Å; R456-L459 PolarHBondContact O-N 3.28Å; R456-E460 PolarHBondContact O-N 3.5Å; R456-E460 VanDerWaalsContact O-N 3.08Å; R456-D522 IonicContact CZ-OD2 3.51Å; R456-D522 IonicContact NE-OD2 3.69Å; R456-D522 PolarHBondContact NE-OD2 2.98Å; R456-D522 IonicContact NH1-OD2 3.19Å; R456-D522 IonicContact NH2-OD1 3.36Å; R456-D522 IonicContact NH2-OD2 2.94Å |
| 457 | N | 69.8 | Low | 64.6 | Low | 62 Ų | 62 | 55.2 Ų | 55.2 | 33% | 0.332 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.7 | -34.4 | 176.1 | -70.3 | -13.5 | 0 | 0 | 0 | 112.1 | L453 S461 | L453-N457 WeakPolarHBondContact O-CB 3.38Å; L453-N457 VanDerWaalsContact O-CG 3.24Å; L453-N457 PolarHBondContact O-N 3.23Å; L453-N457 PolarHBondContact O-ND2 2.86Å; N457-S461 WeakPolarHBondContact O-CB 3.05Å; N457-S461 PolarHBondContact O-N 3.22Å |
| 458 | K | 72.4 | Confident | 66.3 | Low | 92 Ų | 92 | 53.6 Ų | 53.6 | 40% | 0.4 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 174.6 | -172.9 | -179.5 | -177.6 | -166.6 | 0 | 111.2 | E383 G454 V455 R456 S461 L462 | E383-K458 WeakPolarHBondContact OE1-CE 3.49Å; E383-K458 IonicContact OE1-NZ 2.81Å; E383-K458 PolarHBondContact OE1-NZ 2.9Å; E383-K458 IonicContact OE2-NZ 2.75Å; G454-K458 VanDerWaalsContact O-CB 3.24Å; G454-K458 WeakPolarHBondContact O-CB 3.4Å; G454-K458 PolarHBondContact O-N 2.86Å; V455-K458 WeakPolarHBondContact O-CB 3.15Å; V455-K458 PolarHBondContact O-N 3.36Å; R456-K458 VanDerWaalsContact C-N 3.32Å; R456-K458 PolarHBondContact O-N 3.4Å; K458-S461 PolarHBondContact O-N 3.3Å; K458-L462 HydrophobicContact CG-CD1 4.17Å; K458-L462 WeakPolarHBondContact O-CB 3.33Å; K458-L462 VanDerWaalsContact O-CG 3.28Å; K458-L462 WeakPolarHBondContact O-CG 3.25Å; K458-L462 PolarHBondContact O-N 2.8Å |
| 459 | L | 75.5 | Confident | 67.6 | Low | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.9 | -50.3 | 175.6 | -178.6 | 68.5 | 0 | 0 | 0 | 111.4 | L375 F378 L382 L433 V455 R456 S461 L462 C463 V515 | L375-L459 HydrophobicContact CD1-CD2 4.23Å; F378-L459 HydrophobicContact CD1-CD1 3.65Å; F378-L459 HydrophobicContact CE1-CD1 3.74Å; L382-L459 HydrophobicContact CD1-CD1 3.65Å; L433-L459 HydrophobicContact CD1-CD2 4.38Å; V455-L459 PolarHBondContact O-N 3.13Å; R456-L459 WeakPolarHBondContact O-CB 3.42Å; R456-L459 PolarHBondContact O-N 3.28Å; L459-S461 VanDerWaalsContact C-N 3.35Å; L459-S461 PolarHBondContact O-N 2.8Å; L459-L462 PolarHBondContact O-N 3.49Å; L459-C463 PolarHBondContact O-N 3.41Å; L459-C463 PolarHBondContact O-SG 2.8Å; L459-C463 VanDerWaalsContact O-SG 3.38Å; L459-V515 HydrophobicContact CD2-CG1 3.83Å; L459-V515 HydrophobicContact CD2-CG2 4.08Å; L459-V515 HydrophobicContact CG-CG1 4.12Å |
| 460 | E | 75.2 | Confident | 68.5 | Low | 31 Ų | 31 | 45.2 Ų | 45.2 | 15% | 0.145 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 178.2 | -173.8 | 174 | 175.5 | 0 | 0 | 112.1 | R456 L462 C463 L464 F512 H516 N519 | R456-E460 PolarHBondContact O-N 3.5Å; R456-E460 VanDerWaalsContact O-N 3.08Å; E460-L462 PolarHBondContact O-N 2.94Å; E460-C463 PolarHBondContact O-N 2.97Å; E460-L464 WeakPolarHBondContact O-CB 3.38Å; E460-L464 PolarHBondContact O-N 2.99Å; E460-F512 HydrophobicContact CG-CE2 4.25Å; E460-H516 IonicContact OE1-CE1 3.57Å; E460-H516 IonicContact OE1-CG 2.7Å; E460-H516 IonicContact OE1-ND1 2.93Å; E460-H516 PolarHBondContact OE1-ND1 2.92Å; E460-N519 PolarHBondContact OE2-ND2 2.88Å |
| 461 | S | 75.7 | Confident | 69 | Low | 55 Ų | 55 | 44 Ų | 44 | 39% | 0.385 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 175.3 | -175.8 | 0 | 0 | 0 | 0 | 112.9 | N457 K458 L459 K465 | N457-S461 WeakPolarHBondContact O-CB 3.05Å; N457-S461 PolarHBondContact O-N 3.22Å; K458-S461 PolarHBondContact O-N 3.3Å; L459-S461 VanDerWaalsContact C-N 3.35Å; L459-S461 PolarHBondContact O-N 2.8Å; S461-K465 WeakPolarHBondContact O-CB 3.32Å; S461-K465 VanDerWaalsContact O-CG 3.29Å; S461-K465 WeakPolarHBondContact O-CG 3.17Å; S461-K465 PolarHBondContact O-N 2.82Å |
| 462 | L | 72.6 | Confident | 69.1 | Low | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.2 | -42.7 | 177.2 | -72.2 | 170.1 | 0 | 0 | 0 | 111.7 | C379 E383 K458 L459 E460 L464 K465 Q466 | C379-L462 HydrophobicContact CB-CD1 4.29Å; E383-L462 HydrophobicContact CG-CD1 3.75Å; E383-L462 HydrophobicContact CG-CD2 3.71Å; E383-L462 HydrophobicContact CG-CG 4.41Å; K458-L462 HydrophobicContact CG-CD1 4.17Å; K458-L462 WeakPolarHBondContact O-CB 3.33Å; K458-L462 VanDerWaalsContact O-CG 3.28Å; K458-L462 WeakPolarHBondContact O-CG 3.25Å; K458-L462 PolarHBondContact O-N 2.8Å; L459-L462 PolarHBondContact O-N 3.49Å; E460-L462 PolarHBondContact O-N 2.94Å; L462-L464 VanDerWaalsContact C-N 3.34Å; L462-L464 PolarHBondContact O-N 3.09Å; L462-K465 PolarHBondContact O-N 2.79Å; L462-Q466 PolarHBondContact O-N 2.93Å |
| 463 | C | 74.2 | Confident | 68.9 | Low | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.02 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 174 | -69.2 | 0 | 0 | 0 | 0 | 111.7 | L459 E460 Q466 L467 F512 | L459-C463 PolarHBondContact O-N 3.41Å; L459-C463 PolarHBondContact O-SG 2.8Å; L459-C463 VanDerWaalsContact O-SG 3.38Å; E460-C463 PolarHBondContact O-N 2.97Å; C463-Q466 PolarHBondContact O-N 3.33Å; C463-L467 PolarHBondContact O-N 3.29Å; C463-F512 HydrophobicContact CB-CB 4.29Å; C463-F512 HydrophobicContact CB-CD2 3.91Å |
| 464 | L | 73.2 | Confident | 68.5 | Low | 65 Ų | 65 | 45.3 Ų | 45.3 | 34% | 0.34 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65 | -41.4 | 176.6 | -175.2 | 137 | 0 | 0 | 0 | 112.2 | E460 L462 Q466 L467 H468 F512 | E460-L464 WeakPolarHBondContact O-CB 3.38Å; E460-L464 PolarHBondContact O-N 2.99Å; L462-L464 VanDerWaalsContact C-N 3.34Å; L462-L464 PolarHBondContact O-N 3.09Å; L464-Q466 VanDerWaalsContact C-N 3.34Å; L464-Q466 PolarHBondContact O-N 3.3Å; L464-L467 PolarHBondContact O-N 3.05Å; L464-H468 VanDerWaalsContact CD2-CE1 3.49Å; L464-H468 WeakPolarHBondContact CD2-CE1 3.35Å; L464-H468 PolarHBondContact O-N 3.37Å; L464-H468 PolarHBondContact O-ND1 3.19Å; L464-F512 HydrophobicContact CB-CD2 4.38Å; L464-F512 HydrophobicContact CB-CE2 3.9Å; L464-F512 HydrophobicContact CD1-CE2 4.09Å; L464-F512 HydrophobicContact CD1-CZ 4.09Å; L464-F512 HydrophobicContact CG-CE2 4.49Å |
| 465 | K | 72.3 | Confident | 67.6 | Low | 113 Ų | 113 | 45.1 Ų | 45.1 | 49% | 0.491 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61 | -42 | 173 | -77.2 | 173 | -178.3 | 177.2 | 0 | 111.9 | S461 L462 L467 H468 N469 | S461-K465 WeakPolarHBondContact O-CB 3.32Å; S461-K465 VanDerWaalsContact O-CG 3.29Å; S461-K465 WeakPolarHBondContact O-CG 3.17Å; S461-K465 PolarHBondContact O-N 2.82Å; L462-K465 PolarHBondContact O-N 2.79Å; K465-L467 VanDerWaalsContact C-N 3.33Å; K465-L467 PolarHBondContact O-N 3.44Å; K465-H468 PolarHBondContact O-N 3.27Å; K465-N469 PolarHBondContact O-N 2.7Å |
| 466 | Q | 68.6 | Low | 66.6 | Low | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.8 | -36.9 | 177.9 | -163.8 | 68.7 | -5.5 | 0 | 0 | 111.9 | T386 L462 C463 L464 N469 C470 V508 | T386-Q466 HydrophobicContact CG2-CB 4.46Å; L462-Q466 PolarHBondContact O-N 2.93Å; C463-Q466 PolarHBondContact O-N 3.33Å; L464-Q466 VanDerWaalsContact C-N 3.34Å; L464-Q466 PolarHBondContact O-N 3.3Å; Q466-N469 PolarHBondContact O-N 2.94Å; Q466-C470 PolarHBondContact O-N 3.44Å; Q466-C470 PolarHBondContact O-SG 3.38Å; Q466-V508 HydrophobicContact CB-CG1 4.18Å; Q466-V508 HydrophobicContact CG-CG1 4.06Å; Q466-V508 HydrophobicContact CG-CG2 4.33Å |
| 467 | L | 70.2 | Confident | 65.3 | Low | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 174.2 | -170.4 | 68.9 | 0 | 0 | 0 | 111.8 | C463 L464 K465 N469 C470 I471 F505 V508 H509 F512 F575 | C463-L467 PolarHBondContact O-N 3.29Å; L464-L467 PolarHBondContact O-N 3.05Å; K465-L467 VanDerWaalsContact C-N 3.33Å; K465-L467 PolarHBondContact O-N 3.44Å; L467-N469 VanDerWaalsContact C-N 3.32Å; L467-N469 PolarHBondContact O-N 2.99Å; L467-C470 WeakPolarHBondContact O-CB 3.46Å; L467-C470 PolarHBondContact O-N 3.28Å; L467-I471 HydrophobicContact CG-CD1 4.12Å; L467-I471 WeakPolarHBondContact O-CD1 3.5Å; L467-I471 VanDerWaalsContact O-CG1 3.28Å; L467-I471 WeakPolarHBondContact O-CG1 3.49Å; L467-I471 PolarHBondContact O-N 3.38Å; L467-F505 HydrophobicContact CD1-CD2 4.31Å; L467-F505 HydrophobicContact CD1-CE2 3.8Å; L467-F505 HydrophobicContact CD1-CZ 4.4Å; L467-V508 HydrophobicContact CB-CG1 4.4Å; L467-V508 HydrophobicContact CD1-CG1 4.37Å; L467-H509 HydrophobicContact CD1-CB 4.15Å; L467-F512 HydrophobicContact CD2-CD1 4.33Å; L467-F575 HydrophobicContact CD2-CB 3.59Å; L467-F575 HydrophobicContact CD2-CD1 3.44Å; L467-F575 VanDerWaalsContact CD2-CD1 3.44Å; L467-F575 HydrophobicContact CD2-CD2 4.3Å; L467-F575 HydrophobicContact CD2-CE1 4.24Å; L467-F575 HydrophobicContact CD2-CG 3.51Å; L467-F575 HydrophobicContact CG-CD1 4.23Å |
| 468 | H | 68.6 | Low | 63.7 | Low | 91 Ų | 91 | 57.2 Ų | 57.2 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 174.5 | -77 | 76 | 0 | 0 | 0 | 112.1 | L464 K465 I471 S472 | L464-H468 VanDerWaalsContact CD2-CE1 3.49Å; L464-H468 WeakPolarHBondContact CD2-CE1 3.35Å; L464-H468 PolarHBondContact O-N 3.37Å; L464-H468 PolarHBondContact O-ND1 3.19Å; K465-H468 PolarHBondContact O-N 3.27Å; H468-I471 PolarHBondContact O-N 3.35Å; H468-S472 PolarHBondContact O-N 2.9Å |
| 469 | N | 66.9 | Low | 62 | Low | 67 Ų | 67 | 59.7 Ų | 59.7 | 36% | 0.358 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 174.3 | -70.3 | -15 | 0 | 0 | 0 | 111.4 | K465 Q466 L467 I471 S472 L473 | K465-N469 PolarHBondContact O-N 2.7Å; Q466-N469 PolarHBondContact O-N 2.94Å; L467-N469 VanDerWaalsContact C-N 3.32Å; L467-N469 PolarHBondContact O-N 2.99Å; N469-I471 VanDerWaalsContact C-N 3.31Å; N469-I471 PolarHBondContact O-N 2.83Å; N469-S472 PolarHBondContact O-N 3.28Å; N469-S472 PolarHBondContact O-OG 3.16Å; N469-L473 PolarHBondContact O-N 2.86Å |
| 470 | C | 63.3 | Low | 60.2 | Low | 7 Ų | 7 | 65.5 Ų | 65.5 | 5% | 0.047 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.4 | -37.1 | 175.8 | -68.2 | 0 | 0 | 0 | 0 | 112.9 | I394 Q466 L467 L473 L474 F505 | I394-C470 VanDerWaalsContact CD1-SG 3.57Å; Q466-C470 PolarHBondContact O-N 3.44Å; Q466-C470 PolarHBondContact O-SG 3.38Å; L467-C470 WeakPolarHBondContact O-CB 3.46Å; L467-C470 PolarHBondContact O-N 3.28Å; C470-L473 PolarHBondContact O-N 2.89Å; C470-L474 WeakPolarHBondContact O-CD1 3.46Å; C470-L474 WeakPolarHBondContact O-CG 3.39Å; C470-L474 PolarHBondContact O-N 2.96Å; C470-L474 VanDerWaalsContact O-N 3.14Å; C470-F505 HydrophobicContact CB-CD2 3.96Å |
| 471 | I | 63.5 | Low | 58.2 | Low | 61 Ų | 61 | 70.4 Ų | 70.4 | 31% | 0.313 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.6 | -42.3 | 177.9 | -66 | 157.6 | 0 | 0 | 0 | 111.2 | L467 H468 N469 L473 L474 G475 F505 F575 | L467-I471 HydrophobicContact CG-CD1 4.12Å; L467-I471 WeakPolarHBondContact O-CD1 3.5Å; L467-I471 VanDerWaalsContact O-CG1 3.28Å; L467-I471 WeakPolarHBondContact O-CG1 3.49Å; L467-I471 PolarHBondContact O-N 3.38Å; H468-I471 PolarHBondContact O-N 3.35Å; N469-I471 VanDerWaalsContact C-N 3.31Å; N469-I471 PolarHBondContact O-N 2.83Å; I471-L473 VanDerWaalsContact C-N 3.28Å; I471-L473 PolarHBondContact O-N 3.26Å; I471-L474 PolarHBondContact O-N 3.43Å; I471-G475 PolarHBondContact O-N 3.17Å; I471-F505 HydrophobicContact CG1-CE2 3.99Å; I471-F575 HydrophobicContact CD1-CD1 4.04Å; I471-F575 HydrophobicContact CD1-CE1 3.08Å; I471-F575 HydrophobicContact CD1-CE2 4.46Å; I471-F575 HydrophobicContact CD1-CZ 3.34Å; I471-F575 HydrophobicContact CG1-CE1 4.34Å |
| 472 | S | 59.2 | Low | 56.1 | Low | 62 Ų | 62 | 78.7 Ų | 78.7 | 43% | 0.434 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60 | -39.2 | 172.9 | 67.8 | 0 | 0 | 0 | 0 | 112.1 | H468 N469 L474 G475 D476 | H468-S472 PolarHBondContact O-N 2.9Å; N469-S472 PolarHBondContact O-N 3.28Å; N469-S472 PolarHBondContact O-OG 3.16Å; S472-L474 VanDerWaalsContact C-N 3.31Å; S472-L474 PolarHBondContact O-N 2.9Å; S472-G475 PolarHBondContact O-N 3.36Å; S472-D476 PolarHBondContact O-N 2.93Å |
| 473 | L | 58 | Low | 54 | Low | 83 Ų | 83 | 85.3 Ų | 85.3 | 44% | 0.435 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.7 | -27.3 | 177.7 | -118.4 | 90.2 | 0 | 0 | 0 | 113.9 | N469 C470 I471 | N469-L473 PolarHBondContact O-N 2.86Å; C470-L473 PolarHBondContact O-N 2.89Å; I471-L473 VanDerWaalsContact C-N 3.28Å; I471-L473 PolarHBondContact O-N 3.26Å |
| 474 | L | 56.5 | Low | 52.3 | Low | 62 Ų | 62 | 92.5 Ų | 92.5 | 33% | 0.325 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -80.7 | -32.5 | 175.8 | -74.4 | 159.9 | 0 | 0 | 0 | 111.5 | C470 I471 S472 T477 F505 | C470-L474 WeakPolarHBondContact O-CD1 3.46Å; C470-L474 WeakPolarHBondContact O-CG 3.39Å; C470-L474 PolarHBondContact O-N 2.96Å; C470-L474 VanDerWaalsContact O-N 3.14Å; I471-L474 PolarHBondContact O-N 3.43Å; S472-L474 VanDerWaalsContact C-N 3.31Å; S472-L474 PolarHBondContact O-N 2.9Å; L474-T477 PolarHBondContact O-OG1 3.35Å; L474-F505 HydrophobicContact CD1-CB 4.19Å; L474-F505 HydrophobicContact CD1-CD2 3.72Å; L474-F505 HydrophobicContact CD1-CE2 4.3Å; L474-F505 HydrophobicContact CD1-CG 3.94Å |
| 475 | G | 47.4 | Very low | 50.1 | Low | 46 Ų | 46 | 95.5 Ų | 95.5 | 47% | 0.474 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71 | -31.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | I471 S472 T477 | I471-G475 PolarHBondContact O-N 3.17Å; S472-G475 PolarHBondContact O-N 3.36Å; G475-T477 PolarHBondContact O-N 3.35Å; G475-T477 VanDerWaalsContact O-N 3.08Å |
| 476 | D | 44.9 | Very low | 48 | Very low | 118 Ų | 118 | 94.5 Ų | 94.5 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -70.7 | -4.4 | -176.1 | -82.1 | -18.6 | 0 | 0 | 0 | 115 | S472 N478 | S472-D476 PolarHBondContact O-N 2.93Å; D476-N478 VanDerWaalsContact C-N 3.28Å; D476-N478 PolarHBondContact O-N 3.43Å |
| 477 | T | 42.2 | Very low | 46.2 | Very low | 94 Ų | 94 | 100.1 Ų | 100.1 | 58% | 0.577 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -76.3 | -10.9 | -177.6 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | L474 G475 | L474-T477 PolarHBondContact O-OG1 3.35Å; G475-T477 PolarHBondContact O-N 3.35Å; G475-T477 VanDerWaalsContact O-N 3.08Å |
| 478 | N | 37.8 | Very low | 44.3 | Very low | 136 Ų | 136 | 110.4 Ų | 110.4 | 73% | 0.727 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -101.3 | -9.4 | -175.5 | -75.1 | -24.6 | 0 | 0 | 0 | 115.7 | D476 | D476-N478 VanDerWaalsContact C-N 3.28Å; D476-N478 PolarHBondContact O-N 3.43Å |
| 479 | D | 36.1 | Very low | 42.5 | Very low | 144 Ų | 144 | 114.9 Ų | 114.9 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -110.7 | 3.6 | -169.7 | -87.2 | -31 | 0 | 0 | 0 | 116.7 | ||
| 480 | T | 37.2 | Very low | 40.8 | Very low | 122 Ų | 122 | 115.4 Ų | 115.4 | 75% | 0.748 | 64% | 0.635 | S | S | * | * | trans | -103.7 | 32.6 | -175.3 | 42.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 481 | T | 34.6 | Very low | 39.4 | Very low | 134 Ų | 134 | 121.9 Ų | 121.9 | 82% | 0.822 | 67% | 0.669 | S | S | * | * | trans | -117 | 22.1 | 176.9 | 58.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 482 | R | 30.5 | Very low | 38 | Very low | 229 Ų | 229 | 126.1 Ų | 126.1 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -103.1 | 113.4 | 165.8 | -77.7 | -178 | -179.6 | 164.8 | 4.4 | 110.6 | ||
| 483 | N | 29.7 | Very low | 36.8 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 79.9 | 89.5 | 169.2 | -50.7 | -24.9 | 0 | 0 | 0 | 115.5 | ||
| 484 | I | 36.6 | Very low | 35.6 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | trans | 176.1 | 123.3 | 133.2 | -82.5 | 144.3 | 0 | 0 | 0 | 106.9 | ||||
| 485 | P | 28.8 | Very low | 34.7 | Very low | 129 Ų | 129 | 136 Ų | 136 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | trans | -97 | 108.4 | 176.9 | 33.9 | -24.1 | 0 | 0 | 0 | 110.1 | ||||
| 486 | S | 27.5 | Very low | 34.3 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | -167.4 | 125.5 | 157.2 | 47.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 487 | T | 30.9 | Very low | 33.9 | Very low | 125 Ų | 125 | 139 Ų | 139 | 77% | 0.767 | 73% | 0.728 | S | S | * | * | trans | 70.2 | 96.7 | 142.1 | 54.5 | 0 | 0 | 0 | 0 | 120.4 | Q489 | T487-Q489 PolarHBondContact O-N 3.42Š| ||
| 488 | K | 29.5 | Very low | 34.5 | Very low | 216 Ų | 216 | 137.4 Ų | 137.4 | 94% | 0.939 | 72% | 0.721 | S | S | * | * | trans | 8.3 | 95.8 | 140.6 | -65.7 | 179.5 | 177.7 | 178.9 | 0 | 116.1 | ||||
| 489 | Q | 31.8 | Very low | 35.3 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | trans | -130.4 | 146.2 | 154.4 | -81.6 | -175.3 | -18.1 | 0 | 0 | 109.5 | T487 | T487-Q489 PolarHBondContact O-N 3.42Š| ||
| 490 | S | 31.9 | Very low | 36.2 | Very low | 79 Ų | 79 | 134 Ų | 134 | 55% | 0.552 | 70% | 0.702 | S | S | * | * | trans | -66.1 | 139.3 | -156.4 | 54.7 | 0 | 0 | 0 | 0 | 114.8 | H492 T493 | S490-H492 PolarHBondContact O-N 3.24Å; S490-T493 PolarHBondContact O-N 3.28Å; S490-T493 PolarHBondContact O-OG1 3.22Å | ||
| 491 | N | 32 | Very low | 37.4 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 77% | 0.765 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -1.6 | 178.9 | -74 | -19.8 | 0 | 0 | 0 | 115.5 | ||
| 492 | H | 35.9 | Very low | 38.6 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 69% | 0.694 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -30.6 | -178.6 | -93.5 | -71.9 | 0 | 0 | 0 | 113.7 | S490 | S490-H492 PolarHBondContact O-N 3.24Š|
| 493 | T | 32.9 | Very low | 40.2 | Very low | 86 Ų | 86 | 121.9 Ų | 121.9 | 53% | 0.528 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -78.7 | -29.4 | -178.2 | 40.3 | 0 | 0 | 0 | 0 | 113.2 | S490 K495 L496 L497 | S490-T493 PolarHBondContact O-N 3.28Å; S490-T493 PolarHBondContact O-OG1 3.22Å; T493-K495 VanDerWaalsContact C-N 3.31Å; T493-K495 PolarHBondContact O-N 3.45Å; T493-L496 PolarHBondContact O-N 3Å; T493-L497 PolarHBondContact O-N 3.43Å |
| 494 | K | 33.9 | Very low | 41.9 | Very low | 174 Ų | 174 | 116.4 Ų | 116.4 | 76% | 0.757 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.2 | -24.7 | 175.2 | -75.1 | -173.1 | 175.9 | -173.6 | 0 | 114 | ||
| 495 | K | 38 | Very low | 43.3 | Very low | 155 Ų | 155 | 110.9 Ų | 110.9 | 67% | 0.674 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -84.3 | -24.6 | 177.4 | -110.4 | -177 | 177.3 | -175.3 | 0 | 113.7 | T493 S498 | T493-K495 VanDerWaalsContact C-N 3.31Å; T493-K495 PolarHBondContact O-N 3.45Å; K495-S498 PolarHBondContact O-OG 3.12Å |
| 496 | L | 38.5 | Very low | 45.2 | Very low | 115 Ų | 115 | 108.2 Ų | 108.2 | 60% | 0.602 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76.7 | -44.5 | 173.6 | -101.4 | 89.9 | 0 | 0 | 0 | 111.2 | T493 S498 N499 D500 | T493-L496 PolarHBondContact O-N 3Å; L496-S498 PolarHBondContact O-N 3.18Å; L496-N499 PolarHBondContact O-N 3.05Å; L496-N499 VanDerWaalsContact O-N 3.08Å; L496-D500 PolarHBondContact O-N 2.9Å |
| 497 | L | 36.8 | Very low | 47.1 | Very low | 111 Ų | 111 | 104.9 Ų | 104.9 | 58% | 0.581 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.3 | -25.8 | 179.6 | -104.2 | 91.3 | 0 | 0 | 0 | 113.9 | T493 K501 | T493-L497 PolarHBondContact O-N 3.43Å; L497-K501 WeakPolarHBondContact O-CG 3.26Å |
| 498 | S | 53.3 | Low | 49 | Very low | 61 Ų | 61 | 99.1 Ų | 99.1 | 43% | 0.427 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75.6 | -30.1 | 176 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | K495 L496 M502 | K495-S498 PolarHBondContact O-OG 3.12Å; L496-S498 PolarHBondContact O-N 3.18Å; S498-M502 WeakPolarHBondContact O-CB 3.3Å; S498-M502 PolarHBondContact O-N 3.2Å |
| 499 | N | 54.8 | Low | 50.9 | Low | 109 Ų | 109 | 90 Ų | 90 | 58% | 0.583 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -76 | -38.5 | -178.4 | -73.6 | -1.8 | 0 | 0 | 0 | 111.8 | L496 M502 S503 | L496-N499 PolarHBondContact O-N 3.05Å; L496-N499 VanDerWaalsContact O-N 3.08Å; N499-M502 PolarHBondContact O-N 3.36Å; N499-S503 PolarHBondContact O-N 2.81Å |
| 500 | D | 55.7 | Low | 53 | Low | 99 Ų | 99 | 84.5 Ų | 84.5 | 53% | 0.529 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.9 | -35.7 | 178.3 | -65.8 | -21.8 | 0 | 0 | 0 | 112 | L496 M502 S503 I504 | L496-D500 PolarHBondContact O-N 2.9Å; D500-M502 VanDerWaalsContact C-N 3.34Å; D500-S503 PolarHBondContact O-OG 2.84Å; D500-I504 WeakPolarHBondContact O-CD1 3.39Å; D500-I504 VanDerWaalsContact O-CG1 3.23Å; D500-I504 WeakPolarHBondContact O-CG1 3.4Å; D500-I504 PolarHBondContact O-N 2.85Å |
| 501 | K | 61.3 | Low | 55 | Low | 77 Ų | 77 | 80.9 Ų | 80.9 | 34% | 0.335 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69 | -33.6 | 174.3 | -70 | -176 | 176.9 | -166.3 | 0 | 112.4 | L497 F505 | L497-K501 WeakPolarHBondContact O-CG 3.26Å; K501-F505 PolarHBondContact O-N 2.79Å; K501-F505 VanDerWaalsContact O-N 3.11Å |
| 502 | M | 60.7 | Low | 57.1 | Low | 99 Ų | 99 | 74.6 Ų | 74.6 | 49% | 0.488 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -73.5 | -36 | 177.9 | -158.5 | 68.4 | 151.9 | 0 | 0 | 112.4 | S498 N499 D500 F505 N506 | S498-M502 WeakPolarHBondContact O-CB 3.3Å; S498-M502 PolarHBondContact O-N 3.2Å; N499-M502 PolarHBondContact O-N 3.36Å; D500-M502 VanDerWaalsContact C-N 3.34Å; M502-F505 PolarHBondContact O-N 3.01Å; M502-N506 WeakPolarHBondContact O-CB 3.19Å; M502-N506 PolarHBondContact O-N 3.3Å; M502-N506 PolarHBondContact O-ND2 2.63Å |
| 503 | S | 64.4 | Low | 58.8 | Low | 54 Ų | 54 | 67.5 Ų | 67.5 | 38% | 0.378 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68 | -37.6 | 175.8 | 65 | 0 | 0 | 0 | 0 | 112.2 | N499 D500 N506 S507 | N499-S503 PolarHBondContact O-N 2.81Å; D500-S503 PolarHBondContact O-OG 2.84Å; S503-N506 PolarHBondContact O-N 3.19Å; S503-S507 WeakPolarHBondContact O-CB 3.47Å; S503-S507 PolarHBondContact O-N 3.22Å; S503-S507 PolarHBondContact O-OG 3.06Å |
| 504 | I | 65.4 | Low | 60.9 | Low | 34 Ų | 34 | 65.3 Ų | 65.3 | 17% | 0.174 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 173 | -66.7 | 164.1 | 0 | 0 | 0 | 110.7 | I394 I396 D500 N506 S507 V508 | I394-I504 HydrophobicContact CB-CG2 3.83Å; I394-I504 HydrophobicContact CD1-CG2 3.76Å; I394-I504 HydrophobicContact CG1-CG2 4.32Å; I394-I504 HydrophobicContact CG2-CG2 4.04Å; I396-I504 HydrophobicContact CD1-CG1 4.05Å; D500-I504 WeakPolarHBondContact O-CD1 3.39Å; D500-I504 VanDerWaalsContact O-CG1 3.23Å; D500-I504 WeakPolarHBondContact O-CG1 3.4Å; D500-I504 PolarHBondContact O-N 2.85Å; I504-N506 PolarHBondContact O-N 3.32Å; I504-S507 PolarHBondContact O-N 3.41Å; I504-V508 WeakPolarHBondContact O-CG2 3.49Å; I504-V508 PolarHBondContact O-N 3.25Å |
| 505 | F | 65.8 | Low | 62.8 | Low | 38 Ų | 38 | 57 Ų | 57 | 17% | 0.167 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.2 | -48.5 | 176.1 | 174.6 | -96.8 | 0 | 0 | 0 | 111.9 | L467 C470 I471 L474 K501 M502 S507 V508 H509 | L467-F505 HydrophobicContact CD1-CD2 4.31Å; L467-F505 HydrophobicContact CD1-CE2 3.8Å; L467-F505 HydrophobicContact CD1-CZ 4.4Å; C470-F505 HydrophobicContact CB-CD2 3.96Å; I471-F505 HydrophobicContact CG1-CE2 3.99Å; L474-F505 HydrophobicContact CD1-CB 4.19Å; L474-F505 HydrophobicContact CD1-CD2 3.72Å; L474-F505 HydrophobicContact CD1-CE2 4.3Å; L474-F505 HydrophobicContact CD1-CG 3.94Å; K501-F505 PolarHBondContact O-N 2.79Å; K501-F505 VanDerWaalsContact O-N 3.11Å; M502-F505 PolarHBondContact O-N 3.01Å; F505-S507 VanDerWaalsContact C-N 3.31Å; F505-S507 PolarHBondContact O-N 3.27Å; F505-V508 PolarHBondContact O-N 3.49Å; F505-H509 VanDerWaalsContact O-CB 3.28Å; F505-H509 WeakPolarHBondContact O-CB 3.35Å; F505-H509 PolarHBondContact O-N 3.22Å |
| 506 | N | 69.1 | Low | 64.5 | Low | 73 Ų | 73 | 50.2 Ų | 50.2 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 178.8 | -70.8 | -14.5 | 0 | 0 | 0 | 112.3 | M502 S503 I504 H509 Q510 | M502-N506 WeakPolarHBondContact O-CB 3.19Å; M502-N506 PolarHBondContact O-N 3.3Å; M502-N506 PolarHBondContact O-ND2 2.63Å; S503-N506 PolarHBondContact O-N 3.19Å; I504-N506 PolarHBondContact O-N 3.32Å; N506-H509 PolarHBondContact O-N 2.98Å; N506-Q510 WeakPolarHBondContact O-CB 3.47Å; N506-Q510 WeakPolarHBondContact O-CG 3.38Å; N506-Q510 PolarHBondContact O-N 3.07Å |
| 507 | S | 67.4 | Low | 66.2 | Low | 20 Ų | 20 | 44.8 Ų | 44.8 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68 | -37.8 | 179.1 | -55 | 0 | 0 | 0 | 0 | 112.4 | S503 I504 F505 L511 | S503-S507 WeakPolarHBondContact O-CB 3.47Å; S503-S507 PolarHBondContact O-N 3.22Å; S503-S507 PolarHBondContact O-OG 3.06Å; I504-S507 PolarHBondContact O-N 3.41Å; F505-S507 VanDerWaalsContact C-N 3.31Å; F505-S507 PolarHBondContact O-N 3.27Å; S507-L511 PolarHBondContact O-N 3.1Å |
| 508 | V | 69.7 | Low | 67.9 | Low | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -73.1 | -38.9 | 176.4 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | W398 Q466 L467 I504 F505 L511 F512 | W398-V508 HydrophobicContact CH2-CG2 4.4Å; W398-V508 HydrophobicContact CZ2-CG2 4.23Å; Q466-V508 HydrophobicContact CB-CG1 4.18Å; Q466-V508 HydrophobicContact CG-CG1 4.06Å; Q466-V508 HydrophobicContact CG-CG2 4.33Å; L467-V508 HydrophobicContact CB-CG1 4.4Å; L467-V508 HydrophobicContact CD1-CG1 4.37Å; I504-V508 WeakPolarHBondContact O-CG2 3.49Å; I504-V508 PolarHBondContact O-N 3.25Å; F505-V508 PolarHBondContact O-N 3.49Å; V508-L511 PolarHBondContact O-N 3.47Å; V508-F512 WeakPolarHBondContact O-CB 3.33Å; V508-F512 PolarHBondContact O-N 2.91Å |
| 509 | H | 70.9 | Confident | 68.9 | Low | 24 Ų | 24 | 36.9 Ų | 36.9 | 11% | 0.111 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.4 | -39.3 | 176.5 | -170.9 | -122 | 0 | 0 | 0 | 112.2 | L467 F505 N506 T513 F575 D577 | L467-H509 HydrophobicContact CD1-CB 4.15Å; F505-H509 VanDerWaalsContact O-CB 3.28Å; F505-H509 WeakPolarHBondContact O-CB 3.35Å; F505-H509 PolarHBondContact O-N 3.22Å; N506-H509 PolarHBondContact O-N 2.98Å; H509-T513 WeakPolarHBondContact O-CB 3.19Å; H509-T513 PolarHBondContact O-N 3.41Å; H509-T513 PolarHBondContact O-OG1 3.49Å; H509-F575 PolarHBondContact NE2-O 3.09Å; H509-D577 VanDerWaalsContact CE1-CB 3.41Å; H509-D577 WeakPolarHBondContact CE1-CB 3.29Å; H509-D577 PolarHBondContact CE1-N 3.28Å; H509-D577 VanDerWaalsContact CE1-N 3.28Å; H509-D577 IonicContact ND1-OD2 3.93Å |
| 510 | Q | 73.9 | Confident | 69.6 | Low | 69 Ų | 69 | 31.8 Ų | 31.8 | 32% | 0.322 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.7 | -46.5 | 173.5 | -78.5 | 175 | 0.3 | 0 | 0 | 112.4 | N506 T513 K514 I580 | N506-Q510 WeakPolarHBondContact O-CB 3.47Å; N506-Q510 WeakPolarHBondContact O-CG 3.38Å; N506-Q510 PolarHBondContact O-N 3.07Å; Q510-T513 PolarHBondContact O-N 3.46Å; Q510-K514 WeakPolarHBondContact O-CG 3.27Å; Q510-K514 PolarHBondContact O-N 2.9Å; Q510-I580 HydrophobicContact CG-CD1 3.5Å; Q510-I580 VanDerWaalsContact CG-CD1 3.5Å |
| 511 | L | 73.8 | Confident | 70.4 | Confident | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 177.5 | -177.9 | 67.5 | 0 | 0 | 0 | 111.3 | W398 L429 S507 V508 K514 V515 | W398-L511 HydrophobicContact CD2-CD2 4.17Å; W398-L511 HydrophobicContact CZ2-CD2 4.2Å; L429-L511 HydrophobicContact CD2-CD1 4.22Å; S507-L511 PolarHBondContact O-N 3.1Å; V508-L511 PolarHBondContact O-N 3.47Å; L511-K514 PolarHBondContact O-N 3.39Å; L511-V515 HydrophobicContact CD1-CG2 4.32Å; L511-V515 WeakPolarHBondContact O-CB 3.32Å; L511-V515 VanDerWaalsContact O-CG2 3.27Å; L511-V515 WeakPolarHBondContact O-CG2 3.41Å; L511-V515 PolarHBondContact O-N 3.34Å |
| 512 | F | 76.5 | Confident | 70.9 | Confident | 12 Ų | 12 | 25.6 Ų | 25.6 | 5% | 0.053 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -48.3 | 176.6 | 175.4 | -103.2 | 0 | 0 | 0 | 111.9 | E460 C463 L464 L467 V508 K514 V515 H516 F575 | E460-F512 HydrophobicContact CG-CE2 4.25Å; C463-F512 HydrophobicContact CB-CB 4.29Å; C463-F512 HydrophobicContact CB-CD2 3.91Å; L464-F512 HydrophobicContact CB-CD2 4.38Å; L464-F512 HydrophobicContact CB-CE2 3.9Å; L464-F512 HydrophobicContact CD1-CE2 4.09Å; L464-F512 HydrophobicContact CD1-CZ 4.09Å; L464-F512 HydrophobicContact CG-CE2 4.49Å; L467-F512 HydrophobicContact CD2-CD1 4.33Å; V508-F512 WeakPolarHBondContact O-CB 3.33Å; V508-F512 PolarHBondContact O-N 2.91Å; F512-K514 VanDerWaalsContact C-N 3.34Å; F512-K514 PolarHBondContact O-N 3.43Å; F512-V515 PolarHBondContact O-N 3.43Å; F512-H516 WeakPolarHBondContact O-CB 3.19Å; F512-H516 PolarHBondContact O-N 2.97Å; F512-F575 WeakPolarHBondContact CD1-O 3.49Å; F512-F575 HydrophobicContact CE1-CB 4.06Å; F512-F575 WeakPolarHBondContact CE1-O 3.24Å |
| 513 | T | 71.2 | Confident | 71.2 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.1 | -46.6 | 179.1 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | H509 Q510 I517 I576 D577 | H509-T513 WeakPolarHBondContact O-CB 3.19Å; H509-T513 PolarHBondContact O-N 3.41Å; H509-T513 PolarHBondContact O-OG1 3.49Å; Q510-T513 PolarHBondContact O-N 3.46Å; T513-I517 HydrophobicContact CG2-CD1 3.91Å; T513-I517 WeakPolarHBondContact O-CD1 2.81Å; T513-I517 VanDerWaalsContact O-CG1 3.27Å; T513-I517 WeakPolarHBondContact O-CG1 3.39Å; T513-I517 PolarHBondContact O-N 2.69Å; T513-I517 VanDerWaalsContact O-N 3.09Å; T513-I576 HydrophobicContact CG2-CG2 3.99Å; T513-D577 HydrophobicContact CG2-CB 4.49Å; T513-D577 PolarHBondContact OG1-N 3.05Å |
| 514 | K | 77.1 | Confident | 71.4 | Confident | 40 Ų | 40 | 21.7 Ų | 21.7 | 17% | 0.174 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -70.5 | -39.6 | -179.3 | -67.9 | 175.5 | 179.5 | -178.6 | 0 | 113 | E426 Y430 Q510 L511 F512 I517 C518 F584 | E426-K514 IonicContact OE1-NZ 2.83Å; E426-K514 PolarHBondContact OE1-NZ 2.94Å; Y430-K514 HydrophobicContact CE1-CB 3.59Å; Y430-K514 HydrophobicContact CE1-CD 4.13Å; Y430-K514 HydrophobicContact CE1-CG 4.49Å; Y430-K514 HydrophobicContact CE2-CD 3.89Å; Y430-K514 VanDerWaalsContact CZ-CD 3.41Å; Y430-K514 WeakPolarHBondContact OH-CB 3.43Å; Y430-K514 WeakPolarHBondContact OH-CD 3.22Å; Q510-K514 WeakPolarHBondContact O-CG 3.27Å; Q510-K514 PolarHBondContact O-N 2.9Å; L511-K514 PolarHBondContact O-N 3.39Å; F512-K514 VanDerWaalsContact C-N 3.34Å; F512-K514 PolarHBondContact O-N 3.43Å; K514-I517 PolarHBondContact O-N 3.31Å; K514-C518 PolarHBondContact O-N 3.31Å; K514-C518 PolarHBondContact O-SG 3.49Å; K514-C518 VanDerWaalsContact O-SG 3.33Å; K514-F584 HydrophobicContact CB-CD1 4.03Å; K514-F584 HydrophobicContact CB-CE1 3.71Å; K514-F584 HydrophobicContact CB-CZ 4Å; K514-F584 HydrophobicContact CD-CD2 4.36Å; K514-F584 HydrophobicContact CD-CE2 4.27Å; K514-F584 HydrophobicContact CD-CZ 4.47Å; K514-F584 HydrophobicContact CG-CD1 3.86Å; K514-F584 HydrophobicContact CG-CD2 4.16Å; K514-F584 HydrophobicContact CG-CE1 3.97Å; K514-F584 HydrophobicContact CG-CE2 4.25Å; K514-F584 HydrophobicContact CG-CG 3.96Å; K514-F584 HydrophobicContact CG-CZ 4.16Å; K514-F584 WeakPolarHBondContact O-CE1 3.41Å |
| 515 | V | 74.2 | Confident | 71.5 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | 175.8 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | L429 L433 L459 L511 F512 I517 C518 N519 | L429-V515 HydrophobicContact CD2-CG2 4.34Å; L433-V515 HydrophobicContact CD1-CG2 4.45Å; L459-V515 HydrophobicContact CD2-CG1 3.83Å; L459-V515 HydrophobicContact CD2-CG2 4.08Å; L459-V515 HydrophobicContact CG-CG1 4.12Å; L511-V515 HydrophobicContact CD1-CG2 4.32Å; L511-V515 WeakPolarHBondContact O-CB 3.32Å; L511-V515 VanDerWaalsContact O-CG2 3.27Å; L511-V515 WeakPolarHBondContact O-CG2 3.41Å; L511-V515 PolarHBondContact O-N 3.34Å; F512-V515 PolarHBondContact O-N 3.43Å; V515-I517 VanDerWaalsContact C-N 3.33Å; V515-I517 PolarHBondContact O-N 3.15Å; V515-C518 PolarHBondContact O-N 3.21Å; V515-N519 PolarHBondContact O-N 3.34Å |
| 516 | H | 73.5 | Confident | 71.4 | Confident | 12 Ų | 12 | 22.5 Ų | 22.5 | 6% | 0.056 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 176.3 | -174 | 75.8 | 0 | 0 | 0 | 111 | E460 F512 N519 T520 | E460-H516 IonicContact OE1-CE1 3.57Å; E460-H516 IonicContact OE1-CG 2.7Å; E460-H516 IonicContact OE1-ND1 2.93Å; E460-H516 PolarHBondContact OE1-ND1 2.92Å; F512-H516 WeakPolarHBondContact O-CB 3.19Å; F512-H516 PolarHBondContact O-N 2.97Å; H516-N519 PolarHBondContact O-N 2.99Å; H516-T520 WeakPolarHBondContact O-CG2 3.48Å; H516-T520 PolarHBondContact O-N 3.39Å |
| 517 | I | 74.2 | Confident | 71 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 174.9 | -68.8 | 161.7 | 0 | 0 | 0 | 111.8 | T513 K514 V515 N519 T520 V521 G581 F584 L585 | T513-I517 HydrophobicContact CG2-CD1 3.91Å; T513-I517 WeakPolarHBondContact O-CD1 2.81Å; T513-I517 VanDerWaalsContact O-CG1 3.27Å; T513-I517 WeakPolarHBondContact O-CG1 3.39Å; T513-I517 PolarHBondContact O-N 2.69Å; T513-I517 VanDerWaalsContact O-N 3.09Å; K514-I517 PolarHBondContact O-N 3.31Å; V515-I517 VanDerWaalsContact C-N 3.33Å; V515-I517 PolarHBondContact O-N 3.15Å; I517-N519 VanDerWaalsContact C-N 3.28Å; I517-N519 PolarHBondContact O-N 3.38Å; I517-T520 WeakPolarHBondContact CA-OG1 3.24Å; I517-T520 PolarHBondContact O-N 3.18Å; I517-T520 VanDerWaalsContact O-N 3.09Å; I517-T520 PolarHBondContact O-OG1 3.5Å; I517-V521 HydrophobicContact CG2-CG2 4.3Å; I517-V521 WeakPolarHBondContact O-CG2 3.24Å; I517-V521 PolarHBondContact O-N 2.69Å; I517-G581 VanDerWaalsContact CD1-O 3.28Å; I517-G581 WeakPolarHBondContact CD1-O 3.48Å; I517-F584 HydrophobicContact CB-CD1 3.91Å; I517-F584 HydrophobicContact CB-CE1 4.22Å; I517-F584 HydrophobicContact CD1-CB 4.4Å; I517-F584 HydrophobicContact CD1-CD1 3.98Å; I517-F584 HydrophobicContact CG2-CD1 3.7Å; I517-F584 HydrophobicContact CG2-CE1 4.09Å; I517-L585 HydrophobicContact CG2-CB 4.19Å; I517-L585 HydrophobicContact CG2-CD1 4Å |
| 518 | C | 73.4 | Confident | 70.7 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.3 | -39.5 | 175.5 | -71.6 | 0 | 0 | 0 | 0 | 112.6 | L433 K514 V515 V521 D522 | L433-C518 HydrophobicContact CB-CB 4.33Å; L433-C518 HydrophobicContact CD1-CB 4.46Å; K514-C518 PolarHBondContact O-N 3.31Å; K514-C518 PolarHBondContact O-SG 3.49Å; K514-C518 VanDerWaalsContact O-SG 3.33Å; V515-C518 PolarHBondContact O-N 3.21Å; C518-V521 PolarHBondContact O-N 2.96Å; C518-D522 WeakPolarHBondContact O-CB 3.38Å; C518-D522 PolarHBondContact O-N 3Å |
| 519 | N | 74 | Confident | 70.4 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.9 | -35.8 | 175.4 | -73.5 | -10.6 | 0 | 0 | 0 | 112.2 | E460 V515 H516 I517 R523 | E460-N519 PolarHBondContact OE2-ND2 2.88Å; V515-N519 PolarHBondContact O-N 3.34Å; H516-N519 PolarHBondContact O-N 2.99Å; I517-N519 VanDerWaalsContact C-N 3.28Å; I517-N519 PolarHBondContact O-N 3.38Å; N519-R523 WeakPolarHBondContact O-CB 3.4Å; N519-R523 WeakPolarHBondContact O-CG 3.49Å; N519-R523 PolarHBondContact O-N 3.04Å |
| 520 | T | 69.5 | Low | 69.9 | Low | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.2 | -37.7 | 175.2 | 65.7 | 0 | 0 | 0 | 0 | 112.3 | H516 I517 R523 L524 L531 L535 | H516-T520 WeakPolarHBondContact O-CG2 3.48Å; H516-T520 PolarHBondContact O-N 3.39Å; I517-T520 WeakPolarHBondContact CA-OG1 3.24Å; I517-T520 PolarHBondContact O-N 3.18Å; I517-T520 VanDerWaalsContact O-N 3.09Å; I517-T520 PolarHBondContact O-OG1 3.5Å; T520-R523 PolarHBondContact O-N 3.38Å; T520-L524 WeakPolarHBondContact O-CB 3.45Å; T520-L524 PolarHBondContact O-N 3.47Å; T520-L531 HydrophobicContact CG2-CD2 3.55Å; T520-L531 HydrophobicContact CG2-CG 3.86Å; T520-L535 HydrophobicContact CG2-CB 4.26Å; T520-L535 HydrophobicContact CG2-CD2 3.93Å; T520-L535 HydrophobicContact CG2-CG 4.48Å |
| 521 | V | 73 | Confident | 69.2 | Low | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.036 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.7 | -42.8 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 111 | I517 C518 R523 L524 M525 L585 C588 I592 | I517-V521 HydrophobicContact CG2-CG2 4.3Å; I517-V521 WeakPolarHBondContact O-CG2 3.24Å; I517-V521 PolarHBondContact O-N 2.69Å; C518-V521 PolarHBondContact O-N 2.96Å; V521-R523 VanDerWaalsContact C-N 3.29Å; V521-R523 PolarHBondContact O-N 3.31Å; V521-L524 WeakPolarHBondContact O-CB 3.39Å; V521-L524 PolarHBondContact O-N 3.19Å; V521-M525 VanDerWaalsContact O-CG 3.28Å; V521-M525 WeakPolarHBondContact O-CG 3.4Å; V521-M525 PolarHBondContact O-N 3.32Å; V521-L585 HydrophobicContact CG2-CD1 4.13Å; V521-C588 HydrophobicContact CG2-CB 4.27Å; V521-I592 HydrophobicContact CG1-CD1 3.32Å |
| 522 | D | 71.7 | Confident | 68.6 | Low | 40 Ų | 40 | 36.8 Ų | 36.8 | 21% | 0.214 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.9 | -42.4 | 173 | -168.4 | 49.9 | 0 | 0 | 0 | 111.2 | R456 C518 M525 S526 | R456-D522 IonicContact CZ-OD2 3.51Å; R456-D522 IonicContact NE-OD2 3.69Å; R456-D522 PolarHBondContact NE-OD2 2.98Å; R456-D522 IonicContact NH1-OD2 3.19Å; R456-D522 IonicContact NH2-OD1 3.36Å; R456-D522 IonicContact NH2-OD2 2.94Å; C518-D522 WeakPolarHBondContact O-CB 3.38Å; C518-D522 PolarHBondContact O-N 3Å; D522-M525 PolarHBondContact O-N 3.38Å; D522-S526 PolarHBondContact O-N 2.8Å; D522-S526 PolarHBondContact O-OG 2.81Å |
| 523 | R | 67.4 | Low | 67.9 | Low | 57 Ų | 57 | 39.7 Ų | 39.7 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.5 | -37.6 | 176 | -81.4 | -166.6 | -165.7 | 178.8 | 9.8 | 114 | N519 T520 V521 M525 S526 E527 S528 | N519-R523 WeakPolarHBondContact O-CB 3.4Å; N519-R523 WeakPolarHBondContact O-CG 3.49Å; N519-R523 PolarHBondContact O-N 3.04Å; T520-R523 PolarHBondContact O-N 3.38Å; V521-R523 VanDerWaalsContact C-N 3.29Å; V521-R523 PolarHBondContact O-N 3.31Å; R523-M525 VanDerWaalsContact C-N 3.3Å; R523-S526 VanDerWaalsContact CA-OG 3.3Å; R523-S526 WeakPolarHBondContact CA-OG 3.49Å; R523-S526 PolarHBondContact O-N 3.3Å; R523-S526 PolarHBondContact O-OG 3.4Å; R523-E527 PolarHBondContact O-N 3.11Å; R523-S528 VanDerWaalsContact CB-OG 3.24Å; R523-S528 WeakPolarHBondContact CB-OG 3.31Å; R523-S528 PolarHBondContact O-N 3.11Å; R523-S528 VanDerWaalsContact O-N 3.08Å; R523-S528 PolarHBondContact O-OG 3.03Å |
| 524 | L | 68.4 | Low | 67.4 | Low | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 172.3 | -169.3 | 85.3 | 0 | 0 | 0 | 110.8 | T520 V521 S526 E527 P532 L589 V612 I613 Y616 | T520-L524 WeakPolarHBondContact O-CB 3.45Å; T520-L524 PolarHBondContact O-N 3.47Å; V521-L524 WeakPolarHBondContact O-CB 3.39Å; V521-L524 PolarHBondContact O-N 3.19Å; L524-S526 VanDerWaalsContact C-N 3.33Å; L524-E527 PolarHBondContact O-N 3.07Å; L524-P532 HydrophobicContact CB-CG 4.5Å; L524-P532 HydrophobicContact CD1-CB 4.25Å; L524-P532 HydrophobicContact CD1-CG 4.07Å; L524-L589 HydrophobicContact CD2-CD2 4.11Å; L524-V612 HydrophobicContact CD1-CG1 4.19Å; L524-V612 HydrophobicContact CG-CG1 4.05Å; L524-I613 HydrophobicContact CD2-CG1 3.96Å; L524-Y616 HydrophobicContact CD1-CD1 4.25Å; L524-Y616 HydrophobicContact CD1-CD2 3.9Å; L524-Y616 HydrophobicContact CD1-CG 3.73Å; L524-Y616 HydrophobicContact CD2-CD1 4.43Å |
| 525 | M | 66.1 | Low | 66.8 | Low | 14 Ų | 14 | 39.6 Ų | 39.6 | 7% | 0.069 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -74.4 | -22.2 | 178 | -62.5 | -62.2 | -71.4 | 0 | 0 | 113.3 | F439 V521 D522 R523 I592 Q609 I613 | F439-M525 HydrophobicContact CD1-CB 4.31Å; F439-M525 HydrophobicContact CD1-CE 3.66Å; F439-M525 HydrophobicContact CE1-CB 3.4Å; F439-M525 VanDerWaalsContact CE1-CB 3.4Å; F439-M525 HydrophobicContact CE1-CE 3.77Å; F439-M525 HydrophobicContact CE1-CG 3.79Å; F439-M525 HydrophobicContact CG-CE 4.08Å; F439-M525 HydrophobicContact CZ-CB 3.86Å; F439-M525 HydrophobicContact CZ-CE 4.24Å; F439-M525 HydrophobicContact CZ-CG 3.83Å; V521-M525 VanDerWaalsContact O-CG 3.28Å; V521-M525 WeakPolarHBondContact O-CG 3.4Å; V521-M525 PolarHBondContact O-N 3.32Å; D522-M525 PolarHBondContact O-N 3.38Å; R523-M525 VanDerWaalsContact C-N 3.3Å; M525-I592 HydrophobicContact CE-CG2 4.18Å; M525-I592 HydrophobicContact SD-CG2 4.3Å; M525-Q609 HydrophobicContact CE-CB 3.9Å; M525-Q609 HydrophobicContact CE-CG 3.95Å; M525-Q609 HydrophobicContact SD-CB 4.4Å; M525-I613 HydrophobicContact SD-CD1 4.09Å |
| 526 | S | 64.5 | Low | 66.3 | Low | 76 Ų | 76 | 39.6 Ų | 39.6 | 53% | 0.531 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 11.7 | 174.5 | 72.6 | 0 | 0 | 0 | 0 | 115.1 | D522 R523 L524 S528 | D522-S526 PolarHBondContact O-N 2.8Å; D522-S526 PolarHBondContact O-OG 2.81Å; R523-S526 VanDerWaalsContact CA-OG 3.3Å; R523-S526 WeakPolarHBondContact CA-OG 3.49Å; R523-S526 PolarHBondContact O-N 3.3Å; R523-S526 PolarHBondContact O-OG 3.4Å; L524-S526 VanDerWaalsContact C-N 3.33Å; S526-S528 VanDerWaalsContact C-N 3.29Å; S526-S528 PolarHBondContact O-N 2.71Å |
| 527 | E | 61.6 | Low | 65.7 | Low | 134 Ų | 134 | 42 Ų | 42 | 63% | 0.626 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 21.7 | -179.7 | -55.7 | -176.7 | 170.5 | 0 | 0 | 115.5 | R523 L524 | R523-E527 PolarHBondContact O-N 3.11Å; L524-E527 PolarHBondContact O-N 3.07Å |
| 528 | S | 60.7 | Low | 65 | Low | 43 Ų | 43 | 45.1 Ų | 45.1 | 30% | 0.301 | 24% | 0.239 | S | C | . | . | trans | -97.3 | 130.6 | 176.1 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | R523 S526 | R523-S528 VanDerWaalsContact CB-OG 3.24Å; R523-S528 WeakPolarHBondContact CB-OG 3.31Å; R523-S528 PolarHBondContact O-N 3.11Å; R523-S528 VanDerWaalsContact O-N 3.08Å; R523-S528 PolarHBondContact O-OG 3.03Å; S526-S528 VanDerWaalsContact C-N 3.29Å; S526-S528 PolarHBondContact O-N 2.71Å | ||
| 529 | I | 62.3 | Low | 64.5 | Low | 119 Ų | 119 | 45.2 Ų | 45.2 | 61% | 0.61 | 24% | 0.239 | S | C | * | . | trans | -100.6 | -21.1 | -166.1 | -49.6 | 176.1 | 0 | 0 | 0 | 113.1 | L531 P532 L533 | I529-L531 PolarHBondContact O-N 2.89Å; I529-P532 WeakPolarHBondContact O-CD 3.08Å; I529-L533 HydrophobicContact CG2-CD1 3.6Å; I529-L533 HydrophobicContact CG2-CG 3.85Å; I529-L533 WeakPolarHBondContact O-CD1 3.28Å; I529-L533 VanDerWaalsContact O-CG 3.24Å; I529-L533 WeakPolarHBondContact O-CG 2.96Å; I529-L533 PolarHBondContact O-N 3.13Å | ||
| 530 | E | 60.2 | Low | 63.8 | Low | 166 Ų | 166 | 45.2 Ų | 45.2 | 78% | 0.776 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.7 | -42.7 | -170.3 | -64.5 | -179.8 | 171.1 | 0 | 0 | 114.6 | S534 | E530-S534 PolarHBondContact O-N 3.49Å |
| 531 | L | 60.8 | Low | 63.2 | Low | 25 Ų | 25 | 49.3 Ų | 49.3 | 13% | 0.131 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -78.7 | -37.4 | -177 | -153.9 | 77.7 | 0 | 0 | 0 | 113.4 | T520 I529 L533 S534 L535 | T520-L531 HydrophobicContact CG2-CD2 3.55Å; T520-L531 HydrophobicContact CG2-CG 3.86Å; I529-L531 PolarHBondContact O-N 2.89Å; L531-L533 VanDerWaalsContact C-N 3.32Å; L531-L533 PolarHBondContact O-N 3.25Å; L531-S534 PolarHBondContact O-N 3.18Å; L531-S534 PolarHBondContact O-OG 3.17Å; L531-L535 WeakPolarHBondContact O-CB 3.47Å; L531-L535 PolarHBondContact O-N 3.11Å |
| 532 | P | 59.4 | Low | 62.3 | Low | 6 Ų | 6 | 50.1 Ų | 50.1 | 4% | 0.039 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -34.4 | 170.5 | -25.6 | 35.2 | 0 | 0 | 0 | 113.8 | L524 I529 S536 Y616 | L524-P532 HydrophobicContact CB-CG 4.5Å; L524-P532 HydrophobicContact CD1-CB 4.25Å; L524-P532 HydrophobicContact CD1-CG 4.07Å; I529-P532 WeakPolarHBondContact O-CD 3.08Å; P532-S536 PolarHBondContact O-N 3.39Å; P532-S536 VanDerWaalsContact O-N 3.12Å; P532-S536 PolarHBondContact O-OG 2.96Å; P532-Y616 HydrophobicContact CB-CD2 4.02Å; P532-Y616 HydrophobicContact CB-CE2 3.52Å |
| 533 | L | 61.8 | Low | 61.2 | Low | 72 Ų | 72 | 51.2 Ų | 51.2 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.9 | -40.3 | 174 | -73.4 | 170.6 | 0 | 0 | 0 | 112.4 | I529 L531 S536 T537 F619 | I529-L533 HydrophobicContact CG2-CD1 3.6Å; I529-L533 HydrophobicContact CG2-CG 3.85Å; I529-L533 WeakPolarHBondContact O-CD1 3.28Å; I529-L533 VanDerWaalsContact O-CG 3.24Å; I529-L533 WeakPolarHBondContact O-CG 2.96Å; I529-L533 PolarHBondContact O-N 3.13Å; L531-L533 VanDerWaalsContact C-N 3.32Å; L531-L533 PolarHBondContact O-N 3.25Å; L533-S536 PolarHBondContact O-OG 3.11Å; L533-T537 WeakPolarHBondContact O-CG2 3.45Å; L533-T537 PolarHBondContact O-N 3.46Å; L533-F619 HydrophobicContact CD2-CD1 4.48Å; L533-F619 HydrophobicContact CD2-CE1 3.51Å; L533-F619 HydrophobicContact CD2-CE2 3.92Å; L533-F619 HydrophobicContact CD2-CZ 3.18Å |
| 534 | S | 61.7 | Low | 59.8 | Low | 37 Ų | 37 | 53.4 Ų | 53.4 | 26% | 0.259 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 175.4 | 63.7 | 0 | 0 | 0 | 0 | 111.1 | E530 L531 S536 T537 E538 | E530-S534 PolarHBondContact O-N 3.49Å; L531-S534 PolarHBondContact O-N 3.18Å; L531-S534 PolarHBondContact O-OG 3.17Å; S534-S536 VanDerWaalsContact C-N 3.35Å; S534-S536 PolarHBondContact O-N 2.98Å; S534-T537 PolarHBondContact O-N 2.91Å; S534-T537 PolarHBondContact O-OG1 3.02Å; S534-E538 WeakPolarHBondContact O-CG 3.47Å; S534-E538 PolarHBondContact O-N 2.63Å |
| 535 | L | 65.2 | Low | 58 | Low | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 178.1 | -176.8 | 69.2 | 0 | 0 | 0 | 112.4 | T520 L531 E538 L539 I576 L585 | T520-L535 HydrophobicContact CG2-CB 4.26Å; T520-L535 HydrophobicContact CG2-CD2 3.93Å; T520-L535 HydrophobicContact CG2-CG 4.48Å; L531-L535 WeakPolarHBondContact O-CB 3.47Å; L531-L535 PolarHBondContact O-N 3.11Å; L535-E538 PolarHBondContact O-N 2.96Å; L535-L539 HydrophobicContact CD1-CD1 4.28Å; L535-L539 HydrophobicContact CD1-CG 4.24Å; L535-L539 HydrophobicContact CD2-CD1 4.32Å; L535-L539 HydrophobicContact CG-CD1 3.88Å; L535-L539 HydrophobicContact CG-CG 4.26Å; L535-L539 WeakPolarHBondContact O-CB 3.28Å; L535-L539 VanDerWaalsContact O-CG 3.27Å; L535-L539 WeakPolarHBondContact O-CG 3.45Å; L535-L539 PolarHBondContact O-N 3.16Å; L535-I576 HydrophobicContact CD1-CD1 3.56Å; L535-L585 HydrophobicContact CD2-CD1 4.47Å |
| 536 | S | 62.3 | Low | 56.3 | Low | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.007 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 179.1 | 62.9 | 0 | 0 | 0 | 0 | 112.1 | P532 L533 S534 L540 E623 | P532-S536 PolarHBondContact O-N 3.39Å; P532-S536 VanDerWaalsContact O-N 3.12Å; P532-S536 PolarHBondContact O-OG 2.96Å; L533-S536 PolarHBondContact O-OG 3.11Å; S534-S536 VanDerWaalsContact C-N 3.35Å; S534-S536 PolarHBondContact O-N 2.98Å; S536-L540 WeakPolarHBondContact O-CB 3.3Å; S536-L540 WeakPolarHBondContact O-CD1 3.48Å; S536-L540 VanDerWaalsContact O-CG 3.29Å; S536-L540 WeakPolarHBondContact O-CG 3.5Å; S536-L540 PolarHBondContact O-N 3.2Å; S536-E623 WeakPolarHBondContact CB-OE2 3.33Å; S536-E623 PolarHBondContact OG-OE2 3.36Å |
| 537 | T | 61.2 | Low | 54.7 | Low | 62 Ų | 62 | 74.4 Ų | 74.4 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 171.8 | 63.2 | 0 | 0 | 0 | 0 | 112.1 | L533 S534 L540 M541 E623 | L533-T537 WeakPolarHBondContact O-CG2 3.45Å; L533-T537 PolarHBondContact O-N 3.46Å; S534-T537 PolarHBondContact O-N 2.91Å; S534-T537 PolarHBondContact O-OG1 3.02Å; T537-L540 PolarHBondContact O-N 3.32Å; T537-M541 VanDerWaalsContact O-CB 3.22Å; T537-M541 WeakPolarHBondContact O-CB 3.16Å; T537-M541 WeakPolarHBondContact O-CG 3.31Å; T537-M541 PolarHBondContact O-N 3.16Å; T537-E623 WeakPolarHBondContact CG2-OE1 3.42Å |
| 538 | E | 59.4 | Low | 53 | Low | 68 Ų | 68 | 73.1 Ų | 73.1 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69 | -36.4 | 179.5 | -74.2 | -177.6 | -170.7 | 0 | 0 | 112.9 | S534 L535 L540 N542 I576 | S534-E538 WeakPolarHBondContact O-CG 3.47Å; S534-E538 PolarHBondContact O-N 2.63Å; L535-E538 PolarHBondContact O-N 2.96Å; E538-L540 VanDerWaalsContact C-N 3.31Å; E538-L540 PolarHBondContact O-N 3.35Å; E538-N542 PolarHBondContact O-ND2 2.82Å; E538-N542 PolarHBondContact O-OD1 3.22Å; E538-I576 HydrophobicContact CB-CD1 4.25Å; E538-I576 WeakPolarHBondContact OE2-CD1 3.43Å |
| 539 | L | 63.2 | Low | 51.4 | Low | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.016 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.8 | -23.7 | 176.6 | -73.8 | 172.7 | 0 | 0 | 0 | 113.6 | L535 I576 R582 L585 | L535-L539 HydrophobicContact CD1-CD1 4.28Å; L535-L539 HydrophobicContact CD1-CG 4.24Å; L535-L539 HydrophobicContact CD2-CD1 4.32Å; L535-L539 HydrophobicContact CG-CD1 3.88Å; L535-L539 HydrophobicContact CG-CG 4.26Å; L535-L539 WeakPolarHBondContact O-CB 3.28Å; L535-L539 VanDerWaalsContact O-CG 3.27Å; L535-L539 WeakPolarHBondContact O-CG 3.45Å; L535-L539 PolarHBondContact O-N 3.16Å; L539-I576 HydrophobicContact CD2-CG2 4.28Å; L539-R582 HydrophobicContact CD2-CG 4.22Å; L539-R582 PolarHBondContact O-NH2 3.32Å; L539-L585 HydrophobicContact CD1-CD2 4.3Å |
| 540 | L | 60 | Low | 49.8 | Very low | 4 Ų | 4 | 80.1 Ų | 80.1 | 2% | 0.021 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -97.9 | -34 | -177.6 | -68.3 | 168.9 | 0 | 0 | 0 | 113.1 | S536 T537 E538 E623 L627 Y650 L653 | S536-L540 WeakPolarHBondContact O-CB 3.3Å; S536-L540 WeakPolarHBondContact O-CD1 3.48Å; S536-L540 VanDerWaalsContact O-CG 3.29Å; S536-L540 WeakPolarHBondContact O-CG 3.5Å; S536-L540 PolarHBondContact O-N 3.2Å; T537-L540 PolarHBondContact O-N 3.32Å; E538-L540 VanDerWaalsContact C-N 3.31Å; E538-L540 PolarHBondContact O-N 3.35Å; L540-E623 HydrophobicContact CD1-CB 4.27Å; L540-E623 HydrophobicContact CD1-CG 4.19Å; L540-L627 HydrophobicContact CB-CD1 3.83Å; L540-L627 HydrophobicContact CD1-CD1 3.73Å; L540-L627 HydrophobicContact CG-CD1 4.37Å; L540-Y650 HydrophobicContact CD2-CD2 4.2Å; L540-L653 HydrophobicContact CD2-CD1 4.46Å |
| 541 | M | 56.9 | Low | 48.3 | Very low | 88 Ų | 88 | 76.9 Ų | 76.9 | 43% | 0.433 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -98.8 | -5.4 | -169.8 | -65.4 | -69.1 | -76.7 | 0 | 0 | 115.9 | T537 I543 L627 I646 | T537-M541 VanDerWaalsContact O-CB 3.22Å; T537-M541 WeakPolarHBondContact O-CB 3.16Å; T537-M541 WeakPolarHBondContact O-CG 3.31Å; T537-M541 PolarHBondContact O-N 3.16Å; M541-I543 PolarHBondContact O-N 2.98Å; M541-L627 HydrophobicContact SD-CD1 4.4Å; M541-L627 HydrophobicContact SD-CD2 4.15Å; M541-I646 HydrophobicContact SD-CD1 4.43Å |
| 542 | N | 54.4 | Low | 46.7 | Very low | 23 Ų | 23 | 81.1 Ų | 81.1 | 12% | 0.123 | 44% | 0.442 | C | S | . | . | trans | -63.1 | 103.1 | -173.6 | -86.3 | -10.6 | 0 | 0 | 0 | 113.4 | E538 P574 I576 V578 | E538-N542 PolarHBondContact O-ND2 2.82Å; E538-N542 PolarHBondContact O-OD1 3.22Å; N542-P574 WeakPolarHBondContact OD1-CB 3.2Å; N542-I576 PolarHBondContact ND2-O 3.22Å; N542-V578 HydrophobicContact CB-CG2 3.65Å; N542-V578 WeakPolarHBondContact ND2-CG2 3.23Å | ||
| 543 | I | 47.1 | Very low | 45.3 | Very low | 64 Ų | 64 | 89.9 Ų | 89.9 | 33% | 0.328 | 48% | 0.479 | S | S | . | . | trans | -92 | 118.8 | 170.4 | -60.8 | 164.7 | 0 | 0 | 0 | 108.3 | M541 E545 E642 | M541-I543 PolarHBondContact O-N 2.98Å; I543-E545 PolarHBondContact O-N 2.84Å; I543-E642 HydrophobicContact CD1-CG 4.15Å | ||
| 544 | P | 38.2 | Very low | 43.7 | Very low | 103 Ų | 103 | 94.8 Ų | 94.8 | 67% | 0.669 | 50% | 0.497 | S | S | * | . | trans | -76.1 | 104.3 | 168.1 | 28.8 | -28.7 | 0 | 0 | 0 | 108.9 | R546 | P544-R546 PolarHBondContact O-N 3.4Š| ||
| 545 | E | 31.8 | Very low | 42 | Very low | 163 Ų | 163 | 100.4 Ų | 100.4 | 76% | 0.762 | 52% | 0.52 | S | S | * | . | trans | -63.3 | 98 | 168.3 | -78.7 | -171.3 | 169.5 | 0 | 0 | 109.5 | I543 N547 | I543-E545 PolarHBondContact O-N 2.84Å; E545-N547 PolarHBondContact O-N 3.3Å | ||
| 546 | R | 30.4 | Very low | 40.5 | Very low | 223 Ų | 223 | 108.1 Ų | 108.1 | 84% | 0.842 | 56% | 0.555 | S | S | * | * | trans | -76 | 114.9 | 167.5 | -100.5 | -172.8 | -176.6 | 167 | 3 | 109 | P544 S548 | P544-R546 PolarHBondContact O-N 3.4Å; R546-S548 PolarHBondContact O-N 3.49Å | ||
| 547 | N | 29.3 | Very low | 38.8 | Very low | 157 Ų | 157 | 119.2 Ų | 119.2 | 84% | 0.84 | 60% | 0.597 | S | S | * | * | trans | -49.4 | 103.7 | 159.2 | -72.9 | -33.7 | 0 | 0 | 0 | 109.7 | E545 E549 | E545-N547 PolarHBondContact O-N 3.3Å; N547-E549 PolarHBondContact O-N 3.36Å; N547-E549 VanDerWaalsContact O-N 3.11Å | ||
| 548 | S | 27.1 | Very low | 37.4 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 76% | 0.755 | 62% | 0.616 | S | S | * | * | trans | -71.1 | 103.3 | 174.1 | 57.5 | 0 | 0 | 0 | 0 | 109.6 | R546 S550 | R546-S548 PolarHBondContact O-N 3.49Å; S548-S550 PolarHBondContact O-N 3.02Å | ||
| 549 | E | 26.7 | Very low | 36.2 | Very low | 190 Ų | 190 | 123.5 Ų | 123.5 | 89% | 0.888 | 64% | 0.637 | S | S | * | * | trans | -61.9 | 93.7 | 162.5 | -73.9 | -176.2 | 151.6 | 0 | 0 | 109.5 | N547 S551 | N547-E549 PolarHBondContact O-N 3.36Å; N547-E549 VanDerWaalsContact O-N 3.11Å; E549-S551 PolarHBondContact O-N 2.9Å; E549-S551 VanDerWaalsContact O-N 3.11Å | ||
| 550 | S | 28.8 | Very low | 34.4 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 83% | 0.825 | 67% | 0.674 | S | S | * | * | trans | -75.3 | 96.5 | 166.1 | 62.6 | 0 | 0 | 0 | 0 | 108.9 | S548 | S548-S550 PolarHBondContact O-N 3.02Š| ||
| 551 | S | 28.1 | Very low | 33 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | trans | -82.2 | 126.4 | 173.6 | 64.9 | 0 | 0 | 0 | 0 | 111.4 | E549 | E549-S551 PolarHBondContact O-N 2.9Å; E549-S551 VanDerWaalsContact O-N 3.11Å | ||
| 552 | T | 27.8 | Very low | 31.5 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | 98.7 | 108.3 | 151.4 | 73.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 553 | K | 29.2 | Very low | 30.3 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | 75 | 135 | 140.6 | -65.9 | 168.5 | -176 | 175 | 0 | 116.3 | ||||
| 554 | K | 28.5 | Very low | 29.3 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | cis | 179.5 | 128 | -9.7 | -129.6 | -177.3 | -178.1 | -171.3 | 0 | 101.6 | ||||
| 555 | E | 27.1 | Very low | 28.7 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | 147.7 | 122 | 129.6 | -83.3 | 168.8 | -165 | 0 | 0 | 117 | |||||
| 556 | H | 33.5 | Very low | 28.5 | Very low | 162 Ų | 162 | 140 Ų | 140 | 75% | 0.75 | 78% | 0.776 | S | S | * | * | trans | 75.7 | 79.5 | 143.5 | -65.5 | -60.4 | 0 | 0 | 0 | 122.2 | ||||
| 557 | R | 26.3 | Very low | 28.4 | Very low | 235 Ų | 235 | 136.6 Ų | 136.6 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | 10.5 | 130.4 | 122.2 | -72.5 | 179.4 | 172 | 172.6 | -2.6 | 117.8 | |||||
| 558 | S | 32.2 | Very low | 28.2 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | -163.5 | 128 | 125.3 | -67.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 559 | S | 32.8 | Very low | 28.1 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 51 | 105.1 | 154.3 | 51.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 560 | S | 26.8 | Very low | 28.1 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | 67.3 | 101 | 60.3 | 82.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 561 | S | 30.7 | Very low | 28.1 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -166.5 | 128.1 | 134.2 | 53.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 562 | L | 25.7 | Very low | 28.2 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | -72.7 | 150.4 | -171.7 | -63.1 | 88.2 | 0 | 0 | 0 | 113.1 | ||||
| 563 | S | 27.8 | Very low | 28.5 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | trans | -156 | 98.1 | 136.3 | 57.3 | 0 | 0 | 0 | 0 | 110.6 | S565 | S563-S565 PolarHBondContact O-N 3.44Š| ||
| 564 | S | 26 | Very low | 29.4 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -57.9 | 115.7 | 162.9 | 45.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 565 | S | 25.9 | Very low | 30.7 | Very low | 85 Ų | 85 | 120.6 Ų | 120.6 | 59% | 0.594 | 71% | 0.712 | S | S | * | * | trans | 171.6 | 68.7 | 157.9 | 34.3 | 0 | 0 | 0 | 0 | 110 | S563 K1363 | S563-S565 PolarHBondContact O-N 3.44Å; S565-K1363 PolarHBondContact OG-NZ 3.4Å | ||
| 566 | S | 28 | Very low | 32.2 | Very low | 103 Ų | 103 | 113.6 Ų | 113.6 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | trans | -166.6 | 31.8 | 169.8 | 63.4 | 0 | 0 | 0 | 0 | 114.3 | S568 | S566-S568 PolarHBondContact O-N 3.33Š| ||
| 567 | L | 27.7 | Very low | 33.6 | Very low | 151 Ų | 151 | 107.8 Ų | 107.8 | 79% | 0.791 | 65% | 0.654 | S | S | * | * | trans | -99.2 | 70.7 | 171.5 | -85 | 133.1 | 0 | 0 | 0 | 109.2 | F571 | L567-F571 HydrophobicContact CD2-CE2 4.32Š| ||
| 568 | S | 25.3 | Very low | 35.3 | Very low | 113 Ų | 113 | 97.5 Ų | 97.5 | 79% | 0.79 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -158.2 | 42.6 | 170.5 | 54 | 0 | 0 | 0 | 0 | 112.5 | S566 | S566-S568 PolarHBondContact O-N 3.33Š|
| 569 | S | 26 | Very low | 37 | Very low | 114 Ų | 114 | 97.7 Ų | 97.7 | 80% | 0.797 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -172.8 | 45.6 | 168.3 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 570 | S | 26.8 | Very low | 38.5 | Very low | 96 Ų | 96 | 94.3 Ų | 94.3 | 67% | 0.671 | 58% | 0.581 | S | S | * | * | trans | -165.4 | 65.5 | 172.6 | 62.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 571 | F | 27.4 | Very low | 40.4 | Very low | 187 Ų | 187 | 88.9 Ų | 88.9 | 82% | 0.82 | 54% | 0.543 | S | S | * | . | trans | -125.7 | 101.7 | 159.8 | -82.3 | -79.2 | 0 | 0 | 0 | 106.3 | L567 | L567-F571 HydrophobicContact CD2-CE2 4.32Š| ||
| 572 | S | 31.6 | Very low | 42.4 | Very low | 84 Ų | 84 | 83.6 Ų | 83.6 | 59% | 0.587 | 51% | 0.505 | S | S | * | . | trans | -58.8 | 135.7 | 173.6 | 26.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 573 | P | 33.1 | Very low | 44.6 | Very low | 106 Ų | 106 | 80.8 Ų | 80.8 | 69% | 0.688 | 49% | 0.487 | S | S | * | . | trans | -80.8 | 130.9 | 175.1 | 33.2 | -29.4 | 0 | 0 | 0 | 109.2 | ||||
| 574 | P | 47.5 | Very low | 46.8 | Very low | 58 Ų | 58 | 77.6 Ų | 77.6 | 38% | 0.377 | 46% | 0.461 | S | S | . | . | -147.7 | 118.2 | 126.6 | 33.1 | -15 | 0 | 0 | 0 | 112.2 | N542 | N542-P574 WeakPolarHBondContact OD1-CB 3.2Š| |||
| 575 | F | 56.1 | Low | 49.1 | Very low | 56 Ų | 56 | 72.3 Ų | 72.3 | 25% | 0.246 | 42% | 0.424 | C | S | . | . | trans | -127.5 | 22.7 | -175.4 | -71.6 | -54.4 | 0 | 0 | 0 | 115.2 | L467 I471 H509 F512 | L467-F575 HydrophobicContact CD2-CB 3.59Å; L467-F575 HydrophobicContact CD2-CD1 3.44Å; L467-F575 VanDerWaalsContact CD2-CD1 3.44Å; L467-F575 HydrophobicContact CD2-CD2 4.3Å; L467-F575 HydrophobicContact CD2-CE1 4.24Å; L467-F575 HydrophobicContact CD2-CG 3.51Å; L467-F575 HydrophobicContact CG-CD1 4.23Å; I471-F575 HydrophobicContact CD1-CD1 4.04Å; I471-F575 HydrophobicContact CD1-CE1 3.08Å; I471-F575 HydrophobicContact CD1-CE2 4.46Å; I471-F575 HydrophobicContact CD1-CZ 3.34Å; I471-F575 HydrophobicContact CG1-CE1 4.34Å; H509-F575 PolarHBondContact NE2-O 3.09Å; F512-F575 WeakPolarHBondContact CD1-O 3.49Å; F512-F575 HydrophobicContact CE1-CB 4.06Å; F512-F575 WeakPolarHBondContact CE1-O 3.24Å | ||
| 576 | I | 58.6 | Low | 51.6 | Low | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | trans | -106.1 | 128 | 173 | -61.7 | -173.2 | 0 | 0 | 0 | 109.7 | T513 L535 E538 L539 N542 V578 | T513-I576 HydrophobicContact CG2-CG2 3.99Å; L535-I576 HydrophobicContact CD1-CD1 3.56Å; E538-I576 HydrophobicContact CB-CD1 4.25Å; E538-I576 WeakPolarHBondContact OE2-CD1 3.43Å; L539-I576 HydrophobicContact CD2-CG2 4.28Å; N542-I576 PolarHBondContact ND2-O 3.22Å; I576-V578 PolarHBondContact O-N 3.31Å; I576-V578 VanDerWaalsContact O-N 3.08Å | ||
| 577 | D | 62.9 | Low | 53.8 | Low | 41 Ų | 41 | 67.9 Ų | 67.9 | 22% | 0.219 | 39% | 0.385 | C | S | . | . | trans | -70.5 | 102.6 | 166.6 | -161.3 | -39.3 | 0 | 0 | 0 | 109.3 | H509 T513 I579 I580 G581 | H509-D577 VanDerWaalsContact CE1-CB 3.41Å; H509-D577 WeakPolarHBondContact CE1-CB 3.29Å; H509-D577 PolarHBondContact CE1-N 3.28Å; H509-D577 VanDerWaalsContact CE1-N 3.28Å; H509-D577 IonicContact ND1-OD2 3.93Å; T513-D577 HydrophobicContact CG2-CB 4.49Å; T513-D577 PolarHBondContact OG1-N 3.05Å; D577-I579 PolarHBondContact O-N 3.46Å; D577-I579 PolarHBondContact OD1-N 3.08Å; D577-I580 HydrophobicContact CB-CB 4.08Å; D577-I580 HydrophobicContact CB-CD1 4.3Å; D577-I580 HydrophobicContact CB-CG1 4.28Å; D577-I580 PolarHBondContact O-N 3.15Å; D577-I580 VanDerWaalsContact OD2-CD1 3.31Å; D577-I580 WeakPolarHBondContact OD2-CD1 3.32Å; D577-G581 PolarHBondContact O-N 2.95Å | ||
| 578 | V | 63.2 | Low | 55.8 | Low | 18 Ų | 18 | 61 Ų | 61 | 11% | 0.109 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.4 | -34 | -173.8 | 178 | 0 | 0 | 0 | 0 | 112 | N542 I576 R582 | N542-V578 HydrophobicContact CB-CG2 3.65Å; N542-V578 WeakPolarHBondContact ND2-CG2 3.23Å; I576-V578 PolarHBondContact O-N 3.31Å; I576-V578 VanDerWaalsContact O-N 3.08Å; V578-R582 WeakPolarHBondContact O-CD 3.42Å; V578-R582 WeakPolarHBondContact O-CG 3.49Å; V578-R582 PolarHBondContact O-N 3.1Å; V578-R582 PolarHBondContact O-NE 3.35Å |
| 579 | I | 66.5 | Low | 58 | Low | 117 Ų | 117 | 55.7 Ų | 55.7 | 60% | 0.6 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -75.8 | -52.1 | -177.3 | -61.7 | 172.3 | 0 | 0 | 0 | 109.7 | D577 G581 R582 E583 | D577-I579 PolarHBondContact O-N 3.46Å; D577-I579 PolarHBondContact OD1-N 3.08Å; I579-G581 VanDerWaalsContact C-N 3.29Å; I579-G581 PolarHBondContact O-N 3.2Å; I579-R582 PolarHBondContact O-N 2.89Å; I579-E583 PolarHBondContact O-N 3.26Å |
| 580 | I | 64.7 | Low | 60.4 | Low | 36 Ų | 36 | 50.7 Ų | 50.7 | 19% | 0.185 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.3 | -34.3 | -176.8 | -57.3 | -179.5 | 0 | 0 | 0 | 110.6 | Q510 D577 F584 | Q510-I580 HydrophobicContact CG-CD1 3.5Å; Q510-I580 VanDerWaalsContact CG-CD1 3.5Å; D577-I580 HydrophobicContact CB-CB 4.08Å; D577-I580 HydrophobicContact CB-CD1 4.3Å; D577-I580 HydrophobicContact CB-CG1 4.28Å; D577-I580 PolarHBondContact O-N 3.15Å; D577-I580 VanDerWaalsContact OD2-CD1 3.31Å; D577-I580 WeakPolarHBondContact OD2-CD1 3.32Å; I580-F584 VanDerWaalsContact O-CB 3.25Å; I580-F584 WeakPolarHBondContact O-CB 3.46Å; I580-F584 PolarHBondContact O-N 3.11Å; I580-F584 VanDerWaalsContact O-N 3.14Å |
| 581 | G | 66 | Low | 62.4 | Low | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.5 | -33 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I517 D577 I579 L585 | I517-G581 VanDerWaalsContact CD1-O 3.28Å; I517-G581 WeakPolarHBondContact CD1-O 3.48Å; D577-G581 PolarHBondContact O-N 2.95Å; I579-G581 VanDerWaalsContact C-N 3.29Å; I579-G581 PolarHBondContact O-N 3.2Å; G581-L585 WeakPolarHBondContact O-CB 3.06Å; G581-L585 PolarHBondContact O-N 3.06Å; G581-L585 VanDerWaalsContact O-N 3.08Å |
| 582 | R | 72.4 | Confident | 64.4 | Low | 9 Ų | 9 | 40.3 Ų | 40.3 | 3% | 0.034 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70 | -48.3 | 177.5 | -71.2 | 163.6 | -172.5 | -160.7 | -4.2 | 112.2 | L539 V578 I579 F586 N649 L653 | L539-R582 HydrophobicContact CD2-CG 4.22Å; L539-R582 PolarHBondContact O-NH2 3.32Å; V578-R582 WeakPolarHBondContact O-CD 3.42Å; V578-R582 WeakPolarHBondContact O-CG 3.49Å; V578-R582 PolarHBondContact O-N 3.1Å; V578-R582 PolarHBondContact O-NE 3.35Å; I579-R582 PolarHBondContact O-N 2.89Å; R582-F586 WeakPolarHBondContact O-CD2 3.36Å; R582-F586 WeakPolarHBondContact O-CG 3.36Å; R582-F586 PolarHBondContact O-N 3.14Å; R582-N649 VanDerWaalsContact CZ-O 3.23Å; R582-N649 PolarHBondContact NH1-O 3.06Å; R582-N649 PolarHBondContact NH2-O 2.95Å; R582-L653 HydrophobicContact CG-CD1 4.33Å |
| 583 | E | 73.2 | Confident | 66.2 | Low | 104 Ų | 104 | 36.5 Ų | 36.5 | 49% | 0.486 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.5 | -47.4 | 179.7 | -66.8 | -177.5 | 165 | 0 | 0 | 110.7 | I579 L585 F586 D587 T656 | I579-E583 PolarHBondContact O-N 3.26Å; E583-L585 PolarHBondContact O-N 3.39Å; E583-F586 PolarHBondContact O-N 3.38Å; E583-D587 PolarHBondContact O-N 3.36Å; E583-T656 HydrophobicContact CG-CG2 4.04Å |
| 584 | F | 73.1 | Confident | 67.9 | Low | 30 Ų | 30 | 36.4 Ų | 36.4 | 13% | 0.132 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -36.3 | -179.5 | -172 | -107.9 | 0 | 0 | 0 | 113.5 | Y430 K514 I517 I580 D587 C588 | Y430-F584 AromaticContact CD1-CZ 3.88Å; Y430-F584 HydrophobicContact CD1-CZ 3.88Å; Y430-F584 HydrophobicContact CE1-CZ 4.1Å; Y430-F584 HydrophobicContact CG-CZ 4.25Å; K514-F584 HydrophobicContact CB-CD1 4.03Å; K514-F584 HydrophobicContact CB-CE1 3.71Å; K514-F584 HydrophobicContact CB-CZ 4Å; K514-F584 HydrophobicContact CD-CD2 4.36Å; K514-F584 HydrophobicContact CD-CE2 4.27Å; K514-F584 HydrophobicContact CD-CZ 4.47Å; K514-F584 HydrophobicContact CG-CD1 3.86Å; K514-F584 HydrophobicContact CG-CD2 4.16Å; K514-F584 HydrophobicContact CG-CE1 3.97Å; K514-F584 HydrophobicContact CG-CE2 4.25Å; K514-F584 HydrophobicContact CG-CG 3.96Å; K514-F584 HydrophobicContact CG-CZ 4.16Å; K514-F584 WeakPolarHBondContact O-CE1 3.41Å; I517-F584 HydrophobicContact CB-CD1 3.91Å; I517-F584 HydrophobicContact CB-CE1 4.22Å; I517-F584 HydrophobicContact CD1-CB 4.4Å; I517-F584 HydrophobicContact CD1-CD1 3.98Å; I517-F584 HydrophobicContact CG2-CD1 3.7Å; I517-F584 HydrophobicContact CG2-CE1 4.09Å; I580-F584 VanDerWaalsContact O-CB 3.25Å; I580-F584 WeakPolarHBondContact O-CB 3.46Å; I580-F584 PolarHBondContact O-N 3.11Å; I580-F584 VanDerWaalsContact O-N 3.14Å; F584-D587 PolarHBondContact O-N 3.31Å; F584-C588 WeakPolarHBondContact O-CB 3.37Å; F584-C588 PolarHBondContact O-N 3.45Å; F584-C588 PolarHBondContact O-SG 3.48Å |
| 585 | L | 75.6 | Confident | 68.6 | Low | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -46.6 | 173.6 | 178.1 | 70.6 | 0 | 0 | 0 | 111.3 | I517 V521 L535 L539 G581 E583 C588 L589 Y616 | I517-L585 HydrophobicContact CG2-CB 4.19Å; I517-L585 HydrophobicContact CG2-CD1 4Å; V521-L585 HydrophobicContact CG2-CD1 4.13Å; L535-L585 HydrophobicContact CD2-CD1 4.47Å; L539-L585 HydrophobicContact CD1-CD2 4.3Å; G581-L585 WeakPolarHBondContact O-CB 3.06Å; G581-L585 PolarHBondContact O-N 3.06Å; G581-L585 VanDerWaalsContact O-N 3.08Å; E583-L585 PolarHBondContact O-N 3.39Å; L585-C588 PolarHBondContact O-N 2.98Å; L585-L589 HydrophobicContact CD1-CD1 4.41Å; L585-L589 HydrophobicContact CG-CD1 4.22Å; L585-L589 VanDerWaalsContact O-CG 3.32Å; L585-L589 WeakPolarHBondContact O-CG 3.34Å; L585-L589 PolarHBondContact O-N 3.47Å; L585-Y616 HydrophobicContact CD2-CE1 4.34Å |
| 586 | F | 77 | Confident | 68.8 | Low | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.3 | -34.7 | 179.9 | -62.3 | -33.1 | 0 | 0 | 0 | 112.5 | R582 E583 T590 T656 L657 H660 L662 | R582-F586 WeakPolarHBondContact O-CD2 3.36Å; R582-F586 WeakPolarHBondContact O-CG 3.36Å; R582-F586 PolarHBondContact O-N 3.14Å; E583-F586 PolarHBondContact O-N 3.38Å; F586-T590 WeakPolarHBondContact O-CB 3.3Å; F586-T590 PolarHBondContact O-N 3.22Å; F586-T590 PolarHBondContact O-OG1 3.46Å; F586-T656 HydrophobicContact CD2-CG2 4.04Å; F586-T656 HydrophobicContact CE2-CG2 4.07Å; F586-L657 HydrophobicContact CD1-CD1 4.14Å; F586-L657 HydrophobicContact CE1-CD1 3.57Å; F586-L657 HydrophobicContact CE2-CB 4.12Å; F586-L657 HydrophobicContact CE2-CD1 4.21Å; F586-L657 HydrophobicContact CZ-CB 4.01Å; F586-L657 HydrophobicContact CZ-CD1 3.61Å; F586-L657 HydrophobicContact CZ-CG 4.39Å; F586-H660 PolarHBondContact O-CE1 3.03Å; F586-L662 HydrophobicContact CD1-CD2 4.21Å |
| 587 | D | 74.4 | Confident | 69 | Low | 91 Ų | 91 | 39.5 Ų | 39.5 | 49% | 0.487 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.7 | -45.9 | 172.3 | -80.6 | -30.9 | 0 | 0 | 0 | 112.1 | E583 F584 L589 T590 S591 H660 | E583-D587 PolarHBondContact O-N 3.36Å; F584-D587 PolarHBondContact O-N 3.31Å; D587-L589 PolarHBondContact O-N 3.47Å; D587-T590 PolarHBondContact O-N 3.43Å; D587-S591 PolarHBondContact O-N 3.24Å; D587-H660 IonicContact OD1-CE1 2.85Å; D587-H660 IonicContact OD1-NE2 2.79Å; D587-H660 PolarHBondContact OD1-NE2 3.41Å |
| 588 | C | 69.6 | Low | 68.7 | Low | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 176.8 | -70 | 0 | 0 | 0 | 0 | 111.6 | V521 F584 L585 S591 I592 | V521-C588 HydrophobicContact CG2-CB 4.27Å; F584-C588 WeakPolarHBondContact O-CB 3.37Å; F584-C588 PolarHBondContact O-N 3.45Å; F584-C588 PolarHBondContact O-SG 3.48Å; L585-C588 PolarHBondContact O-N 2.98Å; C588-S591 PolarHBondContact O-N 3.12Å; C588-I592 WeakPolarHBondContact O-CG1 3.28Å; C588-I592 PolarHBondContact O-N 2.94Å; C588-I592 VanDerWaalsContact O-N 3.15Å |
| 589 | L | 72.6 | Confident | 68.3 | Low | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.1 | -38.8 | 177.7 | -68.8 | 175.6 | 0 | 0 | 0 | 112 | L524 L585 D587 I592 I593 I613 L662 | L524-L589 HydrophobicContact CD2-CD2 4.11Å; L585-L589 HydrophobicContact CD1-CD1 4.41Å; L585-L589 HydrophobicContact CG-CD1 4.22Å; L585-L589 VanDerWaalsContact O-CG 3.32Å; L585-L589 WeakPolarHBondContact O-CG 3.34Å; L585-L589 PolarHBondContact O-N 3.47Å; D587-L589 PolarHBondContact O-N 3.47Å; L589-I592 PolarHBondContact O-N 2.89Å; L589-I593 WeakPolarHBondContact O-CB 3.39Å; L589-I593 WeakPolarHBondContact O-CD1 3.05Å; L589-I593 WeakPolarHBondContact O-CG1 3.38Å; L589-I593 PolarHBondContact O-N 3Å; L589-I613 HydrophobicContact CD2-CG1 4.37Å; L589-I613 HydrophobicContact CD2-CG2 4.01Å; L589-L662 HydrophobicContact CB-CD1 3.57Å |
| 590 | T | 75.2 | Confident | 67.2 | Low | 10 Ų | 10 | 47.6 Ų | 47.6 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -43.8 | 177.1 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | F586 D587 I592 I593 E594 H660 K661 L662 F665 | F586-T590 WeakPolarHBondContact O-CB 3.3Å; F586-T590 PolarHBondContact O-N 3.22Å; F586-T590 PolarHBondContact O-OG1 3.46Å; D587-T590 PolarHBondContact O-N 3.43Å; T590-I592 VanDerWaalsContact C-N 3.34Å; T590-I592 PolarHBondContact O-N 3.39Å; T590-I593 PolarHBondContact O-N 3.43Å; T590-E594 WeakPolarHBondContact O-CB 3.5Å; T590-E594 PolarHBondContact O-N 3.29Å; T590-H660 PolarHBondContact OG1-CE1 3.42Å; T590-H660 PolarHBondContact OG1-ND1 3.3Å; T590-K661 HydrophobicContact CG2-CB 4.09Å; T590-L662 WeakPolarHBondContact OG1-CD1 3.28Å; T590-F665 HydrophobicContact CG2-CD2 4.38Å; T590-F665 HydrophobicContact CG2-CE2 4.15Å |
| 591 | S | 70.6 | Confident | 66.3 | Low | 56 Ų | 56 | 51.1 Ų | 51.1 | 39% | 0.392 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 178.4 | -169.6 | 0 | 0 | 0 | 0 | 112.7 | D587 C588 K595 | D587-S591 PolarHBondContact O-N 3.24Å; C588-S591 PolarHBondContact O-N 3.12Å; S591-K595 PolarHBondContact O-N 3.47Å |
| 592 | I | 68.4 | Low | 65.5 | Low | 9 Ų | 9 | 56.4 Ų | 56.4 | 5% | 0.046 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.3 | -45.7 | 176.4 | -68.3 | 165.4 | 0 | 0 | 0 | 110.6 | V521 M525 C588 L589 T590 K595 L596 I613 | V521-I592 HydrophobicContact CG1-CD1 3.32Å; M525-I592 HydrophobicContact CE-CG2 4.18Å; M525-I592 HydrophobicContact SD-CG2 4.3Å; C588-I592 WeakPolarHBondContact O-CG1 3.28Å; C588-I592 PolarHBondContact O-N 2.94Å; C588-I592 VanDerWaalsContact O-N 3.15Å; L589-I592 PolarHBondContact O-N 2.89Å; T590-I592 VanDerWaalsContact C-N 3.34Å; T590-I592 PolarHBondContact O-N 3.39Å; I592-K595 PolarHBondContact O-N 2.95Å; I592-L596 HydrophobicContact CG2-CD1 3.85Å; I592-L596 HydrophobicContact CG2-CG 4.45Å; I592-L596 WeakPolarHBondContact O-CB 3.37Å; I592-L596 VanDerWaalsContact O-CG 3.26Å; I592-L596 WeakPolarHBondContact O-CG 3.48Å; I592-L596 PolarHBondContact O-N 3.21Å; I592-I613 HydrophobicContact CG2-CD1 3.99Å |
| 593 | I | 69 | Low | 64.2 | Low | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.8 | -39 | 179.9 | -63.9 | 164.1 | 0 | 0 | 0 | 111.6 | L589 T590 K595 L596 S597 F610 I613 L662 F665 | L589-I593 WeakPolarHBondContact O-CB 3.39Å; L589-I593 WeakPolarHBondContact O-CD1 3.05Å; L589-I593 WeakPolarHBondContact O-CG1 3.38Å; L589-I593 PolarHBondContact O-N 3Å; T590-I593 PolarHBondContact O-N 3.43Å; I593-K595 VanDerWaalsContact C-N 3.35Å; I593-K595 PolarHBondContact O-N 3.08Å; I593-L596 PolarHBondContact O-N 3.49Å; I593-S597 WeakPolarHBondContact O-CB 3.47Å; I593-S597 PolarHBondContact O-N 2.96Å; I593-S597 PolarHBondContact O-OG 3.47Å; I593-F610 HydrophobicContact CG2-CE2 4.1Å; I593-I613 HydrophobicContact CD1-CG2 3.96Å; I593-I613 HydrophobicContact CG1-CD1 4.4Å; I593-I613 HydrophobicContact CG1-CG2 4.38Å; I593-L662 HydrophobicContact CD1-CD1 3.85Å; I593-F665 HydrophobicContact CB-CB 4.42Å; I593-F665 HydrophobicContact CG2-CB 3.39Å; I593-F665 HydrophobicContact CG2-CD1 4.15Å; I593-F665 HydrophobicContact CG2-CG 3.9Å |
| 594 | E | 69.5 | Low | 62.8 | Low | 103 Ų | 103 | 60.5 Ų | 60.5 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 176.9 | -171.5 | 175.8 | -174 | 0 | 0 | 111.3 | T590 S597 T598 F665 | T590-E594 WeakPolarHBondContact O-CB 3.5Å; T590-E594 PolarHBondContact O-N 3.29Å; E594-S597 PolarHBondContact O-N 3Å; E594-S597 PolarHBondContact O-OG 2.94Å; E594-T598 WeakPolarHBondContact O-CG2 3.21Å; E594-T598 PolarHBondContact O-N 3.43Å; E594-T598 PolarHBondContact O-OG1 3.42Å; E594-F665 HydrophobicContact CB-CZ 4.39Å; E594-F665 HydrophobicContact CG-CZ 4.35Å |
| 595 | K | 62.1 | Low | 61.4 | Low | 91 Ų | 91 | 64.1 Ų | 64.1 | 40% | 0.396 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.3 | -34.3 | 174.5 | -77.5 | -176.2 | 174.1 | -171.9 | 0 | 113.4 | V436 S591 I592 I593 S597 T598 | V436-K595 HydrophobicContact CB-CD 3.64Å; V436-K595 HydrophobicContact CG1-CB 4.05Å; V436-K595 HydrophobicContact CG1-CD 3.41Å; V436-K595 VanDerWaalsContact CG1-CD 3.41Å; V436-K595 HydrophobicContact CG1-CG 4.39Å; V436-K595 HydrophobicContact CG2-CD 3.76Å; S591-K595 PolarHBondContact O-N 3.47Å; I592-K595 PolarHBondContact O-N 2.95Å; I593-K595 VanDerWaalsContact C-N 3.35Å; I593-K595 PolarHBondContact O-N 3.08Å; K595-S597 VanDerWaalsContact C-N 3.29Å; K595-S597 PolarHBondContact O-N 3.32Å; K595-T598 WeakPolarHBondContact CA-OG1 3.26Å; K595-T598 PolarHBondContact O-OG1 2.94Å |
| 596 | L | 61 | Low | 60.1 | Low | 24 Ų | 24 | 68.2 Ų | 68.2 | 13% | 0.126 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.4 | -34.6 | 171.1 | -72.6 | 167.1 | 0 | 0 | 0 | 112 | F440 I592 I593 I613 | F440-L596 HydrophobicContact CE2-CD2 4.48Å; F440-L596 HydrophobicContact CZ-CD2 3.95Å; I592-L596 HydrophobicContact CG2-CD1 3.85Å; I592-L596 HydrophobicContact CG2-CG 4.45Å; I592-L596 WeakPolarHBondContact O-CB 3.37Å; I592-L596 VanDerWaalsContact O-CG 3.26Å; I592-L596 WeakPolarHBondContact O-CG 3.48Å; I592-L596 PolarHBondContact O-N 3.21Å; I593-L596 PolarHBondContact O-N 3.49Å; L596-I613 HydrophobicContact CD1-CD1 4.43Å |
| 597 | S | 61.3 | Low | 59.1 | Low | 73 Ų | 73 | 69.2 Ų | 69.2 | 51% | 0.51 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -77.8 | -22.7 | -178.6 | 75.9 | 0 | 0 | 0 | 0 | 115 | I593 E594 K595 | I593-S597 WeakPolarHBondContact O-CB 3.47Å; I593-S597 PolarHBondContact O-N 2.96Å; I593-S597 PolarHBondContact O-OG 3.47Å; E594-S597 PolarHBondContact O-N 3Å; E594-S597 PolarHBondContact O-OG 2.94Å; K595-S597 VanDerWaalsContact C-N 3.29Å; K595-S597 PolarHBondContact O-N 3.32Å |
| 598 | T | 57.7 | Low | 58.4 | Low | 98 Ų | 98 | 67.9 Ų | 67.9 | 60% | 0.601 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -92.3 | -6.9 | -174.4 | 44 | 0 | 0 | 0 | 0 | 114.1 | E594 K595 | E594-T598 WeakPolarHBondContact O-CG2 3.21Å; E594-T598 PolarHBondContact O-N 3.43Å; E594-T598 PolarHBondContact O-OG1 3.42Å; K595-T598 WeakPolarHBondContact CA-OG1 3.26Å; K595-T598 PolarHBondContact O-OG1 2.94Å |
| 599 | S | 53.8 | Low | 58 | Low | 40 Ų | 40 | 69.9 Ų | 69.9 | 28% | 0.28 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -72.4 | 130.1 | 176.1 | 89 | 0 | 0 | 0 | 0 | 111.4 | N601 | S599-N601 PolarHBondContact O-N 3.2Š|
| 600 | K | 44.3 | Very low | 57.7 | Low | 207 Ų | 207 | 72.1 Ų | 72.1 | 90% | 0.9 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -65.2 | 11.7 | -170.8 | -78.5 | 179.4 | 176 | 173.4 | 0 | 116.3 | P602 | K600-P602 WeakPolarHBondContact O-CD 3.29Š|
| 601 | N | 46 | Very low | 57.3 | Low | 110 Ų | 110 | 75.6 Ų | 75.6 | 59% | 0.588 | 43% | 0.427 | S | S | * | . | trans | -102.3 | 110.8 | -176.8 | -88.5 | -21.1 | 0 | 0 | 0 | 111.9 | S599 N603 L604 | S599-N601 PolarHBondContact O-N 3.2Å; N601-N603 PolarHBondContact O-N 3.42Å; N601-L604 HydrophobicContact CB-CD1 3.87Å; N601-L604 PolarHBondContact O-N 3.4Å | ||
| 602 | P | 47.9 | Very low | 57.2 | Low | 112 Ų | 112 | 74.6 Ų | 74.6 | 73% | 0.727 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 3.7 | -176.2 | 27.4 | -34 | 0 | 0 | 0 | 115.2 | K600 | K600-P602 WeakPolarHBondContact O-CD 3.29Š|
| 603 | N | 45.2 | Very low | 57.3 | Low | 131 Ų | 131 | 74.2 Ų | 74.2 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -1 | -177.6 | -67.6 | -14.9 | 0 | 0 | 0 | 114.2 | N601 S606 | N601-N603 PolarHBondContact O-N 3.42Å; N603-S606 PolarHBondContact O-OG 3.07Å |
| 604 | L | 43.9 | Very low | 57.3 | Low | 67 Ų | 67 | 74.5 Ų | 74.5 | 35% | 0.351 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -88.7 | 1.1 | -175.2 | -106.2 | 89.2 | 0 | 0 | 0 | 115.7 | F440 N601 S606 S607 | F440-L604 HydrophobicContact CE1-CD2 4.37Å; N601-L604 HydrophobicContact CB-CD1 3.87Å; N601-L604 PolarHBondContact O-N 3.4Å; L604-S606 PolarHBondContact O-N 3.07Å; L604-S607 PolarHBondContact O-N 3Å; L604-S607 VanDerWaalsContact O-N 3.09Å |
| 605 | S | 43.9 | Very low | 57.4 | Low | 107 Ų | 107 | 75.2 Ų | 75.2 | 75% | 0.748 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -61.4 | 3.2 | 167.5 | 41.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 606 | S | 48.7 | Very low | 58 | Low | 89 Ų | 89 | 71.8 Ų | 71.8 | 62% | 0.622 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -116.5 | 11.9 | 178.6 | 62.1 | 0 | 0 | 0 | 0 | 114 | N603 L604 S608 | N603-S606 PolarHBondContact O-OG 3.07Å; L604-S606 PolarHBondContact O-N 3.07Å; S606-S608 PolarHBondContact O-N 2.64Å |
| 607 | S | 55.4 | Low | 58.6 | Low | 25 Ų | 25 | 71 Ų | 71 | 18% | 0.175 | 40% | 0.402 | C | S | . | . | trans | -66.4 | 132.6 | 178.4 | 84.8 | 0 | 0 | 0 | 0 | 110.9 | L604 Q609 F610 I611 | L604-S607 PolarHBondContact O-N 3Å; L604-S607 VanDerWaalsContact O-N 3.09Å; S607-Q609 PolarHBondContact O-N 2.86Å; S607-Q609 VanDerWaalsContact O-N 3.11Å; S607-F610 PolarHBondContact O-N 3.34Å; S607-F610 PolarHBondContact OG-N 2.97Å; S607-I611 PolarHBondContact O-N 3.39Å | ||
| 608 | S | 59.5 | Low | 59.2 | Low | 62 Ų | 62 | 71.9 Ų | 71.9 | 43% | 0.434 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -50.9 | -36.3 | 177.8 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | S606 I611 V612 | S606-S608 PolarHBondContact O-N 2.64Å; S608-I611 PolarHBondContact O-N 3.19Å; S608-V612 VanDerWaalsContact O-CG2 3.24Å; S608-V612 WeakPolarHBondContact O-CG2 3.49Å; S608-V612 PolarHBondContact O-N 3.35Å |
| 609 | Q | 62.2 | Low | 60 | Low | 48 Ų | 48 | 70.4 Ų | 70.4 | 22% | 0.224 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 179.1 | -64.2 | 170.2 | -4.9 | 0 | 0 | 113.5 | M525 S607 I611 V612 I613 | M525-Q609 HydrophobicContact CE-CB 3.9Å; M525-Q609 HydrophobicContact CE-CG 3.95Å; M525-Q609 HydrophobicContact SD-CB 4.4Å; S607-Q609 PolarHBondContact O-N 2.86Å; S607-Q609 VanDerWaalsContact O-N 3.11Å; Q609-I611 VanDerWaalsContact C-N 3.34Å; Q609-V612 PolarHBondContact O-N 2.89Å; Q609-I613 WeakPolarHBondContact O-CG1 3.29Å; Q609-I613 PolarHBondContact O-N 2.98Å; Q609-I613 VanDerWaalsContact O-N 3.1Å |
| 610 | F | 66 | Low | 60.9 | Low | 48 Ų | 48 | 68.8 Ų | 68.8 | 21% | 0.211 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67 | -37.5 | 176 | -176.4 | -95.2 | 0 | 0 | 0 | 111.7 | I593 S607 C614 P667 | I593-F610 HydrophobicContact CG2-CE2 4.1Å; S607-F610 PolarHBondContact O-N 3.34Å; S607-F610 PolarHBondContact OG-N 2.97Å; F610-C614 PolarHBondContact O-N 2.98Å; F610-C614 VanDerWaalsContact O-N 3.16Å; F610-C614 PolarHBondContact O-SG 2.93Å; F610-P667 HydrophobicContact CE1-CG 4.02Å; F610-P667 HydrophobicContact CZ-CG 4.31Å |
| 611 | I | 67.8 | Low | 62.2 | Low | 84 Ų | 84 | 58.9 Ų | 58.9 | 43% | 0.431 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 176.2 | -63.9 | 172.4 | 0 | 0 | 0 | 110.4 | S607 S608 Q609 I613 C614 Q615 | S607-I611 PolarHBondContact O-N 3.39Å; S608-I611 PolarHBondContact O-N 3.19Å; Q609-I611 VanDerWaalsContact C-N 3.34Å; I611-I613 PolarHBondContact O-N 3.46Å; I611-C614 PolarHBondContact O-N 3.38Å; I611-Q615 HydrophobicContact CG2-CG 4.23Å; I611-Q615 WeakPolarHBondContact O-CB 3.49Å; I611-Q615 VanDerWaalsContact O-CG 3.31Å; I611-Q615 WeakPolarHBondContact O-CG 3.02Å; I611-Q615 PolarHBondContact O-N 2.99Å |
| 612 | V | 68.3 | Low | 63.4 | Low | 34 Ų | 34 | 58.6 Ų | 58.6 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 178.6 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | L524 S608 Q609 C614 Q615 Y616 | L524-V612 HydrophobicContact CD1-CG1 4.19Å; L524-V612 HydrophobicContact CG-CG1 4.05Å; S608-V612 VanDerWaalsContact O-CG2 3.24Å; S608-V612 WeakPolarHBondContact O-CG2 3.49Å; S608-V612 PolarHBondContact O-N 3.35Å; Q609-V612 PolarHBondContact O-N 2.89Å; V612-C614 PolarHBondContact O-N 3.09Å; V612-Q615 PolarHBondContact O-N 3.49Å; V612-Y616 WeakPolarHBondContact O-CB 3.47Å; V612-Y616 PolarHBondContact O-N 3.01Å |
| 613 | I | 70 | Confident | 64.4 | Low | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 175.9 | -65.3 | 164.2 | 0 | 0 | 0 | 111.1 | L524 M525 L589 I592 I593 L596 Q609 I611 Q615 Y616 V617 | L524-I613 HydrophobicContact CD2-CG1 3.96Å; M525-I613 HydrophobicContact SD-CD1 4.09Å; L589-I613 HydrophobicContact CD2-CG1 4.37Å; L589-I613 HydrophobicContact CD2-CG2 4.01Å; I592-I613 HydrophobicContact CG2-CD1 3.99Å; I593-I613 HydrophobicContact CD1-CG2 3.96Å; I593-I613 HydrophobicContact CG1-CD1 4.4Å; I593-I613 HydrophobicContact CG1-CG2 4.38Å; L596-I613 HydrophobicContact CD1-CD1 4.43Å; Q609-I613 WeakPolarHBondContact O-CG1 3.29Å; Q609-I613 PolarHBondContact O-N 2.98Å; Q609-I613 VanDerWaalsContact O-N 3.1Å; I611-I613 PolarHBondContact O-N 3.46Å; I613-Q615 VanDerWaalsContact C-N 3.35Å; I613-Q615 PolarHBondContact O-N 3.21Å; I613-Y616 PolarHBondContact O-N 3.48Å; I613-V617 WeakPolarHBondContact O-CG2 3.41Å; I613-V617 PolarHBondContact O-N 3.23Å; I613-V617 VanDerWaalsContact O-N 3.11Å |
| 614 | C | 68.9 | Low | 65.3 | Low | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.6 | -35.9 | 177 | -68.9 | 0 | 0 | 0 | 0 | 112.9 | F610 I611 V612 R618 P667 | F610-C614 PolarHBondContact O-N 2.98Å; F610-C614 VanDerWaalsContact O-N 3.16Å; F610-C614 PolarHBondContact O-SG 2.93Å; I611-C614 PolarHBondContact O-N 3.38Å; V612-C614 PolarHBondContact O-N 3.09Å; C614-R618 WeakPolarHBondContact O-CG 2.99Å; C614-R618 PolarHBondContact O-N 3.06Å; C614-P667 WeakPolarHBondContact SG-CD 3.5Å |
| 615 | Q | 71.9 | Confident | 66.4 | Low | 117 Ų | 117 | 47.1 Ų | 47.1 | 55% | 0.547 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 175.1 | -75.8 | 175.9 | -9.2 | 0 | 0 | 111.5 | I611 V612 I613 R618 F619 | I611-Q615 HydrophobicContact CG2-CG 4.23Å; I611-Q615 WeakPolarHBondContact O-CB 3.49Å; I611-Q615 VanDerWaalsContact O-CG 3.31Å; I611-Q615 WeakPolarHBondContact O-CG 3.02Å; I611-Q615 PolarHBondContact O-N 2.99Å; V612-Q615 PolarHBondContact O-N 3.49Å; I613-Q615 VanDerWaalsContact C-N 3.35Å; I613-Q615 PolarHBondContact O-N 3.21Å; Q615-R618 PolarHBondContact O-N 2.8Å; Q615-F619 WeakPolarHBondContact O-CB 2.91Å; Q615-F619 PolarHBondContact O-N 3.32Å |
| 616 | Y | 74.2 | Confident | 67.4 | Low | 19 Ų | 19 | 45.4 Ų | 45.4 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 177.4 | -179.6 | -110.9 | 0 | 0 | 0 | 112.7 | L524 P532 L585 V612 I613 R618 F619 L620 | L524-Y616 HydrophobicContact CD1-CD1 4.25Å; L524-Y616 HydrophobicContact CD1-CD2 3.9Å; L524-Y616 HydrophobicContact CD1-CG 3.73Å; L524-Y616 HydrophobicContact CD2-CD1 4.43Å; P532-Y616 HydrophobicContact CB-CD2 4.02Å; P532-Y616 HydrophobicContact CB-CE2 3.52Å; L585-Y616 HydrophobicContact CD2-CE1 4.34Å; V612-Y616 WeakPolarHBondContact O-CB 3.47Å; V612-Y616 PolarHBondContact O-N 3.01Å; I613-Y616 PolarHBondContact O-N 3.48Å; Y616-R618 VanDerWaalsContact C-N 3.33Å; Y616-R618 PolarHBondContact O-N 3.32Å; Y616-F619 PolarHBondContact O-N 2.95Å; Y616-L620 WeakPolarHBondContact O-CB 2.97Å; Y616-L620 PolarHBondContact O-N 2.7Å |
| 617 | V | 74.6 | Confident | 68 | Low | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64 | -37.7 | 175.9 | 176 | 0 | 0 | 0 | 0 | 111.7 | I613 V621 L657 L662 L666 I674 | I613-V617 WeakPolarHBondContact O-CG2 3.41Å; I613-V617 PolarHBondContact O-N 3.23Å; I613-V617 VanDerWaalsContact O-N 3.11Å; V617-V621 PolarHBondContact O-N 3.05Å; V617-L657 HydrophobicContact CG1-CD1 4.39Å; V617-L662 HydrophobicContact CG2-CD2 4.24Å; V617-L666 HydrophobicContact CG1-CD1 4.28Å; V617-I674 HydrophobicContact CG1-CD1 3.96Å |
| 618 | R | 73.6 | Confident | 68.2 | Low | 93 Ų | 93 | 43.2 Ų | 43.2 | 35% | 0.351 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.4 | -45 | 173.4 | -77.6 | -177.6 | 178.6 | 171.7 | 3.3 | 112.2 | C614 Q615 Y616 L620 V621 Q622 S669 C670 | C614-R618 WeakPolarHBondContact O-CG 2.99Å; C614-R618 PolarHBondContact O-N 3.06Å; Q615-R618 PolarHBondContact O-N 2.8Å; Y616-R618 VanDerWaalsContact C-N 3.33Å; Y616-R618 PolarHBondContact O-N 3.32Å; R618-L620 VanDerWaalsContact C-N 3.34Å; R618-L620 PolarHBondContact O-N 3.38Å; R618-V621 PolarHBondContact O-N 3.33Å; R618-Q622 WeakPolarHBondContact O-CG 3.44Å; R618-Q622 PolarHBondContact O-N 3.28Å; R618-S669 PolarHBondContact NH2-OG 2.95Å; R618-C670 PolarHBondContact NE-SG 3.5Å; R618-C670 PolarHBondContact NH2-SG 3.28Å |
| 619 | F | 73 | Confident | 67.9 | Low | 66 Ų | 66 | 41.5 Ų | 41.5 | 29% | 0.289 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 178.8 | 174.4 | -97.8 | 0 | 0 | 0 | 111.4 | L533 Q615 Y616 V621 Q622 E623 | L533-F619 HydrophobicContact CD2-CD1 4.48Å; L533-F619 HydrophobicContact CD2-CE1 3.51Å; L533-F619 HydrophobicContact CD2-CE2 3.92Å; L533-F619 HydrophobicContact CD2-CZ 3.18Å; Q615-F619 WeakPolarHBondContact O-CB 2.91Å; Q615-F619 PolarHBondContact O-N 3.32Å; Y616-F619 PolarHBondContact O-N 2.95Å; F619-V621 VanDerWaalsContact C-N 3.29Å; F619-V621 PolarHBondContact O-N 3.24Å; F619-Q622 PolarHBondContact O-N 3.16Å; F619-Q622 VanDerWaalsContact O-N 3.13Å; F619-E623 WeakPolarHBondContact CE1-OE2 3.37Å; F619-E623 HydrophobicContact CZ-CB 4.4Å; F619-E623 HydrophobicContact CZ-CG 4.49Å; F619-E623 WeakPolarHBondContact CZ-OE2 3.47Å; F619-E623 WeakPolarHBondContact O-CB 3.38Å; F619-E623 PolarHBondContact O-N 2.72Å |
| 620 | L | 73.9 | Confident | 67.6 | Low | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.1 | -38.3 | 178.6 | -170 | 152.4 | 0 | 0 | 0 | 112.6 | Y616 R618 G624 L653 | Y616-L620 WeakPolarHBondContact O-CB 2.97Å; Y616-L620 PolarHBondContact O-N 2.7Å; R618-L620 VanDerWaalsContact C-N 3.34Å; R618-L620 PolarHBondContact O-N 3.38Å; L620-G624 PolarHBondContact O-N 3.27Å; L620-L653 HydrophobicContact CD2-CD1 3.82Å; L620-L653 HydrophobicContact CD2-CD2 3.27Å; L620-L653 HydrophobicContact CD2-CG 4.12Å |
| 621 | V | 71 | Confident | 66.8 | Low | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74.3 | -38.2 | 176.2 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | V617 R618 F619 I625 Y650 L657 Y673 I674 I677 | V617-V621 PolarHBondContact O-N 3.05Å; R618-V621 PolarHBondContact O-N 3.33Å; F619-V621 VanDerWaalsContact C-N 3.29Å; F619-V621 PolarHBondContact O-N 3.24Å; V621-I625 HydrophobicContact CG1-CD1 4.42Å; V621-I625 WeakPolarHBondContact O-CG1 3.41Å; V621-I625 PolarHBondContact O-N 3.43Å; V621-Y650 PolarHBondContact O-OH 3.34Å; V621-L657 HydrophobicContact CG2-CD2 4.03Å; V621-Y673 HydrophobicContact CB-CE1 4.29Å; V621-Y673 HydrophobicContact CG1-CE1 3.88Å; V621-I674 HydrophobicContact CG2-CG1 4.37Å; V621-I677 HydrophobicContact CG1-CD1 3.66Å; V621-I677 HydrophobicContact CG1-CG2 4.31Å |
| 622 | Q | 71 | Confident | 65.9 | Low | 103 Ų | 103 | 43.2 Ų | 43.2 | 48% | 0.481 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.1 | -41.8 | 177.2 | -76.2 | 177.5 | -25.8 | 0 | 0 | 112.8 | R618 F619 G624 I625 C626 Y673 | R618-Q622 WeakPolarHBondContact O-CG 3.44Å; R618-Q622 PolarHBondContact O-N 3.28Å; F619-Q622 PolarHBondContact O-N 3.16Å; F619-Q622 VanDerWaalsContact O-N 3.13Å; Q622-G624 VanDerWaalsContact C-N 3.34Å; Q622-G624 PolarHBondContact O-N 2.99Å; Q622-I625 PolarHBondContact O-N 3.15Å; Q622-C626 WeakPolarHBondContact O-CB 3.37Å; Q622-C626 PolarHBondContact O-N 3.36Å; Q622-Y673 VanDerWaalsContact CG-OH 3.28Å; Q622-Y673 WeakPolarHBondContact CG-OH 3.4Å |
| 623 | E | 68.7 | Low | 64.7 | Low | 29 Ų | 29 | 47.4 Ų | 47.4 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 179.3 | -167.6 | -178.2 | 174.6 | 0 | 0 | 111.4 | S536 T537 L540 F619 I625 C626 L627 | S536-E623 WeakPolarHBondContact CB-OE2 3.33Å; S536-E623 PolarHBondContact OG-OE2 3.36Å; T537-E623 WeakPolarHBondContact CG2-OE1 3.42Å; L540-E623 HydrophobicContact CD1-CB 4.27Å; L540-E623 HydrophobicContact CD1-CG 4.19Å; F619-E623 WeakPolarHBondContact CE1-OE2 3.37Å; F619-E623 HydrophobicContact CZ-CB 4.4Å; F619-E623 HydrophobicContact CZ-CG 4.49Å; F619-E623 WeakPolarHBondContact CZ-OE2 3.47Å; F619-E623 WeakPolarHBondContact O-CB 3.38Å; F619-E623 PolarHBondContact O-N 2.72Å; E623-I625 VanDerWaalsContact C-N 3.31Å; E623-I625 PolarHBondContact O-N 3.38Å; E623-C626 PolarHBondContact O-N 3.49Å; E623-L627 HydrophobicContact CG-CD1 4.14Å; E623-L627 HydrophobicContact CG-CG 4.45Å; E623-L627 WeakPolarHBondContact O-CB 3.2Å; E623-L627 VanDerWaalsContact O-CG 3.3Å; E623-L627 WeakPolarHBondContact O-CG 3.46Å; E623-L627 PolarHBondContact O-N 3.12Å |
| 624 | G | 65.6 | Low | 63.2 | Low | 2 Ų | 2 | 54.8 Ų | 54.8 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -36.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L620 Q622 L628 | L620-G624 PolarHBondContact O-N 3.27Å; Q622-G624 VanDerWaalsContact C-N 3.34Å; Q622-G624 PolarHBondContact O-N 2.99Å; G624-L628 WeakPolarHBondContact O-CB 3.33Å; G624-L628 WeakPolarHBondContact O-CD1 3.33Å; G624-L628 WeakPolarHBondContact O-CG 3.43Å; G624-L628 PolarHBondContact O-N 2.92Å; G624-L628 VanDerWaalsContact O-N 3.13Å |
| 625 | I | 66.9 | Low | 61.5 | Low | 39 Ų | 39 | 60.6 Ų | 60.6 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.3 | -45.1 | 174 | -63.5 | 167.3 | 0 | 0 | 0 | 110.8 | V621 Q622 E623 L627 L628 G629 Y650 I677 F699 | V621-I625 HydrophobicContact CG1-CD1 4.42Å; V621-I625 WeakPolarHBondContact O-CG1 3.41Å; V621-I625 PolarHBondContact O-N 3.43Å; Q622-I625 PolarHBondContact O-N 3.15Å; E623-I625 VanDerWaalsContact C-N 3.31Å; E623-I625 PolarHBondContact O-N 3.38Å; I625-L627 VanDerWaalsContact C-N 3.34Å; I625-L627 PolarHBondContact O-N 3.41Å; I625-L628 PolarHBondContact O-N 3.45Å; I625-G629 PolarHBondContact O-N 2.75Å; I625-Y650 VanDerWaalsContact CG1-OH 3.29Å; I625-Y650 WeakPolarHBondContact CG1-OH 3.44Å; I625-I677 HydrophobicContact CD1-CD1 3.77Å; I625-I677 HydrophobicContact CD1-CG1 4.27Å; I625-I677 HydrophobicContact CD1-CG2 4.27Å; I625-F699 HydrophobicContact CG2-CD1 4.21Å |
| 626 | C | 64.4 | Low | 59.7 | Low | 71 Ų | 71 | 59.7 Ų | 59.7 | 48% | 0.48 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 179.3 | -173 | 0 | 0 | 0 | 0 | 111.9 | Q622 E623 G629 N630 | Q622-C626 WeakPolarHBondContact O-CB 3.37Å; Q622-C626 PolarHBondContact O-N 3.36Å; E623-C626 PolarHBondContact O-N 3.49Å; C626-G629 PolarHBondContact O-N 3.3Å; C626-N630 WeakPolarHBondContact O-CB 3.1Å; C626-N630 PolarHBondContact O-N 3.41Å; C626-N630 PolarHBondContact O-ND2 2.88Å; C626-N630 PolarHBondContact SG-ND2 3.35Å |
| 627 | L | 60.5 | Low | 57.7 | Low | 37 Ų | 37 | 63.6 Ų | 63.6 | 19% | 0.194 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65 | -41.8 | 175.3 | -73.2 | 170.1 | 0 | 0 | 0 | 111.7 | L540 M541 E623 I625 G629 L631 | L540-L627 HydrophobicContact CB-CD1 3.83Å; L540-L627 HydrophobicContact CD1-CD1 3.73Å; L540-L627 HydrophobicContact CG-CD1 4.37Å; M541-L627 HydrophobicContact SD-CD1 4.4Å; M541-L627 HydrophobicContact SD-CD2 4.15Å; E623-L627 HydrophobicContact CG-CD1 4.14Å; E623-L627 HydrophobicContact CG-CG 4.45Å; E623-L627 WeakPolarHBondContact O-CB 3.2Å; E623-L627 VanDerWaalsContact O-CG 3.3Å; E623-L627 WeakPolarHBondContact O-CG 3.46Å; E623-L627 PolarHBondContact O-N 3.12Å; I625-L627 VanDerWaalsContact C-N 3.34Å; I625-L627 PolarHBondContact O-N 3.41Å; L627-G629 VanDerWaalsContact C-N 3.35Å; L627-G629 PolarHBondContact O-N 3.45Å; L627-L631 VanDerWaalsContact O-CD1 3.31Å; L627-L631 WeakPolarHBondContact O-CD1 3.32Å; L627-L631 WeakPolarHBondContact O-CG 3.35Å; L627-L631 PolarHBondContact O-N 3.43Å |
| 628 | L | 59.9 | Low | 55.8 | Low | 31 Ų | 31 | 73.3 Ų | 73.3 | 16% | 0.162 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 173.4 | -81 | 158.6 | 0 | 0 | 0 | 112.4 | G624 I625 V632 Q647 Y650 | G624-L628 WeakPolarHBondContact O-CB 3.33Å; G624-L628 WeakPolarHBondContact O-CD1 3.33Å; G624-L628 WeakPolarHBondContact O-CG 3.43Å; G624-L628 PolarHBondContact O-N 2.92Å; G624-L628 VanDerWaalsContact O-N 3.13Å; I625-L628 PolarHBondContact O-N 3.45Å; L628-V632 WeakPolarHBondContact O-CG2 3.35Å; L628-Q647 HydrophobicContact CD2-CB 4.46Å; L628-Y650 HydrophobicContact CD1-CD1 3.38Å; L628-Y650 HydrophobicContact CD1-CE1 3.69Å; L628-Y650 HydrophobicContact CD1-CG 3.85Å |
| 629 | G | 54.1 | Low | 54.2 | Low | 26 Ų | 26 | 71.7 Ų | 71.7 | 27% | 0.268 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.7 | -42.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | I625 C626 L627 L631 V632 H633 | I625-G629 PolarHBondContact O-N 2.75Å; C626-G629 PolarHBondContact O-N 3.3Å; L627-G629 VanDerWaalsContact C-N 3.35Å; L627-G629 PolarHBondContact O-N 3.45Å; G629-L631 VanDerWaalsContact C-N 3.31Å; G629-L631 PolarHBondContact O-N 3.06Å; G629-V632 PolarHBondContact O-N 2.87Å; G629-H633 PolarHBondContact O-CD2 3.13Å |
| 630 | N | 54.4 | Low | 53.1 | Low | 105 Ų | 105 | 75.4 Ų | 75.4 | 56% | 0.561 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -69.3 | -26 | -178.2 | -76.6 | -29.5 | 0 | 0 | 0 | 113.8 | C626 V632 | C626-N630 WeakPolarHBondContact O-CB 3.1Å; C626-N630 PolarHBondContact O-N 3.41Å; C626-N630 PolarHBondContact O-ND2 2.88Å; C626-N630 PolarHBondContact SG-ND2 3.35Å; N630-V632 VanDerWaalsContact C-N 3.32Å |
| 631 | L | 50 | Low | 52 | Low | 45 Ų | 45 | 83.5 Ų | 83.5 | 24% | 0.236 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -16.9 | 178.4 | -79.9 | 159.2 | 0 | 0 | 0 | 113.4 | L627 G629 L636 L643 I646 | L627-L631 VanDerWaalsContact O-CD1 3.31Å; L627-L631 WeakPolarHBondContact O-CD1 3.32Å; L627-L631 WeakPolarHBondContact O-CG 3.35Å; L627-L631 PolarHBondContact O-N 3.43Å; G629-L631 VanDerWaalsContact C-N 3.31Å; G629-L631 PolarHBondContact O-N 3.06Å; L631-L636 HydrophobicContact CD2-CD1 4.13Å; L631-L643 HydrophobicContact CB-CD1 3.74Å; L631-L643 HydrophobicContact CD1-CD1 4.39Å; L631-L643 HydrophobicContact CG-CD1 4.49Å; L631-I646 HydrophobicContact CD1-CD1 3.83Å; L631-I646 HydrophobicContact CD1-CG2 4.37Å |
| 632 | V | 48.6 | Very low | 51 | Low | 66 Ų | 66 | 87.4 Ų | 87.4 | 40% | 0.4 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -22.9 | 179.5 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | L628 G629 N630 F696 | L628-V632 WeakPolarHBondContact O-CG2 3.35Å; G629-V632 PolarHBondContact O-N 2.87Å; N630-V632 VanDerWaalsContact C-N 3.32Å; V632-F696 HydrophobicContact CG1-CB 3.99Å; V632-F696 HydrophobicContact CG2-CB 4.23Å; V632-F696 HydrophobicContact CG2-CD1 4.19Å; V632-F696 HydrophobicContact CG2-CG 4.15Å |
| 633 | H | 43.2 | Very low | 50.4 | Low | 122 Ų | 122 | 86 Ų | 86 | 57% | 0.565 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -97.9 | 1 | -171.8 | -68.7 | -59.8 | 0 | 0 | 0 | 115.7 | G629 | G629-H633 PolarHBondContact O-CD2 3.13Š|
| 634 | K | 39.2 | Very low | 50 | Low | 156 Ų | 156 | 89.2 Ų | 89.2 | 68% | 0.678 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -106.7 | 134 | 174 | -80.3 | -178.6 | 176.2 | 176.7 | 0 | 110.6 | L636 | K634-L636 VanDerWaalsContact C-N 3.31Å; K634-L636 HydrophobicContact CB-CD1 4.27Å; K634-L636 PolarHBondContact O-N 3.18Å |
| 635 | P | 32 | Very low | 49.8 | Very low | 133 Ų | 133 | 90.4 Ų | 90.4 | 86% | 0.864 | 48% | 0.478 | S | S | * | . | trans | -69.7 | 92 | 173.2 | 29.7 | -30.7 | 0 | 0 | 0 | 107.8 | ||||
| 636 | L | 35.6 | Very low | 49.5 | Very low | 97 Ų | 97 | 89.2 Ų | 89.2 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | trans | -84.4 | 128.5 | -174.2 | -99.4 | 132.1 | 0 | 0 | 0 | 111.2 | L631 K634 K638 | L631-L636 HydrophobicContact CD2-CD1 4.13Å; K634-L636 VanDerWaalsContact C-N 3.31Å; K634-L636 HydrophobicContact CB-CD1 4.27Å; K634-L636 PolarHBondContact O-N 3.18Å; L636-K638 PolarHBondContact O-N 3.24Å | ||
| 637 | P | 31.7 | Very low | 49.5 | Very low | 101 Ų | 101 | 89 Ų | 89 | 66% | 0.656 | 46% | 0.464 | S | S | * | . | trans | -74.3 | 121.9 | 176.3 | 30 | -31.2 | 0 | 0 | 0 | 110.9 | S639 | P637-S639 PolarHBondContact O-N 2.85Š| ||
| 638 | K | 35 | Very low | 49.9 | Very low | 212 Ų | 212 | 93.3 Ų | 93.3 | 92% | 0.922 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 65.3 | 15.2 | 144.6 | -67.6 | -177.9 | 178.4 | 170.9 | 0 | 122.1 | L636 | L636-K638 PolarHBondContact O-N 3.24Š|
| 639 | S | 39.8 | Very low | 50.1 | Low | 58 Ų | 58 | 93.3 Ų | 93.3 | 41% | 0.406 | 48% | 0.481 | S | S | . | . | trans | -149 | 94.7 | 164.8 | 48.9 | 0 | 0 | 0 | 0 | 116.3 | P637 Y641 E642 | P637-S639 PolarHBondContact O-N 2.85Å; S639-Y641 PolarHBondContact O-N 3.25Å; S639-E642 PolarHBondContact O-N 3.38Å | ||
| 640 | N | 48.5 | Very low | 50.8 | Low | 145 Ų | 145 | 92.4 Ų | 92.4 | 78% | 0.775 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -53.2 | -0.3 | 164.9 | -71.6 | -10.5 | 0 | 0 | 0 | 115.1 | N644 | N640-N644 PolarHBondContact O-ND2 3.2Å |
| 641 | Y | 51.2 | Low | 51.6 | Low | 176 Ų | 176 | 89.7 Ų | 89.7 | 69% | 0.69 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -84.1 | -32.4 | -175.9 | -142.8 | -93.2 | 0 | 0 | 0 | 112.5 | S639 S645 | S639-Y641 PolarHBondContact O-N 3.25Å; Y641-S645 WeakPolarHBondContact O-CB 3.15Å; Y641-S645 PolarHBondContact O-N 3.35Å; Y641-S645 PolarHBondContact O-OG 2.88Å |
| 642 | E | 51.6 | Low | 52.4 | Low | 81 Ų | 81 | 90.2 Ų | 90.2 | 38% | 0.379 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -73.3 | -44.2 | -176.3 | -65.8 | 179.9 | 174.2 | 0 | 0 | 111.2 | I543 S639 N644 S645 I646 | I543-E642 HydrophobicContact CD1-CG 4.15Å; S639-E642 PolarHBondContact O-N 3.38Å; E642-N644 PolarHBondContact O-N 3.5Å; E642-S645 PolarHBondContact O-N 3.47Å; E642-I646 WeakPolarHBondContact O-CG1 3.41Å; E642-I646 PolarHBondContact O-N 3.02Å |
| 643 | L | 57 | Low | 53.4 | Low | 74 Ų | 74 | 87.1 Ų | 87.1 | 39% | 0.387 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 176.8 | -159.6 | 88.5 | 0 | 0 | 0 | 112 | L631 S645 I646 Q647 | L631-L643 HydrophobicContact CB-CD1 3.74Å; L631-L643 HydrophobicContact CD1-CD1 4.39Å; L631-L643 HydrophobicContact CG-CD1 4.49Å; L643-S645 VanDerWaalsContact C-N 3.31Å; L643-S645 PolarHBondContact O-N 3.33Å; L643-I646 PolarHBondContact O-N 3.25Å; L643-Q647 VanDerWaalsContact O-CB 3.29Å; L643-Q647 WeakPolarHBondContact O-CB 3.47Å; L643-Q647 PolarHBondContact O-N 3.19Å |
| 644 | N | 60.1 | Low | 54.8 | Low | 96 Ų | 96 | 81.5 Ų | 81.5 | 51% | 0.513 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.8 | -33.9 | 178.6 | -79.9 | -40.2 | 0 | 0 | 0 | 112.4 | N640 E642 K648 | N640-N644 PolarHBondContact O-ND2 3.2Å; E642-N644 PolarHBondContact O-N 3.5Å; N644-K648 WeakPolarHBondContact O-CB 3.46Å; N644-K648 PolarHBondContact O-N 3.35Å |
| 645 | S | 62.4 | Low | 56.4 | Low | 28 Ų | 28 | 79.1 Ų | 79.1 | 20% | 0.196 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -71.3 | -41.7 | 178.2 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | Y641 E642 L643 K648 N649 | Y641-S645 WeakPolarHBondContact O-CB 3.15Å; Y641-S645 PolarHBondContact O-N 3.35Å; Y641-S645 PolarHBondContact O-OG 2.88Å; E642-S645 PolarHBondContact O-N 3.47Å; L643-S645 VanDerWaalsContact C-N 3.31Å; L643-S645 PolarHBondContact O-N 3.33Å; S645-K648 PolarHBondContact O-N 2.92Å; S645-N649 VanDerWaalsContact O-CB 3.32Å; S645-N649 WeakPolarHBondContact O-CB 3.46Å; S645-N649 PolarHBondContact O-N 3.36Å; S645-N649 PolarHBondContact O-ND2 2.81Å |
| 646 | I | 60.9 | Low | 58.2 | Low | 13 Ų | 13 | 74.3 Ų | 74.3 | 7% | 0.067 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.9 | -42.4 | 176.8 | -64.3 | 166.2 | 0 | 0 | 0 | 110.9 | M541 L631 E642 L643 K648 N649 Y650 | M541-I646 HydrophobicContact SD-CD1 4.43Å; L631-I646 HydrophobicContact CD1-CD1 3.83Å; L631-I646 HydrophobicContact CD1-CG2 4.37Å; E642-I646 WeakPolarHBondContact O-CG1 3.41Å; E642-I646 PolarHBondContact O-N 3.02Å; L643-I646 PolarHBondContact O-N 3.25Å; I646-K648 PolarHBondContact O-N 2.87Å; I646-N649 PolarHBondContact O-N 2.79Å; I646-Y650 PolarHBondContact O-N 3.32Å |
| 647 | Q | 64 | Low | 59.9 | Low | 68 Ų | 68 | 69.7 Ų | 69.7 | 32% | 0.318 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.2 | -177 | 178.4 | -5.8 | 0 | 0 | 111.8 | L628 L643 Y650 Q651 | L628-Q647 HydrophobicContact CD2-CB 4.46Å; L643-Q647 VanDerWaalsContact O-CB 3.29Å; L643-Q647 WeakPolarHBondContact O-CB 3.47Å; L643-Q647 PolarHBondContact O-N 3.19Å; Q647-Y650 PolarHBondContact O-N 3.33Å; Q647-Q651 WeakPolarHBondContact O-CB 3.31Å; Q647-Q651 VanDerWaalsContact O-CG 3.31Å; Q647-Q651 WeakPolarHBondContact O-CG 3.38Å; Q647-Q651 PolarHBondContact O-N 3.45Å |
| 648 | K | 67.8 | Low | 61.7 | Low | 127 Ų | 127 | 67.6 Ų | 67.6 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.5 | -45.3 | 175.2 | -175.7 | 178.8 | 178.4 | -175.5 | 0 | 111.3 | N644 S645 I646 Y650 Q651 D652 | N644-K648 WeakPolarHBondContact O-CB 3.46Å; N644-K648 PolarHBondContact O-N 3.35Å; S645-K648 PolarHBondContact O-N 2.92Å; I646-K648 PolarHBondContact O-N 2.87Å; K648-Y650 VanDerWaalsContact C-N 3.32Å; K648-Y650 PolarHBondContact O-N 3.41Å; K648-Q651 PolarHBondContact O-N 3.29Å; K648-D652 VanDerWaalsContact O-CB 3.32Å; K648-D652 WeakPolarHBondContact O-CB 3.39Å; K648-D652 PolarHBondContact O-N 2.81Å |
| 649 | N | 65.3 | Low | 63.5 | Low | 30 Ų | 30 | 62.2 Ų | 62.2 | 16% | 0.16 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 176.1 | -78.1 | -12.1 | 0 | 0 | 0 | 111.8 | R582 S645 I646 L653 | R582-N649 VanDerWaalsContact CZ-O 3.23Å; R582-N649 PolarHBondContact NH1-O 3.06Å; R582-N649 PolarHBondContact NH2-O 2.95Å; S645-N649 VanDerWaalsContact O-CB 3.32Å; S645-N649 WeakPolarHBondContact O-CB 3.46Å; S645-N649 PolarHBondContact O-N 3.36Å; S645-N649 PolarHBondContact O-ND2 2.81Å; I646-N649 PolarHBondContact O-N 2.79Å; N649-L653 WeakPolarHBondContact O-CB 3.44Å; N649-L653 PolarHBondContact O-N 2.99Å; N649-L653 VanDerWaalsContact O-N 3.09Å |
| 650 | Y | 69.3 | Low | 65 | Low | 7 Ų | 7 | 61 Ų | 61 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.6 | -42.3 | 177 | -178.6 | -108.6 | 0 | 0 | 0 | 112.9 | L540 V621 I625 L628 I646 Q647 K648 L653 L654 V681 | L540-Y650 HydrophobicContact CD2-CD2 4.2Å; V621-Y650 PolarHBondContact O-OH 3.34Å; I625-Y650 VanDerWaalsContact CG1-OH 3.29Å; I625-Y650 WeakPolarHBondContact CG1-OH 3.44Å; L628-Y650 HydrophobicContact CD1-CD1 3.38Å; L628-Y650 HydrophobicContact CD1-CE1 3.69Å; L628-Y650 HydrophobicContact CD1-CG 3.85Å; I646-Y650 PolarHBondContact O-N 3.32Å; Q647-Y650 PolarHBondContact O-N 3.33Å; K648-Y650 VanDerWaalsContact C-N 3.32Å; K648-Y650 PolarHBondContact O-N 3.41Å; Y650-L653 PolarHBondContact O-N 3.26Å; Y650-L654 HydrophobicContact CD1-CD1 3.79Å; Y650-L654 HydrophobicContact CE1-CD1 3.26Å; Y650-L654 HydrophobicContact CE1-CG 4.18Å; Y650-L654 HydrophobicContact CE2-CD1 4.29Å; Y650-L654 HydrophobicContact CE2-CG 4.39Å; Y650-L654 PolarHBondContact O-N 2.89Å; Y650-V681 HydrophobicContact CE1-CG2 4.3Å |
| 651 | Q | 70 | Confident | 66.1 | Low | 48 Ų | 48 | 61.3 Ų | 61.3 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 175.7 | -76.2 | 179.9 | -9.5 | 0 | 0 | 112.1 | Q647 K648 L653 L654 K655 V681 | Q647-Q651 WeakPolarHBondContact O-CB 3.31Å; Q647-Q651 VanDerWaalsContact O-CG 3.31Å; Q647-Q651 WeakPolarHBondContact O-CG 3.38Å; Q647-Q651 PolarHBondContact O-N 3.45Å; K648-Q651 PolarHBondContact O-N 3.29Å; Q651-L653 VanDerWaalsContact C-N 3.31Å; Q651-L653 PolarHBondContact O-N 3.37Å; Q651-L654 PolarHBondContact O-N 3.05Å; Q651-K655 WeakPolarHBondContact O-CB 3.23Å; Q651-K655 VanDerWaalsContact O-CG 3.27Å; Q651-K655 WeakPolarHBondContact O-CG 3.42Å; Q651-K655 PolarHBondContact O-N 3.3Å; Q651-V681 HydrophobicContact CG-CG1 3.79Å |
| 652 | D | 68 | Low | 66.8 | Low | 56 Ų | 56 | 52.9 Ų | 52.9 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 177.2 | -70.4 | -18.9 | 0 | 0 | 0 | 110.4 | K648 K655 T656 | K648-D652 VanDerWaalsContact O-CB 3.32Å; K648-D652 WeakPolarHBondContact O-CB 3.39Å; K648-D652 PolarHBondContact O-N 2.81Å; D652-K655 PolarHBondContact O-N 3.13Å; D652-T656 PolarHBondContact O-N 2.95Å; D652-T656 PolarHBondContact O-OG1 3.17Å |
| 653 | L | 69.7 | Low | 67.5 | Low | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 175.2 | -171.6 | 144.6 | 0 | 0 | 0 | 112.2 | L540 R582 L620 N649 Y650 Q651 K655 T656 L657 | L540-L653 HydrophobicContact CD2-CD1 4.46Å; R582-L653 HydrophobicContact CG-CD1 4.33Å; L620-L653 HydrophobicContact CD2-CD1 3.82Å; L620-L653 HydrophobicContact CD2-CD2 3.27Å; L620-L653 HydrophobicContact CD2-CG 4.12Å; N649-L653 WeakPolarHBondContact O-CB 3.44Å; N649-L653 PolarHBondContact O-N 2.99Å; N649-L653 VanDerWaalsContact O-N 3.09Å; Y650-L653 PolarHBondContact O-N 3.26Å; Q651-L653 VanDerWaalsContact C-N 3.31Å; Q651-L653 PolarHBondContact O-N 3.37Å; L653-K655 VanDerWaalsContact C-N 3.35Å; L653-T656 PolarHBondContact O-N 3.31Å; L653-L657 WeakPolarHBondContact O-CB 3.2Å; L653-L657 PolarHBondContact O-N 2.95Å |
| 654 | L | 70.9 | Confident | 68.1 | Low | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 177 | -80.7 | 171 | 0 | 0 | 0 | 111.7 | Y650 Q651 L657 V658 I677 V681 | Y650-L654 HydrophobicContact CD1-CD1 3.79Å; Y650-L654 HydrophobicContact CE1-CD1 3.26Å; Y650-L654 HydrophobicContact CE1-CG 4.18Å; Y650-L654 HydrophobicContact CE2-CD1 4.29Å; Y650-L654 HydrophobicContact CE2-CG 4.39Å; Y650-L654 PolarHBondContact O-N 2.89Å; Q651-L654 PolarHBondContact O-N 3.05Å; L654-L657 PolarHBondContact O-N 3.5Å; L654-V658 WeakPolarHBondContact O-CB 3.34Å; L654-V658 VanDerWaalsContact O-CG2 3.26Å; L654-V658 WeakPolarHBondContact O-CG2 3.31Å; L654-V658 PolarHBondContact O-N 3.07Å; L654-I677 HydrophobicContact CD1-CG2 4.32Å; L654-I677 HydrophobicContact CD2-CG2 4.39Å; L654-V681 HydrophobicContact CD1-CB 4.3Å; L654-V681 HydrophobicContact CD1-CG1 4.26Å; L654-V681 HydrophobicContact CD1-CG2 3.99Å |
| 655 | K | 74.1 | Confident | 68.3 | Low | 107 Ų | 107 | 50.2 Ų | 50.2 | 47% | 0.465 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 175.4 | -76.6 | 172.5 | -176.8 | 172.7 | 0 | 111.7 | Q651 D652 L653 S659 | Q651-K655 WeakPolarHBondContact O-CB 3.23Å; Q651-K655 VanDerWaalsContact O-CG 3.27Å; Q651-K655 WeakPolarHBondContact O-CG 3.42Å; Q651-K655 PolarHBondContact O-N 3.3Å; D652-K655 PolarHBondContact O-N 3.13Å; L653-K655 VanDerWaalsContact C-N 3.35Å; K655-S659 WeakPolarHBondContact O-CB 3.27Å; K655-S659 PolarHBondContact O-N 3.17Å; K655-S659 VanDerWaalsContact O-N 3.13Å; K655-S659 PolarHBondContact O-OG 3.49Å |
| 656 | T | 69.7 | Low | 68.5 | Low | 31 Ų | 31 | 49.1 Ų | 49.1 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.5 | -37.3 | 177.6 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | E583 F586 D652 L653 S659 H660 | E583-T656 HydrophobicContact CG-CG2 4.04Å; F586-T656 HydrophobicContact CD2-CG2 4.04Å; F586-T656 HydrophobicContact CE2-CG2 4.07Å; D652-T656 PolarHBondContact O-N 2.95Å; D652-T656 PolarHBondContact O-OG1 3.17Å; L653-T656 PolarHBondContact O-N 3.31Å; T656-S659 PolarHBondContact O-OG 2.74Å; T656-S659 VanDerWaalsContact O-OG 3.12Å; T656-H660 WeakPolarHBondContact O-CB 3.42Å; T656-H660 PolarHBondContact O-N 2.62Å |
| 657 | L | 71.3 | Confident | 69 | Low | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 177.7 | -176.3 | 70.1 | 0 | 0 | 0 | 112.1 | F586 V617 V621 L653 L654 H660 L662 M663 I674 | F586-L657 HydrophobicContact CD1-CD1 4.14Å; F586-L657 HydrophobicContact CE1-CD1 3.57Å; F586-L657 HydrophobicContact CE2-CB 4.12Å; F586-L657 HydrophobicContact CE2-CD1 4.21Å; F586-L657 HydrophobicContact CZ-CB 4.01Å; F586-L657 HydrophobicContact CZ-CD1 3.61Å; F586-L657 HydrophobicContact CZ-CG 4.39Å; V617-L657 HydrophobicContact CG1-CD1 4.39Å; V621-L657 HydrophobicContact CG2-CD2 4.03Å; L653-L657 WeakPolarHBondContact O-CB 3.2Å; L653-L657 PolarHBondContact O-N 2.95Å; L654-L657 PolarHBondContact O-N 3.5Å; L657-H660 PolarHBondContact O-N 2.92Å; L657-L662 HydrophobicContact CD1-CD2 3.79Å; L657-M663 VanDerWaalsContact O-CG 3.23Å; L657-M663 WeakPolarHBondContact O-CG 3.36Å; L657-I674 HydrophobicContact CD2-CD1 4.19Å; L657-I674 HydrophobicContact CD2-CG2 3.79Å; L657-I674 HydrophobicContact CG-CG2 4.49Å |
| 658 | V | 70.2 | Confident | 69.2 | Low | 57 Ų | 57 | 53.5 Ų | 53.5 | 35% | 0.345 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -72 | -30.1 | -178.9 | 172.3 | 0 | 0 | 0 | 0 | 112.2 | L654 I674 | L654-V658 WeakPolarHBondContact O-CB 3.34Å; L654-V658 VanDerWaalsContact O-CG2 3.26Å; L654-V658 WeakPolarHBondContact O-CG2 3.31Å; L654-V658 PolarHBondContact O-N 3.07Å; V658-I674 HydrophobicContact CG2-CG2 4.23Å |
| 659 | S | 71.3 | Confident | 69.2 | Low | 99 Ų | 99 | 50.9 Ų | 50.9 | 69% | 0.692 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -82.8 | -9.9 | 177 | 65.2 | 0 | 0 | 0 | 0 | 114.1 | K655 T656 | K655-S659 WeakPolarHBondContact O-CB 3.27Å; K655-S659 PolarHBondContact O-N 3.17Å; K655-S659 VanDerWaalsContact O-N 3.13Å; K655-S659 PolarHBondContact O-OG 3.49Å; T656-S659 PolarHBondContact O-OG 2.74Å; T656-S659 VanDerWaalsContact O-OG 3.12Å |
| 660 | H | 71.4 | Confident | 69.2 | Low | 31 Ų | 31 | 49.6 Ų | 49.6 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -83.9 | 150.9 | -174.8 | -153.4 | -89.2 | 0 | 0 | 0 | 113.9 | F586 D587 T590 T656 L657 L662 M663 | F586-H660 PolarHBondContact O-CE1 3.03Å; D587-H660 IonicContact OD1-CE1 2.85Å; D587-H660 IonicContact OD1-NE2 2.79Å; D587-H660 PolarHBondContact OD1-NE2 3.41Å; T590-H660 PolarHBondContact OG1-CE1 3.42Å; T590-H660 PolarHBondContact OG1-ND1 3.3Å; T656-H660 WeakPolarHBondContact O-CB 3.42Å; T656-H660 PolarHBondContact O-N 2.62Å; L657-H660 PolarHBondContact O-N 2.92Å; H660-L662 HydrophobicContact CB-CB 4.25Å; H660-L662 PolarHBondContact ND1-N 3.28Å; H660-L662 VanDerWaalsContact ND1-N 3.17Å; H660-L662 PolarHBondContact O-N 3.39Å; H660-M663 PolarHBondContact O-N 2.66Å |
| 661 | K | 72.5 | Confident | 69.5 | Low | 152 Ų | 152 | 52.5 Ų | 52.5 | 66% | 0.661 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -13.7 | 170.4 | -67.8 | -179.8 | -178.6 | 175 | 0 | 114.2 | T590 M663 D664 F665 | T590-K661 HydrophobicContact CG2-CB 4.09Å; K661-M663 PolarHBondContact O-N 3.49Å; K661-D664 PolarHBondContact O-N 3.05Å; K661-F665 WeakPolarHBondContact O-CD2 3.38Å |
| 662 | L | 65.9 | Low | 69.7 | Low | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.4 | -33.3 | 178.8 | -168.7 | 89.8 | 0 | 0 | 0 | 111 | F586 L589 T590 I593 V617 L657 H660 D664 F665 L666 | F586-L662 HydrophobicContact CD1-CD2 4.21Å; L589-L662 HydrophobicContact CB-CD1 3.57Å; T590-L662 WeakPolarHBondContact OG1-CD1 3.28Å; I593-L662 HydrophobicContact CD1-CD1 3.85Å; V617-L662 HydrophobicContact CG2-CD2 4.24Å; L657-L662 HydrophobicContact CD1-CD2 3.79Å; H660-L662 HydrophobicContact CB-CB 4.25Å; H660-L662 PolarHBondContact ND1-N 3.28Å; H660-L662 VanDerWaalsContact ND1-N 3.17Å; H660-L662 PolarHBondContact O-N 3.39Å; L662-D664 PolarHBondContact O-N 3.48Å; L662-F665 PolarHBondContact O-N 3.41Å; L662-L666 HydrophobicContact CD2-CD1 4.15Å; L662-L666 HydrophobicContact CG-CD1 4.36Å; L662-L666 WeakPolarHBondContact O-CG 3.4Å; L662-L666 PolarHBondContact O-N 2.81Å |
| 663 | M | 66.7 | Low | 70 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.059 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.7 | -29.4 | -179.3 | -75.4 | -66.1 | -78.1 | 0 | 0 | 112.6 | L657 H660 K661 F665 L666 R671 I674 Q675 | L657-M663 VanDerWaalsContact O-CG 3.23Å; L657-M663 WeakPolarHBondContact O-CG 3.36Å; H660-M663 PolarHBondContact O-N 2.66Å; K661-M663 PolarHBondContact O-N 3.49Å; M663-F665 VanDerWaalsContact C-N 3.33Å; M663-F665 PolarHBondContact O-N 3.22Å; M663-L666 HydrophobicContact SD-CD1 4.01Å; M663-R671 HydrophobicContact CE-CG 3.69Å; M663-R671 PolarHBondContact O-NE 3.18Å; M663-R671 PolarHBondContact O-NH1 3.07Å; M663-R671 VanDerWaalsContact O-NH1 3.07Å; M663-R671 PolarHBondContact O-NH2 2.94Å; M663-I674 HydrophobicContact CE-CB 4.36Å; M663-I674 HydrophobicContact CE-CG2 4.14Å; M663-I674 HydrophobicContact SD-CD1 4.25Å; M663-I674 HydrophobicContact SD-CG2 4.24Å; M663-Q675 HydrophobicContact CE-CG 4.19Å |
| 664 | D | 68.2 | Low | 70 | Confident | 113 Ų | 113 | 56.6 Ų | 56.6 | 60% | 0.604 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -70.5 | -28.4 | -178.4 | -71.3 | -28.7 | 0 | 0 | 0 | 113.4 | K661 L662 R671 | K661-D664 PolarHBondContact O-N 3.05Å; L662-D664 PolarHBondContact O-N 3.48Å; D664-R671 VanDerWaalsContact C-NH2 3.32Å; D664-R671 PolarHBondContact O-NH2 3.01Å; D664-R671 IonicContact OD1-NH1 3.52Å |
| 665 | F | 64.7 | Low | 70.1 | Confident | 69 Ų | 69 | 60.4 Ų | 60.4 | 30% | 0.303 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -97.8 | -6.8 | -176.9 | -59.6 | -86.5 | 0 | 0 | 0 | 114.4 | T590 I593 E594 K661 L662 M663 | T590-F665 HydrophobicContact CG2-CD2 4.38Å; T590-F665 HydrophobicContact CG2-CE2 4.15Å; I593-F665 HydrophobicContact CB-CB 4.42Å; I593-F665 HydrophobicContact CG2-CB 3.39Å; I593-F665 HydrophobicContact CG2-CD1 4.15Å; I593-F665 HydrophobicContact CG2-CG 3.9Å; E594-F665 HydrophobicContact CB-CZ 4.39Å; E594-F665 HydrophobicContact CG-CZ 4.35Å; K661-F665 WeakPolarHBondContact O-CD2 3.38Å; L662-F665 PolarHBondContact O-N 3.41Å; M663-F665 VanDerWaalsContact C-N 3.33Å; M663-F665 PolarHBondContact O-N 3.22Å |
| 666 | L | 66 | Low | 70 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -78.7 | 147.4 | -180 | -75.8 | 168 | 0 | 0 | 0 | 112.9 | V617 L662 M663 R671 I674 | V617-L666 HydrophobicContact CG1-CD1 4.28Å; L662-L666 HydrophobicContact CD2-CD1 4.15Å; L662-L666 HydrophobicContact CG-CD1 4.36Å; L662-L666 WeakPolarHBondContact O-CG 3.4Å; L662-L666 PolarHBondContact O-N 2.81Å; M663-L666 HydrophobicContact SD-CD1 4.01Å; L666-R671 PolarHBondContact O-NH2 3.44Å; L666-I674 HydrophobicContact CD1-CD1 4.23Å |
| 667 | P | 71.4 | Confident | 70 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | trans | -55.5 | 145.9 | 173.9 | -24.8 | 33.1 | 0 | 0 | 0 | 113.1 | F610 C614 S669 C670 R671 | F610-P667 HydrophobicContact CE1-CG 4.02Å; F610-P667 HydrophobicContact CZ-CG 4.31Å; C614-P667 WeakPolarHBondContact SG-CD 3.5Å; P667-S669 PolarHBondContact O-N 2.7Å; P667-S669 VanDerWaalsContact O-N 3.13Å; P667-C670 WeakPolarHBondContact O-CB 3.42Å; P667-C670 PolarHBondContact O-N 3.14Å; P667-R671 PolarHBondContact O-N 3.12Å | ||
| 668 | E | 68.5 | Low | 69.8 | Low | 131 Ų | 131 | 58.2 Ų | 58.2 | 61% | 0.612 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -58.5 | -31.9 | -175.6 | -164.8 | 174.4 | 157.7 | 0 | 0 | 113.4 | R671 K672 | E668-R671 PolarHBondContact O-N 2.87Å; E668-K672 HydrophobicContact CG-CD 4.46Å; E668-K672 WeakPolarHBondContact O-CG 3.28Å; E668-K672 PolarHBondContact O-N 3.08Å; E668-K672 VanDerWaalsContact OE1-CE 3.25Å; E668-K672 WeakPolarHBondContact OE1-CE 3.48Å; E668-K672 IonicContact OE1-NZ 2.89Å; E668-K672 PolarHBondContact OE1-NZ 3.37Å |
| 669 | S | 67.1 | Low | 69.6 | Low | 73 Ų | 73 | 61.7 Ų | 61.7 | 51% | 0.51 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.4 | -40.4 | 174.7 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | R618 P667 Y673 | R618-S669 PolarHBondContact NH2-OG 2.95Å; P667-S669 PolarHBondContact O-N 2.7Å; P667-S669 VanDerWaalsContact O-N 3.13Å; S669-Y673 WeakPolarHBondContact O-CB 3.39Å; S669-Y673 PolarHBondContact O-N 3.13Å |
| 670 | C | 67 | Low | 69.2 | Low | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67 | -40.8 | 173.3 | -64.4 | 0 | 0 | 0 | 0 | 111.2 | R618 P667 Y673 I674 | R618-C670 PolarHBondContact NE-SG 3.5Å; R618-C670 PolarHBondContact NH2-SG 3.28Å; P667-C670 WeakPolarHBondContact O-CB 3.42Å; P667-C670 PolarHBondContact O-N 3.14Å; C670-Y673 PolarHBondContact O-N 3.15Å; C670-I674 WeakPolarHBondContact O-CD1 3.4Å; C670-I674 VanDerWaalsContact O-CG1 3.25Å; C670-I674 WeakPolarHBondContact O-CG1 3.5Å; C670-I674 PolarHBondContact O-N 2.65Å |
| 671 | R | 74.2 | Confident | 68.8 | Low | 68 Ų | 68 | 59.3 Ų | 59.3 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.2 | -47.5 | -178.1 | -160.2 | -176.8 | -56.3 | -136.4 | 2.2 | 112 | M663 D664 L666 P667 E668 Y673 I674 Q675 | M663-R671 HydrophobicContact CE-CG 3.69Å; M663-R671 PolarHBondContact O-NE 3.18Å; M663-R671 PolarHBondContact O-NH1 3.07Å; M663-R671 VanDerWaalsContact O-NH1 3.07Å; M663-R671 PolarHBondContact O-NH2 2.94Å; D664-R671 VanDerWaalsContact C-NH2 3.32Å; D664-R671 PolarHBondContact O-NH2 3.01Å; D664-R671 IonicContact OD1-NH1 3.52Å; L666-R671 PolarHBondContact O-NH2 3.44Å; P667-R671 PolarHBondContact O-N 3.12Å; E668-R671 PolarHBondContact O-N 2.87Å; R671-Y673 VanDerWaalsContact C-N 3.35Å; R671-Y673 PolarHBondContact O-N 2.83Å; R671-I674 PolarHBondContact O-N 2.92Å; R671-Q675 WeakPolarHBondContact O-CB 3.44Å; R671-Q675 VanDerWaalsContact O-CG 3.31Å; R671-Q675 WeakPolarHBondContact O-CG 3.33Å; R671-Q675 PolarHBondContact O-N 3.39Å |
| 672 | K | 74.8 | Confident | 68.1 | Low | 122 Ų | 122 | 54.8 Ų | 54.8 | 53% | 0.53 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 176.3 | -73.5 | 177.5 | -177.2 | 166.2 | 0 | 112.1 | E668 S676 | E668-K672 HydrophobicContact CG-CD 4.46Å; E668-K672 WeakPolarHBondContact O-CG 3.28Å; E668-K672 PolarHBondContact O-N 3.08Å; E668-K672 VanDerWaalsContact OE1-CE 3.25Å; E668-K672 WeakPolarHBondContact OE1-CE 3.48Å; E668-K672 IonicContact OE1-NZ 2.89Å; E668-K672 PolarHBondContact OE1-NZ 3.37Å; K672-S676 WeakPolarHBondContact O-CB 3.43Å; K672-S676 PolarHBondContact O-N 3.33Å; K672-S676 PolarHBondContact O-OG 3.01Å |
| 673 | Y | 73.8 | Confident | 67.5 | Low | 71 Ų | 71 | 58.3 Ų | 58.3 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.1 | -52.3 | 175.5 | 177.2 | -103 | 0 | 0 | 0 | 111.8 | V621 Q622 S669 C670 R671 Q675 S676 I677 | V621-Y673 HydrophobicContact CB-CE1 4.29Å; V621-Y673 HydrophobicContact CG1-CE1 3.88Å; Q622-Y673 VanDerWaalsContact CG-OH 3.28Å; Q622-Y673 WeakPolarHBondContact CG-OH 3.4Å; S669-Y673 WeakPolarHBondContact O-CB 3.39Å; S669-Y673 PolarHBondContact O-N 3.13Å; C670-Y673 PolarHBondContact O-N 3.15Å; R671-Y673 VanDerWaalsContact C-N 3.35Å; R671-Y673 PolarHBondContact O-N 2.83Å; Y673-Q675 PolarHBondContact O-N 3.49Å; Y673-S676 PolarHBondContact O-N 2.97Å; Y673-S676 PolarHBondContact O-OG 2.99Å; Y673-I677 HydrophobicContact CD1-CD1 3.84Å; Y673-I677 HydrophobicContact CD2-CD1 3.98Å; Y673-I677 HydrophobicContact CE1-CD1 3.4Å; Y673-I677 VanDerWaalsContact CE1-CD1 3.4Å; Y673-I677 HydrophobicContact CE2-CD1 3.56Å; Y673-I677 HydrophobicContact CG-CD1 4.11Å; Y673-I677 WeakPolarHBondContact O-CG1 3.33Å; Y673-I677 PolarHBondContact O-N 3.14Å; Y673-I677 VanDerWaalsContact O-N 3.16Å |
| 674 | I | 69.6 | Low | 66.2 | Low | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.9 | -40.3 | -179.1 | -63.8 | 163.7 | 0 | 0 | 0 | 111.6 | V617 V621 L657 V658 M663 L666 C670 R671 I677 S678 | V617-I674 HydrophobicContact CG1-CD1 3.96Å; V621-I674 HydrophobicContact CG2-CG1 4.37Å; L657-I674 HydrophobicContact CD2-CD1 4.19Å; L657-I674 HydrophobicContact CD2-CG2 3.79Å; L657-I674 HydrophobicContact CG-CG2 4.49Å; V658-I674 HydrophobicContact CG2-CG2 4.23Å; M663-I674 HydrophobicContact CE-CB 4.36Å; M663-I674 HydrophobicContact CE-CG2 4.14Å; M663-I674 HydrophobicContact SD-CD1 4.25Å; M663-I674 HydrophobicContact SD-CG2 4.24Å; L666-I674 HydrophobicContact CD1-CD1 4.23Å; C670-I674 WeakPolarHBondContact O-CD1 3.4Å; C670-I674 VanDerWaalsContact O-CG1 3.25Å; C670-I674 WeakPolarHBondContact O-CG1 3.5Å; C670-I674 PolarHBondContact O-N 2.65Å; R671-I674 PolarHBondContact O-N 2.92Å; I674-I677 PolarHBondContact O-N 3.34Å; I674-S678 WeakPolarHBondContact O-CB 3.2Å; I674-S678 PolarHBondContact O-N 3.49Å |
| 675 | Q | 73.8 | Confident | 65.1 | Low | 82 Ų | 82 | 61.2 Ų | 61.2 | 38% | 0.383 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 176.2 | -76.4 | 174.4 | -23.9 | 0 | 0 | 111.9 | M663 R671 Y673 I677 S678 E679 | M663-Q675 HydrophobicContact CE-CG 4.19Å; R671-Q675 WeakPolarHBondContact O-CB 3.44Å; R671-Q675 VanDerWaalsContact O-CG 3.31Å; R671-Q675 WeakPolarHBondContact O-CG 3.33Å; R671-Q675 PolarHBondContact O-N 3.39Å; Y673-Q675 PolarHBondContact O-N 3.49Å; Q675-I677 VanDerWaalsContact C-N 3.3Å; Q675-I677 PolarHBondContact O-N 3.18Å; Q675-S678 PolarHBondContact O-N 2.9Å; Q675-E679 WeakPolarHBondContact O-CB 3.33Å; Q675-E679 VanDerWaalsContact O-CG 3.32Å; Q675-E679 WeakPolarHBondContact O-CG 3.29Å; Q675-E679 PolarHBondContact O-N 2.97Å |
| 676 | S | 71.7 | Confident | 63.6 | Low | 61 Ų | 61 | 62.9 Ų | 62.9 | 43% | 0.427 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 177.7 | 69 | 0 | 0 | 0 | 0 | 113 | K672 Y673 A680 | K672-S676 WeakPolarHBondContact O-CB 3.43Å; K672-S676 PolarHBondContact O-N 3.33Å; K672-S676 PolarHBondContact O-OG 3.01Å; Y673-S676 PolarHBondContact O-N 2.97Å; Y673-S676 PolarHBondContact O-OG 2.99Å; S676-A680 WeakPolarHBondContact O-CB 3.48Å; S676-A680 PolarHBondContact O-N 2.66Å |
| 677 | I | 69.2 | Low | 61.8 | Low | 23 Ų | 23 | 66.2 Ų | 66.2 | 12% | 0.118 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -72.7 | -41.9 | 177.5 | -68.5 | 161.8 | 0 | 0 | 0 | 110.7 | V621 I625 L654 Y673 I674 Q675 A680 V681 | V621-I677 HydrophobicContact CG1-CD1 3.66Å; V621-I677 HydrophobicContact CG1-CG2 4.31Å; I625-I677 HydrophobicContact CD1-CD1 3.77Å; I625-I677 HydrophobicContact CD1-CG1 4.27Å; I625-I677 HydrophobicContact CD1-CG2 4.27Å; L654-I677 HydrophobicContact CD1-CG2 4.32Å; L654-I677 HydrophobicContact CD2-CG2 4.39Å; Y673-I677 HydrophobicContact CD1-CD1 3.84Å; Y673-I677 HydrophobicContact CD2-CD1 3.98Å; Y673-I677 HydrophobicContact CE1-CD1 3.4Å; Y673-I677 VanDerWaalsContact CE1-CD1 3.4Å; Y673-I677 HydrophobicContact CE2-CD1 3.56Å; Y673-I677 HydrophobicContact CG-CD1 4.11Å; Y673-I677 WeakPolarHBondContact O-CG1 3.33Å; Y673-I677 PolarHBondContact O-N 3.14Å; Y673-I677 VanDerWaalsContact O-N 3.16Å; I674-I677 PolarHBondContact O-N 3.34Å; Q675-I677 VanDerWaalsContact C-N 3.3Å; Q675-I677 PolarHBondContact O-N 3.18Å; I677-A680 PolarHBondContact O-N 2.99Å; I677-V681 HydrophobicContact CG2-CG2 4.41Å; I677-V681 WeakPolarHBondContact O-CB 3.25Å; I677-V681 WeakPolarHBondContact O-CG2 3.3Å; I677-V681 PolarHBondContact O-N 3.02Å |
| 678 | S | 67.3 | Low | 59.7 | Low | 9 Ų | 9 | 72.8 Ų | 72.8 | 6% | 0.063 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 174.8 | -178.6 | 0 | 0 | 0 | 0 | 112 | I674 Q675 V681 N682 | I674-S678 WeakPolarHBondContact O-CB 3.2Å; I674-S678 PolarHBondContact O-N 3.49Å; Q675-S678 PolarHBondContact O-N 2.9Å; S678-V681 PolarHBondContact O-N 3.21Å; S678-N682 VanDerWaalsContact O-CB 3.25Å; S678-N682 WeakPolarHBondContact O-CB 3.1Å; S678-N682 VanDerWaalsContact O-CG 3.22Å; S678-N682 PolarHBondContact O-N 3.32Å; S678-N682 PolarHBondContact O-ND2 3.1Å; S678-N682 PolarHBondContact OG-ND2 3.39Å; S678-N682 VanDerWaalsContact OG-ND2 3.15Å |
| 679 | E | 66.1 | Low | 57.7 | Low | 131 Ų | 131 | 71.9 Ų | 71.9 | 61% | 0.612 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65 | -42.3 | 175.9 | -74.9 | 171.4 | -169.5 | 0 | 0 | 111.5 | Q675 V681 N682 S683 | Q675-E679 WeakPolarHBondContact O-CB 3.33Å; Q675-E679 VanDerWaalsContact O-CG 3.32Å; Q675-E679 WeakPolarHBondContact O-CG 3.29Å; Q675-E679 PolarHBondContact O-N 2.97Å; E679-V681 VanDerWaalsContact C-N 3.33Å; E679-V681 PolarHBondContact O-N 3.08Å; E679-N682 PolarHBondContact O-N 3.39Å; E679-S683 WeakPolarHBondContact O-CB 3.36Å; E679-S683 PolarHBondContact O-N 3.05Å; E679-S683 PolarHBondContact O-OG 2.99Å |
| 680 | A | 64 | Low | 55.7 | Low | 45 Ų | 45 | 77.2 Ų | 77.2 | 37% | 0.372 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.4 | -32.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | S676 I677 S683 | S676-A680 WeakPolarHBondContact O-CB 3.48Å; S676-A680 PolarHBondContact O-N 2.66Å; I677-A680 PolarHBondContact O-N 2.99Å; A680-S683 PolarHBondContact O-OG 3.34Å |
| 681 | V | 62.3 | Low | 54 | Low | 34 Ų | 34 | 81.9 Ų | 81.9 | 21% | 0.206 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -79.7 | -34.8 | 177.5 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | Y650 Q651 L654 I677 S678 E679 | Y650-V681 HydrophobicContact CE1-CG2 4.3Å; Q651-V681 HydrophobicContact CG-CG1 3.79Å; L654-V681 HydrophobicContact CD1-CB 4.3Å; L654-V681 HydrophobicContact CD1-CG1 4.26Å; L654-V681 HydrophobicContact CD1-CG2 3.99Å; I677-V681 HydrophobicContact CG2-CG2 4.41Å; I677-V681 WeakPolarHBondContact O-CB 3.25Å; I677-V681 WeakPolarHBondContact O-CG2 3.3Å; I677-V681 PolarHBondContact O-N 3.02Å; S678-V681 PolarHBondContact O-N 3.21Å; E679-V681 VanDerWaalsContact C-N 3.33Å; E679-V681 PolarHBondContact O-N 3.08Å |
| 682 | N | 57.7 | Low | 51.8 | Low | 58 Ų | 58 | 84.3 Ų | 84.3 | 31% | 0.31 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -83.5 | -33.9 | -179.5 | -71.5 | -39.8 | 0 | 0 | 0 | 113.4 | S678 E679 R684 S685 | S678-N682 VanDerWaalsContact O-CB 3.25Å; S678-N682 WeakPolarHBondContact O-CB 3.1Å; S678-N682 VanDerWaalsContact O-CG 3.22Å; S678-N682 PolarHBondContact O-N 3.32Å; S678-N682 PolarHBondContact O-ND2 3.1Å; S678-N682 PolarHBondContact OG-ND2 3.39Å; S678-N682 VanDerWaalsContact OG-ND2 3.15Å; E679-N682 PolarHBondContact O-N 3.39Å; N682-R684 PolarHBondContact O-N 3.11Å; N682-S685 PolarHBondContact O-N 3.29Å; N682-S685 PolarHBondContact O-OG 2.94Å |
| 683 | S | 53 | Low | 49.6 | Very low | 73 Ų | 73 | 83.6 Ų | 83.6 | 51% | 0.51 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.7 | -28 | 176.5 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | E679 A680 S685 | E679-S683 WeakPolarHBondContact O-CB 3.36Å; E679-S683 PolarHBondContact O-N 3.05Å; E679-S683 PolarHBondContact O-OG 2.99Å; A680-S683 PolarHBondContact O-OG 3.34Å; S683-S685 VanDerWaalsContact C-N 3.3Å; S683-S685 PolarHBondContact O-N 3.16Å |
| 684 | R | 41 | Very low | 47.7 | Very low | 113 Ų | 113 | 86.5 Ų | 86.5 | 43% | 0.426 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -8.4 | 173.1 | -88.7 | 178.3 | 169.6 | -171.8 | -5.2 | 115.3 | N682 L695 | N682-R684 PolarHBondContact O-N 3.11Å; R684-L695 PolarHBondContact NH2-O 3.3Å |
| 685 | S | 43.2 | Very low | 45.9 | Very low | 73 Ų | 73 | 90.3 Ų | 90.3 | 51% | 0.51 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -13.2 | -176.3 | 68.7 | 0 | 0 | 0 | 0 | 114.8 | N682 S683 | N682-S685 PolarHBondContact O-N 3.29Å; N682-S685 PolarHBondContact O-OG 2.94Å; S683-S685 VanDerWaalsContact C-N 3.3Å; S683-S685 PolarHBondContact O-N 3.16Å |
| 686 | S | 33.9 | Very low | 44 | Very low | 104 Ų | 104 | 90.6 Ų | 90.6 | 73% | 0.727 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -97.9 | -8.2 | -178.5 | 47 | 0 | 0 | 0 | 0 | 114.8 | ||
| 687 | S | 29.4 | Very low | 42 | Very low | 77 Ų | 77 | 92.5 Ų | 92.5 | 54% | 0.538 | 52% | 0.518 | S | S | . | . | trans | -98.1 | 69.5 | 169.2 | 58.4 | 0 | 0 | 0 | 0 | 109.7 | T689 | S687-T689 PolarHBondContact O-N 3.2Š| ||
| 688 | E | 26 | Very low | 40.3 | Very low | 178 Ų | 178 | 95.6 Ų | 95.6 | 83% | 0.832 | 55% | 0.546 | S | S | * | . | trans | -71.9 | 78.5 | 164.9 | -70.8 | -173.6 | 161.9 | 0 | 0 | 108.3 | ||||
| 689 | T | 26.2 | Very low | 38.6 | Very low | 112 Ų | 112 | 100.2 Ų | 100.2 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -171.9 | 102.6 | 162.1 | 12.4 | 0 | 0 | 0 | 0 | 109.7 | S687 | S687-T689 PolarHBondContact O-N 3.2Š|
| 690 | E | 26.2 | Very low | 36.9 | Very low | 185 Ų | 185 | 99.2 Ų | 99.2 | 86% | 0.864 | 56% | 0.563 | S | S | * | * | trans | 65.6 | 172.6 | 163 | -56.2 | -179.5 | 169.6 | 0 | 0 | 115.3 | ||||
| 691 | I | 30.5 | Very low | 35.2 | Very low | 100 Ų | 100 | 102.7 Ų | 102.7 | 51% | 0.513 | 58% | 0.582 | S | S | . | * | trans | 100.8 | 84.2 | 177.1 | -44.4 | 161.3 | 0 | 0 | 0 | 116.5 | L695 | I691-L695 HydrophobicContact CG2-CD1 3.35Š| ||
| 692 | N | 28.7 | Very low | 33.6 | Very low | 120 Ų | 120 | 107.6 Ų | 107.6 | 64% | 0.642 | 61% | 0.607 | S | S | * | * | 51.7 | 125.6 | 118.7 | -57.1 | -18.1 | 0 | 0 | 0 | 121.6 | D694 | N692-D694 PolarHBondContact O-N 2.91Š| |||
| 693 | S | 28.9 | Very low | 32.2 | Very low | 106 Ų | 106 | 110.1 Ų | 110.1 | 74% | 0.741 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 21.3 | 176.7 | 41.9 | 0 | 0 | 0 | 0 | 116.9 | ||
| 694 | D | 33.5 | Very low | 30.9 | Very low | 132 Ų | 132 | 114.2 Ų | 114.2 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | 7.2 | -178.3 | -73.9 | -24.2 | 0 | 0 | 0 | 114.3 | N692 | N692-D694 PolarHBondContact O-N 2.91Š|
| 695 | L | 32 | Very low | 30.2 | Very low | 81 Ų | 81 | 114 Ų | 114 | 42% | 0.424 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98 | 13.8 | -164 | -100.7 | 127.9 | 0 | 0 | 0 | 117.3 | R684 I691 | R684-L695 PolarHBondContact NH2-O 3.3Å; I691-L695 HydrophobicContact CG2-CD1 3.35Å |
| 696 | F | 32.5 | Very low | 29.3 | Very low | 88 Ų | 88 | 117.7 Ų | 117.7 | 39% | 0.386 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.8 | -3.7 | 178.7 | -94.4 | -84.7 | 0 | 0 | 0 | 115.5 | V632 A698 | V632-F696 HydrophobicContact CG1-CB 3.99Å; V632-F696 HydrophobicContact CG2-CB 4.23Å; V632-F696 HydrophobicContact CG2-CD1 4.19Å; V632-F696 HydrophobicContact CG2-CG 4.15Å; F696-A698 PolarHBondContact O-N 2.95Å; F696-A698 VanDerWaalsContact O-N 3.17Å |
| 697 | C | 30.6 | Very low | 29 | Very low | 101 Ų | 101 | 119.4 Ų | 119.4 | 68% | 0.682 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -2.2 | 178.9 | -69 | 0 | 0 | 0 | 0 | 115.1 | ||
| 698 | A | 32.8 | Very low | 28.9 | Very low | 87 Ų | 87 | 121.7 Ų | 121.7 | 72% | 0.719 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 1.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F696 | F696-A698 PolarHBondContact O-N 2.95Å; F696-A698 VanDerWaalsContact O-N 3.17Å |
| 699 | F | 31.4 | Very low | 29.1 | Very low | 107 Ų | 107 | 119.9 Ų | 119.9 | 47% | 0.469 | 68% | 0.681 | S | S | . | * | trans | -103.7 | 22.1 | -172.2 | -99.9 | -80.4 | 0 | 0 | 0 | 115.3 | I625 P701 | I625-F699 HydrophobicContact CG2-CD1 4.21Å; F699-P701 VanDerWaalsContact O-CD 3.27Å; F699-P701 WeakPolarHBondContact O-CD 3.48Å | ||
| 700 | I | 31.3 | Very low | 29.2 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 56% | 0.559 | 69% | 0.686 | S | S | * | * | trans | -91.3 | 109.4 | 177.6 | -54.3 | 173.1 | 0 | 0 | 0 | 109.2 | D702 | I700-D702 PolarHBondContact O-N 3.4Š| ||
| 701 | P | 29.1 | Very low | 29.3 | Very low | 119 Ų | 119 | 120 Ų | 120 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | trans | -90.1 | 97.4 | 163.8 | 22.5 | -3.8 | 0 | 0 | 0 | 107.9 | F699 | F699-P701 VanDerWaalsContact O-CD 3.27Å; F699-P701 WeakPolarHBondContact O-CD 3.48Å | ||
| 702 | D | 28.5 | Very low | 29.3 | Very low | 136 Ų | 136 | 122 Ų | 122 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | -61.9 | 136.1 | 159.6 | -94.3 | -27.7 | 0 | 0 | 0 | 108.7 | I700 L704 | I700-D702 PolarHBondContact O-N 3.4Å; D702-L704 PolarHBondContact O-N 3.02Å | ||
| 703 | P | 28.3 | Very low | 29.2 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -78.9 | 89.5 | 177.8 | 32.4 | -28.8 | 0 | 0 | 0 | 107.3 | ||
| 704 | L | 25.5 | Very low | 29.3 | Very low | 159 Ų | 159 | 124.9 Ų | 124.9 | 83% | 0.832 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 173.4 | 124.5 | 155.7 | -90.7 | 149.7 | 0 | 0 | 0 | 109.4 | D702 | D702-L704 PolarHBondContact O-N 3.02Š|
| 705 | S | 25 | Very low | 29 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 69.5 | 107.7 | 166.6 | 53.5 | 0 | 0 | 0 | 0 | 120.2 | ||
| 706 | D | 26 | Very low | 28.9 | Very low | 152 Ų | 152 | 126 Ų | 126 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | trans | 45.5 | 120.3 | 135.1 | -59 | -28.4 | 0 | 0 | 0 | 121.7 | ||||
| 707 | L | 26.7 | Very low | 28.6 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | trans | 79.4 | 119.1 | 167.7 | -87.3 | 84.2 | 0 | 0 | 0 | 119 | N709 | L707-N709 PolarHBondContact O-N 2.99Š| ||
| 708 | P | 26.9 | Very low | 28.4 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | trans | -84.3 | 102.5 | 158.3 | 32.9 | -23.2 | 0 | 0 | 0 | 108.2 | L710 | P708-L710 PolarHBondContact O-N 3.02Š| ||
| 709 | N | 29.6 | Very low | 28.1 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | trans | -76.8 | 122.8 | 174.3 | -85.8 | -27.5 | 0 | 0 | 0 | 110.6 | L707 | L707-N709 PolarHBondContact O-N 2.99Š| ||
| 710 | L | 28.9 | Very low | 27.9 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | trans | -25.5 | 142.4 | 161.2 | -94 | 64.7 | 0 | 0 | 0 | 115.2 | P708 I712 | P708-L710 PolarHBondContact O-N 3.02Å; L710-I712 PolarHBondContact O-N 3.33Å | ||
| 711 | D | 28.7 | Very low | 27.6 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -43.4 | 108.8 | 158.7 | -74.1 | -42 | 0 | 0 | 0 | 110.6 | ||||
| 712 | I | 30.9 | Very low | 27.4 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | trans | -90.2 | 102.7 | 160.4 | -60.8 | 174.2 | 0 | 0 | 0 | 104.8 | L710 L714 | L710-I712 PolarHBondContact O-N 3.33Å; I712-L714 VanDerWaalsContact C-N 3.31Å; I712-L714 PolarHBondContact O-N 2.85Å | ||
| 713 | D | 26.8 | Very low | 27.3 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | trans | -52.9 | 98 | 163.3 | -91.5 | -34.8 | 0 | 0 | 0 | 108.4 | D715 | D713-D715 PolarHBondContact O-N 3.18Š| ||
| 714 | L | 29.8 | Very low | 27.1 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | -75.8 | 85.7 | 161.9 | -92.3 | 132.9 | 0 | 0 | 0 | 106.3 | I712 S716 | I712-L714 VanDerWaalsContact C-N 3.31Å; I712-L714 PolarHBondContact O-N 2.85Å; L714-S716 PolarHBondContact O-N 3.49Å | ||
| 715 | D | 27 | Very low | 27.1 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -27.1 | 89.5 | 179.5 | -84.2 | -36.4 | 0 | 0 | 0 | 114.4 | D713 | D713-D715 PolarHBondContact O-N 3.18Š|
| 716 | S | 30.1 | Very low | 27.1 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -111.1 | 6.5 | 165.8 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | L714 | L714-S716 PolarHBondContact O-N 3.49Š| ||
| 717 | N | 26.1 | Very low | 27 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | trans | -105.6 | 16.8 | -176.6 | -74.1 | -22.1 | 0 | 0 | 0 | 114.8 | H719 | N717-H719 PolarHBondContact O-N 2.83Š| ||
| 718 | L | 26.7 | Very low | 26.9 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 41 | -178.7 | -136.2 | 98.7 | 0 | 0 | 0 | 114.2 | ||
| 719 | H | 27.8 | Very low | 27 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.8 | 25.8 | 179.4 | -89.3 | -46.7 | 0 | 0 | 0 | 114.5 | N717 | N717-H719 PolarHBondContact O-N 2.83Š|
| 720 | Q | 25.7 | Very low | 26.9 | Very low | 184 Ų | 184 | 135.5 Ų | 135.5 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -174 | 84.8 | 159.3 | -114.2 | 166.2 | 11 | 0 | 0 | 110.9 | ||
| 721 | M | 25 | Very low | 26.9 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 173.4 | 116.8 | 144.6 | -99.5 | -175.7 | 172.4 | 0 | 0 | 109.1 | ||
| 722 | D | 25.7 | Very low | 26.8 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | 43.6 | 108.5 | 142.1 | -57.5 | -22.4 | 0 | 0 | 0 | 119.6 | ||||
| 723 | S | 25.3 | Very low | 26.7 | Very low | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | 19 | 129.3 | 134.5 | 54.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 724 | D | 25 | Very low | 26.7 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | 90.1 | 91.5 | 154.6 | -56.8 | -23.2 | 0 | 0 | 0 | 117.8 | ||||
| 725 | G | 24.9 | Very low | 26.6 | Very low | 73 Ų | 73 | 134.4 Ų | 134.4 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | 112.9 | 96.5 | 147.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 726 | L | 25.6 | Very low | 26.6 | Very low | 178 Ų | 178 | 134 Ų | 134 | 93% | 0.932 | 76% | 0.758 | S | S | * | * | trans | -175.9 | 109.8 | 136 | -96.1 | 163 | 0 | 0 | 0 | 108.9 | ||||
| 727 | N | 24 | Very low | 26.6 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | trans | -69.6 | 142.3 | 170.4 | -69.6 | -57.2 | 0 | 0 | 0 | 110 | ||||
| 728 | S | 24.8 | Very low | 26.7 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | 100.8 | 103.7 | 156.6 | 77.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 729 | P | 28 | Very low | 26.9 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -105.8 | 109.6 | 139.2 | 31.2 | -19.6 | 0 | 0 | 0 | 109.1 | ||
| 730 | G | 29 | Very low | 26.9 | Very low | 51 Ų | 51 | 138.4 Ų | 138.4 | 53% | 0.526 | 76% | 0.761 | S | S | . | * | S | Bend | trans | 86.5 | 33.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | G732 | G730-G732 PolarHBondContact O-N 3Š|
| 731 | L | 27.6 | Very low | 27.1 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -82.3 | 10.6 | 167.3 | -105.7 | 150.1 | 0 | 0 | 0 | 113.8 | ||||
| 732 | G | 27.5 | Very low | 27.2 | Very low | 55 Ų | 55 | 136.8 Ų | 136.8 | 57% | 0.567 | 76% | 0.756 | S | S | * | * | trans | -96.6 | 0.2 | -173 | 0 | 0 | 0 | 0 | 0 | 117.5 | G730 W734 | G730-G732 PolarHBondContact O-N 3Å; G732-W734 VanDerWaalsContact C-N 3.26Å; G732-W734 PolarHBondContact O-N 2.87Å | ||
| 733 | F | 28.2 | Very low | 27.3 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 77% | 0.768 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -0.8 | -169.3 | -139.7 | -94 | 0 | 0 | 0 | 115.6 | ||
| 734 | W | 27.1 | Very low | 27.3 | Very low | 230 Ų | 230 | 135.6 Ų | 135.6 | 87% | 0.871 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | -1.3 | -178.6 | -79.5 | 87.1 | 0 | 0 | 0 | 115 | G732 | G732-W734 VanDerWaalsContact C-N 3.26Å; G732-W734 PolarHBondContact O-N 2.87Å |
| 735 | A | 28.2 | Very low | 27.3 | Very low | 88 Ų | 88 | 133 Ų | 133 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -92.4 | -14 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 736 | N | 27 | Very low | 27.3 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 65% | 0.652 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -111.2 | 10 | -178 | -74.5 | -18.6 | 0 | 0 | 0 | 114.1 | E738 | N736-E738 VanDerWaalsContact C-N 3.34Å; N736-E738 PolarHBondContact O-N 2.61Å |
| 737 | Y | 29.1 | Very low | 27.2 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -8.5 | -173.4 | -141.3 | -94.8 | 0 | 0 | 0 | 114.3 | ||
| 738 | E | 29.3 | Very low | 27.2 | Very low | 201 Ų | 201 | 143 Ų | 143 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -2.7 | 178.1 | -75.9 | -175.3 | 156.6 | 0 | 0 | 114.5 | N736 | N736-E738 VanDerWaalsContact C-N 3.34Å; N736-E738 PolarHBondContact O-N 2.61Å |
| 739 | A | 30 | Very low | 27 | Very low | 78 Ų | 78 | 147.8 Ų | 147.8 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -105.1 | -7.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 740 | Y | 28.5 | Very low | 26.8 | Very low | 193 Ų | 193 | 146.9 Ų | 146.9 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | trans | -116.9 | 30.8 | -167.6 | -82.3 | -83.1 | 0 | 0 | 0 | 115.2 | ||||
| 741 | Q | 29.4 | Very low | 26.6 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -86 | -2 | 170.2 | -86.9 | -169.3 | 1.2 | 0 | 0 | 114.7 | ||
| 742 | N | 27.4 | Very low | 26.4 | Very low | 145 Ų | 145 | 154.9 Ų | 154.9 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -132 | 87.4 | -177.6 | -76.7 | -31.7 | 0 | 0 | 0 | 110.8 | ||
| 743 | T | 28.6 | Very low | 26.3 | Very low | 138 Ų | 138 | 155.4 Ų | 155.4 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | 166 | 122.1 | 143.2 | 38.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 744 | G | 24.8 | Very low | 26.4 | Very low | 76 Ų | 76 | 150.5 Ų | 150.5 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -75.7 | 164.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 745 | S | 24.3 | Very low | 26.7 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | 88 | 78.7 | 168.7 | -166.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 746 | F | 24.6 | Very low | 26.9 | Very low | 215 Ų | 215 | 141.9 Ų | 141.9 | 94% | 0.943 | 76% | 0.76 | S | S | * | * | trans | -90.6 | 106.5 | 145.7 | -107.9 | -85.1 | 0 | 0 | 0 | 109.2 | ||||
| 747 | R | 23.3 | Very low | 27.2 | Very low | 223 Ų | 223 | 139.4 Ų | 139.4 | 84% | 0.842 | 74% | 0.744 | S | S | * | * | trans | -80.2 | 115.5 | 172.1 | -150.5 | -179.1 | -166.7 | -158.7 | 3.8 | 106.7 | Q749 | R747-Q749 PolarHBondContact O-N 3.48Š| ||
| 748 | Q | 24.4 | Very low | 27.2 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | trans | -62.7 | 100 | 174.7 | -86.1 | 172.5 | -23.5 | 0 | 0 | 110.2 | V750 | Q748-V750 HydrophobicContact CB-CG2 4.28Å; Q748-V750 HydrophobicContact CG-CG2 4.44Å | ||
| 749 | Q | 21.2 | Very low | 27.1 | Very low | 192 Ų | 192 | 133.1 Ų | 133.1 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | trans | -91.3 | 90 | 153.3 | -82.9 | -177.5 | -39.6 | 0 | 0 | 106.8 | R747 | R747-Q749 PolarHBondContact O-N 3.48Š| ||
| 750 | V | 23.7 | Very low | 26.8 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | trans | -92 | 120.7 | 169.2 | 177.4 | 0 | 0 | 0 | 0 | 107.1 | Q748 R752 | Q748-V750 HydrophobicContact CB-CG2 4.28Å; Q748-V750 HydrophobicContact CG-CG2 4.44Å; V750-R752 PolarHBondContact O-N 3.44Å; V750-R752 VanDerWaalsContact O-N 3.16Å | ||
| 751 | S | 24.2 | Very low | 26.8 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | -54.8 | 115.8 | 169.9 | -41.2 | 0 | 0 | 0 | 0 | 108.8 | G753 | S751-G753 VanDerWaalsContact C-N 3.26Å; S751-G753 PolarHBondContact O-N 3.37Å | ||
| 752 | R | 23.8 | Very low | 26.8 | Very low | 264 Ų | 264 | 128.4 Ų | 128.4 | 100% | 0.996 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -68.9 | 83 | 176.3 | -82.6 | -178.5 | 170.4 | -179.8 | -3.4 | 109.8 | V750 | V750-R752 PolarHBondContact O-N 3.44Å; V750-R752 VanDerWaalsContact O-N 3.16Å |
| 753 | G | 26.3 | Very low | 26.9 | Very low | 67 Ų | 67 | 127.1 Ų | 127.1 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | trans | -142.2 | 61.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | S751 | S751-G753 VanDerWaalsContact C-N 3.26Å; S751-G753 PolarHBondContact O-N 3.37Å | ||
| 754 | G | 28.8 | Very low | 27 | Very low | 71 Ų | 71 | 124.6 Ų | 124.6 | 73% | 0.732 | 72% | 0.719 | S | S | * | * | trans | -79.9 | 126.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 755 | S | 33.3 | Very low | 27.2 | Very low | 51 Ų | 51 | 127.9 Ų | 127.9 | 36% | 0.357 | 72% | 0.716 | S | S | . | * | trans | -55.3 | 149.9 | 167 | 75.5 | 0 | 0 | 0 | 0 | 109.9 | F757 | S755-F757 PolarHBondContact O-N 2.98Š| ||
| 756 | P | 33.2 | Very low | 27.5 | Very low | 86 Ų | 86 | 130.6 Ų | 130.6 | 56% | 0.558 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 1.9 | -176.6 | -18 | 30.3 | 0 | 0 | 0 | 114.7 | ||
| 757 | F | 32.8 | Very low | 27.8 | Very low | 71 Ų | 71 | 124.4 Ų | 124.4 | 31% | 0.311 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.7 | 18.4 | -163.4 | -57.9 | -66.3 | 0 | 0 | 0 | 114.8 | S755 I759 R906 E1051 | S755-F757 PolarHBondContact O-N 2.98Å; F757-I759 PolarHBondContact O-N 3.47Å; F757-R906 HydrophobicContact CB-CB 4.5Å; F757-R906 HydrophobicContact CD2-CB 4.48Å; F757-R906 WeakPolarHBondContact CD2-O 3.04Å; F757-E1051 WeakPolarHBondContact CE1-OE1 3.4Å |
| 758 | G | 28.4 | Very low | 28.2 | Very low | 59 Ų | 59 | 121.2 Ų | 121.2 | 61% | 0.608 | 69% | 0.691 | S | S | * | * | trans | -83.3 | 89.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V760 | G758-V760 PolarHBondContact O-N 3.35Š| ||
| 759 | I | 27.2 | Very low | 28.5 | Very low | 170 Ų | 170 | 116.4 Ų | 116.4 | 87% | 0.872 | 68% | 0.682 | S | S | * | * | trans | -79.8 | 99.9 | 146.1 | -62.8 | 175 | 0 | 0 | 0 | 106 | F757 G761 | F757-I759 PolarHBondContact O-N 3.47Å; I759-G761 PolarHBondContact O-N 2.86Å | ||
| 760 | V | 25.2 | Very low | 28.8 | Very low | 137 Ų | 137 | 114 Ų | 114 | 83% | 0.83 | 68% | 0.675 | S | S | * | * | trans | -63.9 | 113 | 173.3 | 177 | 0 | 0 | 0 | 0 | 108.3 | G758 | G758-V760 PolarHBondContact O-N 3.35Š| ||
| 761 | G | 28.1 | Very low | 28.9 | Very low | 55 Ų | 55 | 117.6 Ų | 117.6 | 57% | 0.567 | 69% | 0.685 | S | S | * | * | trans | -157 | 70.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | I759 V763 | I759-G761 PolarHBondContact O-N 2.86Å; G761-V763 PolarHBondContact O-N 3.18Å; G761-V763 VanDerWaalsContact O-N 3.1Å | ||
| 762 | D | 28.5 | Very low | 29 | Very low | 163 Ų | 163 | 117.2 Ų | 117.2 | 87% | 0.872 | 68% | 0.682 | S | S | * | * | trans | -54.6 | 111.9 | 165.3 | -79.8 | -33.4 | 0 | 0 | 0 | 108.7 | ||||
| 763 | V | 31.2 | Very low | 29 | Very low | 118 Ų | 118 | 110.5 Ų | 110.5 | 72% | 0.715 | 67% | 0.673 | S | S | * | * | trans | -91.2 | 110.5 | 174.5 | 179.8 | 0 | 0 | 0 | 0 | 109 | G761 M765 | G761-V763 PolarHBondContact O-N 3.18Å; G761-V763 VanDerWaalsContact O-N 3.1Å; V763-M765 PolarHBondContact O-N 2.76Å | ||
| 764 | D | 29.8 | Very low | 28.9 | Very low | 84 Ų | 84 | 111.7 Ų | 111.7 | 45% | 0.449 | 67% | 0.67 | S | S | . | * | trans | -56.9 | 115.7 | 175.2 | -149.8 | -4.1 | 0 | 0 | 0 | 110.6 | R766 | D764-R766 PolarHBondContact O-N 3.45Å; D764-R766 VanDerWaalsContact OD1-CD 3.31Å; D764-R766 WeakPolarHBondContact OD1-CD 3.45Å; D764-R766 VanDerWaalsContact OD1-CG 3.28Å; D764-R766 WeakPolarHBondContact OD1-CG 3.48Å; D764-R766 IonicContact OD1-CZ 3.83Å; D764-R766 IonicContact OD1-NE 3.52Å; D764-R766 PolarHBondContact OD1-NE 3.16Å; D764-R766 IonicContact OD1-NH1 3.95Å; D764-R766 PolarHBondContact OD1-NH1 2.97Å; D764-R766 WeakPolarHBondContact OD2-CD 3.24Å; D764-R766 IonicContact OD2-CZ 3.44Å; D764-R766 IonicContact OD2-NE 3.32Å; D764-R766 IonicContact OD2-NH1 2.83Å; D764-R766 PolarHBondContact OD2-NH1 2.96Å | ||
| 765 | M | 28.5 | Very low | 28.8 | Very low | 146 Ų | 146 | 114.5 Ų | 114.5 | 72% | 0.719 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -65.4 | 8.9 | 174.9 | -75.3 | -75.9 | -75.9 | 0 | 0 | 113.5 | V763 S767 | V763-M765 PolarHBondContact O-N 2.76Å; M765-S767 VanDerWaalsContact C-N 3.33Å |
| 766 | R | 30.8 | Very low | 28.6 | Very low | 167 Ų | 167 | 117.6 Ų | 117.6 | 63% | 0.63 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -79.7 | -9.7 | 179.5 | -65.7 | -179.7 | -167 | 140.4 | -5 | 113.7 | D764 | D764-R766 PolarHBondContact O-N 3.45Å; D764-R766 VanDerWaalsContact OD1-CD 3.31Å; D764-R766 WeakPolarHBondContact OD1-CD 3.45Å; D764-R766 VanDerWaalsContact OD1-CG 3.28Å; D764-R766 WeakPolarHBondContact OD1-CG 3.48Å; D764-R766 IonicContact OD1-CZ 3.83Å; D764-R766 IonicContact OD1-NE 3.52Å; D764-R766 PolarHBondContact OD1-NE 3.16Å; D764-R766 IonicContact OD1-NH1 3.95Å; D764-R766 PolarHBondContact OD1-NH1 2.97Å; D764-R766 WeakPolarHBondContact OD2-CD 3.24Å; D764-R766 IonicContact OD2-CZ 3.44Å; D764-R766 IonicContact OD2-NE 3.32Å; D764-R766 IonicContact OD2-NH1 2.83Å; D764-R766 PolarHBondContact OD2-NH1 2.96Å |
| 767 | S | 30.9 | Very low | 28.3 | Very low | 85 Ų | 85 | 122.9 Ų | 122.9 | 59% | 0.594 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -83 | -16.8 | -175.9 | 63.1 | 0 | 0 | 0 | 0 | 115.1 | M765 | M765-S767 VanDerWaalsContact C-N 3.33Š|
| 768 | L | 32.3 | Very low | 28.2 | Very low | 156 Ų | 156 | 124.7 Ų | 124.7 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -90.2 | -9.7 | 177.1 | -92.8 | 110.9 | 0 | 0 | 0 | 114.8 | ||
| 769 | A | 30.7 | Very low | 28 | Very low | 78 Ų | 78 | 130.6 Ų | 130.6 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -88.4 | -5.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 770 | N | 26.8 | Very low | 27.9 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | -109.4 | 50.8 | -174.1 | -76.1 | -21 | 0 | 0 | 0 | 113.1 | ||||
| 771 | Q | 27 | Very low | 27.9 | Very low | 187 Ų | 187 | 129.6 Ų | 129.6 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | trans | -137.6 | 79.9 | 160.3 | -71.1 | -168.9 | 6.9 | 0 | 0 | 110 | ||||
| 772 | S | 25.2 | Very low | 27.8 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | -139.4 | 126.2 | 158.1 | 54.2 | 0 | 0 | 0 | 0 | 109.6 | S774 | S772-S774 PolarHBondContact O-N 3.02Š| ||
| 773 | P | 24.9 | Very low | 27.7 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | trans | -81.5 | 110.8 | 159.9 | 30.5 | -23.6 | 0 | 0 | 0 | 107.6 | ||||
| 774 | S | 23.8 | Very low | 27.4 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | trans | 50.4 | 112.5 | 144 | 63 | 0 | 0 | 0 | 0 | 118.7 | S772 | S772-S774 PolarHBondContact O-N 3.02Š| ||
| 775 | T | 26.8 | Very low | 27.4 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | 155.2 | 125.1 | 111.6 | 45.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 776 | S | 28.3 | Very low | 27.2 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 59.1 | 106 | 153.1 | 55 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 777 | F | 26.6 | Very low | 27 | Very low | 198 Ų | 198 | 135.6 Ų | 135.6 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | -47.9 | 165.8 | 145.9 | -79 | -76.6 | 0 | 0 | 0 | 112.9 | ||||
| 778 | P | 30.6 | Very low | 26.7 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | cis | -155.8 | 169 | 46.6 | 38.4 | -14.1 | 0 | 0 | 0 | 120.6 | ||||
| 779 | H | 24.1 | Very low | 26.3 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 42.7 | 120.8 | 148.1 | -78.2 | -73.8 | 0 | 0 | 0 | 121.2 | ||||
| 780 | M | 25.2 | Very low | 26 | Very low | 182 Ų | 182 | 134.1 Ų | 134.1 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | -175.2 | 114.1 | 122.2 | -103 | -165.5 | -178.8 | 0 | 0 | 114.8 | |||||
| 781 | S | 25.4 | Very low | 25.9 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 22.8 | 126.8 | 137.1 | 41.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 782 | I | 25.8 | Very low | 25.9 | Very low | 159 Ų | 159 | 131 Ų | 131 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | trans | -70.6 | 149.1 | 164.2 | -59.2 | 161.2 | 0 | 0 | 0 | 111.4 | ||||
| 783 | P | 27.2 | Very low | 25.9 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -120.1 | 125.8 | 151.3 | 25.7 | -8.4 | 0 | 0 | 0 | 113.4 | ||||
| 784 | Q | 24.6 | Very low | 26 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -79.5 | 135.3 | 161.6 | -71.2 | 175.7 | -30.6 | 0 | 0 | 110.2 | ||||
| 785 | S | 30.2 | Very low | 26 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -161.7 | 101.2 | 155 | 59.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 786 | H | 24.7 | Very low | 26 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | 59.9 | 118 | 90.1 | -86.7 | -54.7 | 0 | 0 | 0 | 116 | |||||
| 787 | V | 24.9 | Very low | 25.8 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | trans | 108 | 117 | 130.9 | 174.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 788 | T | 25.3 | Very low | 25.8 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | trans | 74.6 | 109.3 | 146.8 | 56.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 789 | G | 23.3 | Very low | 25.7 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | 74.9 | 119.3 | 107.2 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 790 | G | 24.6 | Very low | 25.9 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 133.5 | 97.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 791 | H | 25.4 | Very low | 26.2 | Very low | 204 Ų | 204 | 127.5 Ų | 127.5 | 94% | 0.944 | 75% | 0.746 | S | S | * | * | trans | 22.3 | 129 | 146.9 | -60.2 | -71.4 | 0 | 0 | 0 | 121.9 | ||||
| 792 | G | 26.5 | Very low | 26.3 | Very low | 61 Ų | 61 | 130.6 Ų | 130.6 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | trans | 149.3 | 131.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 793 | P | 26.2 | Very low | 26.5 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | trans | -82.5 | 138.2 | -160.7 | 34.1 | -34.7 | 0 | 0 | 0 | 113.6 | ||||
| 794 | F | 26 | Very low | 26.7 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | -108.5 | 76 | 168.7 | -89.2 | -76.9 | 0 | 0 | 0 | 111.4 | Q797 | F794-Q797 HydrophobicContact CD1-CG 3.97Å; F794-Q797 HydrophobicContact CE1-CG 4.19Å; F794-Q797 VanDerWaalsContact CE1-NE2 3.29Å | ||
| 795 | V | 24.9 | Very low | 27 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | trans | -72.6 | 127.8 | 149.1 | 176 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 796 | N | 25.7 | Very low | 27.4 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | trans | 74.6 | 83.7 | 178 | -53.4 | -34.7 | 0 | 0 | 0 | 117.2 | ||||
| 797 | Q | 24.1 | Very low | 28.5 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 54% | 0.537 | 74% | 0.741 | S | S | . | * | trans | -135.7 | 129.2 | 144.9 | -80.1 | -167.6 | -5.3 | 0 | 0 | 111 | F794 T801 | F794-Q797 HydrophobicContact CD1-CG 3.97Å; F794-Q797 HydrophobicContact CE1-CG 4.19Å; F794-Q797 VanDerWaalsContact CE1-NE2 3.29Å; Q797-T801 PolarHBondContact OE1-OG1 3.08Å | ||
| 798 | P | 26.1 | Very low | 29.8 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 57% | 0.571 | 74% | 0.74 | S | S | * | * | trans | -67.9 | 162.4 | 171.3 | 31.2 | -31.6 | 0 | 0 | 0 | 109.4 | Q800 | P798-Q800 HydrophobicContact CG-CB 4.3Å; P798-Q800 HydrophobicContact CG-CG 4.4Å; P798-Q800 PolarHBondContact O-N 3.33Å | ||
| 799 | L | 28.5 | Very low | 31 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 36.4 | 170.6 | -96.5 | 148.7 | 0 | 0 | 0 | 115 | ||
| 800 | Q | 30 | Very low | 32.3 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | 1.8 | -175.4 | -76.4 | -173.8 | -18.2 | 0 | 0 | 114.7 | P798 | P798-Q800 HydrophobicContact CG-CB 4.3Å; P798-Q800 HydrophobicContact CG-CG 4.4Å; P798-Q800 PolarHBondContact O-N 3.33Å |
| 801 | T | 30.7 | Very low | 34.1 | Very low | 88 Ų | 88 | 124.8 Ų | 124.8 | 54% | 0.54 | 67% | 0.669 | S | S | . | * | trans | -114.4 | 6.4 | -172.9 | 45.9 | 0 | 0 | 0 | 0 | 116.1 | Q797 S803 | Q797-T801 PolarHBondContact OE1-OG1 3.08Å; T801-S803 PolarHBondContact O-N 3.47Å | ||
| 802 | L | 28.4 | Very low | 36 | Very low | 169 Ų | 169 | 120.7 Ų | 120.7 | 89% | 0.885 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -91.4 | 94.4 | 165.6 | -94.1 | 146 | 0 | 0 | 0 | 110.3 | R804 | L802-R804 PolarHBondContact O-N 3.43Š|
| 803 | S | 28.9 | Very low | 38 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | trans | -59 | 116.9 | -175 | -55.4 | 0 | 0 | 0 | 0 | 114.5 | T801 E805 | T801-S803 PolarHBondContact O-N 3.47Å; S803-E805 VanDerWaalsContact C-N 3.33Å; S803-E805 PolarHBondContact O-N 2.85Å | ||
| 804 | R | 31.7 | Very low | 40.2 | Very low | 251 Ų | 251 | 119.5 Ų | 119.5 | 95% | 0.947 | 62% | 0.623 | S | S | * | * | S | Bend | trans | 55.4 | -0 | 131.4 | -111.4 | 177.7 | -178.8 | 179.5 | -0.3 | 122.8 | L802 | L802-R804 PolarHBondContact O-N 3.43Š|
| 805 | E | 31.8 | Very low | 42.6 | Very low | 176 Ų | 176 | 113 Ų | 113 | 82% | 0.822 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -126.9 | 105.6 | -177 | -63.9 | -178.3 | 177.8 | 0 | 0 | 111.5 | S803 | S803-E805 VanDerWaalsContact C-N 3.33Å; S803-E805 PolarHBondContact O-N 2.85Å |
| 806 | N | 38.3 | Very low | 44.7 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 60% | 0.599 | 59% | 0.588 | S | S | * | * | trans | 78 | 91.6 | 175.6 | -63.8 | -30.2 | 0 | 0 | 0 | 119.8 | L808 V809 | N806-L808 VanDerWaalsContact C-N 3.27Å; N806-L808 PolarHBondContact O-N 3Å; N806-V809 HydrophobicContact CB-CG2 4.02Å; N806-V809 PolarHBondContact O-N 3.19Å | ||
| 807 | P | 48 | Very low | 47.1 | Very low | 100 Ų | 100 | 111.6 Ų | 111.6 | 65% | 0.649 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.5 | -30.1 | 174.1 | 23 | -31.9 | 0 | 0 | 0 | 114.3 | V809 C810 D811 | P807-V809 VanDerWaalsContact C-N 3.31Å; P807-V809 PolarHBondContact O-N 3.3Å; P807-C810 PolarHBondContact O-N 3.44Å; P807-D811 PolarHBondContact O-N 3.25Å |
| 808 | L | 50.8 | Low | 49.7 | Very low | 129 Ų | 129 | 106.1 Ų | 106.1 | 68% | 0.675 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.7 | -31.1 | -179.2 | -69.7 | 169.2 | 0 | 0 | 0 | 114.1 | N806 L812 | N806-L808 VanDerWaalsContact C-N 3.27Å; N806-L808 PolarHBondContact O-N 3Å; L808-L812 WeakPolarHBondContact O-CD1 3.28Å; L808-L812 PolarHBondContact O-N 3.17Å; L808-L812 VanDerWaalsContact O-N 3.16Å |
| 809 | V | 51.4 | Low | 52.1 | Low | 73 Ų | 73 | 105.1 Ų | 105.1 | 44% | 0.442 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74.2 | -37.3 | -178.7 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | N806 P807 Q813 | N806-V809 HydrophobicContact CB-CG2 4.02Å; N806-V809 PolarHBondContact O-N 3.19Å; P807-V809 VanDerWaalsContact C-N 3.31Å; P807-V809 PolarHBondContact O-N 3.3Å; V809-Q813 WeakPolarHBondContact O-CG 3.3Å; V809-Q813 PolarHBondContact O-N 3.4Å |
| 810 | C | 50.5 | Low | 54.3 | Low | 47 Ų | 47 | 103.3 Ų | 103.3 | 32% | 0.318 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 175.8 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | P807 L812 Q813 V814 Y833 | P807-C810 PolarHBondContact O-N 3.44Å; C810-L812 PolarHBondContact O-N 3.16Å; C810-Q813 PolarHBondContact O-N 3.04Å; C810-V814 WeakPolarHBondContact O-CG2 3.39Å; C810-V814 PolarHBondContact O-N 3.46Å; C810-Y833 VanDerWaalsContact CB-OH 3.29Å; C810-Y833 WeakPolarHBondContact CB-OH 3.11Å |
| 811 | D | 62 | Low | 56.6 | Low | 32 Ų | 32 | 96 Ų | 96 | 17% | 0.171 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 177 | -65 | -23.7 | 0 | 0 | 0 | 111.3 | P807 Q813 V814 I815 S837 | P807-D811 PolarHBondContact O-N 3.25Å; D811-Q813 PolarHBondContact O-N 3.38Å; D811-V814 PolarHBondContact O-N 3.09Å; D811-I815 WeakPolarHBondContact O-CB 3.48Å; D811-I815 WeakPolarHBondContact O-CD1 3.24Å; D811-I815 WeakPolarHBondContact O-CG1 3.4Å; D811-I815 PolarHBondContact O-N 3.13Å; D811-S837 WeakPolarHBondContact OD1-CB 3.49Å |
| 812 | L | 66.4 | Low | 58.5 | Low | 118 Ų | 118 | 99.9 Ų | 99.9 | 62% | 0.618 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62 | -39.6 | 175.3 | -85.2 | 159.9 | 0 | 0 | 0 | 113.1 | L808 C810 R816 | L808-L812 WeakPolarHBondContact O-CD1 3.28Å; L808-L812 PolarHBondContact O-N 3.17Å; L808-L812 VanDerWaalsContact O-N 3.16Å; C810-L812 PolarHBondContact O-N 3.16Å; L812-R816 VanDerWaalsContact O-CB 3.28Å; L812-R816 WeakPolarHBondContact O-CB 3.49Å; L812-R816 PolarHBondContact O-N 2.73Å |
| 813 | Q | 68.2 | Low | 60.8 | Low | 128 Ų | 128 | 95 Ų | 95 | 60% | 0.598 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -68 | -40 | 177.1 | -76.1 | 179.5 | -6 | 0 | 0 | 111.9 | V809 C810 D811 R816 H817 | V809-Q813 WeakPolarHBondContact O-CG 3.3Å; V809-Q813 PolarHBondContact O-N 3.4Å; C810-Q813 PolarHBondContact O-N 3.04Å; D811-Q813 PolarHBondContact O-N 3.38Å; Q813-R816 PolarHBondContact O-N 3.12Å; Q813-H817 WeakPolarHBondContact O-CB 3.47Å; Q813-H817 PolarHBondContact O-N 3.46Å |
| 814 | V | 72.2 | Confident | 63 | Low | 30 Ų | 30 | 91.1 Ų | 91.1 | 18% | 0.182 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -71.8 | -37.7 | 177.5 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | C810 D811 H817 L818 Y833 L834 | C810-V814 WeakPolarHBondContact O-CG2 3.39Å; C810-V814 PolarHBondContact O-N 3.46Å; D811-V814 PolarHBondContact O-N 3.09Å; V814-H817 PolarHBondContact O-N 3.41Å; V814-L818 WeakPolarHBondContact O-CB 3.16Å; V814-L818 PolarHBondContact O-N 3.23Å; V814-Y833 HydrophobicContact CB-CD1 3.97Å; V814-Y833 HydrophobicContact CB-CE1 4.27Å; V814-Y833 HydrophobicContact CG1-CD1 3.82Å; V814-Y833 HydrophobicContact CG1-CG 4.31Å; V814-Y833 HydrophobicContact CG2-CD1 3.68Å; V814-Y833 HydrophobicContact CG2-CE1 3.77Å; V814-Y833 HydrophobicContact CG2-CG 4.2Å; V814-L834 HydrophobicContact CB-CD2 4.37Å; V814-L834 HydrophobicContact CG1-CD1 4.43Å; V814-L834 HydrophobicContact CG1-CD2 4.02Å; V814-L834 HydrophobicContact CG1-CG 3.95Å |
| 815 | I | 75.3 | Confident | 65 | Low | 30 Ų | 30 | 82.9 Ų | 82.9 | 15% | 0.154 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 171.4 | -69.9 | 164.7 | 0 | 0 | 0 | 110.3 | D811 H817 L818 L819 L834 M839 L847 | D811-I815 WeakPolarHBondContact O-CB 3.48Å; D811-I815 WeakPolarHBondContact O-CD1 3.24Å; D811-I815 WeakPolarHBondContact O-CG1 3.4Å; D811-I815 PolarHBondContact O-N 3.13Å; I815-H817 VanDerWaalsContact C-N 3.31Å; I815-H817 PolarHBondContact O-N 3.4Å; I815-L818 PolarHBondContact O-N 3.34Å; I815-L819 HydrophobicContact CG2-CD1 4.25Å; I815-L819 WeakPolarHBondContact O-CG 3Å; I815-L819 PolarHBondContact O-N 3.02Å; I815-L834 HydrophobicContact CG1-CD1 4.39Å; I815-L834 HydrophobicContact CG1-CD2 3.88Å; I815-M839 HydrophobicContact CD1-CE 4.41Å; I815-M839 HydrophobicContact CD1-SD 4.1Å; I815-L847 HydrophobicContact CD1-CD2 4.26Å; I815-L847 HydrophobicContact CG1-CD1 4.19Å; I815-L847 HydrophobicContact CG1-CD2 4.4Å; I815-L847 HydrophobicContact CG2-CD1 4.24Å; I815-L847 HydrophobicContact CG2-CD2 3.98Å |
| 816 | R | 69.7 | Low | 67.2 | Low | 143 Ų | 143 | 76.8 Ų | 76.8 | 54% | 0.54 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 176.3 | -176 | 176 | 178 | -174 | -1.5 | 111.3 | L812 Q813 L819 I820 | L812-R816 VanDerWaalsContact O-CB 3.28Å; L812-R816 WeakPolarHBondContact O-CB 3.49Å; L812-R816 PolarHBondContact O-N 2.73Å; Q813-R816 PolarHBondContact O-N 3.12Å; R816-L819 PolarHBondContact O-N 3.19Å; R816-I820 HydrophobicContact CG-CD1 3.66Å; R816-I820 WeakPolarHBondContact O-CB 3.36Å; R816-I820 VanDerWaalsContact O-CG1 3.26Å; R816-I820 WeakPolarHBondContact O-CG1 3.39Å; R816-I820 PolarHBondContact O-N 2.81Å; R816-I820 VanDerWaalsContact O-N 3.12Å |
| 817 | H | 75.7 | Confident | 69.1 | Low | 90 Ų | 90 | 71.4 Ų | 71.4 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64 | -44 | 175.1 | -174.6 | 72.7 | 0 | 0 | 0 | 111.7 | Q813 V814 I815 L819 I820 T821 D826 | Q813-H817 WeakPolarHBondContact O-CB 3.47Å; Q813-H817 PolarHBondContact O-N 3.46Å; V814-H817 PolarHBondContact O-N 3.41Å; I815-H817 VanDerWaalsContact C-N 3.31Å; I815-H817 PolarHBondContact O-N 3.4Å; H817-L819 VanDerWaalsContact C-N 3.3Å; H817-L819 PolarHBondContact O-N 3.24Å; H817-I820 PolarHBondContact O-N 2.88Å; H817-T821 VanDerWaalsContact O-CB 3.3Å; H817-T821 WeakPolarHBondContact O-CB 3.44Å; H817-T821 WeakPolarHBondContact O-CG2 3.46Å; H817-T821 PolarHBondContact O-N 3.41Å; H817-D826 IonicContact NE2-OD2 3.92Å |
| 818 | L | 78.3 | Confident | 70.6 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.8 | -37.7 | 177 | -179.9 | 67.8 | 0 | 0 | 0 | 112.3 | V814 I815 T821 I827 V831 L834 I844 L847 W851 K900 | V814-L818 WeakPolarHBondContact O-CB 3.16Å; V814-L818 PolarHBondContact O-N 3.23Å; I815-L818 PolarHBondContact O-N 3.34Å; L818-T821 WeakPolarHBondContact O-CG2 3.42Å; L818-I827 HydrophobicContact CD1-CB 4.47Å; L818-I827 HydrophobicContact CD1-CG1 4.32Å; L818-I827 HydrophobicContact CD1-CG2 4.15Å; L818-V831 HydrophobicContact CD1-CG2 4.44Å; L818-L834 HydrophobicContact CD2-CD1 3.76Å; L818-I844 HydrophobicContact CD2-CG2 4.27Å; L818-L847 HydrophobicContact CD2-CD1 4.03Å; L818-W851 HydrophobicContact CD2-CH2 4.32Å; L818-W851 HydrophobicContact CG-CH2 4.33Å; L818-K900 WeakPolarHBondContact O-CE 3.24Å; L818-K900 PolarHBondContact O-NZ 3.45Å |
| 819 | L | 76.8 | Confident | 71.8 | Confident | 67 Ų | 67 | 68.7 Ų | 68.7 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -72.1 | -39.3 | 177.5 | -68.5 | 173 | 0 | 0 | 0 | 112.3 | I815 R816 H817 N848 W851 | I815-L819 HydrophobicContact CG2-CD1 4.25Å; I815-L819 WeakPolarHBondContact O-CG 3Å; I815-L819 PolarHBondContact O-N 3.02Å; R816-L819 PolarHBondContact O-N 3.19Å; H817-L819 VanDerWaalsContact C-N 3.3Å; H817-L819 PolarHBondContact O-N 3.24Å; L819-N848 HydrophobicContact CD2-CB 4.17Å; L819-W851 HydrophobicContact CD2-CH2 4.16Å; L819-W851 HydrophobicContact CD2-CZ2 4.23Å |
| 820 | I | 76.2 | Confident | 73.1 | Confident | 116 Ų | 116 | 65.4 Ų | 65.4 | 60% | 0.595 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -84.4 | -29.6 | -174.5 | -63.9 | 170.9 | 0 | 0 | 0 | 112.7 | R816 H817 R822 | R816-I820 HydrophobicContact CG-CD1 3.66Å; R816-I820 WeakPolarHBondContact O-CB 3.36Å; R816-I820 VanDerWaalsContact O-CG1 3.26Å; R816-I820 WeakPolarHBondContact O-CG1 3.39Å; R816-I820 PolarHBondContact O-N 2.81Å; R816-I820 VanDerWaalsContact O-N 3.12Å; H817-I820 PolarHBondContact O-N 2.88Å; I820-R822 PolarHBondContact O-N 3.25Å |
| 821 | T | 78.2 | Confident | 74.4 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | trans | -62.5 | 127.9 | -172.7 | 173.9 | 0 | 0 | 0 | 0 | 113.1 | H817 L818 N823 D826 I827 K900 | H817-T821 VanDerWaalsContact O-CB 3.3Å; H817-T821 WeakPolarHBondContact O-CB 3.44Å; H817-T821 WeakPolarHBondContact O-CG2 3.46Å; H817-T821 PolarHBondContact O-N 3.41Å; L818-T821 WeakPolarHBondContact O-CG2 3.42Å; T821-N823 PolarHBondContact OG1-N 3.02Å; T821-N823 VanDerWaalsContact OG1-N 3.13Å; T821-N823 PolarHBondContact OG1-O 3.03Å; T821-D826 HydrophobicContact CG2-CB 4.31Å; T821-D826 WeakPolarHBondContact OG1-CB 3.36Å; T821-D826 PolarHBondContact OG1-OD2 3.41Å; T821-I827 HydrophobicContact CG2-CG1 4.1Å; T821-K900 PolarHBondContact O-NZ 2.98Å | ||
| 822 | R | 70.7 | Confident | 75.2 | Confident | 170 Ų | 170 | 63.6 Ų | 63.6 | 64% | 0.642 | 31% | 0.311 | S | S | * | . | trans | -98 | 3.4 | 171 | -75.1 | -173.2 | 164.6 | -178.3 | -7 | 113.1 | I820 E908 F918 | I820-R822 PolarHBondContact O-N 3.25Å; R822-E908 IonicContact CZ-OE1 3.6Å; R822-E908 IonicContact NH2-OE1 3.79Å; R822-E908 PolarHBondContact NH2-OE1 2.88Å; R822-E908 IonicContact NH2-OE2 3.41Å; R822-F918 WeakPolarHBondContact O-CZ 3.4Å | ||
| 823 | N | 76.2 | Confident | 75.8 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 35% | 0.353 | 30% | 0.295 | S | S | . | . | trans | -104.4 | 123.8 | -178.6 | -176.9 | 1.1 | 0 | 0 | 0 | 111 | T821 T825 D826 | T821-N823 PolarHBondContact OG1-N 3.02Å; T821-N823 VanDerWaalsContact OG1-N 3.13Å; T821-N823 PolarHBondContact OG1-O 3.03Å; N823-T825 PolarHBondContact ND2-OG1 3.43Å; N823-T825 PolarHBondContact O-N 3.19Å; N823-T825 PolarHBondContact OD1-N 3.11Å; N823-T825 PolarHBondContact OD1-OG1 2.64Å; N823-D826 WeakPolarHBondContact CB-OD2 3.27Å; N823-D826 PolarHBondContact ND2-OD1 3.38Å; N823-D826 PolarHBondContact O-N 3.39Å | ||
| 824 | P | 73.9 | Confident | 76.3 | Confident | 23 Ų | 23 | 55.5 Ų | 55.5 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.8 | -24.7 | -179.6 | 22.7 | -33.9 | 0 | 0 | 0 | 114.6 | Q897 F918 A921 | P824-Q897 PolarHBondContact O-NE2 3.16Å; P824-F918 HydrophobicContact CB-CD1 4.01Å; P824-F918 HydrophobicContact CB-CE1 4.24Å; P824-A921 HydrophobicContact CB-CB 3.4Å; P824-A921 HydrophobicContact CG-CB 3.96Å |
| 825 | T | 75.5 | Confident | 76.4 | Confident | 78 Ų | 78 | 56.1 Ų | 56.1 | 48% | 0.479 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.4 | -34.4 | 178.6 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | N823 I827 N828 M829 | N823-T825 PolarHBondContact ND2-OG1 3.43Å; N823-T825 PolarHBondContact O-N 3.19Å; N823-T825 PolarHBondContact OD1-N 3.11Å; N823-T825 PolarHBondContact OD1-OG1 2.64Å; T825-I827 VanDerWaalsContact C-N 3.28Å; T825-I827 PolarHBondContact O-N 3.01Å; T825-N828 WeakPolarHBondContact O-CB 3.44Å; T825-N828 PolarHBondContact O-N 3Å; T825-M829 PolarHBondContact O-N 3.41Å |
| 826 | D | 77.1 | Confident | 76.5 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -73.7 | -26.6 | -176.1 | -59.7 | -10.4 | 0 | 0 | 0 | 111.2 | H817 T821 N823 M829 S830 | H817-D826 IonicContact NE2-OD2 3.92Å; T821-D826 HydrophobicContact CG2-CB 4.31Å; T821-D826 WeakPolarHBondContact OG1-CB 3.36Å; T821-D826 PolarHBondContact OG1-OD2 3.41Å; N823-D826 WeakPolarHBondContact CB-OD2 3.27Å; N823-D826 PolarHBondContact ND2-OD1 3.38Å; N823-D826 PolarHBondContact O-N 3.39Å; D826-M829 PolarHBondContact O-N 3.28Å; D826-S830 VanDerWaalsContact O-CB 3.3Å; D826-S830 WeakPolarHBondContact O-CB 3.46Å; D826-S830 PolarHBondContact O-N 2.89Å; D826-S830 PolarHBondContact O-OG 3.32Å |
| 827 | I | 79 | Confident | 76.4 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 170.8 | -62.4 | -178.8 | 0 | 0 | 0 | 110.1 | L818 T821 T825 M829 S830 V831 I896 Q897 K900 F918 | L818-I827 HydrophobicContact CD1-CB 4.47Å; L818-I827 HydrophobicContact CD1-CG1 4.32Å; L818-I827 HydrophobicContact CD1-CG2 4.15Å; T821-I827 HydrophobicContact CG2-CG1 4.1Å; T825-I827 VanDerWaalsContact C-N 3.28Å; T825-I827 PolarHBondContact O-N 3.01Å; I827-M829 VanDerWaalsContact C-N 3.3Å; I827-M829 PolarHBondContact O-N 2.92Å; I827-S830 PolarHBondContact O-N 3.09Å; I827-V831 HydrophobicContact CG2-CG2 3.95Å; I827-V831 WeakPolarHBondContact O-CB 3.37Å; I827-V831 WeakPolarHBondContact O-CG2 3.45Å; I827-V831 PolarHBondContact O-N 3.28Å; I827-I896 HydrophobicContact CD1-CG2 4.31Å; I827-I896 HydrophobicContact CG2-CB 4.4Å; I827-I896 HydrophobicContact CG2-CG2 3.91Å; I827-Q897 HydrophobicContact CD1-CG 4.18Å; I827-Q897 HydrophobicContact CG2-CG 4.5Å; I827-K900 HydrophobicContact CD1-CD 3.76Å; I827-F918 HydrophobicContact CD1-CD1 3.8Å; I827-F918 HydrophobicContact CD1-CE1 3.25Å; I827-F918 HydrophobicContact CD1-CZ 4.09Å; I827-F918 HydrophobicContact CG1-CE1 4.26Å |
| 828 | N | 77.6 | Confident | 76.1 | Confident | 49 Ų | 49 | 58 Ų | 58 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 179.5 | -65.5 | -0.3 | 0 | 0 | 0 | 111.1 | T825 D832 T893 Q897 | T825-N828 WeakPolarHBondContact O-CB 3.44Å; T825-N828 PolarHBondContact O-N 3Å; N828-D832 WeakPolarHBondContact O-CB 3.34Å; N828-D832 PolarHBondContact O-N 2.9Å; N828-T893 WeakPolarHBondContact OD1-CG2 3.24Å; N828-Q897 PolarHBondContact OD1-NE2 3.33Å |
| 829 | M | 77.8 | Confident | 75.6 | Confident | 122 Ų | 122 | 60.4 Ų | 60.4 | 60% | 0.601 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.9 | -42.2 | 179.5 | -66.4 | -61.8 | -63.8 | 0 | 0 | 112.1 | T825 D826 I827 Y833 | T825-M829 PolarHBondContact O-N 3.41Å; D826-M829 PolarHBondContact O-N 3.28Å; I827-M829 VanDerWaalsContact C-N 3.3Å; I827-M829 PolarHBondContact O-N 2.92Å; M829-Y833 WeakPolarHBondContact O-CB 3.3Å; M829-Y833 PolarHBondContact O-N 3.32Å |
| 830 | S | 78.4 | Confident | 75.5 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 4% | 0.035 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.1 | -42 | 179.7 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | D826 I827 Y833 L834 | D826-S830 VanDerWaalsContact O-CB 3.3Å; D826-S830 WeakPolarHBondContact O-CB 3.46Å; D826-S830 PolarHBondContact O-N 2.89Å; D826-S830 PolarHBondContact O-OG 3.32Å; I827-S830 PolarHBondContact O-N 3.09Å; S830-Y833 PolarHBondContact O-N 3.49Å; S830-L834 WeakPolarHBondContact O-CB 3.32Å; S830-L834 VanDerWaalsContact O-CG 3.25Å; S830-L834 WeakPolarHBondContact O-CG 3.41Å; S830-L834 PolarHBondContact O-N 2.99Å |
| 831 | V | 77.1 | Confident | 75.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 177.5 | 173.3 | 0 | 0 | 0 | 0 | 111 | L818 I827 Y833 L834 L835 I892 I896 | L818-V831 HydrophobicContact CD1-CG2 4.44Å; I827-V831 HydrophobicContact CG2-CG2 3.95Å; I827-V831 WeakPolarHBondContact O-CB 3.37Å; I827-V831 WeakPolarHBondContact O-CG2 3.45Å; I827-V831 PolarHBondContact O-N 3.28Å; V831-Y833 VanDerWaalsContact C-N 3.32Å; V831-Y833 PolarHBondContact O-N 2.95Å; V831-L834 PolarHBondContact O-N 3.44Å; V831-L835 HydrophobicContact CG1-CD1 3.74Å; V831-L835 HydrophobicContact CG1-CG 4.27Å; V831-L835 WeakPolarHBondContact O-CB 3.29Å; V831-L835 VanDerWaalsContact O-CG 3.26Å; V831-L835 WeakPolarHBondContact O-CG 3.38Å; V831-L835 PolarHBondContact O-N 3.18Å; V831-I892 HydrophobicContact CG1-CB 4.35Å; V831-I892 HydrophobicContact CG1-CG2 3.97Å; V831-I896 HydrophobicContact CG2-CD1 3.68Å |
| 832 | D | 78.9 | Confident | 74.7 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 22% | 0.219 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 174.1 | -177.2 | 41.2 | 0 | 0 | 0 | 111.2 | N828 R836 M889 | N828-D832 WeakPolarHBondContact O-CB 3.34Å; N828-D832 PolarHBondContact O-N 2.9Å; D832-R836 WeakPolarHBondContact O-CB 3.33Å; D832-R836 WeakPolarHBondContact O-CG 3.31Å; D832-R836 PolarHBondContact O-N 3.48Å; D832-R836 VanDerWaalsContact O-N 3.09Å; D832-R836 IonicContact OD1-CZ 3.4Å; D832-R836 IonicContact OD1-NE 2.86Å; D832-R836 PolarHBondContact OD1-NE 3.38Å; D832-R836 IonicContact OD1-NH2 3.14Å; D832-R836 PolarHBondContact OD1-NH2 2.87Å; D832-R836 VanDerWaalsContact OD1-NH2 3.14Å; D832-R836 IonicContact OD2-CZ 3.17Å; D832-R836 IonicContact OD2-NE 3.28Å; D832-R836 PolarHBondContact OD2-NE 2.96Å; D832-R836 IonicContact OD2-NH2 2.79Å; D832-R836 PolarHBondContact OD2-NH2 2.92Å; D832-M889 HydrophobicContact CB-SD 4.15Å |
| 833 | Y | 79.6 | Confident | 74.7 | Confident | 76 Ų | 76 | 52.5 Ų | 52.5 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.8 | -50 | 175.4 | -173.8 | -86.9 | 0 | 0 | 0 | 112.5 | C810 V814 M829 S830 V831 L835 R836 S837 | C810-Y833 VanDerWaalsContact CB-OH 3.29Å; C810-Y833 WeakPolarHBondContact CB-OH 3.11Å; V814-Y833 HydrophobicContact CB-CD1 3.97Å; V814-Y833 HydrophobicContact CB-CE1 4.27Å; V814-Y833 HydrophobicContact CG1-CD1 3.82Å; V814-Y833 HydrophobicContact CG1-CG 4.31Å; V814-Y833 HydrophobicContact CG2-CD1 3.68Å; V814-Y833 HydrophobicContact CG2-CE1 3.77Å; V814-Y833 HydrophobicContact CG2-CG 4.2Å; M829-Y833 WeakPolarHBondContact O-CB 3.3Å; M829-Y833 PolarHBondContact O-N 3.32Å; S830-Y833 PolarHBondContact O-N 3.49Å; V831-Y833 VanDerWaalsContact C-N 3.32Å; V831-Y833 PolarHBondContact O-N 2.95Å; Y833-L835 VanDerWaalsContact C-N 3.35Å; Y833-L835 PolarHBondContact O-N 3.09Å; Y833-R836 CarbonylContact O-C 3.44Å; Y833-R836 PolarHBondContact O-N 3.37Å; Y833-R836 VanDerWaalsContact O-N 3.12Å; Y833-S837 PolarHBondContact O-N 3.33Å |
| 834 | L | 77.2 | Confident | 74.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.3 | -37.4 | -177.4 | -67.3 | 171.5 | 0 | 0 | 0 | 112 | V814 I815 L818 S830 V831 R836 S837 G838 M839 I844 L847 | V814-L834 HydrophobicContact CB-CD2 4.37Å; V814-L834 HydrophobicContact CG1-CD1 4.43Å; V814-L834 HydrophobicContact CG1-CD2 4.02Å; V814-L834 HydrophobicContact CG1-CG 3.95Å; I815-L834 HydrophobicContact CG1-CD1 4.39Å; I815-L834 HydrophobicContact CG1-CD2 3.88Å; L818-L834 HydrophobicContact CD2-CD1 3.76Å; S830-L834 WeakPolarHBondContact O-CB 3.32Å; S830-L834 VanDerWaalsContact O-CG 3.25Å; S830-L834 WeakPolarHBondContact O-CG 3.41Å; S830-L834 PolarHBondContact O-N 2.99Å; V831-L834 PolarHBondContact O-N 3.44Å; L834-R836 VanDerWaalsContact C-N 3.34Å; L834-R836 PolarHBondContact O-N 2.93Å; L834-S837 WeakPolarHBondContact CA-OG 3.27Å; L834-S837 PolarHBondContact O-N 2.98Å; L834-S837 PolarHBondContact O-OG 3.35Å; L834-G838 PolarHBondContact O-N 3.46Å; L834-M839 HydrophobicContact CB-SD 4.4Å; L834-M839 HydrophobicContact CD2-SD 3.75Å; L834-M839 HydrophobicContact CG-SD 4.48Å; L834-M839 PolarHBondContact O-N 3.34Å; L834-I844 HydrophobicContact CB-CD1 4.03Å; L834-I844 HydrophobicContact CB-CG1 4.44Å; L834-L847 HydrophobicContact CD1-CD1 4.46Å |
| 835 | L | 75.5 | Confident | 74.4 | Confident | 43 Ų | 43 | 48.4 Ų | 48.4 | 23% | 0.225 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 173.4 | -71.5 | 171.4 | 0 | 0 | 0 | 112.2 | V831 Y833 G838 P841 I844 M889 I892 | V831-L835 HydrophobicContact CG1-CD1 3.74Å; V831-L835 HydrophobicContact CG1-CG 4.27Å; V831-L835 WeakPolarHBondContact O-CB 3.29Å; V831-L835 VanDerWaalsContact O-CG 3.26Å; V831-L835 WeakPolarHBondContact O-CG 3.38Å; V831-L835 PolarHBondContact O-N 3.18Å; Y833-L835 VanDerWaalsContact C-N 3.35Å; Y833-L835 PolarHBondContact O-N 3.09Å; L835-G838 PolarHBondContact O-N 2.99Å; L835-P841 HydrophobicContact CD2-CG 4.41Å; L835-I844 HydrophobicContact CD2-CD1 3.75Å; L835-I844 HydrophobicContact CG-CD1 3.94Å; L835-M889 HydrophobicContact CD1-CB 3.83Å; L835-M889 HydrophobicContact CD1-CG 4.01Å; L835-I892 HydrophobicContact CD1-CD1 4.13Å; L835-I892 HydrophobicContact CD2-CD1 3.8Å; L835-I892 HydrophobicContact CG-CD1 4.46Å |
| 836 | R | 76.1 | Confident | 74.3 | Confident | 192 Ų | 192 | 51.5 Ų | 51.5 | 73% | 0.725 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -71.5 | -28.3 | 174.1 | -71.6 | 174.7 | -168.1 | -157.8 | 7.8 | 113.2 | D832 Y833 L834 G838 | D832-R836 WeakPolarHBondContact O-CB 3.33Å; D832-R836 WeakPolarHBondContact O-CG 3.31Å; D832-R836 PolarHBondContact O-N 3.48Å; D832-R836 VanDerWaalsContact O-N 3.09Å; D832-R836 IonicContact OD1-CZ 3.4Å; D832-R836 IonicContact OD1-NE 2.86Å; D832-R836 PolarHBondContact OD1-NE 3.38Å; D832-R836 IonicContact OD1-NH2 3.14Å; D832-R836 PolarHBondContact OD1-NH2 2.87Å; D832-R836 VanDerWaalsContact OD1-NH2 3.14Å; D832-R836 IonicContact OD2-CZ 3.17Å; D832-R836 IonicContact OD2-NE 3.28Å; D832-R836 PolarHBondContact OD2-NE 2.96Å; D832-R836 IonicContact OD2-NH2 2.79Å; D832-R836 PolarHBondContact OD2-NH2 2.92Å; Y833-R836 CarbonylContact O-C 3.44Å; Y833-R836 PolarHBondContact O-N 3.37Å; Y833-R836 VanDerWaalsContact O-N 3.12Å; L834-R836 VanDerWaalsContact C-N 3.34Å; L834-R836 PolarHBondContact O-N 2.93Å; R836-G838 VanDerWaalsContact C-N 3.26Å; R836-G838 PolarHBondContact O-N 3.46Å |
| 837 | S | 69.1 | Low | 74.1 | Confident | 49 Ų | 49 | 51.2 Ų | 51.2 | 34% | 0.343 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -73.9 | -13.9 | 176.1 | 73.6 | 0 | 0 | 0 | 0 | 113.7 | D811 Y833 L834 | D811-S837 WeakPolarHBondContact OD1-CB 3.49Å; Y833-S837 PolarHBondContact O-N 3.33Å; L834-S837 WeakPolarHBondContact CA-OG 3.27Å; L834-S837 PolarHBondContact O-N 2.98Å; L834-S837 PolarHBondContact O-OG 3.35Å |
| 838 | G | 68.2 | Low | 73.6 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 64% | 0.639 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.2 | 9.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L834 L835 R836 | L834-G838 PolarHBondContact O-N 3.46Å; L835-G838 PolarHBondContact O-N 2.99Å; R836-G838 VanDerWaalsContact C-N 3.26Å; R836-G838 PolarHBondContact O-N 3.46Å |
| 839 | M | 68.3 | Low | 73.1 | Confident | 50 Ų | 50 | 54 Ų | 54 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | trans | -69.3 | 138.4 | 172.5 | -71.5 | -171.5 | 73.7 | 0 | 0 | 111.6 | I815 L834 I844 L847 | I815-M839 HydrophobicContact CD1-CE 4.41Å; I815-M839 HydrophobicContact CD1-SD 4.1Å; L834-M839 HydrophobicContact CB-SD 4.4Å; L834-M839 HydrophobicContact CD2-SD 3.75Å; L834-M839 HydrophobicContact CG-SD 4.48Å; L834-M839 PolarHBondContact O-N 3.34Å; M839-I844 HydrophobicContact CB-CD1 4.47Å; M839-I844 HydrophobicContact CB-CG1 4.1Å; M839-L847 HydrophobicContact CE-CD1 4.37Å; M839-L847 HydrophobicContact CE-CD2 4.11Å; M839-L847 HydrophobicContact CE-CG 4.41Å | ||
| 840 | T | 75 | Confident | 72.7 | Confident | 81 Ų | 81 | 49.5 Ų | 49.5 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | trans | -71.1 | 147.7 | 177.4 | 57.9 | 0 | 0 | 0 | 0 | 111 | T842 G843 I844 | T840-T842 PolarHBondContact O-N 3.34Å; T840-T842 PolarHBondContact OG1-OG1 3.17Å; T840-G843 WeakPolarHBondContact O-CA 2.98Å; T840-G843 PolarHBondContact O-N 2.75Å; T840-G843 PolarHBondContact OG1-N 3.25Å; T840-G843 VanDerWaalsContact OG1-N 3.13Å; T840-I844 PolarHBondContact O-N 3.46Å | ||
| 841 | P | 68.1 | Low | 72.6 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 20% | 0.201 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -49.2 | -40.9 | 173.2 | -34.8 | 40.5 | 0 | 0 | 0 | 114.7 | L835 I844 L845 L882 I888 I892 | L835-P841 HydrophobicContact CD2-CG 4.41Å; P841-I844 PolarHBondContact O-N 2.78Å; P841-L845 PolarHBondContact O-N 2.95Å; P841-L882 HydrophobicContact CB-CD2 3.9Å; P841-I888 HydrophobicContact CB-CG2 4.19Å; P841-I888 HydrophobicContact CG-CG2 3.45Å; P841-I888 VanDerWaalsContact CG-CG2 3.45Å; P841-I892 HydrophobicContact CB-CD1 3.47Å; P841-I892 VanDerWaalsContact CB-CD1 3.47Å; P841-I892 HydrophobicContact CB-CG1 4.05Å; P841-I892 HydrophobicContact CG-CD1 3.8Å |
| 842 | T | 69.6 | Low | 72.3 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 43% | 0.429 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69 | -41.6 | 176.7 | 52 | 0 | 0 | 0 | 0 | 111.2 | T840 I844 L845 E846 L882 | T840-T842 PolarHBondContact O-N 3.34Å; T840-T842 PolarHBondContact OG1-OG1 3.17Å; T842-I844 VanDerWaalsContact C-N 3.27Å; T842-I844 PolarHBondContact O-N 2.98Å; T842-L845 PolarHBondContact O-N 2.85Å; T842-L845 VanDerWaalsContact O-N 3.15Å; T842-E846 WeakPolarHBondContact O-CG 3.42Å; T842-E846 PolarHBondContact O-N 3.32Å; T842-L882 HydrophobicContact CG2-CD1 4.26Å |
| 843 | G | 69.9 | Low | 71.8 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 17% | 0.165 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.4 | -28.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T840 | T840-G843 WeakPolarHBondContact O-CA 2.98Å; T840-G843 PolarHBondContact O-N 2.75Å; T840-G843 PolarHBondContact OG1-N 3.25Å; T840-G843 VanDerWaalsContact OG1-N 3.13Å |
| 844 | I | 74.8 | Confident | 71.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73 | -39.5 | 173.9 | -60.1 | 171.4 | 0 | 0 | 0 | 111.1 | L818 L834 L835 M839 T840 P841 T842 E846 L847 I892 I896 | L818-I844 HydrophobicContact CD2-CG2 4.27Å; L834-I844 HydrophobicContact CB-CD1 4.03Å; L834-I844 HydrophobicContact CB-CG1 4.44Å; L835-I844 HydrophobicContact CD2-CD1 3.75Å; L835-I844 HydrophobicContact CG-CD1 3.94Å; M839-I844 HydrophobicContact CB-CD1 4.47Å; M839-I844 HydrophobicContact CB-CG1 4.1Å; T840-I844 PolarHBondContact O-N 3.46Å; P841-I844 PolarHBondContact O-N 2.78Å; T842-I844 VanDerWaalsContact C-N 3.27Å; T842-I844 PolarHBondContact O-N 2.98Å; I844-E846 VanDerWaalsContact C-N 3.33Å; I844-L847 HydrophobicContact CG2-CD1 4.33Å; I844-L847 WeakPolarHBondContact O-CB 3.4Å; I844-L847 WeakPolarHBondContact O-CG 3.42Å; I844-L847 PolarHBondContact O-N 2.82Å; I844-I892 HydrophobicContact CG2-CG2 4.32Å; I844-I896 HydrophobicContact CG2-CD1 3.65Å |
| 845 | L | 70.3 | Confident | 71.1 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71 | -28.9 | 178.2 | -72.2 | 169.6 | 0 | 0 | 0 | 112.6 | P841 T842 L847 L855 L882 L895 I896 | P841-L845 PolarHBondContact O-N 2.95Å; T842-L845 PolarHBondContact O-N 2.85Å; T842-L845 VanDerWaalsContact O-N 3.15Å; L845-L847 VanDerWaalsContact C-N 3.29Å; L845-L847 PolarHBondContact O-N 3.07Å; L845-L855 HydrophobicContact CD2-CD1 4.3Å; L845-L882 HydrophobicContact CD1-CD1 4.34Å; L845-L882 HydrophobicContact CD1-CD2 4.34Å; L845-L895 HydrophobicContact CD1-CD1 4.4Å; L845-L895 HydrophobicContact CD2-CB 4.27Å; L845-I896 HydrophobicContact CD2-CG1 3.91Å |
| 846 | E | 73.5 | Confident | 71 | Confident | 143 Ų | 143 | 53.1 Ų | 53.1 | 67% | 0.668 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -4.8 | 176.8 | -72.4 | 174.1 | -175.2 | 0 | 0 | 113.9 | T842 I844 N848 | T842-E846 WeakPolarHBondContact O-CG 3.42Å; T842-E846 PolarHBondContact O-N 3.32Å; I844-E846 VanDerWaalsContact C-N 3.33Å; E846-N848 PolarHBondContact O-N 3.24Å |
| 847 | L | 71.3 | Confident | 70.7 | Confident | 42 Ų | 42 | 46.4 Ų | 46.4 | 22% | 0.22 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.3 | 176 | -74 | 174.1 | 0 | 0 | 0 | 113.2 | I815 L818 L834 M839 I844 L845 W851 | I815-L847 HydrophobicContact CD1-CD2 4.26Å; I815-L847 HydrophobicContact CG1-CD1 4.19Å; I815-L847 HydrophobicContact CG1-CD2 4.4Å; I815-L847 HydrophobicContact CG2-CD1 4.24Å; I815-L847 HydrophobicContact CG2-CD2 3.98Å; L818-L847 HydrophobicContact CD2-CD1 4.03Å; L834-L847 HydrophobicContact CD1-CD1 4.46Å; M839-L847 HydrophobicContact CE-CD1 4.37Å; M839-L847 HydrophobicContact CE-CD2 4.11Å; M839-L847 HydrophobicContact CE-CG 4.41Å; I844-L847 HydrophobicContact CG2-CD1 4.33Å; I844-L847 WeakPolarHBondContact O-CB 3.4Å; I844-L847 WeakPolarHBondContact O-CG 3.42Å; I844-L847 PolarHBondContact O-N 2.82Å; L845-L847 VanDerWaalsContact C-N 3.29Å; L845-L847 PolarHBondContact O-N 3.07Å; L847-W851 HydrophobicContact CB-CZ3 4.37Å |
| 848 | N | 70.1 | Confident | 70.8 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -131 | 121.2 | 176.4 | -172.5 | -7.6 | 0 | 0 | 0 | 110.6 | L819 E846 S850 W851 | L819-N848 HydrophobicContact CD2-CB 4.17Å; E846-N848 PolarHBondContact O-N 3.24Å; N848-S850 PolarHBondContact ND2-OG 3.45Å; N848-S850 PolarHBondContact O-N 3.39Å; N848-S850 VanDerWaalsContact O-N 3.08Å; N848-S850 PolarHBondContact OD1-N 3Å; N848-S850 PolarHBondContact OD1-OG 3.37Å; N848-W851 HydrophobicContact CB-CD2 3.6Å; N848-W851 HydrophobicContact CB-CE3 3.95Å; N848-W851 HydrophobicContact CB-CG 3.93Å; N848-W851 HydrophobicContact CB-CH2 4.3Å; N848-W851 HydrophobicContact CB-CZ2 3.98Å; N848-W851 HydrophobicContact CB-CZ3 4.29Å; N848-W851 PolarHBondContact ND2-NE1 3.21Å; N848-W851 VanDerWaalsContact ND2-NE1 3.19Å; N848-W851 PolarHBondContact O-N 2.96Å |
| 849 | G | 66.9 | Low | 70.6 | Confident | 55 Ų | 55 | 43 Ų | 43 | 57% | 0.567 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -17 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P853 | G849-P853 WeakPolarHBondContact O-CD 3.42Å; G849-P853 VanDerWaalsContact O-CG 3.29Å; G849-P853 WeakPolarHBondContact O-CG 3.19Å |
| 850 | S | 68.5 | Low | 70.5 | Confident | 28 Ų | 28 | 44.7 Ų | 44.7 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -19.6 | 179 | 72.3 | 0 | 0 | 0 | 0 | 114.6 | N848 S854 | N848-S850 PolarHBondContact ND2-OG 3.45Å; N848-S850 PolarHBondContact O-N 3.39Å; N848-S850 VanDerWaalsContact O-N 3.08Å; N848-S850 PolarHBondContact OD1-N 3Å; N848-S850 PolarHBondContact OD1-OG 3.37Å; S850-S854 WeakPolarHBondContact O-CB 2.99Å; S850-S854 PolarHBondContact O-N 3.31Å; S850-S854 PolarHBondContact O-OG 3.36Å |
| 851 | W | 76.4 | Confident | 70.1 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73 | -44.8 | -172.7 | -69 | -9.9 | 0 | 0 | 0 | 112.8 | L818 L819 L847 N848 S854 L855 I896 A899 K900 | L818-W851 HydrophobicContact CD2-CH2 4.32Å; L818-W851 HydrophobicContact CG-CH2 4.33Å; L819-W851 HydrophobicContact CD2-CH2 4.16Å; L819-W851 HydrophobicContact CD2-CZ2 4.23Å; L847-W851 HydrophobicContact CB-CZ3 4.37Å; N848-W851 HydrophobicContact CB-CD2 3.6Å; N848-W851 HydrophobicContact CB-CE3 3.95Å; N848-W851 HydrophobicContact CB-CG 3.93Å; N848-W851 HydrophobicContact CB-CH2 4.3Å; N848-W851 HydrophobicContact CB-CZ2 3.98Å; N848-W851 HydrophobicContact CB-CZ3 4.29Å; N848-W851 PolarHBondContact ND2-NE1 3.21Å; N848-W851 VanDerWaalsContact ND2-NE1 3.19Å; N848-W851 PolarHBondContact O-N 2.96Å; W851-S854 PolarHBondContact O-N 3.13Å; W851-L855 WeakPolarHBondContact O-CG 3.45Å; W851-L855 PolarHBondContact O-N 2.64Å; W851-I896 HydrophobicContact CH2-CG2 4.27Å; W851-I896 HydrophobicContact CZ2-CG2 4.49Å; W851-I896 HydrophobicContact CZ3-CG1 4.43Å; W851-I896 HydrophobicContact CZ3-CG2 4.43Å; W851-A899 HydrophobicContact CB-CB 3.78Å; W851-A899 HydrophobicContact CG-CB 3.85Å; W851-K900 HydrophobicContact CZ2-CG 4.24Å |
| 852 | L | 71.7 | Confident | 70 | Confident | 65 Ų | 65 | 43.3 Ų | 43.3 | 34% | 0.34 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.4 | -45.4 | -178.5 | -165.2 | 74.5 | 0 | 0 | 0 | 112.4 | S854 L855 H856 | L852-S854 VanDerWaalsContact C-N 3.31Å; L852-S854 PolarHBondContact O-N 3.06Å; L852-L855 PolarHBondContact O-N 3.4Å; L852-H856 PolarHBondContact O-CD2 3.48Å; L852-H856 PolarHBondContact O-N 2.93Å |
| 853 | P | 68.4 | Low | 69.6 | Low | 76 Ų | 76 | 43 Ų | 43 | 49% | 0.494 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.3 | -38.5 | 172.8 | -25.6 | 35.8 | 0 | 0 | 0 | 113.4 | G849 H856 Y857 | G849-P853 WeakPolarHBondContact O-CD 3.42Å; G849-P853 VanDerWaalsContact O-CG 3.29Å; G849-P853 WeakPolarHBondContact O-CG 3.19Å; P853-H856 PolarHBondContact O-N 3.36Å; P853-Y857 PolarHBondContact O-N 3.09Å |
| 854 | S | 68.8 | Low | 69.1 | Low | 7 Ų | 7 | 44.1 Ų | 44.1 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 176.9 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | S850 W851 L852 Y857 L858 | S850-S854 WeakPolarHBondContact O-CB 2.99Å; S850-S854 PolarHBondContact O-N 3.31Å; S850-S854 PolarHBondContact O-OG 3.36Å; W851-S854 PolarHBondContact O-N 3.13Å; L852-S854 VanDerWaalsContact C-N 3.31Å; L852-S854 PolarHBondContact O-N 3.06Å; S854-Y857 PolarHBondContact O-N 2.85Å; S854-L858 WeakPolarHBondContact O-CG 3.28Å; S854-L858 PolarHBondContact O-N 2.94Å; S854-L858 VanDerWaalsContact O-N 3.11Å |
| 855 | L | 73.3 | Confident | 68.2 | Low | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.3 | -36.7 | 175.2 | -68.5 | 172.4 | 0 | 0 | 0 | 112.4 | L845 W851 L852 L858 A859 I878 L895 L898 A899 | L845-L855 HydrophobicContact CD2-CD1 4.3Å; W851-L855 WeakPolarHBondContact O-CG 3.45Å; W851-L855 PolarHBondContact O-N 2.64Å; L852-L855 PolarHBondContact O-N 3.4Å; L855-L858 PolarHBondContact O-N 3.48Å; L855-A859 PolarHBondContact O-N 3.42Å; L855-I878 HydrophobicContact CB-CD1 3.97Å; L855-L895 HydrophobicContact CD1-CB 4.31Å; L855-L895 HydrophobicContact CD1-CD2 4.3Å; L855-L895 HydrophobicContact CD2-CD2 3.97Å; L855-L898 HydrophobicContact CD2-CD2 3.99Å; L855-L898 HydrophobicContact CD2-CG 4.25Å; L855-A899 HydrophobicContact CD1-CB 4.38Å; L855-A899 HydrophobicContact CD2-CB 4.33Å; L855-A899 HydrophobicContact CG-CB 4.12Å |
| 856 | H | 72.6 | Confident | 66.9 | Low | 88 Ų | 88 | 50.1 Ų | 50.1 | 41% | 0.407 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 174.3 | -81.1 | -61.8 | 0 | 0 | 0 | 112.9 | L852 P853 L858 A859 S860 | L852-H856 PolarHBondContact O-CD2 3.48Å; L852-H856 PolarHBondContact O-N 2.93Å; P853-H856 PolarHBondContact O-N 3.36Å; H856-L858 VanDerWaalsContact C-N 3.32Å; H856-L858 PolarHBondContact O-N 2.89Å; H856-A859 WeakPolarHBondContact O-CB 3.04Å; H856-A859 PolarHBondContact O-N 2.98Å; H856-A859 VanDerWaalsContact O-N 3.15Å; H856-S860 PolarHBondContact O-N 3.27Å; H856-S860 VanDerWaalsContact O-N 3.16Å |
| 857 | Y | 70.2 | Confident | 65.2 | Low | 51 Ų | 51 | 51 Ų | 51 | 20% | 0.2 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 171.2 | 171.3 | -78.3 | 0 | 0 | 0 | 110.3 | P853 S854 A859 S860 L861 E1051 | P853-Y857 PolarHBondContact O-N 3.09Å; S854-Y857 PolarHBondContact O-N 2.85Å; Y857-A859 PolarHBondContact O-N 2.85Å; Y857-S860 WeakPolarHBondContact O-CA 3.23Å; Y857-S860 WeakPolarHBondContact O-CB 3.45Å; Y857-S860 PolarHBondContact O-N 3.07Å; Y857-S860 PolarHBondContact O-OG 3.27Å; Y857-L861 HydrophobicContact CE1-CD2 3.98Å; Y857-E1051 PolarHBondContact OH-OE2 3.4Å |
| 858 | L | 70.4 | Confident | 63.5 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59 | -36.6 | 179.6 | -69.5 | 173.2 | 0 | 0 | 0 | 109.7 | S854 L855 H856 S860 L861 L898 W964 E972 | S854-L858 WeakPolarHBondContact O-CG 3.28Å; S854-L858 PolarHBondContact O-N 2.94Å; S854-L858 VanDerWaalsContact O-N 3.11Å; L855-L858 PolarHBondContact O-N 3.48Å; H856-L858 VanDerWaalsContact C-N 3.32Å; H856-L858 PolarHBondContact O-N 2.89Å; L858-S860 PolarHBondContact O-N 3.18Å; L858-L861 HydrophobicContact CB-CD1 4.47Å; L858-L861 HydrophobicContact CD2-CD1 3.73Å; L858-L861 WeakPolarHBondContact O-CB 3.42Å; L858-L861 VanDerWaalsContact O-CG 3.27Å; L858-L861 WeakPolarHBondContact O-CG 3.31Å; L858-L861 PolarHBondContact O-N 3.21Å; L858-L898 HydrophobicContact CD1-CD1 3.8Å; L858-L898 HydrophobicContact CD1-CD2 3.73Å; L858-L898 HydrophobicContact CD1-CG 3.58Å; L858-W964 HydrophobicContact CB-CH2 4.05Å; L858-W964 HydrophobicContact CB-CZ2 4.12Å; L858-W964 WeakPolarHBondContact O-CZ2 3.47Å; L858-E972 HydrophobicContact CD2-CG 3.89Å |
| 859 | A | 64 | Low | 62 | Low | 40 Ų | 40 | 58.1 Ų | 58.1 | 33% | 0.331 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.4 | -21.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L855 H856 Y857 W964 | L855-A859 PolarHBondContact O-N 3.42Å; H856-A859 WeakPolarHBondContact O-CB 3.04Å; H856-A859 PolarHBondContact O-N 2.98Å; H856-A859 VanDerWaalsContact O-N 3.15Å; Y857-A859 PolarHBondContact O-N 2.85Å; A859-W964 HydrophobicContact CB-CZ2 4.01Å |
| 860 | S | 65.7 | Low | 60.3 | Low | 85 Ų | 85 | 63.1 Ų | 63.1 | 59% | 0.594 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -3.3 | 175.8 | 74.4 | 0 | 0 | 0 | 0 | 114.7 | H856 Y857 L858 | H856-S860 PolarHBondContact O-N 3.27Å; H856-S860 VanDerWaalsContact O-N 3.16Å; Y857-S860 WeakPolarHBondContact O-CA 3.23Å; Y857-S860 WeakPolarHBondContact O-CB 3.45Å; Y857-S860 PolarHBondContact O-N 3.07Å; Y857-S860 PolarHBondContact O-OG 3.27Å; L858-S860 PolarHBondContact O-N 3.18Å |
| 861 | L | 67.8 | Low | 58.5 | Low | 17 Ų | 17 | 70.3 Ų | 70.3 | 9% | 0.089 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 137.2 | 179.7 | -66.8 | 172.6 | 0 | 0 | 0 | 112 | Y857 L858 I863 H971 A1047 | Y857-L861 HydrophobicContact CE1-CD2 3.98Å; L858-L861 HydrophobicContact CB-CD1 4.47Å; L858-L861 HydrophobicContact CD2-CD1 3.73Å; L858-L861 WeakPolarHBondContact O-CB 3.42Å; L858-L861 VanDerWaalsContact O-CG 3.27Å; L858-L861 WeakPolarHBondContact O-CG 3.31Å; L858-L861 PolarHBondContact O-N 3.21Å; L861-I863 PolarHBondContact O-N 2.89Å; L861-H971 HydrophobicContact CD1-CB 4.43Å; L861-A1047 HydrophobicContact CB-CB 4.03Å; L861-A1047 HydrophobicContact CD1-CB 3.91Å |
| 862 | E | 64.9 | Low | 56.3 | Low | 66 Ų | 66 | 78 Ų | 78 | 31% | 0.308 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 117 | 173.8 | -72.7 | -177.5 | -157.9 | 0 | 0 | 109.6 | A1047 L1048 V1090 | E862-A1047 WeakPolarHBondContact O-CA 3.44Å; E862-L1048 PolarHBondContact N-O 2.95Å; E862-L1048 PolarHBondContact O-N 3.15Å; E862-V1090 WeakPolarHBondContact OE2-CG1 3.3Å |
| 863 | I | 62.8 | Low | 54.5 | Low | 62 Ų | 62 | 79.6 Ų | 79.6 | 32% | 0.318 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.1 | 179.8 | -60.2 | -179.6 | 0 | 0 | 0 | 109.9 | L861 W964 A967 L1045 A1047 | L861-I863 PolarHBondContact O-N 2.89Å; I863-W964 HydrophobicContact CD1-CB 4.3Å; I863-W964 HydrophobicContact CD1-CG 3.97Å; I863-A967 HydrophobicContact CD1-CB 4.49Å; I863-L1045 HydrophobicContact CG2-CB 3.86Å; I863-L1045 HydrophobicContact CG2-CD2 3.48Å; I863-L1045 VanDerWaalsContact CG2-CD2 3.48Å; I863-L1045 HydrophobicContact CG2-CG 4.17Å; I863-A1047 HydrophobicContact CG1-CB 4.28Å |
| 864 | V | 58.5 | Low | 53 | Low | 41 Ų | 41 | 82 Ų | 82 | 25% | 0.248 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.2 | 178.8 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | Y1025 I1046 L1048 | V864-Y1025 HydrophobicContact CG1-CD1 4.13Å; V864-I1046 PolarHBondContact N-O 3.46Å; V864-I1046 PolarHBondContact O-N 3.12Å; V864-L1048 HydrophobicContact CG2-CD1 3.82Å |
| 865 | G | 55.5 | Low | 51.8 | Low | 26 Ų | 26 | 85.6 Ų | 85.6 | 27% | 0.268 | 50% | 0.495 | S | S | . | . | trans | -157.3 | 172.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | H867 | G865-H867 PolarHBondContact O-N 3.35Å; G865-H867 VanDerWaalsContact O-N 3.13Å | ||
| 866 | P | 42.7 | Very low | 50.9 | Low | 104 Ų | 104 | 89.5 Ų | 89.5 | 68% | 0.675 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -69.1 | -7.8 | -172.3 | 25 | -32.6 | 0 | 0 | 0 | 115.2 | ||
| 867 | H | 39.4 | Very low | 50.2 | Low | 162 Ų | 162 | 86.7 Ų | 86.7 | 75% | 0.75 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -132.2 | 119.4 | 172.5 | -80.4 | -63.1 | 0 | 0 | 0 | 110.5 | G865 T869 | G865-H867 PolarHBondContact O-N 3.35Å; G865-H867 VanDerWaalsContact O-N 3.13Å; H867-T869 PolarHBondContact O-N 2.86Å |
| 868 | P | 34.7 | Very low | 49.7 | Very low | 125 Ų | 125 | 84.7 Ų | 84.7 | 81% | 0.812 | 50% | 0.498 | S | S | * | . | trans | -69.7 | 115.9 | 172.2 | 27.9 | -30.3 | 0 | 0 | 0 | 108.6 | N870 | P868-N870 PolarHBondContact O-N 3.02Š| ||
| 869 | T | 37.9 | Very low | 49.2 | Very low | 117 Ų | 117 | 89.1 Ų | 89.1 | 72% | 0.718 | 52% | 0.522 | S | S | * | . | trans | -72.1 | 125.2 | 166.5 | 42.6 | 0 | 0 | 0 | 0 | 108 | H867 E871 | H867-T869 PolarHBondContact O-N 2.86Å; T869-E871 PolarHBondContact O-N 3.36Å | ||
| 870 | N | 32.5 | Very low | 48.8 | Very low | 160 Ų | 160 | 89.3 Ų | 89.3 | 86% | 0.856 | 52% | 0.517 | S | S | * | . | trans | -47 | 119.2 | -179.3 | -110.7 | -11.1 | 0 | 0 | 0 | 111.5 | P868 N872 | P868-N870 PolarHBondContact O-N 3.02Å; N870-N872 PolarHBondContact O-N 3.3Å | ||
| 871 | E | 29.8 | Very low | 48.5 | Very low | 179 Ų | 179 | 85.9 Ų | 85.9 | 84% | 0.836 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -49.9 | 101.9 | 160.6 | -62 | 172.3 | 175.1 | 0 | 0 | 108.1 | T869 | T869-E871 PolarHBondContact O-N 3.36Š|
| 872 | N | 29.8 | Very low | 48.2 | Very low | 167 Ų | 167 | 86.7 Ų | 86.7 | 89% | 0.893 | 50% | 0.496 | S | S | * | . | trans | 166.8 | 49.9 | 160.4 | -82.6 | -27.2 | 0 | 0 | 0 | 113.9 | N870 | N870-N872 PolarHBondContact O-N 3.3Š| ||
| 873 | S | 34.2 | Very low | 47.9 | Very low | 97 Ų | 97 | 87.9 Ų | 87.9 | 68% | 0.678 | 51% | 0.512 | S | S | * | . | trans | -138.3 | 99.5 | 165.8 | 64 | 0 | 0 | 0 | 0 | 112.6 | T875 | S873-T875 PolarHBondContact O-N 3.03Š| ||
| 874 | S | 38.4 | Very low | 47.5 | Very low | 127 Ų | 127 | 86.4 Ų | 86.4 | 89% | 0.888 | 51% | 0.507 | S | S | * | . | trans | -72.6 | 29.6 | -180 | 60 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 875 | T | 43 | Very low | 47.1 | Very low | 83 Ų | 83 | 90.5 Ų | 90.5 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | trans | -110.3 | 112.1 | -178.1 | 53.8 | 0 | 0 | 0 | 0 | 109.4 | S873 S877 | S873-T875 PolarHBondContact O-N 3.03Å; T875-S877 PolarHBondContact O-N 3.11Å | ||
| 876 | N | 54.6 | Low | 47.2 | Very low | 83 Ų | 83 | 92.2 Ų | 92.2 | 44% | 0.444 | 56% | 0.555 | S | S | . | * | trans | -50.8 | 126.6 | 177.7 | -65.8 | -35.5 | 0 | 0 | 0 | 109.9 | I878 D879 L880 | N876-I878 PolarHBondContact O-N 3.49Å; N876-I878 VanDerWaalsContact O-N 3.15Å; N876-D879 HydrophobicContact CB-CB 4.25Å; N876-D879 WeakPolarHBondContact CB-OD2 3.24Å; N876-D879 PolarHBondContact ND2-OD2 3.43Å; N876-D879 VanDerWaalsContact ND2-OD2 3.15Å; N876-D879 PolarHBondContact O-N 2.97Å; N876-L880 PolarHBondContact O-N 3.49Å; N876-L880 VanDerWaalsContact O-N 3.17Å | ||
| 877 | S | 56.8 | Low | 48.1 | Very low | 28 Ų | 28 | 91.2 Ų | 91.2 | 20% | 0.196 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -56.4 | -28.7 | 176.3 | 41.8 | 0 | 0 | 0 | 0 | 112.5 | T875 L880 L881 | T875-S877 PolarHBondContact O-N 3.11Å; S877-L880 PolarHBondContact O-N 3.32Å; S877-L881 PolarHBondContact O-N 2.88Å; S877-L881 VanDerWaalsContact O-N 3.16Å |
| 878 | I | 60.2 | Low | 49.3 | Very low | 9 Ų | 9 | 86.2 Ų | 86.2 | 5% | 0.046 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -65 | -46.3 | 174.3 | -56.8 | 171.5 | 0 | 0 | 0 | 111 | L855 N876 L880 L881 L882 | L855-I878 HydrophobicContact CB-CD1 3.97Å; N876-I878 PolarHBondContact O-N 3.49Å; N876-I878 VanDerWaalsContact O-N 3.15Å; I878-L880 VanDerWaalsContact C-N 3.3Å; I878-L880 PolarHBondContact O-N 3.28Å; I878-L881 PolarHBondContact O-N 2.77Å; I878-L882 HydrophobicContact CG2-CD1 4.05Å; I878-L882 WeakPolarHBondContact O-CG 3.34Å; I878-L882 PolarHBondContact O-N 3.18Å; I878-L882 VanDerWaalsContact O-N 3.11Å |
| 879 | D | 59.3 | Low | 51.1 | Low | 94 Ų | 94 | 83.4 Ų | 83.4 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.7 | -34.2 | 178.6 | -65.7 | -27.6 | 0 | 0 | 0 | 111.4 | N876 S883 | N876-D879 HydrophobicContact CB-CB 4.25Å; N876-D879 WeakPolarHBondContact CB-OD2 3.24Å; N876-D879 PolarHBondContact ND2-OD2 3.43Å; N876-D879 VanDerWaalsContact ND2-OD2 3.15Å; N876-D879 PolarHBondContact O-N 2.97Å; D879-S883 WeakPolarHBondContact O-CB 3.31Å; D879-S883 PolarHBondContact O-N 3.06Å; D879-S883 VanDerWaalsContact O-N 3.11Å; D879-S883 PolarHBondContact O-OG 3.25Å |
| 880 | L | 56.7 | Low | 52.7 | Low | 44 Ų | 44 | 82.4 Ų | 82.4 | 23% | 0.23 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 175.9 | -164.8 | 79.7 | 0 | 0 | 0 | 111.7 | N876 S877 I878 S883 R957 | N876-L880 PolarHBondContact O-N 3.49Å; N876-L880 VanDerWaalsContact O-N 3.17Å; S877-L880 PolarHBondContact O-N 3.32Å; I878-L880 VanDerWaalsContact C-N 3.3Å; I878-L880 PolarHBondContact O-N 3.28Å; L880-S883 PolarHBondContact O-N 3.41Å; L880-S883 PolarHBondContact O-OG 3.33Å; L880-R957 HydrophobicContact CD2-CB 3.96Å |
| 881 | L | 58.8 | Low | 54.6 | Low | 12 Ų | 12 | 75.7 Ų | 75.7 | 6% | 0.063 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 177.4 | -82 | 157 | 0 | 0 | 0 | 112.4 | S877 I878 S883 S884 A961 F962 I965 | S877-L881 PolarHBondContact O-N 2.88Å; S877-L881 VanDerWaalsContact O-N 3.16Å; I878-L881 PolarHBondContact O-N 2.77Å; L881-S883 VanDerWaalsContact C-N 3.28Å; L881-S883 PolarHBondContact O-N 3.2Å; L881-S884 PolarHBondContact O-OG 3.25Å; L881-A961 HydrophobicContact CD1-CB 4.34Å; L881-A961 HydrophobicContact CG-CB 4.25Å; L881-F962 HydrophobicContact CD2-CE1 4.44Å; L881-F962 HydrophobicContact CD2-CZ 4.46Å; L881-I965 HydrophobicContact CD1-CD1 3.56Å; L881-I965 HydrophobicContact CD1-CG1 4.37Å |
| 882 | L | 61 | Low | 56.9 | Low | 35 Ų | 35 | 67.2 Ų | 67.2 | 18% | 0.183 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.2 | -22.2 | 179.1 | -66 | 171.6 | 0 | 0 | 0 | 113.1 | P841 T842 L845 I878 I892 | P841-L882 HydrophobicContact CB-CD2 3.9Å; T842-L882 HydrophobicContact CG2-CD1 4.26Å; L845-L882 HydrophobicContact CD1-CD1 4.34Å; L845-L882 HydrophobicContact CD1-CD2 4.34Å; I878-L882 HydrophobicContact CG2-CD1 4.05Å; I878-L882 WeakPolarHBondContact O-CG 3.34Å; I878-L882 PolarHBondContact O-N 3.18Å; I878-L882 VanDerWaalsContact O-N 3.11Å; L882-I892 HydrophobicContact CD2-CG1 4.26Å |
| 883 | S | 59 | Low | 59.3 | Low | 91 Ų | 91 | 59.4 Ų | 59.4 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -6.7 | -179.9 | 72.6 | 0 | 0 | 0 | 0 | 115.6 | D879 L880 L881 | D879-S883 WeakPolarHBondContact O-CB 3.31Å; D879-S883 PolarHBondContact O-N 3.06Å; D879-S883 VanDerWaalsContact O-N 3.11Å; D879-S883 PolarHBondContact O-OG 3.25Å; L880-S883 PolarHBondContact O-N 3.41Å; L880-S883 PolarHBondContact O-OG 3.33Å; L881-S883 VanDerWaalsContact C-N 3.28Å; L881-S883 PolarHBondContact O-N 3.2Å |
| 884 | S | 54.8 | Low | 61.5 | Low | 31 Ų | 31 | 55.2 Ų | 55.2 | 22% | 0.217 | 34% | 0.339 | C | S | . | . | trans | -91.5 | 112.7 | -173.4 | 75.5 | 0 | 0 | 0 | 0 | 112.9 | L881 G886 I888 | L881-S884 PolarHBondContact O-OG 3.25Å; S884-G886 PolarHBondContact O-N 3.19Å; S884-I888 WeakPolarHBondContact O-CG1 3.45Å | ||
| 885 | S | 50.9 | Low | 63.5 | Low | 126 Ų | 126 | 49.2 Ų | 49.2 | 88% | 0.881 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -0.5 | -169.9 | 62.7 | 0 | 0 | 0 | 0 | 116.6 | ||
| 886 | G | 56.1 | Low | 65.3 | Low | 62 Ų | 62 | 45.2 Ų | 45.2 | 64% | 0.639 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -22.8 | -171 | 0 | 0 | 0 | 0 | 0 | 116 | S884 | S884-G886 PolarHBondContact O-N 3.19Š|
| 887 | N | 61.7 | Low | 66.7 | Low | 83 Ų | 83 | 41.3 Ų | 41.3 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | trans | -139.5 | 25.8 | -166.8 | -74.2 | -32.2 | 0 | 0 | 0 | 113.4 | M889 W890 G891 | N887-M889 VanDerWaalsContact C-N 3.3Å; N887-M889 PolarHBondContact O-N 3.47Å; N887-W890 PolarHBondContact O-N 3.31Å; N887-G891 PolarHBondContact O-N 3.13Å | ||
| 888 | I | 66.2 | Low | 68 | Low | 58 Ų | 58 | 40 Ų | 40 | 30% | 0.297 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.2 | -42.9 | -173.6 | -63.1 | 176.2 | 0 | 0 | 0 | 111.9 | P841 S884 G891 I892 | P841-I888 HydrophobicContact CB-CG2 4.19Å; P841-I888 HydrophobicContact CG-CG2 3.45Å; P841-I888 VanDerWaalsContact CG-CG2 3.45Å; S884-I888 WeakPolarHBondContact O-CG1 3.45Å; I888-G891 PolarHBondContact O-N 3.3Å; I888-I892 HydrophobicContact CG2-CD1 3.53Å; I888-I892 HydrophobicContact CG2-CG1 4.32Å; I888-I892 WeakPolarHBondContact O-CD1 3.33Å; I888-I892 VanDerWaalsContact O-CG1 3.25Å; I888-I892 WeakPolarHBondContact O-CG1 3.44Å; I888-I892 PolarHBondContact O-N 3.5Å |
| 889 | M | 71.5 | Confident | 69 | Low | 66 Ų | 66 | 39.6 Ų | 39.6 | 33% | 0.325 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.4 | -51.3 | 178.1 | -176.4 | -176.2 | 72.5 | 0 | 0 | 112.1 | D832 L835 N887 G891 I892 T893 | D832-M889 HydrophobicContact CB-SD 4.15Å; L835-M889 HydrophobicContact CD1-CB 3.83Å; L835-M889 HydrophobicContact CD1-CG 4.01Å; N887-M889 VanDerWaalsContact C-N 3.3Å; N887-M889 PolarHBondContact O-N 3.47Å; M889-G891 PolarHBondContact O-N 3.07Å; M889-I892 PolarHBondContact O-N 3.31Å; M889-T893 WeakPolarHBondContact O-CB 3.05Å; M889-T893 PolarHBondContact O-N 2.84Å; M889-T893 PolarHBondContact O-OG1 3.47Å |
| 890 | W | 72.3 | Confident | 70.1 | Confident | 96 Ų | 96 | 36 Ų | 36 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.1 | -40.5 | 179.8 | -69.7 | 110.6 | 0 | 0 | 0 | 112.4 | N887 T893 V894 N925 | N887-W890 PolarHBondContact O-N 3.31Å; W890-T893 PolarHBondContact O-N 3.48Å; W890-V894 VanDerWaalsContact O-CG2 3.31Å; W890-V894 WeakPolarHBondContact O-CG2 3.13Å; W890-V894 PolarHBondContact O-N 2.99Å; W890-N925 HydrophobicContact CE3-CB 4.43Å; W890-N925 HydrophobicContact CZ3-CB 4.43Å |
| 891 | G | 72 | Confident | 71.3 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 19% | 0.186 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.8 | -48.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N887 I888 M889 V894 L895 | N887-G891 PolarHBondContact O-N 3.13Å; I888-G891 PolarHBondContact O-N 3.3Å; M889-G891 PolarHBondContact O-N 3.07Å; G891-V894 PolarHBondContact O-N 3.27Å; G891-L895 VanDerWaalsContact O-CG 3.26Å; G891-L895 WeakPolarHBondContact O-CG 3.28Å; G891-L895 PolarHBondContact O-N 3.18Å |
| 892 | I | 77.8 | Confident | 72.3 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -45 | 178.3 | -65.3 | 162.2 | 0 | 0 | 0 | 111 | V831 L835 P841 I844 L882 I888 M889 V894 L895 I896 | V831-I892 HydrophobicContact CG1-CB 4.35Å; V831-I892 HydrophobicContact CG1-CG2 3.97Å; L835-I892 HydrophobicContact CD1-CD1 4.13Å; L835-I892 HydrophobicContact CD2-CD1 3.8Å; L835-I892 HydrophobicContact CG-CD1 4.46Å; P841-I892 HydrophobicContact CB-CD1 3.47Å; P841-I892 VanDerWaalsContact CB-CD1 3.47Å; P841-I892 HydrophobicContact CB-CG1 4.05Å; P841-I892 HydrophobicContact CG-CD1 3.8Å; I844-I892 HydrophobicContact CG2-CG2 4.32Å; L882-I892 HydrophobicContact CD2-CG1 4.26Å; I888-I892 HydrophobicContact CG2-CD1 3.53Å; I888-I892 HydrophobicContact CG2-CG1 4.32Å; I888-I892 WeakPolarHBondContact O-CD1 3.33Å; I888-I892 VanDerWaalsContact O-CG1 3.25Å; I888-I892 WeakPolarHBondContact O-CG1 3.44Å; I888-I892 PolarHBondContact O-N 3.5Å; M889-I892 PolarHBondContact O-N 3.31Å; I892-V894 VanDerWaalsContact C-N 3.33Å; I892-V894 PolarHBondContact O-N 2.86Å; I892-L895 PolarHBondContact O-N 3.22Å; I892-I896 HydrophobicContact CG2-CD1 3.5Å; I892-I896 VanDerWaalsContact CG2-CD1 3.5Å; I892-I896 HydrophobicContact CG2-CG1 4.1Å; I892-I896 WeakPolarHBondContact O-CG1 3.36Å; I892-I896 PolarHBondContact O-N 3.48Å |
| 893 | T | 80.5 | Confident | 73.1 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.5 | -46.8 | 178.1 | -68.2 | 0 | 0 | 0 | 0 | 111.9 | N828 M889 W890 I896 Q897 | N828-T893 WeakPolarHBondContact OD1-CG2 3.24Å; M889-T893 WeakPolarHBondContact O-CB 3.05Å; M889-T893 PolarHBondContact O-N 2.84Å; M889-T893 PolarHBondContact O-OG1 3.47Å; W890-T893 PolarHBondContact O-N 3.48Å; T893-I896 PolarHBondContact O-N 2.92Å; T893-Q897 WeakPolarHBondContact O-CB 3.1Å; T893-Q897 VanDerWaalsContact O-CG 3.25Å; T893-Q897 WeakPolarHBondContact O-CG 3.45Å; T893-Q897 PolarHBondContact O-N 3.38Å |
| 894 | V | 79 | Confident | 74 | Confident | 9 Ų | 9 | 29.1 Ų | 29.1 | 6% | 0.055 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -41.1 | 177.7 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | W890 G891 I892 Q897 L898 A922 N925 L926 I965 | W890-V894 VanDerWaalsContact O-CG2 3.31Å; W890-V894 WeakPolarHBondContact O-CG2 3.13Å; W890-V894 PolarHBondContact O-N 2.99Å; G891-V894 PolarHBondContact O-N 3.27Å; I892-V894 VanDerWaalsContact C-N 3.33Å; I892-V894 PolarHBondContact O-N 2.86Å; V894-Q897 PolarHBondContact O-N 3.1Å; V894-L898 VanDerWaalsContact O-CB 3.26Å; V894-L898 WeakPolarHBondContact O-CB 3.48Å; V894-L898 PolarHBondContact O-N 2.87Å; V894-A922 HydrophobicContact CG1-CB 4.42Å; V894-N925 HydrophobicContact CG2-CB 3.79Å; V894-L926 HydrophobicContact CG1-CD1 4.27Å; V894-I965 HydrophobicContact CG1-CD1 4.45Å; V894-I965 HydrophobicContact CG1-CG2 3.96Å |
| 895 | L | 80.6 | Confident | 74.9 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.7 | -41.2 | 177.5 | -71.5 | 171.6 | 0 | 0 | 0 | 112.5 | L845 L855 G891 I892 L898 A899 | L845-L895 HydrophobicContact CD1-CD1 4.4Å; L845-L895 HydrophobicContact CD2-CB 4.27Å; L855-L895 HydrophobicContact CD1-CB 4.31Å; L855-L895 HydrophobicContact CD1-CD2 4.3Å; L855-L895 HydrophobicContact CD2-CD2 3.97Å; G891-L895 VanDerWaalsContact O-CG 3.26Å; G891-L895 WeakPolarHBondContact O-CG 3.28Å; G891-L895 PolarHBondContact O-N 3.18Å; I892-L895 PolarHBondContact O-N 3.22Å; L895-L898 PolarHBondContact O-N 2.86Å; L895-A899 VanDerWaalsContact O-CB 3.25Å; L895-A899 WeakPolarHBondContact O-CB 3.48Å; L895-A899 PolarHBondContact O-N 3.29Å |
| 896 | I | 82 | Confident | 75.9 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.7 | -43.2 | 176.9 | -67.6 | 171.7 | 0 | 0 | 0 | 110.8 | I827 V831 I844 L845 W851 I892 T893 L898 A899 K900 | I827-I896 HydrophobicContact CD1-CG2 4.31Å; I827-I896 HydrophobicContact CG2-CB 4.4Å; I827-I896 HydrophobicContact CG2-CG2 3.91Å; V831-I896 HydrophobicContact CG2-CD1 3.68Å; I844-I896 HydrophobicContact CG2-CD1 3.65Å; L845-I896 HydrophobicContact CD2-CG1 3.91Å; W851-I896 HydrophobicContact CH2-CG2 4.27Å; W851-I896 HydrophobicContact CZ2-CG2 4.49Å; W851-I896 HydrophobicContact CZ3-CG1 4.43Å; W851-I896 HydrophobicContact CZ3-CG2 4.43Å; I892-I896 HydrophobicContact CG2-CD1 3.5Å; I892-I896 VanDerWaalsContact CG2-CD1 3.5Å; I892-I896 HydrophobicContact CG2-CG1 4.1Å; I892-I896 WeakPolarHBondContact O-CG1 3.36Å; I892-I896 PolarHBondContact O-N 3.48Å; T893-I896 PolarHBondContact O-N 2.92Å; I896-L898 VanDerWaalsContact C-N 3.35Å; I896-A899 PolarHBondContact O-N 3.15Å; I896-K900 WeakPolarHBondContact O-CB 3.49Å; I896-K900 PolarHBondContact O-N 3.11Å |
| 897 | Q | 84.1 | Confident | 76.4 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 176 | -74.3 | 171.6 | -13.2 | 0 | 0 | 111.2 | P824 I827 N828 T893 V894 G901 F918 A922 N925 | P824-Q897 PolarHBondContact O-NE2 3.16Å; I827-Q897 HydrophobicContact CD1-CG 4.18Å; I827-Q897 HydrophobicContact CG2-CG 4.5Å; N828-Q897 PolarHBondContact OD1-NE2 3.33Å; T893-Q897 WeakPolarHBondContact O-CB 3.1Å; T893-Q897 VanDerWaalsContact O-CG 3.25Å; T893-Q897 WeakPolarHBondContact O-CG 3.45Å; T893-Q897 PolarHBondContact O-N 3.38Å; V894-Q897 PolarHBondContact O-N 3.1Å; Q897-G901 PolarHBondContact O-N 3.49Å; Q897-F918 HydrophobicContact CG-CD1 4.38Å; Q897-A922 HydrophobicContact CB-CB 3.95Å; Q897-N925 PolarHBondContact NE2-ND2 3.4Å; Q897-N925 PolarHBondContact OE1-ND2 3.33Å |
| 898 | L | 82.8 | Confident | 76.6 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64 | -45.3 | 175.6 | -179.6 | 61.9 | 0 | 0 | 0 | 112.3 | L855 L858 V894 L895 I896 G901 S902 L919 I965 I969 | L855-L898 HydrophobicContact CD2-CD2 3.99Å; L855-L898 HydrophobicContact CD2-CG 4.25Å; L858-L898 HydrophobicContact CD1-CD1 3.8Å; L858-L898 HydrophobicContact CD1-CD2 3.73Å; L858-L898 HydrophobicContact CD1-CG 3.58Å; V894-L898 VanDerWaalsContact O-CB 3.26Å; V894-L898 WeakPolarHBondContact O-CB 3.48Å; V894-L898 PolarHBondContact O-N 2.87Å; L895-L898 PolarHBondContact O-N 2.86Å; I896-L898 VanDerWaalsContact C-N 3.35Å; L898-G901 PolarHBondContact O-N 3.39Å; L898-S902 PolarHBondContact O-N 3.36Å; L898-L919 HydrophobicContact CD1-CD2 3.88Å; L898-I965 HydrophobicContact CD2-CG2 4.45Å; L898-I969 HydrophobicContact CD1-CG1 3.81Å |
| 899 | A | 81.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | W851 L855 L895 I896 S903 | W851-A899 HydrophobicContact CB-CB 3.78Å; W851-A899 HydrophobicContact CG-CB 3.85Å; L855-A899 HydrophobicContact CD1-CB 4.38Å; L855-A899 HydrophobicContact CD2-CB 4.33Å; L855-A899 HydrophobicContact CG-CB 4.12Å; L895-A899 VanDerWaalsContact O-CB 3.25Å; L895-A899 WeakPolarHBondContact O-CB 3.48Å; L895-A899 PolarHBondContact O-N 3.29Å; I896-A899 PolarHBondContact O-N 3.15Å; A899-S903 WeakPolarHBondContact O-CB 3.48Å; A899-S903 PolarHBondContact O-N 2.87Å |
| 900 | K | 83.2 | Confident | 75.8 | Confident | 17 Ų | 17 | 26.1 Ų | 26.1 | 7% | 0.074 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 172.8 | -80.9 | -169.8 | 170.2 | -170.4 | 0 | 111.9 | L818 T821 I827 W851 I896 S903 I904 F918 | L818-K900 WeakPolarHBondContact O-CE 3.24Å; L818-K900 PolarHBondContact O-NZ 3.45Å; T821-K900 PolarHBondContact O-NZ 2.98Å; I827-K900 HydrophobicContact CD1-CD 3.76Å; W851-K900 HydrophobicContact CZ2-CG 4.24Å; I896-K900 WeakPolarHBondContact O-CB 3.49Å; I896-K900 PolarHBondContact O-N 3.11Å; K900-S903 PolarHBondContact O-N 3Å; K900-I904 WeakPolarHBondContact O-CD1 3.46Å; K900-I904 VanDerWaalsContact O-CG1 3.23Å; K900-I904 WeakPolarHBondContact O-CG1 3.28Å; K900-I904 PolarHBondContact O-N 3.23Å; K900-F918 HydrophobicContact CB-CD2 4.18Å; K900-F918 HydrophobicContact CB-CE2 4.33Å; K900-F918 HydrophobicContact CB-CG 4.37Å; K900-F918 HydrophobicContact CD-CE1 4.24Å; K900-F918 HydrophobicContact CD-CE2 4.29Å; K900-F918 HydrophobicContact CD-CZ 3.95Å |
| 901 | G | 80.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.8 | -51.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q897 L898 I904 I905 | Q897-G901 PolarHBondContact O-N 3.49Å; L898-G901 PolarHBondContact O-N 3.39Å; G901-I904 PolarHBondContact O-N 3.26Å; G901-I905 WeakPolarHBondContact O-CG1 3.34Å; G901-I905 PolarHBondContact O-N 3.24Å; G901-I905 VanDerWaalsContact O-N 3.15Å |
| 902 | S | 80.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.3 | -37.6 | 178.9 | -170.5 | 0 | 0 | 0 | 0 | 112.4 | L898 I904 I905 R906 E972 | L898-S902 PolarHBondContact O-N 3.36Å; S902-I904 PolarHBondContact O-N 3.21Å; S902-I905 PolarHBondContact O-N 3.03Å; S902-R906 WeakPolarHBondContact O-CG 3.44Å; S902-R906 PolarHBondContact O-N 2.91Å; S902-R906 VanDerWaalsContact O-N 3.12Å; S902-R906 PolarHBondContact OG-NE 3.34Å; S902-R906 PolarHBondContact OG-NH2 2.89Å; S902-E972 WeakPolarHBondContact CB-OE1 3.45Å; S902-E972 PolarHBondContact OG-OE1 3.22Å |
| 903 | S | 77.9 | Confident | 75 | Confident | 21 Ų | 21 | 29.5 Ų | 29.5 | 15% | 0.147 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | A899 K900 R906 H907 | A899-S903 WeakPolarHBondContact O-CB 3.48Å; A899-S903 PolarHBondContact O-N 2.87Å; K900-S903 PolarHBondContact O-N 3Å; S903-R906 PolarHBondContact O-N 3.18Å; S903-H907 WeakPolarHBondContact O-CB 3.36Å; S903-H907 PolarHBondContact O-CD2 2.98Å; S903-H907 PolarHBondContact O-N 2.75Å |
| 904 | I | 77.5 | Confident | 74.6 | Confident | 18 Ų | 18 | 30.6 Ų | 30.6 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.7 | -44.7 | 176.4 | -69.9 | 163.1 | 0 | 0 | 0 | 110.3 | K900 G901 S902 R906 H907 E908 A915 F918 | K900-I904 WeakPolarHBondContact O-CD1 3.46Å; K900-I904 VanDerWaalsContact O-CG1 3.23Å; K900-I904 WeakPolarHBondContact O-CG1 3.28Å; K900-I904 PolarHBondContact O-N 3.23Å; G901-I904 PolarHBondContact O-N 3.26Å; S902-I904 PolarHBondContact O-N 3.21Å; I904-R906 VanDerWaalsContact C-N 3.28Å; I904-R906 PolarHBondContact O-N 3.29Å; I904-H907 PolarHBondContact O-N 3.27Å; I904-E908 HydrophobicContact CG2-CB 4.18Å; I904-E908 HydrophobicContact CG2-CG 4.27Å; I904-E908 WeakPolarHBondContact CG2-OE2 3.25Å; I904-E908 WeakPolarHBondContact O-CB 3.37Å; I904-E908 PolarHBondContact O-N 3.45Å; I904-A915 HydrophobicContact CB-CB 4Å; I904-A915 HydrophobicContact CG2-CB 3.74Å; I904-F918 HydrophobicContact CD1-CD2 3.76Å; I904-F918 HydrophobicContact CD1-CE2 3.8Å |
| 905 | I | 75.3 | Confident | 74.5 | Confident | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.6 | -35.1 | -179.5 | -68.2 | 164.4 | 0 | 0 | 0 | 112.2 | G901 S902 F912 A915 L919 E972 L975 A976 L979 | G901-I905 WeakPolarHBondContact O-CG1 3.34Å; G901-I905 PolarHBondContact O-N 3.24Å; G901-I905 VanDerWaalsContact O-N 3.15Å; S902-I905 PolarHBondContact O-N 3.03Å; I905-F912 HydrophobicContact CG1-CD1 4.34Å; I905-A915 HydrophobicContact CD1-CB 4.17Å; I905-A915 HydrophobicContact CG1-CB 3.77Å; I905-L919 HydrophobicContact CD1-CD1 3.86Å; I905-E972 HydrophobicContact CD1-CB 4.11Å; I905-E972 WeakPolarHBondContact CD1-OE2 3.19Å; I905-L975 HydrophobicContact CG2-CD2 4.48Å; I905-A976 HydrophobicContact CD1-CB 3.88Å; I905-A976 HydrophobicContact CG1-CB 4.2Å; I905-L979 HydrophobicContact CG2-CD1 4.23Å |
| 906 | R | 69.9 | Low | 74.5 | Confident | 33 Ų | 33 | 32.4 Ų | 32.4 | 13% | 0.125 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -84 | -30.6 | -179.5 | -65.9 | 176.9 | -153.3 | -124.5 | -5.5 | 114.6 | F757 S902 S903 I904 E972 | F757-R906 HydrophobicContact CB-CB 4.5Å; F757-R906 HydrophobicContact CD2-CB 4.48Å; F757-R906 WeakPolarHBondContact CD2-O 3.04Å; S902-R906 WeakPolarHBondContact O-CG 3.44Å; S902-R906 PolarHBondContact O-N 2.91Å; S902-R906 VanDerWaalsContact O-N 3.12Å; S902-R906 PolarHBondContact OG-NE 3.34Å; S902-R906 PolarHBondContact OG-NH2 2.89Å; S903-R906 PolarHBondContact O-N 3.18Å; I904-R906 VanDerWaalsContact C-N 3.28Å; I904-R906 PolarHBondContact O-N 3.29Å; R906-E972 IonicContact NH2-OE1 3.39Å |
| 907 | H | 68.4 | Low | 74.3 | Confident | 96 Ų | 96 | 34.2 Ų | 34.2 | 44% | 0.444 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -110.1 | -26.5 | -168.7 | -64.3 | -64.9 | 0 | 0 | 0 | 114.2 | S903 I904 | S903-H907 WeakPolarHBondContact O-CB 3.36Å; S903-H907 PolarHBondContact O-CD2 2.98Å; S903-H907 PolarHBondContact O-N 2.75Å; I904-H907 PolarHBondContact O-N 3.27Å |
| 908 | E | 64.3 | Low | 74.3 | Confident | 78 Ų | 78 | 34.3 Ų | 34.3 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -96.8 | 141.6 | 179.8 | -63.8 | -170 | 168.6 | 0 | 0 | 111.5 | R822 I904 F912 | R822-E908 IonicContact CZ-OE1 3.6Å; R822-E908 IonicContact NH2-OE1 3.79Å; R822-E908 PolarHBondContact NH2-OE1 2.88Å; R822-E908 IonicContact NH2-OE2 3.41Å; I904-E908 HydrophobicContact CG2-CB 4.18Å; I904-E908 HydrophobicContact CG2-CG 4.27Å; I904-E908 WeakPolarHBondContact CG2-OE2 3.25Å; I904-E908 WeakPolarHBondContact O-CB 3.37Å; I904-E908 PolarHBondContact O-N 3.45Å; E908-F912 WeakPolarHBondContact O-CE1 3.44Å |
| 909 | I | 61 | Low | 74.3 | Confident | 130 Ų | 130 | 34.3 Ų | 34.3 | 67% | 0.667 | 19% | 0.191 | S | C | * | . | trans | -79.8 | 137.5 | 170.1 | -59.1 | 166.7 | 0 | 0 | 0 | 107.2 | ||||
| 910 | S | 61.8 | Low | 74.4 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 11% | 0.105 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -41.3 | 143.2 | -177 | 62.1 | 0 | 0 | 0 | 0 | 113.6 | N983 S985 | S910-N983 PolarHBondContact OG-ND2 3.43Å; S910-S985 PolarHBondContact OG-OG 3.29Å |
| 911 | P | 60.1 | Low | 74.3 | Confident | 83 Ų | 83 | 38.3 Ų | 38.3 | 54% | 0.539 | 22% | 0.215 | S | C | . | . | cis | -93.3 | 140.1 | 24 | 33.1 | -35.4 | 0 | 0 | 0 | 116.2 | T913 | P911-T913 PolarHBondContact O-N 3.37Å; P911-T913 VanDerWaalsContact O-N 3.13Å | ||
| 912 | F | 72 | Confident | 74.3 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 25.4 | -177.4 | -58.8 | -63.5 | 0 | 0 | 0 | 114.7 | I905 E908 G914 A915 R916 L979 E980 | I905-F912 HydrophobicContact CG1-CD1 4.34Å; E908-F912 WeakPolarHBondContact O-CE1 3.44Å; F912-G914 VanDerWaalsContact C-N 3.32Å; F912-G914 PolarHBondContact O-N 3.47Å; F912-A915 HydrophobicContact CB-CB 4.32Å; F912-A915 WeakPolarHBondContact O-CB 3.24Å; F912-A915 PolarHBondContact O-N 2.79Å; F912-A915 VanDerWaalsContact O-N 3.11Å; F912-R916 PolarHBondContact O-N 3.18Å; F912-L979 HydrophobicContact CE2-CB 3.85Å; F912-L979 HydrophobicContact CZ-CB 4.39Å; F912-E980 HydrophobicContact CD2-CB 4.26Å |
| 913 | T | 72.5 | Confident | 74.3 | Confident | 93 Ų | 93 | 40.9 Ų | 40.9 | 57% | 0.571 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -59.2 | -40.9 | -174.8 | -49.6 | 0 | 0 | 0 | 0 | 112.5 | P911 R916 A917 | P911-T913 PolarHBondContact O-N 3.37Å; P911-T913 VanDerWaalsContact O-N 3.13Å; T913-R916 PolarHBondContact O-N 3.08Å; T913-A917 PolarHBondContact O-N 3.48Å; T913-A917 VanDerWaalsContact O-N 3.09Å |
| 914 | G | 71.8 | Confident | 74.4 | Confident | 26 Ų | 26 | 45 Ų | 45 | 27% | 0.268 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F912 A917 F918 | F912-G914 VanDerWaalsContact C-N 3.32Å; F912-G914 PolarHBondContact O-N 3.47Å; G914-A917 PolarHBondContact O-N 3.12Å; G914-F918 WeakPolarHBondContact O-CD2 3.27Å; G914-F918 PolarHBondContact O-N 3.21Å; G914-F918 VanDerWaalsContact O-N 3.12Å |
| 915 | A | 77.2 | Confident | 74.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I904 I905 F912 A917 F918 L919 | I904-A915 HydrophobicContact CB-CB 4Å; I904-A915 HydrophobicContact CG2-CB 3.74Å; I905-A915 HydrophobicContact CD1-CB 4.17Å; I905-A915 HydrophobicContact CG1-CB 3.77Å; F912-A915 HydrophobicContact CB-CB 4.32Å; F912-A915 WeakPolarHBondContact O-CB 3.24Å; F912-A915 PolarHBondContact O-N 2.79Å; F912-A915 VanDerWaalsContact O-N 3.11Å; A915-A917 VanDerWaalsContact C-N 3.32Å; A915-A917 PolarHBondContact O-N 3.44Å; A915-F918 PolarHBondContact O-N 2.9Å; A915-L919 WeakPolarHBondContact O-CB 3.45Å; A915-L919 WeakPolarHBondContact O-CG 3.34Å; A915-L919 PolarHBondContact O-N 2.77Å |
| 916 | R | 79.4 | Confident | 74 | Confident | 47 Ų | 47 | 44.9 Ų | 44.9 | 18% | 0.177 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.1 | -44.6 | 175.7 | -73.1 | -165.4 | -178.8 | 100.9 | 5.9 | 111.7 | F912 T913 F918 L919 L920 L973 D977 E980 | F912-R916 PolarHBondContact O-N 3.18Å; T913-R916 PolarHBondContact O-N 3.08Å; R916-F918 VanDerWaalsContact C-N 3.32Å; R916-F918 PolarHBondContact O-N 3.48Å; R916-L919 PolarHBondContact O-N 3.49Å; R916-L920 VanDerWaalsContact O-CB 3.28Å; R916-L920 WeakPolarHBondContact O-CB 3.38Å; R916-L920 VanDerWaalsContact O-CG 3.25Å; R916-L920 WeakPolarHBondContact O-CG 3.11Å; R916-L920 PolarHBondContact O-N 3.41Å; R916-L973 HydrophobicContact CG-CD1 4.38Å; R916-D977 IonicContact CZ-OD1 3.29Å; R916-D977 IonicContact NE-OD1 3.87Å; R916-D977 PolarHBondContact NE-OD1 3.44Å; R916-D977 VanDerWaalsContact NE-OD1 3.1Å; R916-D977 IonicContact NH2-OD1 3.53Å; R916-D977 PolarHBondContact NH2-OD1 2.9Å; R916-E980 IonicContact CZ-OE2 2.82Å; R916-E980 IonicContact NH1-OE1 2.83Å; R916-E980 PolarHBondContact NH1-OE1 2.95Å; R916-E980 IonicContact NH1-OE2 3.27Å; R916-E980 PolarHBondContact NH1-OE2 2.85Å; R916-E980 IonicContact NH2-OE1 2.75Å; R916-E980 IonicContact NH2-OE2 3.1Å; R916-E980 PolarHBondContact NH2-OE2 3.22Å |
| 917 | A | 79.7 | Confident | 73.8 | Confident | 39 Ų | 39 | 45.9 Ų | 45.9 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T913 G914 A915 A921 | T913-A917 PolarHBondContact O-N 3.48Å; T913-A917 VanDerWaalsContact O-N 3.09Å; G914-A917 PolarHBondContact O-N 3.12Å; A915-A917 VanDerWaalsContact C-N 3.32Å; A915-A917 PolarHBondContact O-N 3.44Å; A917-A921 WeakPolarHBondContact O-CB 3.2Å; A917-A921 PolarHBondContact O-N 3.32Å |
| 918 | F | 83.4 | Confident | 73.5 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 175.9 | -73 | -56.3 | 0 | 0 | 0 | 113.3 | R822 P824 I827 Q897 K900 I904 G914 A915 R916 A921 A922 | R822-F918 WeakPolarHBondContact O-CZ 3.4Å; P824-F918 HydrophobicContact CB-CD1 4.01Å; P824-F918 HydrophobicContact CB-CE1 4.24Å; I827-F918 HydrophobicContact CD1-CD1 3.8Å; I827-F918 HydrophobicContact CD1-CE1 3.25Å; I827-F918 HydrophobicContact CD1-CZ 4.09Å; I827-F918 HydrophobicContact CG1-CE1 4.26Å; Q897-F918 HydrophobicContact CG-CD1 4.38Å; K900-F918 HydrophobicContact CB-CD2 4.18Å; K900-F918 HydrophobicContact CB-CE2 4.33Å; K900-F918 HydrophobicContact CB-CG 4.37Å; K900-F918 HydrophobicContact CD-CE1 4.24Å; K900-F918 HydrophobicContact CD-CE2 4.29Å; K900-F918 HydrophobicContact CD-CZ 3.95Å; I904-F918 HydrophobicContact CD1-CD2 3.76Å; I904-F918 HydrophobicContact CD1-CE2 3.8Å; G914-F918 WeakPolarHBondContact O-CD2 3.27Å; G914-F918 PolarHBondContact O-N 3.21Å; G914-F918 VanDerWaalsContact O-N 3.12Å; A915-F918 PolarHBondContact O-N 2.9Å; R916-F918 VanDerWaalsContact C-N 3.32Å; R916-F918 PolarHBondContact O-N 3.48Å; F918-A921 PolarHBondContact O-N 3.37Å; F918-A922 WeakPolarHBondContact O-CB 3.47Å; F918-A922 PolarHBondContact O-N 2.96Å |
| 919 | L | 82.8 | Confident | 73.1 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 180 | -69.9 | 174.3 | 0 | 0 | 0 | 112.3 | L898 I905 A915 R916 A922 L923 I969 E972 | L898-L919 HydrophobicContact CD1-CD2 3.88Å; I905-L919 HydrophobicContact CD1-CD1 3.86Å; A915-L919 WeakPolarHBondContact O-CB 3.45Å; A915-L919 WeakPolarHBondContact O-CG 3.34Å; A915-L919 PolarHBondContact O-N 2.77Å; R916-L919 PolarHBondContact O-N 3.49Å; L919-A922 PolarHBondContact O-N 2.86Å; L919-L923 WeakPolarHBondContact O-CB 3.39Å; L919-L923 PolarHBondContact O-N 2.77Å; L919-I969 HydrophobicContact CB-CG2 4.3Å; L919-I969 HydrophobicContact CD2-CG2 4.39Å; L919-E972 HydrophobicContact CD1-CB 3.89Å; L919-E972 HydrophobicContact CD2-CB 4.18Å |
| 920 | L | 82.8 | Confident | 72.5 | Confident | 85 Ų | 85 | 39 Ų | 39 | 45% | 0.445 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.2 | -38.2 | 175.6 | -70.2 | 172.7 | 0 | 0 | 0 | 111.6 | R916 L923 N924 | R916-L920 VanDerWaalsContact O-CB 3.28Å; R916-L920 WeakPolarHBondContact O-CB 3.38Å; R916-L920 VanDerWaalsContact O-CG 3.25Å; R916-L920 WeakPolarHBondContact O-CG 3.11Å; R916-L920 PolarHBondContact O-N 3.41Å; L920-L923 PolarHBondContact O-N 3.41Å; L920-N924 WeakPolarHBondContact O-CB 3.45Å; L920-N924 PolarHBondContact O-N 3.18Å |
| 921 | A | 81.3 | Confident | 71.7 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63 | -43.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P824 A917 F918 L923 N924 N925 | P824-A921 HydrophobicContact CB-CB 3.4Å; P824-A921 HydrophobicContact CG-CB 3.96Å; A917-A921 WeakPolarHBondContact O-CB 3.2Å; A917-A921 PolarHBondContact O-N 3.32Å; F918-A921 PolarHBondContact O-N 3.37Å; A921-L923 VanDerWaalsContact C-N 3.32Å; A921-L923 PolarHBondContact O-N 2.88Å; A921-N924 PolarHBondContact O-N 3.31Å; A921-N925 WeakPolarHBondContact O-CB 3.16Å; A921-N925 PolarHBondContact O-N 2.72Å; A921-N925 PolarHBondContact O-ND2 3.32Å |
| 922 | A | 81 | Confident | 70.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V894 Q897 F918 L919 N925 L926 I969 | V894-A922 HydrophobicContact CG1-CB 4.42Å; Q897-A922 HydrophobicContact CB-CB 3.95Å; F918-A922 WeakPolarHBondContact O-CB 3.47Å; F918-A922 PolarHBondContact O-N 2.96Å; L919-A922 PolarHBondContact O-N 2.86Å; A922-N925 PolarHBondContact O-N 3.33Å; A922-L926 VanDerWaalsContact O-CB 3.32Å; A922-L926 WeakPolarHBondContact O-CB 3.43Å; A922-L926 PolarHBondContact O-N 2.9Å; A922-I969 HydrophobicContact CB-CD1 3.88Å |
| 923 | L | 80 | Confident | 69.1 | Low | 53 Ų | 53 | 50 Ų | 50 | 28% | 0.277 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 178.1 | -165.2 | 133.6 | 0 | 0 | 0 | 112.3 | L919 L920 A921 L926 A927 I969 | L919-L923 WeakPolarHBondContact O-CB 3.39Å; L919-L923 PolarHBondContact O-N 2.77Å; L920-L923 PolarHBondContact O-N 3.41Å; A921-L923 VanDerWaalsContact C-N 3.32Å; A921-L923 PolarHBondContact O-N 2.88Å; L923-L926 PolarHBondContact O-N 2.91Å; L923-A927 WeakPolarHBondContact O-CB 3.27Å; L923-A927 PolarHBondContact O-N 3.3Å; L923-I969 HydrophobicContact CB-CG2 4.24Å; L923-I969 HydrophobicContact CD1-CG2 3.89Å |
| 924 | N | 79.8 | Confident | 67 | Low | 107 Ų | 107 | 50.8 Ų | 50.8 | 57% | 0.572 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.8 | -43.4 | 175.3 | -78.7 | -20.4 | 0 | 0 | 0 | 111.9 | L920 A921 L926 A927 S928 | L920-N924 WeakPolarHBondContact O-CB 3.45Å; L920-N924 PolarHBondContact O-N 3.18Å; A921-N924 PolarHBondContact O-N 3.31Å; N924-L926 PolarHBondContact O-N 2.66Å; N924-A927 PolarHBondContact O-N 3.16Å; N924-S928 PolarHBondContact O-N 3.35Å; N924-S928 VanDerWaalsContact O-N 3.11Å |
| 925 | N | 73.5 | Confident | 65.1 | Low | 23 Ų | 23 | 55.1 Ų | 55.1 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64 | -27.4 | 175.2 | -73 | -27.7 | 0 | 0 | 0 | 112.4 | W890 V894 Q897 A921 A922 S928 | W890-N925 HydrophobicContact CE3-CB 4.43Å; W890-N925 HydrophobicContact CZ3-CB 4.43Å; V894-N925 HydrophobicContact CG2-CB 3.79Å; Q897-N925 PolarHBondContact NE2-ND2 3.4Å; Q897-N925 PolarHBondContact OE1-ND2 3.33Å; A921-N925 WeakPolarHBondContact O-CB 3.16Å; A921-N925 PolarHBondContact O-N 2.72Å; A921-N925 PolarHBondContact O-ND2 3.32Å; A922-N925 PolarHBondContact O-N 3.33Å; N925-S928 PolarHBondContact O-OG 2.96Å |
| 926 | L | 72.2 | Confident | 63 | Low | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -84.5 | -29.2 | 175.6 | -164.1 | 129.7 | 0 | 0 | 0 | 112.5 | V894 A922 L923 N924 F962 I965 R966 | V894-L926 HydrophobicContact CG1-CD1 4.27Å; A922-L926 VanDerWaalsContact O-CB 3.32Å; A922-L926 WeakPolarHBondContact O-CB 3.43Å; A922-L926 PolarHBondContact O-N 2.9Å; L923-L926 PolarHBondContact O-N 2.91Å; N924-L926 PolarHBondContact O-N 2.66Å; L926-F962 HydrophobicContact CD1-CD1 3.86Å; L926-F962 HydrophobicContact CG-CD1 4.12Å; L926-I965 HydrophobicContact CD1-CB 3.84Å; L926-I965 HydrophobicContact CD1-CD1 4.34Å; L926-I965 HydrophobicContact CD1-CG2 3.5Å; L926-I965 VanDerWaalsContact CD1-CG2 3.5Å; L926-R966 HydrophobicContact CD2-CB 4.15Å; L926-R966 VanDerWaalsContact CD2-NH2 3.27Å |
| 927 | A | 65.7 | Low | 60.8 | Low | 53 Ų | 53 | 64.2 Ų | 64.2 | 44% | 0.438 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -72 | -34.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L923 N924 V929 N930 | L923-A927 WeakPolarHBondContact O-CB 3.27Å; L923-A927 PolarHBondContact O-N 3.3Å; N924-A927 PolarHBondContact O-N 3.16Å; A927-V929 PolarHBondContact O-N 3.35Å; A927-N930 PolarHBondContact O-N 3.39Å |
| 928 | S | 62.1 | Low | 58.4 | Low | 55 Ų | 55 | 67.8 Ų | 67.8 | 39% | 0.385 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.8 | -26.8 | 176.7 | 62.6 | 0 | 0 | 0 | 0 | 113 | N924 N925 S931 | N924-S928 PolarHBondContact O-N 3.35Å; N924-S928 VanDerWaalsContact O-N 3.11Å; N925-S928 PolarHBondContact O-OG 2.96Å; S928-S931 PolarHBondContact O-OG 2.66Å |
| 929 | V | 54.6 | Low | 55.8 | Low | 24 Ų | 24 | 72.8 Ų | 72.8 | 15% | 0.145 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -75.2 | -31.4 | 178.7 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | A927 S931 I932 F962 | A927-V929 PolarHBondContact O-N 3.35Å; V929-S931 PolarHBondContact O-N 2.65Å; V929-I932 PolarHBondContact O-N 3.44Å; V929-F962 HydrophobicContact CG1-CE1 4.47Å; V929-F962 HydrophobicContact CG1-CZ 4.12Å |
| 930 | N | 49.6 | Very low | 53.3 | Low | 80 Ų | 80 | 77.6 Ų | 77.6 | 43% | 0.428 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.1 | -21.4 | -179.8 | -86.3 | -1.9 | 0 | 0 | 0 | 113.3 | A927 I932 R966 | A927-N930 PolarHBondContact O-N 3.39Å; N930-I932 PolarHBondContact O-N 3.23Å; N930-R966 PolarHBondContact ND2-NH2 3.15Å; N930-R966 PolarHBondContact OD1-NH2 3.4Å |
| 931 | S | 44.3 | Very low | 50.6 | Low | 102 Ų | 102 | 79.4 Ų | 79.4 | 71% | 0.713 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -10.8 | -177.7 | 69.6 | 0 | 0 | 0 | 0 | 114.1 | S928 V929 | S928-S931 PolarHBondContact O-OG 2.66Å; V929-S931 PolarHBondContact O-N 2.65Å |
| 932 | I | 43 | Very low | 48 | Very low | 143 Ų | 143 | 84.9 Ų | 84.9 | 73% | 0.733 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -5.2 | -176.6 | -56.8 | 173.4 | 0 | 0 | 0 | 111.6 | V929 N930 | V929-I932 PolarHBondContact O-N 3.44Å; N930-I932 PolarHBondContact O-N 3.23Å |
| 933 | I | 35.3 | Very low | 45.4 | Very low | 95 Ų | 95 | 93.1 Ų | 93.1 | 49% | 0.487 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -116.2 | 118.8 | -175.5 | -54.1 | 172.7 | 0 | 0 | 0 | 109.6 | ||
| 934 | P | 27.8 | Very low | 43 | Very low | 111 Ų | 111 | 96.5 Ų | 96.5 | 72% | 0.721 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 139.6 | -178.8 | 28 | -31.7 | 0 | 0 | 0 | 111 | ||
| 935 | P | 32.5 | Very low | 40.4 | Very low | 116 Ų | 116 | 96.7 Ų | 96.7 | 75% | 0.753 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 142.8 | 177.6 | 28.7 | -32.7 | 0 | 0 | 0 | 110.4 | S937 | P935-S937 PolarHBondContact O-N 2.93Š|
| 936 | P | 33 | Very low | 38.1 | Very low | 127 Ų | 127 | 101.3 Ų | 101.3 | 83% | 0.825 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 123.7 | 174.6 | 27.8 | -30.8 | 0 | 0 | 0 | 109.1 | S938 | P936-S938 PolarHBondContact O-N 3.38Š|
| 937 | S | 33.1 | Very low | 36 | Very low | 111 Ų | 111 | 107 Ų | 107 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 127.5 | -179.8 | 48.8 | 0 | 0 | 0 | 0 | 112.5 | P935 S939 | P935-S937 PolarHBondContact O-N 2.93Å; S937-S939 PolarHBondContact O-N 3.01Å |
| 938 | S | 27.8 | Very low | 34.1 | Very low | 115 Ų | 115 | 110.5 Ų | 110.5 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 122.8 | 165.8 | 51.6 | 0 | 0 | 0 | 0 | 113.1 | P936 | P936-S938 PolarHBondContact O-N 3.38Š|
| 939 | S | 30.6 | Very low | 32.5 | Very low | 106 Ų | 106 | 111.5 Ų | 111.5 | 74% | 0.741 | 70% | 0.699 | S | S | * | * | trans | -179.3 | 130.5 | 142.8 | 37.1 | 0 | 0 | 0 | 0 | 113.2 | S937 | S937-S939 PolarHBondContact O-N 3.01Š| ||
| 940 | S | 30 | Very low | 31.1 | Very low | 103 Ų | 103 | 119.5 Ų | 119.5 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | trans | 56.6 | 102.8 | 147.1 | 61.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 941 | V | 26.3 | Very low | 30.2 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | 50.1 | 120.7 | 104.8 | 178.9 | 0 | 0 | 0 | 0 | 118 | |||||
| 942 | N | 26.1 | Very low | 29.4 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 98.5 | 113.9 | 150.9 | -69.6 | -14.9 | 0 | 0 | 0 | 121 | ||||
| 943 | H | 26.3 | Very low | 28.7 | Very low | 173 Ų | 173 | 118.7 Ų | 118.7 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | trans | 64.2 | 147.1 | 135.5 | -77.2 | -75.6 | 0 | 0 | 0 | 121 | ||||
| 944 | V | 28.8 | Very low | 28.5 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | 103.1 | 89.5 | 155.3 | -164.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 945 | T | 25.7 | Very low | 28.6 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | 18.5 | 128.6 | 128.8 | 49.8 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 946 | T | 26.2 | Very low | 29 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | 74 | 128.7 | 134.9 | 58.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 947 | T | 26.9 | Very low | 29.7 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | trans | 88.5 | 115.2 | 150.7 | 65.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 948 | S | 27.2 | Very low | 30.5 | Very low | 126 Ų | 126 | 121 Ų | 121 | 88% | 0.881 | 71% | 0.709 | S | S | * | * | trans | 70.3 | 122.9 | 147.4 | 71.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 949 | G | 26.8 | Very low | 31.8 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 78% | 0.784 | 69% | 0.689 | S | S | * | * | trans | 165.2 | 69.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 950 | H | 26.9 | Very low | 33.1 | Very low | 193 Ų | 193 | 116.9 Ų | 116.9 | 89% | 0.894 | 67% | 0.674 | S | S | * | * | trans | -45.7 | 151.1 | 164.6 | -107.5 | -102.6 | 0 | 0 | 0 | 111.9 | ||||
| 951 | V | 29 | Very low | 34.7 | Very low | 135 Ų | 135 | 112.2 Ų | 112.2 | 82% | 0.818 | 64% | 0.641 | S | S | * | * | S | Bend | trans | 121.1 | -7.9 | 156.3 | -171.8 | 0 | 0 | 0 | 0 | 118.4 | ||
| 952 | V | 28 | Very low | 36.7 | Very low | 128 Ų | 128 | 108.2 Ų | 108.2 | 78% | 0.776 | 61% | 0.614 | S | S | * | * | trans | -107 | 5.4 | 178.6 | -169.2 | 0 | 0 | 0 | 0 | 115 | K954 | V952-K954 PolarHBondContact O-N 3.32Š| ||
| 953 | G | 29.6 | Very low | 38.7 | Very low | 44 Ų | 44 | 105.9 Ų | 105.9 | 45% | 0.454 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.4 | 6 | -163.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||
| 954 | K | 29.9 | Very low | 40.9 | Very low | 188 Ų | 188 | 99.1 Ų | 99.1 | 82% | 0.817 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -26.7 | -180 | -81.4 | -174.1 | 177.4 | -177.3 | 0 | 114.2 | V952 | V952-K954 PolarHBondContact O-N 3.32Š|
| 955 | Q | 31 | Very low | 43 | Very low | 155 Ų | 155 | 93.4 Ų | 93.4 | 72% | 0.724 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -81.9 | -28.8 | -177.9 | -81.4 | 166 | -23.5 | 0 | 0 | 113.7 | R957 | Q955-R957 PolarHBondContact O-N 3.39Å |
| 956 | S | 40.4 | Very low | 45.4 | Very low | 66 Ų | 66 | 90.3 Ų | 90.3 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 175.4 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | L958 C959 D960 | S956-L958 VanDerWaalsContact C-N 3.31Å; S956-L958 PolarHBondContact O-N 3.35Å; S956-C959 WeakPolarHBondContact O-CB 3.48Å; S956-C959 PolarHBondContact O-N 3.49Å; S956-C959 VanDerWaalsContact O-N 3.17Å; S956-D960 PolarHBondContact O-N 2.87Å |
| 957 | R | 47.8 | Very low | 47.6 | Very low | 143 Ų | 143 | 84.7 Ų | 84.7 | 54% | 0.54 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.9 | -29.4 | -176.3 | -61.6 | -174.4 | -179.2 | -169.7 | -3.1 | 113.7 | L880 Q955 A961 | L880-R957 HydrophobicContact CD2-CB 3.96Å; Q955-R957 PolarHBondContact O-N 3.39Å; R957-A961 PolarHBondContact O-N 2.93Å |
| 958 | L | 49.8 | Very low | 50 | Low | 58 Ų | 58 | 78.9 Ų | 78.9 | 30% | 0.304 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -72.9 | -37.9 | 175.3 | -78.4 | 167.9 | 0 | 0 | 0 | 111.4 | S956 D960 A961 F962 | S956-L958 VanDerWaalsContact C-N 3.31Å; S956-L958 PolarHBondContact O-N 3.35Å; L958-D960 VanDerWaalsContact C-N 3.28Å; L958-D960 PolarHBondContact O-N 3.15Å; L958-A961 PolarHBondContact O-N 3.27Å; L958-F962 WeakPolarHBondContact O-CD2 3.22Å; L958-F962 PolarHBondContact O-N 3.28Å; L958-F962 VanDerWaalsContact O-N 3.08Å |
| 959 | C | 54.6 | Low | 52.6 | Low | 57 Ų | 57 | 73 Ų | 73 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 173 | -79.3 | 0 | 0 | 0 | 0 | 111.7 | S956 A961 F962 Q963 | S956-C959 WeakPolarHBondContact O-CB 3.48Å; S956-C959 PolarHBondContact O-N 3.49Å; S956-C959 VanDerWaalsContact O-N 3.17Å; C959-A961 PolarHBondContact O-N 3.28Å; C959-F962 PolarHBondContact O-N 3.08Å; C959-Q963 WeakPolarHBondContact O-CB 3.32Å; C959-Q963 VanDerWaalsContact O-CG 3.3Å; C959-Q963 WeakPolarHBondContact O-CG 3.35Å; C959-Q963 PolarHBondContact O-N 2.81Å |
| 960 | D | 58.5 | Low | 55.2 | Low | 77 Ų | 77 | 73.8 Ų | 73.8 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 177.6 | -58.6 | -24.4 | 0 | 0 | 0 | 111.5 | S956 L958 Q963 W964 | S956-D960 PolarHBondContact O-N 2.87Å; L958-D960 VanDerWaalsContact C-N 3.28Å; L958-D960 PolarHBondContact O-N 3.15Å; D960-Q963 PolarHBondContact O-N 3.01Å; D960-W964 WeakPolarHBondContact O-CB 3.28Å; D960-W964 PolarHBondContact O-N 3.24Å |
| 961 | A | 63 | Low | 57.9 | Low | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.033 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.1 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L881 R957 L958 C959 W964 I965 | L881-A961 HydrophobicContact CD1-CB 4.34Å; L881-A961 HydrophobicContact CG-CB 4.25Å; R957-A961 PolarHBondContact O-N 2.93Å; L958-A961 PolarHBondContact O-N 3.27Å; C959-A961 PolarHBondContact O-N 3.28Å; A961-W964 WeakPolarHBondContact O-CB 3.27Å; A961-W964 PolarHBondContact O-N 2.9Å; A961-I965 WeakPolarHBondContact O-CG1 3.4Å; A961-I965 PolarHBondContact O-N 2.67Å |
| 962 | F | 68.3 | Low | 60.5 | Low | 40 Ų | 40 | 58.5 Ų | 58.5 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.8 | -33.5 | 175.4 | -74.1 | -64.4 | 0 | 0 | 0 | 112.7 | L881 L926 V929 L958 C959 R966 | L881-F962 HydrophobicContact CD2-CE1 4.44Å; L881-F962 HydrophobicContact CD2-CZ 4.46Å; L926-F962 HydrophobicContact CD1-CD1 3.86Å; L926-F962 HydrophobicContact CG-CD1 4.12Å; V929-F962 HydrophobicContact CG1-CE1 4.47Å; V929-F962 HydrophobicContact CG1-CZ 4.12Å; L958-F962 WeakPolarHBondContact O-CD2 3.22Å; L958-F962 PolarHBondContact O-N 3.28Å; L958-F962 VanDerWaalsContact O-N 3.08Å; C959-F962 PolarHBondContact O-N 3.08Å; F962-R966 WeakPolarHBondContact O-CB 3.42Å; F962-R966 PolarHBondContact O-N 3Å |
| 963 | Q | 67.7 | Low | 63.2 | Low | 82 Ų | 82 | 54 Ų | 54 | 38% | 0.383 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 173.1 | -75.6 | -179.9 | 10.3 | 0 | 0 | 111.7 | C959 D960 R966 A967 L1045 | C959-Q963 WeakPolarHBondContact O-CB 3.32Å; C959-Q963 VanDerWaalsContact O-CG 3.3Å; C959-Q963 WeakPolarHBondContact O-CG 3.35Å; C959-Q963 PolarHBondContact O-N 2.81Å; D960-Q963 PolarHBondContact O-N 3.01Å; Q963-R966 PolarHBondContact O-N 2.72Å; Q963-A967 WeakPolarHBondContact O-CB 3.11Å; Q963-A967 PolarHBondContact O-N 2.69Å; Q963-L1045 HydrophobicContact CB-CD1 3.74Å; Q963-L1045 HydrophobicContact CG-CD1 4.29Å |
| 964 | W | 72.9 | Confident | 65.7 | Low | 32 Ų | 32 | 53 Ų | 53 | 12% | 0.121 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60 | -49.2 | 173.3 | 178.1 | 95.7 | 0 | 0 | 0 | 111.8 | L858 A859 I863 D960 A961 R966 A967 G968 | L858-W964 HydrophobicContact CB-CH2 4.05Å; L858-W964 HydrophobicContact CB-CZ2 4.12Å; L858-W964 WeakPolarHBondContact O-CZ2 3.47Å; A859-W964 HydrophobicContact CB-CZ2 4.01Å; I863-W964 HydrophobicContact CD1-CB 4.3Å; I863-W964 HydrophobicContact CD1-CG 3.97Å; D960-W964 WeakPolarHBondContact O-CB 3.28Å; D960-W964 PolarHBondContact O-N 3.24Å; A961-W964 WeakPolarHBondContact O-CB 3.27Å; A961-W964 PolarHBondContact O-N 2.9Å; W964-R966 VanDerWaalsContact C-N 3.32Å; W964-R966 PolarHBondContact O-N 3.27Å; W964-A967 PolarHBondContact O-N 3.13Å; W964-G968 PolarHBondContact O-N 3.11Å |
| 965 | I | 72.7 | Confident | 68.2 | Low | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 175.7 | -65.4 | 175 | 0 | 0 | 0 | 110.9 | L881 V894 L898 L926 A961 A967 G968 I969 | L881-I965 HydrophobicContact CD1-CD1 3.56Å; L881-I965 HydrophobicContact CD1-CG1 4.37Å; V894-I965 HydrophobicContact CG1-CD1 4.45Å; V894-I965 HydrophobicContact CG1-CG2 3.96Å; L898-I965 HydrophobicContact CD2-CG2 4.45Å; L926-I965 HydrophobicContact CD1-CB 3.84Å; L926-I965 HydrophobicContact CD1-CD1 4.34Å; L926-I965 HydrophobicContact CD1-CG2 3.5Å; L926-I965 VanDerWaalsContact CD1-CG2 3.5Å; A961-I965 WeakPolarHBondContact O-CG1 3.4Å; A961-I965 PolarHBondContact O-N 2.67Å; I965-A967 VanDerWaalsContact C-N 3.3Å; I965-A967 PolarHBondContact O-N 3.28Å; I965-G968 PolarHBondContact O-N 3.39Å; I965-I969 HydrophobicContact CG2-CD1 3.7Å; I965-I969 HydrophobicContact CG2-CG1 4.22Å; I965-I969 WeakPolarHBondContact O-CG1 3.32Å; I965-I969 PolarHBondContact O-N 3.21Å |
| 966 | R | 75.9 | Confident | 70.6 | Confident | 45 Ų | 45 | 37 Ų | 37 | 17% | 0.17 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.5 | -36.3 | 179.4 | -168.9 | 179.4 | -66.7 | 122.7 | 3.6 | 112 | L926 N930 F962 Q963 W964 R970 | L926-R966 HydrophobicContact CD2-CB 4.15Å; L926-R966 VanDerWaalsContact CD2-NH2 3.27Å; N930-R966 PolarHBondContact ND2-NH2 3.15Å; N930-R966 PolarHBondContact OD1-NH2 3.4Å; F962-R966 WeakPolarHBondContact O-CB 3.42Å; F962-R966 PolarHBondContact O-N 3Å; Q963-R966 PolarHBondContact O-N 2.72Å; W964-R966 VanDerWaalsContact C-N 3.32Å; W964-R966 PolarHBondContact O-N 3.27Å; R966-R970 WeakPolarHBondContact O-CG 3.35Å; R966-R970 PolarHBondContact O-N 3.38Å |
| 967 | A | 73.2 | Confident | 72.5 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.1 | -42.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I863 Q963 W964 I965 R970 H971 L1045 A1047 | I863-A967 HydrophobicContact CD1-CB 4.49Å; Q963-A967 WeakPolarHBondContact O-CB 3.11Å; Q963-A967 PolarHBondContact O-N 2.69Å; W964-A967 PolarHBondContact O-N 3.13Å; I965-A967 VanDerWaalsContact C-N 3.3Å; I965-A967 PolarHBondContact O-N 3.28Å; A967-R970 PolarHBondContact O-N 3.21Å; A967-H971 WeakPolarHBondContact O-CB 3.36Å; A967-H971 PolarHBondContact O-N 3.42Å; A967-L1045 HydrophobicContact CB-CB 4.38Å; A967-A1047 HydrophobicContact CB-CB 4.03Å |
| 968 | G | 77.9 | Confident | 74 | Confident | 3 Ų | 3 | 27.4 Ų | 27.4 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | W964 I965 R970 H971 E972 | W964-G968 PolarHBondContact O-N 3.11Å; I965-G968 PolarHBondContact O-N 3.39Å; G968-R970 VanDerWaalsContact C-N 3.34Å; G968-R970 PolarHBondContact O-N 3.2Å; G968-H971 PolarHBondContact O-N 3.11Å; G968-E972 PolarHBondContact O-N 3.35Å; G968-E972 VanDerWaalsContact O-N 3.08Å |
| 969 | I | 81 | Confident | 75.4 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.3 | -41.4 | 176.9 | -66.9 | 166.1 | 0 | 0 | 0 | 111.4 | L898 L919 A922 L923 I965 L973 | L898-I969 HydrophobicContact CD1-CG1 3.81Å; L919-I969 HydrophobicContact CB-CG2 4.3Å; L919-I969 HydrophobicContact CD2-CG2 4.39Å; A922-I969 HydrophobicContact CB-CD1 3.88Å; L923-I969 HydrophobicContact CB-CG2 4.24Å; L923-I969 HydrophobicContact CD1-CG2 3.89Å; I965-I969 HydrophobicContact CG2-CD1 3.7Å; I965-I969 HydrophobicContact CG2-CG1 4.22Å; I965-I969 WeakPolarHBondContact O-CG1 3.32Å; I965-I969 PolarHBondContact O-N 3.21Å; I969-L973 WeakPolarHBondContact O-CB 3.37Å; I969-L973 PolarHBondContact O-N 3.02Å |
| 970 | R | 80.3 | Confident | 76.3 | Confident | 93 Ų | 93 | 25.8 Ų | 25.8 | 35% | 0.351 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -68 | -37 | 179.3 | -77.8 | 178.2 | 173.2 | 157.9 | -6 | 112.6 | R966 A967 G968 L974 N1044 | R966-R970 WeakPolarHBondContact O-CG 3.35Å; R966-R970 PolarHBondContact O-N 3.38Å; A967-R970 PolarHBondContact O-N 3.21Å; G968-R970 VanDerWaalsContact C-N 3.34Å; G968-R970 PolarHBondContact O-N 3.2Å; R970-L974 WeakPolarHBondContact O-CB 3.45Å; R970-L974 PolarHBondContact O-N 3.08Å; R970-N1044 PolarHBondContact NH1-OD1 2.93Å; R970-N1044 PolarHBondContact NH2-OD1 3.16Å; R970-N1044 VanDerWaalsContact NH2-OD1 3.14Å |
| 971 | H | 85.4 | Confident | 76.9 | Confident | 5 Ų | 5 | 24.7 Ų | 24.7 | 2% | 0.023 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.8 | -53.3 | 173.4 | 165.4 | -78.6 | 0 | 0 | 0 | 110.8 | L861 A967 G968 L973 L974 L975 A1047 S1049 | L861-H971 HydrophobicContact CD1-CB 4.43Å; A967-H971 WeakPolarHBondContact O-CB 3.36Å; A967-H971 PolarHBondContact O-N 3.42Å; G968-H971 PolarHBondContact O-N 3.11Å; H971-L973 VanDerWaalsContact C-N 3.35Å; H971-L973 PolarHBondContact O-N 2.95Å; H971-L974 PolarHBondContact O-N 3.43Å; H971-L975 WeakPolarHBondContact O-CB 3.31Å; H971-L975 PolarHBondContact O-N 2.9Å; H971-A1047 HydrophobicContact CB-CB 4.04Å; H971-A1047 PolarHBondContact CD2-O 3.42Å; H971-S1049 VanDerWaalsContact NE2-CB 3.28Å; H971-S1049 WeakPolarHBondContact NE2-CB 3.4Å; H971-S1049 PolarHBondContact NE2-OG 3.48Å |
| 972 | E | 83 | Confident | 77.1 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.6 | -37 | -179.4 | -73.1 | -74.1 | -173.4 | 0 | 0 | 112.4 | L858 S902 I905 R906 L919 G968 L975 A976 | L858-E972 HydrophobicContact CD2-CG 3.89Å; S902-E972 WeakPolarHBondContact CB-OE1 3.45Å; S902-E972 PolarHBondContact OG-OE1 3.22Å; I905-E972 HydrophobicContact CD1-CB 4.11Å; I905-E972 WeakPolarHBondContact CD1-OE2 3.19Å; R906-E972 IonicContact NH2-OE1 3.39Å; L919-E972 HydrophobicContact CD1-CB 3.89Å; L919-E972 HydrophobicContact CD2-CB 4.18Å; G968-E972 PolarHBondContact O-N 3.35Å; G968-E972 VanDerWaalsContact O-N 3.08Å; E972-L975 PolarHBondContact O-N 3.09Å; E972-A976 VanDerWaalsContact O-CB 3.28Å; E972-A976 WeakPolarHBondContact O-CB 3.34Å; E972-A976 PolarHBondContact O-N 2.92Å |
| 973 | L | 83.4 | Confident | 77 | Confident | 33 Ų | 33 | 25.5 Ų | 25.5 | 17% | 0.173 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.2 | -44 | 175.8 | -169.3 | 72.9 | 0 | 0 | 0 | 111.8 | R916 I969 H971 A976 D977 | R916-L973 HydrophobicContact CG-CD1 4.38Å; I969-L973 WeakPolarHBondContact O-CB 3.37Å; I969-L973 PolarHBondContact O-N 3.02Å; H971-L973 VanDerWaalsContact C-N 3.35Å; H971-L973 PolarHBondContact O-N 2.95Å; L973-A976 PolarHBondContact O-N 3.49Å; L973-D977 VanDerWaalsContact O-CG 3.31Å; L973-D977 PolarHBondContact O-N 2.96Å |
| 974 | L | 83.2 | Confident | 76.4 | Confident | 24 Ų | 24 | 23.4 Ų | 23.4 | 13% | 0.126 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.3 | -39.4 | 177.3 | -176.6 | 64.6 | 0 | 0 | 0 | 111.5 | R970 H971 D977 L978 L1015 R1018 C1022 L1052 | R970-L974 WeakPolarHBondContact O-CB 3.45Å; R970-L974 PolarHBondContact O-N 3.08Å; H971-L974 PolarHBondContact O-N 3.43Å; L974-D977 PolarHBondContact O-N 3.46Å; L974-L978 HydrophobicContact CG-CD1 4.21Å; L974-L978 VanDerWaalsContact O-CG 3.29Å; L974-L978 WeakPolarHBondContact O-CG 3.41Å; L974-L978 PolarHBondContact O-N 2.98Å; L974-L1015 HydrophobicContact CD1-CD1 3.78Å; L974-R1018 HydrophobicContact CD1-CB 4.18Å; L974-C1022 HydrophobicContact CD2-CB 4.38Å; L974-L1052 HydrophobicContact CB-CD1 4.34Å; L974-L1052 HydrophobicContact CD2-CD1 3.95Å; L974-L1052 HydrophobicContact CD2-CD2 4.29Å; L974-L1052 HydrophobicContact CG-CD1 3.95Å |
| 975 | L | 83.1 | Confident | 75.6 | Confident | 7 Ų | 7 | 24.3 Ų | 24.3 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.4 | -46.6 | 175.7 | -177.6 | 62.7 | 0 | 0 | 0 | 111.3 | I905 H971 E972 D977 L978 L979 E1051 L1052 A1055 | I905-L975 HydrophobicContact CG2-CD2 4.48Å; H971-L975 WeakPolarHBondContact O-CB 3.31Å; H971-L975 PolarHBondContact O-N 2.9Å; E972-L975 PolarHBondContact O-N 3.09Å; L975-D977 VanDerWaalsContact C-N 3.34Å; L975-D977 PolarHBondContact O-N 3.42Å; L975-L978 PolarHBondContact O-N 3.29Å; L975-L979 HydrophobicContact CD1-CD1 4.06Å; L975-L979 HydrophobicContact CD1-CG 4.11Å; L975-L979 HydrophobicContact CG-CD1 3.87Å; L975-L979 HydrophobicContact CG-CG 4.32Å; L975-L979 WeakPolarHBondContact O-CB 3.18Å; L975-L979 WeakPolarHBondContact O-CG 3.47Å; L975-L979 PolarHBondContact O-N 3.47Å; L975-E1051 HydrophobicContact CD1-CB 4.49Å; L975-L1052 HydrophobicContact CB-CD1 4.27Å; L975-L1052 HydrophobicContact CD1-CD1 4.45Å; L975-A1055 HydrophobicContact CD1-CB 4.35Å |
| 976 | A | 81.1 | Confident | 74.6 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.1 | -42.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | I905 E972 L973 E980 | I905-A976 HydrophobicContact CD1-CB 3.88Å; I905-A976 HydrophobicContact CG1-CB 4.2Å; E972-A976 VanDerWaalsContact O-CB 3.28Å; E972-A976 WeakPolarHBondContact O-CB 3.34Å; E972-A976 PolarHBondContact O-N 2.92Å; L973-A976 PolarHBondContact O-N 3.49Å; A976-E980 WeakPolarHBondContact O-CB 3.46Å; A976-E980 PolarHBondContact O-N 3.03Å |
| 977 | D | 79.7 | Confident | 73.4 | Confident | 8 Ų | 8 | 23.1 Ų | 23.1 | 4% | 0.043 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 176 | -71.9 | -16.9 | 0 | 0 | 0 | 111.3 | R916 L973 L974 L975 F981 L1015 | R916-D977 IonicContact CZ-OD1 3.29Å; R916-D977 IonicContact NE-OD1 3.87Å; R916-D977 PolarHBondContact NE-OD1 3.44Å; R916-D977 VanDerWaalsContact NE-OD1 3.1Å; R916-D977 IonicContact NH2-OD1 3.53Å; R916-D977 PolarHBondContact NH2-OD1 2.9Å; L973-D977 VanDerWaalsContact O-CG 3.31Å; L973-D977 PolarHBondContact O-N 2.96Å; L974-D977 PolarHBondContact O-N 3.46Å; L975-D977 VanDerWaalsContact C-N 3.34Å; L975-D977 PolarHBondContact O-N 3.42Å; D977-F981 WeakPolarHBondContact O-CD2 3.31Å; D977-F981 PolarHBondContact O-N 3.47Å; D977-L1015 HydrophobicContact CB-CD1 4.34Å |
| 978 | L | 79.7 | Confident | 72 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | 178.4 | -70.2 | 170 | 0 | 0 | 0 | 112.9 | L974 L975 E980 F981 L982 L1015 V1019 L1052 A1055 A1056 F1059 | L974-L978 HydrophobicContact CG-CD1 4.21Å; L974-L978 VanDerWaalsContact O-CG 3.29Å; L974-L978 WeakPolarHBondContact O-CG 3.41Å; L974-L978 PolarHBondContact O-N 2.98Å; L975-L978 PolarHBondContact O-N 3.29Å; L978-E980 VanDerWaalsContact C-N 3.34Å; L978-E980 PolarHBondContact O-N 3.41Å; L978-F981 PolarHBondContact O-N 3.27Å; L978-L982 WeakPolarHBondContact O-CB 3.3Å; L978-L982 VanDerWaalsContact O-CG 3.3Å; L978-L982 WeakPolarHBondContact O-CG 3.31Å; L978-L982 PolarHBondContact O-N 3.43Å; L978-L1015 HydrophobicContact CD2-CD1 4.39Å; L978-V1019 HydrophobicContact CD1-CG2 4.31Å; L978-V1019 HydrophobicContact CD2-CG2 3.68Å; L978-V1019 HydrophobicContact CG-CG2 4.48Å; L978-L1052 HydrophobicContact CD1-CD1 3.81Å; L978-A1055 HydrophobicContact CB-CB 4.16Å; L978-A1055 HydrophobicContact CD1-CB 4.28Å; L978-A1056 HydrophobicContact CD1-CB 4.27Å; L978-F1059 HydrophobicContact CD2-CB 3.7Å; L978-F1059 HydrophobicContact CD2-CD1 3.87Å; L978-F1059 HydrophobicContact CD2-CD2 3.89Å; L978-F1059 HydrophobicContact CD2-CE1 4.48Å; L978-F1059 HydrophobicContact CD2-CG 3.54Å |
| 979 | L | 78.2 | Confident | 70.4 | Confident | 43 Ų | 43 | 34 Ų | 34 | 23% | 0.225 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.2 | -35.2 | 179.9 | -71.6 | 175.5 | 0 | 0 | 0 | 112.2 | I905 F912 L975 F981 L982 N983 M1232 | I905-L979 HydrophobicContact CG2-CD1 4.23Å; F912-L979 HydrophobicContact CE2-CB 3.85Å; F912-L979 HydrophobicContact CZ-CB 4.39Å; L975-L979 HydrophobicContact CD1-CD1 4.06Å; L975-L979 HydrophobicContact CD1-CG 4.11Å; L975-L979 HydrophobicContact CG-CD1 3.87Å; L975-L979 HydrophobicContact CG-CG 4.32Å; L975-L979 WeakPolarHBondContact O-CB 3.18Å; L975-L979 WeakPolarHBondContact O-CG 3.47Å; L975-L979 PolarHBondContact O-N 3.47Å; L979-F981 VanDerWaalsContact C-N 3.34Å; L979-L982 PolarHBondContact O-N 3.13Å; L979-N983 WeakPolarHBondContact O-CB 3.33Å; L979-N983 PolarHBondContact O-N 3.05Å; L979-M1232 HydrophobicContact CD2-CE 4.18Å |
| 980 | E | 74.5 | Confident | 68.4 | Low | 38 Ų | 38 | 39.1 Ų | 39.1 | 18% | 0.178 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.5 | -36.7 | 176.1 | -168.3 | 166.7 | 153.3 | 0 | 0 | 112.5 | F912 R916 A976 L978 S986 | F912-E980 HydrophobicContact CD2-CB 4.26Å; R916-E980 IonicContact CZ-OE2 2.82Å; R916-E980 IonicContact NH1-OE1 2.83Å; R916-E980 PolarHBondContact NH1-OE1 2.95Å; R916-E980 IonicContact NH1-OE2 3.27Å; R916-E980 PolarHBondContact NH1-OE2 2.85Å; R916-E980 IonicContact NH2-OE1 2.75Å; R916-E980 IonicContact NH2-OE2 3.1Å; R916-E980 PolarHBondContact NH2-OE2 3.22Å; A976-E980 WeakPolarHBondContact O-CB 3.46Å; A976-E980 PolarHBondContact O-N 3.03Å; L978-E980 VanDerWaalsContact C-N 3.34Å; L978-E980 PolarHBondContact O-N 3.41Å; E980-S986 VanDerWaalsContact O-CB 3.27Å; E980-S986 WeakPolarHBondContact O-CB 3.46Å; E980-S986 PolarHBondContact O-OG 2.96Å |
| 981 | F | 70.5 | Confident | 66.1 | Low | 54 Ų | 54 | 37.2 Ų | 37.2 | 24% | 0.237 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.1 | -27.4 | 172.7 | -82.6 | -70.5 | 0 | 0 | 0 | 113.3 | D977 L978 L979 F987 L1015 F1059 M1062 | D977-F981 WeakPolarHBondContact O-CD2 3.31Å; D977-F981 PolarHBondContact O-N 3.47Å; L978-F981 PolarHBondContact O-N 3.27Å; L979-F981 VanDerWaalsContact C-N 3.34Å; F981-F987 HydrophobicContact CD1-CZ 4.11Å; F981-F987 WeakPolarHBondContact O-CE2 3.47Å; F981-L1015 HydrophobicContact CD2-CD2 3.58Å; F981-L1015 HydrophobicContact CE2-CD2 3.56Å; F981-F1059 HydrophobicContact CB-CD2 4.3Å; F981-F1059 HydrophobicContact CB-CE2 4.16Å; F981-F1059 HydrophobicContact CD2-CE2 4.4Å; F981-F1059 HydrophobicContact CG-CE2 4.21Å; F981-M1062 HydrophobicContact CB-CE 4.46Å |
| 982 | L | 66.8 | Low | 63.6 | Low | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 5.1 | -178.7 | -70.2 | 169.5 | 0 | 0 | 0 | 113.7 | L978 L979 A1055 C1058 M1062 M1232 I1239 | L978-L982 WeakPolarHBondContact O-CB 3.3Å; L978-L982 VanDerWaalsContact O-CG 3.3Å; L978-L982 WeakPolarHBondContact O-CG 3.31Å; L978-L982 PolarHBondContact O-N 3.43Å; L979-L982 PolarHBondContact O-N 3.13Å; L982-A1055 HydrophobicContact CD1-CB 4.05Å; L982-C1058 HydrophobicContact CD1-CB 4.47Å; L982-C1058 HydrophobicContact CD2-CB 4.44Å; L982-M1062 HydrophobicContact CD2-SD 4.18Å; L982-M1232 HydrophobicContact CD1-SD 4.47Å; L982-I1239 VanDerWaalsContact C-CD1 3.46Å; L982-I1239 WeakPolarHBondContact O-CD1 3.48Å |
| 983 | N | 66 | Low | 61.1 | Low | 47 Ų | 47 | 47.6 Ų | 47.6 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | trans | -107.6 | 122.9 | 178.3 | -156.4 | 6 | 0 | 0 | 0 | 111.1 | S910 L979 S985 S986 | S910-N983 PolarHBondContact OG-ND2 3.43Å; L979-N983 WeakPolarHBondContact O-CB 3.33Å; L979-N983 PolarHBondContact O-N 3.05Å; N983-S985 PolarHBondContact ND2-OG 2.97Å; N983-S985 VanDerWaalsContact ND2-OG 3.16Å; N983-S985 PolarHBondContact O-N 3.36Å; N983-S986 PolarHBondContact O-N 3.29Å; N983-S986 PolarHBondContact O-OG 2.93Å | ||
| 984 | P | 56.4 | Low | 58.4 | Low | 38 Ų | 38 | 51.1 Ų | 51.1 | 25% | 0.247 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -61.2 | -30.2 | -177.8 | 20.7 | -32.9 | 0 | 0 | 0 | 113.6 | S986 F987 I1239 I1242 | P984-S986 PolarHBondContact O-N 3.29Å; P984-F987 PolarHBondContact O-N 3.39Å; P984-I1239 HydrophobicContact CB-CG1 4.3Å; P984-I1242 HydrophobicContact CB-CD1 4.49Å |
| 985 | S | 56.5 | Low | 55.9 | Low | 51 Ų | 51 | 58 Ų | 58 | 36% | 0.357 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -63.7 | -25.2 | -179.9 | 52.6 | 0 | 0 | 0 | 0 | 114 | S910 N983 F987 | S910-S985 PolarHBondContact OG-OG 3.29Å; N983-S985 PolarHBondContact ND2-OG 2.97Å; N983-S985 VanDerWaalsContact ND2-OG 3.16Å; N983-S985 PolarHBondContact O-N 3.36Å; S985-F987 VanDerWaalsContact C-N 3.31Å; S985-F987 PolarHBondContact O-N 3.31Å |
| 986 | S | 51.3 | Low | 53.4 | Low | 16 Ų | 16 | 67 Ų | 67 | 11% | 0.112 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -68.1 | -30.3 | -177.4 | -44.7 | 0 | 0 | 0 | 0 | 112.8 | E980 N983 P984 | E980-S986 VanDerWaalsContact O-CB 3.27Å; E980-S986 WeakPolarHBondContact O-CB 3.46Å; E980-S986 PolarHBondContact O-OG 2.96Å; N983-S986 PolarHBondContact O-N 3.29Å; N983-S986 PolarHBondContact O-OG 2.93Å; P984-S986 PolarHBondContact O-N 3.29Å |
| 987 | F | 50.2 | Low | 50.8 | Low | 8 Ų | 8 | 71.9 Ų | 71.9 | 4% | 0.035 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -20.8 | -173.9 | -71.7 | -77.3 | 0 | 0 | 0 | 113.8 | F981 P984 S985 N989 F990 I1239 I1242 M1243 | F981-F987 HydrophobicContact CD1-CZ 4.11Å; F981-F987 WeakPolarHBondContact O-CE2 3.47Å; P984-F987 PolarHBondContact O-N 3.39Å; S985-F987 VanDerWaalsContact C-N 3.31Å; S985-F987 PolarHBondContact O-N 3.31Å; F987-N989 PolarHBondContact O-N 3.46Å; F987-F990 PolarHBondContact O-N 2.87Å; F987-I1239 HydrophobicContact CD2-CG2 4.17Å; F987-I1239 HydrophobicContact CE2-CG2 3.58Å; F987-I1239 HydrophobicContact CZ-CG2 4.32Å; F987-I1242 HydrophobicContact CB-CG2 3.6Å; F987-I1242 HydrophobicContact CG-CG2 4.27Å; F987-M1243 HydrophobicContact CD1-CG 3.98Å; F987-M1243 HydrophobicContact CE1-CE 4.12Å; F987-M1243 HydrophobicContact CE1-CG 3.43Å; F987-M1243 VanDerWaalsContact CE1-CG 3.43Å; F987-M1243 HydrophobicContact CE1-SD 4.02Å; F987-M1243 HydrophobicContact CE2-CG 4.01Å; F987-M1243 HydrophobicContact CE2-SD 4.28Å; F987-M1243 HydrophobicContact CG-CG 4.48Å; F987-M1243 HydrophobicContact CZ-CE 4.07Å; F987-M1243 HydrophobicContact CZ-CG 3.43Å; F987-M1243 VanDerWaalsContact CZ-CG 3.43Å; F987-M1243 HydrophobicContact CZ-SD 3.55Å; F987-M1243 VanDerWaalsContact CZ-SD 3.55Å |
| 988 | N | 44.4 | Very low | 48.3 | Very low | 113 Ų | 113 | 80.5 Ų | 80.5 | 60% | 0.604 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27.4 | 174.8 | -75.4 | -7.4 | 0 | 0 | 0 | 111.9 | ||
| 989 | N | 42.9 | Very low | 45.7 | Very low | 120 Ų | 120 | 85.8 Ų | 85.8 | 64% | 0.642 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -13.9 | 177.3 | -72 | -16.3 | 0 | 0 | 0 | 114.5 | F987 | F987-N989 PolarHBondContact O-N 3.46Š|
| 990 | F | 40.6 | Very low | 43.1 | Very low | 108 Ų | 108 | 87.7 Ų | 87.7 | 47% | 0.474 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -13.2 | -178.9 | -87.2 | -76.4 | 0 | 0 | 0 | 113.9 | F987 G992 V1246 | F987-F990 PolarHBondContact O-N 2.87Å; F990-G992 VanDerWaalsContact C-N 3.33Å; F990-G992 PolarHBondContact O-N 3.42Å; F990-V1246 HydrophobicContact CB-CG1 4.08Å |
| 991 | G | 32.1 | Very low | 40.8 | Very low | 53 Ų | 53 | 91.3 Ų | 91.3 | 55% | 0.546 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80 | 2.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 992 | G | 31.5 | Very low | 38.7 | Very low | 65 Ų | 65 | 99.2 Ų | 99.2 | 67% | 0.67 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -6.4 | -167 | 0 | 0 | 0 | 0 | 0 | 118.5 | F990 | F990-G992 VanDerWaalsContact C-N 3.33Å; F990-G992 PolarHBondContact O-N 3.42Å |
| 993 | N | 30.9 | Very low | 36.7 | Very low | 161 Ų | 161 | 103 Ų | 103 | 86% | 0.861 | 61% | 0.614 | S | S | * | * | trans | -130.8 | 37.3 | -162.2 | -96.1 | -10.5 | 0 | 0 | 0 | 117.2 | ||||
| 994 | S | 27.8 | Very low | 34.7 | Very low | 107 Ų | 107 | 107.1 Ų | 107.1 | 75% | 0.748 | 64% | 0.641 | S | S | * | * | trans | -122 | 64.9 | 177 | 69.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 995 | N | 29.6 | Very low | 33.3 | Very low | 169 Ų | 169 | 111.8 Ų | 111.8 | 90% | 0.904 | 66% | 0.663 | S | S | * | * | trans | -144.6 | 38.4 | 166.1 | -91.6 | -22 | 0 | 0 | 0 | 113 | ||||
| 996 | Q | 31.6 | Very low | 32 | Very low | 196 Ų | 196 | 116.6 Ų | 116.6 | 92% | 0.916 | 68% | 0.679 | S | S | * | * | trans | -114.2 | 108.7 | 161.5 | -75.2 | -171.1 | 8 | 0 | 0 | 110.7 | ||||
| 997 | S | 25.5 | Very low | 30.7 | Very low | 102 Ų | 102 | 122.2 Ų | 122.2 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | trans | -61.8 | 137.6 | 175.8 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 998 | H | 27.1 | Very low | 30.2 | Very low | 188 Ų | 188 | 124.6 Ų | 124.6 | 87% | 0.87 | 74% | 0.742 | S | S | * | * | trans | 44.9 | 89.5 | 145.5 | -60 | -60.2 | 0 | 0 | 0 | 118.9 | ||||
| 999 | S | 25.5 | Very low | 30.4 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | -166.1 | 135.9 | 131.2 | 59.3 | 0 | 0 | 0 | 0 | 110.7 | T1001 | S999-T1001 PolarHBondContact O-N 3.09Š| ||
| 1000 | G | 24.6 | Very low | 31 | Very low | 83 Ų | 83 | 120.6 Ų | 120.6 | 86% | 0.856 | 72% | 0.719 | S | S | * | * | trans | -74.7 | 106.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1001 | T | 24.9 | Very low | 32 | Very low | 114 Ų | 114 | 119 Ų | 119 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | trans | -152 | 138.7 | 154.8 | 31.5 | 0 | 0 | 0 | 0 | 109.7 | S999 S1003 | S999-T1001 PolarHBondContact O-N 3.09Å; T1001-S1003 PolarHBondContact O-N 3.49Å; T1001-S1003 VanDerWaalsContact O-N 3.14Å | ||
| 1002 | K | 26 | Very low | 33.8 | Very low | 221 Ų | 221 | 118.8 Ų | 118.8 | 96% | 0.961 | 71% | 0.707 | S | S | * | * | trans | -50.8 | 111.1 | 174.7 | -60.6 | 166.7 | 178 | 176.3 | 0 | 109.9 | ||||
| 1003 | S | 25.1 | Very low | 35.8 | Very low | 93 Ų | 93 | 121 Ų | 121 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | trans | -145.7 | 103.1 | 175.6 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | T1001 | T1001-S1003 PolarHBondContact O-N 3.49Å; T1001-S1003 VanDerWaalsContact O-N 3.14Å | ||
| 1004 | T | 24.6 | Very low | 37.7 | Very low | 132 Ų | 132 | 114.8 Ų | 114.8 | 81% | 0.81 | 67% | 0.671 | S | S | * | * | trans | 56.8 | 86.5 | 140.5 | 56.7 | 0 | 0 | 0 | 0 | 118.5 | H1006 | T1004-H1006 PolarHBondContact O-N 3.4Š| ||
| 1005 | L | 25.8 | Very low | 40.2 | Very low | 136 Ų | 136 | 109.8 Ų | 109.8 | 71% | 0.712 | 64% | 0.635 | S | S | * | * | trans | -53.5 | 130.6 | 151.8 | -84.3 | 85.7 | 0 | 0 | 0 | 109 | Q1009 | L1005-Q1009 HydrophobicContact CD2-CB 4.38Š| ||
| 1006 | H | 30.2 | Very low | 42.5 | Very low | 152 Ų | 152 | 102.7 Ų | 102.7 | 70% | 0.704 | 60% | 0.597 | S | S | * | * | trans | -53.8 | 139.7 | 164.2 | -91 | -89.6 | 0 | 0 | 0 | 109.8 | T1004 G1008 | T1004-H1006 PolarHBondContact O-N 3.4Å; H1006-G1008 PolarHBondContact O-N 2.95Å | ||
| 1007 | P | 24.5 | Very low | 44.8 | Very low | 134 Ų | 134 | 97.7 Ų | 97.7 | 87% | 0.87 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 91.3 | -176 | 29.9 | -32.4 | 0 | 0 | 0 | 109.3 | ||
| 1008 | G | 40.1 | Very low | 47.3 | Very low | 58 Ų | 58 | 97.1 Ų | 97.1 | 60% | 0.598 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 163.5 | -16.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116 | H1006 V1010 | H1006-G1008 PolarHBondContact O-N 2.95Å; G1008-V1010 PolarHBondContact O-N 2.86Å |
| 1009 | Q | 48.5 | Very low | 49.9 | Very low | 107 Ų | 107 | 88.2 Ų | 88.2 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | trans | -80 | 103.2 | 178.8 | -76.1 | -174.7 | -30 | 0 | 0 | 111.7 | L1005 S1011 | L1005-Q1009 HydrophobicContact CD2-CB 4.38Å; Q1009-S1011 PolarHBondContact O-N 3.34Å | ||
| 1010 | V | 53.8 | Low | 52.5 | Low | 42 Ų | 42 | 84.5 Ų | 84.5 | 26% | 0.255 | 48% | 0.481 | S | S | . | . | trans | -60.2 | 126.3 | 164.6 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | G1008 L1012 L1015 | G1008-V1010 PolarHBondContact O-N 2.86Å; V1010-L1012 PolarHBondContact O-N 2.89Å; V1010-L1012 VanDerWaalsContact O-N 3.17Å; V1010-L1015 HydrophobicContact CG1-CB 4.09Å | ||
| 1011 | S | 63.4 | Low | 55.1 | Low | 75 Ų | 75 | 81 Ų | 81 | 52% | 0.524 | 44% | 0.443 | S | S | . | . | trans | -58.9 | 125 | 175.7 | 62.6 | 0 | 0 | 0 | 0 | 109.3 | Q1009 N1013 D1014 L1015 | Q1009-S1011 PolarHBondContact O-N 3.34Å; S1011-N1013 PolarHBondContact O-N 3.35Å; S1011-N1013 VanDerWaalsContact O-N 3.08Å; S1011-D1014 WeakPolarHBondContact O-CA 3.23Å; S1011-D1014 WeakPolarHBondContact O-CB 3.36Å; S1011-D1014 PolarHBondContact O-N 2.92Å; S1011-D1014 WeakPolarHBondContact OG-CB 3.43Å; S1011-L1015 PolarHBondContact O-N 3.3Å; S1011-L1015 VanDerWaalsContact O-N 3.15Å | ||
| 1012 | L | 69.3 | Low | 57.6 | Low | 49 Ų | 49 | 75.7 Ų | 75.7 | 26% | 0.257 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -49 | -40.6 | -176.1 | -177.8 | 73 | 0 | 0 | 0 | 113 | V1010 D1014 L1015 I1016 F1059 F1250 | V1010-L1012 PolarHBondContact O-N 2.89Å; V1010-L1012 VanDerWaalsContact O-N 3.17Å; L1012-D1014 VanDerWaalsContact C-N 3.27Å; L1012-D1014 PolarHBondContact O-N 3.3Å; L1012-L1015 PolarHBondContact O-N 3.47Å; L1012-I1016 HydrophobicContact CD2-CD1 4.44Å; L1012-I1016 HydrophobicContact CG-CD1 3.98Å; L1012-I1016 VanDerWaalsContact O-CG1 3.29Å; L1012-I1016 WeakPolarHBondContact O-CG1 3.33Å; L1012-I1016 PolarHBondContact O-N 3.16Å; L1012-F1059 HydrophobicContact CD1-CE2 4.48Å; L1012-F1059 HydrophobicContact CD1-CZ 3.9Å; L1012-F1250 HydrophobicContact CD2-CD1 3.84Å; L1012-F1250 HydrophobicContact CD2-CE1 3.69Å |
| 1013 | N | 73.3 | Confident | 60.1 | Low | 110 Ų | 110 | 65.2 Ų | 65.2 | 59% | 0.588 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.8 | -33.6 | 177.3 | -70.1 | -26.5 | 0 | 0 | 0 | 113.3 | S1011 R1017 | S1011-N1013 PolarHBondContact O-N 3.35Å; S1011-N1013 VanDerWaalsContact O-N 3.08Å; N1013-R1017 WeakPolarHBondContact O-CB 3.26Å; N1013-R1017 PolarHBondContact O-N 3.11Å; N1013-R1017 VanDerWaalsContact O-N 3.14Å |
| 1014 | D | 71.2 | Confident | 62.5 | Low | 32 Ų | 32 | 60.8 Ų | 60.8 | 17% | 0.171 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -76.3 | -37.3 | 176.6 | -161.9 | 49.9 | 0 | 0 | 0 | 111.4 | S1011 L1012 R1017 R1018 | S1011-D1014 WeakPolarHBondContact O-CA 3.23Å; S1011-D1014 WeakPolarHBondContact O-CB 3.36Å; S1011-D1014 PolarHBondContact O-N 2.92Å; S1011-D1014 WeakPolarHBondContact OG-CB 3.43Å; L1012-D1014 VanDerWaalsContact C-N 3.27Å; L1012-D1014 PolarHBondContact O-N 3.3Å; D1014-R1017 WeakPolarHBondContact O-CB 3.46Å; D1014-R1017 PolarHBondContact O-N 3.1Å; D1014-R1017 IonicContact OD1-NH1 3.8Å; D1014-R1017 PolarHBondContact OD1-NH1 3.27Å; D1014-R1018 VanDerWaalsContact O-CG 3.32Å; D1014-R1018 WeakPolarHBondContact O-CG 3.42Å; D1014-R1018 PolarHBondContact O-N 2.93Å; D1014-R1018 IonicContact OD2-CZ 2.65Å; D1014-R1018 VanDerWaalsContact OD2-CZ 3.27Å; D1014-R1018 IonicContact OD2-NE 3.44Å; D1014-R1018 PolarHBondContact OD2-NE 3.22Å; D1014-R1018 IonicContact OD2-NH2 3.62Å; D1014-R1018 PolarHBondContact OD2-NH2 3.47Å |
| 1015 | L | 79.3 | Confident | 64.8 | Low | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 172.5 | -175.2 | 61.3 | 0 | 0 | 0 | 111.4 | L974 D977 L978 F981 V1010 S1011 L1012 R1017 R1018 V1019 F1059 | L974-L1015 HydrophobicContact CD1-CD1 3.78Å; D977-L1015 HydrophobicContact CB-CD1 4.34Å; L978-L1015 HydrophobicContact CD2-CD1 4.39Å; F981-L1015 HydrophobicContact CD2-CD2 3.58Å; F981-L1015 HydrophobicContact CE2-CD2 3.56Å; V1010-L1015 HydrophobicContact CG1-CB 4.09Å; S1011-L1015 PolarHBondContact O-N 3.3Å; S1011-L1015 VanDerWaalsContact O-N 3.15Å; L1012-L1015 PolarHBondContact O-N 3.47Å; L1015-R1017 VanDerWaalsContact C-N 3.25Å; L1015-R1017 PolarHBondContact O-N 3.24Å; L1015-R1018 PolarHBondContact O-N 3.49Å; L1015-R1018 VanDerWaalsContact O-N 3.15Å; L1015-V1019 HydrophobicContact CD1-CG2 4.45Å; L1015-V1019 WeakPolarHBondContact O-CB 3.43Å; L1015-V1019 VanDerWaalsContact O-CG2 3.26Å; L1015-V1019 WeakPolarHBondContact O-CG2 3.21Å; L1015-V1019 PolarHBondContact O-N 3.38Å; L1015-F1059 HydrophobicContact CD2-CE1 4.24Å; L1015-F1059 HydrophobicContact CD2-CE2 3.85Å; L1015-F1059 HydrophobicContact CD2-CZ 3.57Å; L1015-F1059 HydrophobicContact CG-CE1 4.15Å; L1015-F1059 HydrophobicContact CG-CZ 3.95Å |
| 1016 | I | 79.2 | Confident | 66.9 | Low | 20 Ų | 20 | 49 Ų | 49 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.2 | -42.2 | 174.9 | -66 | 163.3 | 0 | 0 | 0 | 110.7 | L1012 V1019 K1020 F1059 L1060 V1063 | L1012-I1016 HydrophobicContact CD2-CD1 4.44Å; L1012-I1016 HydrophobicContact CG-CD1 3.98Å; L1012-I1016 VanDerWaalsContact O-CG1 3.29Å; L1012-I1016 WeakPolarHBondContact O-CG1 3.33Å; L1012-I1016 PolarHBondContact O-N 3.16Å; I1016-V1019 PolarHBondContact O-N 2.95Å; I1016-K1020 HydrophobicContact CG2-CD 4.13Å; I1016-K1020 HydrophobicContact CG2-CG 4.49Å; I1016-K1020 WeakPolarHBondContact O-CB 3.27Å; I1016-K1020 VanDerWaalsContact O-CG 3.31Å; I1016-K1020 WeakPolarHBondContact O-CG 3.3Å; I1016-K1020 PolarHBondContact O-N 2.83Å; I1016-F1059 HydrophobicContact CG1-CE1 3.92Å; I1016-F1059 HydrophobicContact CG1-CZ 4.37Å; I1016-L1060 HydrophobicContact CG2-CD2 4.3Å; I1016-V1063 HydrophobicContact CD1-CG1 3.73Å; I1016-V1063 HydrophobicContact CG1-CG1 4.28Å |
| 1017 | R | 78.9 | Confident | 68.6 | Low | 92 Ų | 92 | 42 Ų | 42 | 35% | 0.347 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.1 | -49.2 | 176.7 | -176 | -171.8 | -68 | 123.3 | -2.1 | 111.4 | N1013 D1014 L1015 V1019 K1020 I1021 | N1013-R1017 WeakPolarHBondContact O-CB 3.26Å; N1013-R1017 PolarHBondContact O-N 3.11Å; N1013-R1017 VanDerWaalsContact O-N 3.14Å; D1014-R1017 WeakPolarHBondContact O-CB 3.46Å; D1014-R1017 PolarHBondContact O-N 3.1Å; D1014-R1017 IonicContact OD1-NH1 3.8Å; D1014-R1017 PolarHBondContact OD1-NH1 3.27Å; L1015-R1017 VanDerWaalsContact C-N 3.25Å; L1015-R1017 PolarHBondContact O-N 3.24Å; R1017-V1019 VanDerWaalsContact C-N 3.31Å; R1017-V1019 PolarHBondContact O-N 3.46Å; R1017-K1020 PolarHBondContact O-N 3.45Å; R1017-I1021 HydrophobicContact CG-CD1 3.97Å; R1017-I1021 VanDerWaalsContact O-CG1 3.32Å; R1017-I1021 WeakPolarHBondContact O-CG1 3.49Å; R1017-I1021 PolarHBondContact O-N 3.31Å |
| 1018 | R | 77.4 | Confident | 70.5 | Confident | 90 Ų | 90 | 37.8 Ų | 37.8 | 34% | 0.34 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60 | -40.6 | 178.6 | -69.9 | 174.3 | -166.8 | -167.8 | 4.4 | 112 | L974 D1014 L1015 I1021 C1022 | L974-R1018 HydrophobicContact CD1-CB 4.18Å; D1014-R1018 VanDerWaalsContact O-CG 3.32Å; D1014-R1018 WeakPolarHBondContact O-CG 3.42Å; D1014-R1018 PolarHBondContact O-N 2.93Å; D1014-R1018 IonicContact OD2-CZ 2.65Å; D1014-R1018 VanDerWaalsContact OD2-CZ 3.27Å; D1014-R1018 IonicContact OD2-NE 3.44Å; D1014-R1018 PolarHBondContact OD2-NE 3.22Å; D1014-R1018 IonicContact OD2-NH2 3.62Å; D1014-R1018 PolarHBondContact OD2-NH2 3.47Å; L1015-R1018 PolarHBondContact O-N 3.49Å; L1015-R1018 VanDerWaalsContact O-N 3.15Å; R1018-I1021 PolarHBondContact O-N 2.56Å; R1018-C1022 WeakPolarHBondContact O-CB 3.09Å; R1018-C1022 PolarHBondContact O-N 3.48Å |
| 1019 | V | 81.7 | Confident | 71.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 175.4 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | L978 L1015 I1016 R1017 I1021 C1022 L1023 A1056 F1059 L1060 | L978-V1019 HydrophobicContact CD1-CG2 4.31Å; L978-V1019 HydrophobicContact CD2-CG2 3.68Å; L978-V1019 HydrophobicContact CG-CG2 4.48Å; L1015-V1019 HydrophobicContact CD1-CG2 4.45Å; L1015-V1019 WeakPolarHBondContact O-CB 3.43Å; L1015-V1019 VanDerWaalsContact O-CG2 3.26Å; L1015-V1019 WeakPolarHBondContact O-CG2 3.21Å; L1015-V1019 PolarHBondContact O-N 3.38Å; I1016-V1019 PolarHBondContact O-N 2.95Å; R1017-V1019 VanDerWaalsContact C-N 3.31Å; R1017-V1019 PolarHBondContact O-N 3.46Å; V1019-I1021 VanDerWaalsContact C-N 3.32Å; V1019-I1021 PolarHBondContact O-N 3.48Å; V1019-C1022 WeakPolarHBondContact O-CB 3.04Å; V1019-C1022 PolarHBondContact O-N 3.36Å; V1019-L1023 HydrophobicContact CG1-CD1 4.16Å; V1019-L1023 WeakPolarHBondContact O-CG 3.43Å; V1019-L1023 PolarHBondContact O-N 2.84Å; V1019-A1056 HydrophobicContact CG1-CB 3.85Å; V1019-F1059 HydrophobicContact CG1-CD1 4.43Å; V1019-F1059 HydrophobicContact CG2-CD1 4.01Å; V1019-F1059 HydrophobicContact CG2-CE1 4.31Å; V1019-L1060 HydrophobicContact CG1-CD1 4.06Å; V1019-L1060 HydrophobicContact CG1-CD2 4.07Å; V1019-L1060 HydrophobicContact CG1-CG 3.77Å |
| 1020 | K | 81.1 | Confident | 72.5 | Confident | 34 Ų | 34 | 35 Ų | 35 | 15% | 0.148 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -40.4 | 176.2 | -73.5 | 179.5 | 177.8 | -176.9 | 0 | 112 | I1016 R1017 C1024 L1036 E1065 F1068 | I1016-K1020 HydrophobicContact CG2-CD 4.13Å; I1016-K1020 HydrophobicContact CG2-CG 4.49Å; I1016-K1020 WeakPolarHBondContact O-CB 3.27Å; I1016-K1020 VanDerWaalsContact O-CG 3.31Å; I1016-K1020 WeakPolarHBondContact O-CG 3.3Å; I1016-K1020 PolarHBondContact O-N 2.83Å; R1017-K1020 PolarHBondContact O-N 3.45Å; K1020-C1024 WeakPolarHBondContact O-CB 3.45Å; K1020-C1024 PolarHBondContact O-N 3.29Å; K1020-C1024 PolarHBondContact O-SG 3.44Å; K1020-L1036 HydrophobicContact CB-CD1 4.39Å; K1020-E1065 IonicContact NZ-OE2 3.68Å; K1020-E1065 PolarHBondContact NZ-OE2 3.42Å; K1020-F1068 HydrophobicContact CB-CE1 4.13Å; K1020-F1068 HydrophobicContact CB-CE2 4.02Å; K1020-F1068 HydrophobicContact CB-CZ 3.7Å; K1020-F1068 HydrophobicContact CD-CD2 3.97Å; K1020-F1068 HydrophobicContact CD-CE2 4.07Å; K1020-F1068 HydrophobicContact CD-CG 4.28Å; K1020-F1068 HydrophobicContact CD-CZ 4.45Å; K1020-F1068 HydrophobicContact CG-CD1 4.04Å; K1020-F1068 HydrophobicContact CG-CD2 4.06Å; K1020-F1068 HydrophobicContact CG-CE1 3.83Å; K1020-F1068 HydrophobicContact CG-CE2 3.87Å; K1020-F1068 HydrophobicContact CG-CG 4.14Å; K1020-F1068 HydrophobicContact CG-CZ 3.75Å |
| 1021 | I | 78.4 | Confident | 72.7 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 5% | 0.051 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -48.8 | 174.6 | -68.9 | 166.2 | 0 | 0 | 0 | 110.3 | R1017 R1018 V1019 L1023 C1024 Y1025 A1033 L1036 E1037 I1046 | R1017-I1021 HydrophobicContact CG-CD1 3.97Å; R1017-I1021 VanDerWaalsContact O-CG1 3.32Å; R1017-I1021 WeakPolarHBondContact O-CG1 3.49Å; R1017-I1021 PolarHBondContact O-N 3.31Å; R1018-I1021 PolarHBondContact O-N 2.56Å; V1019-I1021 VanDerWaalsContact C-N 3.32Å; V1019-I1021 PolarHBondContact O-N 3.48Å; I1021-L1023 VanDerWaalsContact C-N 3.35Å; I1021-L1023 PolarHBondContact O-N 3.13Å; I1021-C1024 WeakPolarHBondContact O-CB 3.32Å; I1021-C1024 PolarHBondContact O-N 2.98Å; I1021-Y1025 HydrophobicContact CG2-CD2 3.65Å; I1021-Y1025 HydrophobicContact CG2-CE2 3.44Å; I1021-Y1025 VanDerWaalsContact CG2-CE2 3.44Å; I1021-Y1025 VanDerWaalsContact O-CD2 3.23Å; I1021-Y1025 WeakPolarHBondContact O-CD2 3.37Å; I1021-Y1025 PolarHBondContact O-N 3.31Å; I1021-A1033 HydrophobicContact CG2-CB 4.38Å; I1021-L1036 HydrophobicContact CD1-CB 4.18Å; I1021-L1036 HydrophobicContact CG1-CB 3.72Å; I1021-E1037 HydrophobicContact CD1-CG 3.99Å; I1021-I1046 HydrophobicContact CG2-CD1 4.06Å |
| 1022 | C | 78.9 | Confident | 72.6 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.7 | -46.4 | 177.6 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | L974 R1018 V1019 Y1025 A1026 L1048 | L974-C1022 HydrophobicContact CD2-CB 4.38Å; R1018-C1022 WeakPolarHBondContact O-CB 3.09Å; R1018-C1022 PolarHBondContact O-N 3.48Å; V1019-C1022 WeakPolarHBondContact O-CB 3.04Å; V1019-C1022 PolarHBondContact O-N 3.36Å; C1022-Y1025 PolarHBondContact O-N 2.95Å; C1022-A1026 PolarHBondContact O-N 3.38Å; C1022-L1048 VanDerWaalsContact SG-CD2 3.56Å |
| 1023 | L | 77.7 | Confident | 72.2 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.3 | -35 | 178.5 | -69.3 | 174.1 | 0 | 0 | 0 | 112.9 | V1019 I1021 A1026 A1027 I1053 A1056 T1057 L1060 F1068 L1069 | V1019-L1023 HydrophobicContact CG1-CD1 4.16Å; V1019-L1023 WeakPolarHBondContact O-CG 3.43Å; V1019-L1023 PolarHBondContact O-N 2.84Å; I1021-L1023 VanDerWaalsContact C-N 3.35Å; I1021-L1023 PolarHBondContact O-N 3.13Å; L1023-A1026 PolarHBondContact O-N 3.44Å; L1023-A1027 VanDerWaalsContact O-CB 3.24Å; L1023-A1027 WeakPolarHBondContact O-CB 3.16Å; L1023-A1027 PolarHBondContact O-N 3.15Å; L1023-I1053 HydrophobicContact CD2-CG2 4.15Å; L1023-A1056 HydrophobicContact CD1-CB 4.5Å; L1023-A1056 HydrophobicContact CD2-CB 4.12Å; L1023-A1056 HydrophobicContact CG-CB 4.24Å; L1023-T1057 HydrophobicContact CD1-CG2 4.42Å; L1023-T1057 HydrophobicContact CD2-CG2 3.87Å; L1023-L1060 HydrophobicContact CD1-CD1 3.45Å; L1023-L1060 VanDerWaalsContact CD1-CD1 3.45Å; L1023-L1060 HydrophobicContact CD1-CG 4.45Å; L1023-F1068 HydrophobicContact CB-CE1 4.15Å; L1023-F1068 HydrophobicContact CD1-CE1 4.1Å; L1023-L1069 HydrophobicContact CD1-CD2 4.14Å |
| 1024 | C | 75.7 | Confident | 71.6 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 172.6 | -77.5 | 0 | 0 | 0 | 0 | 112 | K1020 I1021 A1027 G1028 L1029 A1033 | K1020-C1024 WeakPolarHBondContact O-CB 3.45Å; K1020-C1024 PolarHBondContact O-N 3.29Å; K1020-C1024 PolarHBondContact O-SG 3.44Å; I1021-C1024 WeakPolarHBondContact O-CB 3.32Å; I1021-C1024 PolarHBondContact O-N 2.98Å; C1024-A1027 PolarHBondContact O-N 3.17Å; C1024-G1028 PolarHBondContact O-N 2.92Å; C1024-L1029 PolarHBondContact O-N 2.93Å; C1024-A1033 HydrophobicContact CB-CB 3.98Å |
| 1025 | Y | 73.1 | Confident | 71 | Confident | 20 Ų | 20 | 34 Ų | 34 | 8% | 0.078 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.5 | -42.7 | 174.8 | -79.8 | -68.6 | 0 | 0 | 0 | 111.9 | V864 I1021 C1022 A1027 G1028 A1033 E1037 I1046 | V864-Y1025 HydrophobicContact CG1-CD1 4.13Å; I1021-Y1025 HydrophobicContact CG2-CD2 3.65Å; I1021-Y1025 HydrophobicContact CG2-CE2 3.44Å; I1021-Y1025 VanDerWaalsContact CG2-CE2 3.44Å; I1021-Y1025 VanDerWaalsContact O-CD2 3.23Å; I1021-Y1025 WeakPolarHBondContact O-CD2 3.37Å; I1021-Y1025 PolarHBondContact O-N 3.31Å; C1022-Y1025 PolarHBondContact O-N 2.95Å; Y1025-A1027 VanDerWaalsContact C-N 3.26Å; Y1025-A1027 PolarHBondContact O-N 3.3Å; Y1025-G1028 PolarHBondContact O-N 3.27Å; Y1025-A1033 HydrophobicContact CD1-CB 4.48Å; Y1025-A1033 HydrophobicContact CD2-CB 3.89Å; Y1025-A1033 HydrophobicContact CE1-CB 4.18Å; Y1025-A1033 HydrophobicContact CE2-CB 3.57Å; Y1025-A1033 HydrophobicContact CG-CB 4.35Å; Y1025-E1037 WeakPolarHBondContact CE2-OE1 3.4Å; Y1025-E1037 PolarHBondContact OH-OE1 2.86Å; Y1025-I1046 HydrophobicContact CD2-CD1 3.5Å; Y1025-I1046 VanDerWaalsContact CD2-CD1 3.5Å; Y1025-I1046 HydrophobicContact CE2-CD1 3.51Å; Y1025-I1046 HydrophobicContact CG-CD1 4.45Å |
| 1026 | A | 70.5 | Confident | 70.1 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -35.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C1022 L1023 G1028 L1048 I1053 | C1022-A1026 PolarHBondContact O-N 3.38Å; L1023-A1026 PolarHBondContact O-N 3.44Å; A1026-G1028 VanDerWaalsContact C-N 3.26Å; A1026-G1028 PolarHBondContact O-N 3.42Å; A1026-L1048 HydrophobicContact CB-CD1 4.13Å; A1026-I1053 HydrophobicContact CB-CD1 3.85Å; A1026-I1053 HydrophobicContact CB-CG1 4.2Å |
| 1027 | A | 64.6 | Low | 69.2 | Low | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.033 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -3.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1023 C1024 Y1025 L1029 L1081 I1086 | L1023-A1027 VanDerWaalsContact O-CB 3.24Å; L1023-A1027 WeakPolarHBondContact O-CB 3.16Å; L1023-A1027 PolarHBondContact O-N 3.15Å; C1024-A1027 PolarHBondContact O-N 3.17Å; Y1025-A1027 VanDerWaalsContact C-N 3.26Å; Y1025-A1027 PolarHBondContact O-N 3.3Å; A1027-L1029 VanDerWaalsContact C-N 3.3Å; A1027-L1029 HydrophobicContact CB-CD1 4.03Å; A1027-L1029 HydrophobicContact CB-CG 4.26Å; A1027-L1029 PolarHBondContact O-N 3Å; A1027-L1081 HydrophobicContact CB-CD2 3.71Å; A1027-I1086 HydrophobicContact CB-CD1 3.82Å; A1027-I1086 HydrophobicContact CB-CG2 4.22Å; A1027-I1086 WeakPolarHBondContact O-CG2 3.44Å |
| 1028 | G | 64.7 | Low | 68.2 | Low | 47 Ų | 47 | 35.3 Ų | 35.3 | 49% | 0.485 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 15.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | C1024 Y1025 A1026 S1030 | C1024-G1028 PolarHBondContact O-N 2.92Å; Y1025-G1028 PolarHBondContact O-N 3.27Å; A1026-G1028 VanDerWaalsContact C-N 3.26Å; A1026-G1028 PolarHBondContact O-N 3.42Å; G1028-S1030 PolarHBondContact O-N 3.27Å |
| 1029 | L | 67.2 | Low | 66.6 | Low | 40 Ų | 40 | 40.9 Ų | 40.9 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | trans | -98.3 | 64.6 | -177.1 | -64.3 | 167.1 | 0 | 0 | 0 | 111.5 | C1024 A1027 S1031 N1032 A1033 L1081 P1082 | C1024-L1029 PolarHBondContact O-N 2.93Å; A1027-L1029 VanDerWaalsContact C-N 3.3Å; A1027-L1029 HydrophobicContact CB-CD1 4.03Å; A1027-L1029 HydrophobicContact CB-CG 4.26Å; A1027-L1029 PolarHBondContact O-N 3Å; L1029-S1031 PolarHBondContact O-N 3.26Å; L1029-N1032 HydrophobicContact CB-CB 4.29Å; L1029-N1032 PolarHBondContact O-N 3.2Å; L1029-N1032 VanDerWaalsContact O-N 3.12Å; L1029-A1033 PolarHBondContact O-N 3.25Å; L1029-L1081 HydrophobicContact CD1-CD2 3.92Å; L1029-P1082 VanDerWaalsContact CD1-CD 3.42Å; L1029-P1082 HydrophobicContact CD1-CG 3.94Å; L1029-P1082 HydrophobicContact CD2-CG 4.49Å | ||
| 1030 | S | 63.2 | Low | 64.6 | Low | 67 Ų | 67 | 49.5 Ų | 49.5 | 47% | 0.469 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.8 | -30.2 | -178.1 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | G1028 N1032 A1033 N1034 | G1028-S1030 PolarHBondContact O-N 3.27Å; S1030-N1032 PolarHBondContact O-N 3.39Å; S1030-A1033 PolarHBondContact O-N 3.29Å; S1030-N1034 WeakPolarHBondContact O-CB 3.46Å; S1030-N1034 PolarHBondContact O-N 3.02Å; S1030-N1034 PolarHBondContact O-ND2 3.34Å; S1030-N1034 PolarHBondContact O-OD1 3.29Å |
| 1031 | S | 58.6 | Low | 63.1 | Low | 74 Ų | 74 | 51.4 Ų | 51.4 | 52% | 0.517 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 176 | 56.8 | 0 | 0 | 0 | 0 | 113 | L1029 S1035 | L1029-S1031 PolarHBondContact O-N 3.26Å; S1031-S1035 PolarHBondContact O-N 3.49Å |
| 1032 | N | 60.4 | Low | 61.5 | Low | 44 Ų | 44 | 54.7 Ų | 54.7 | 24% | 0.235 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75.9 | -38.5 | -178.3 | -67.9 | 14.2 | 0 | 0 | 0 | 110 | L1029 S1030 S1035 L1036 I1079 | L1029-N1032 HydrophobicContact CB-CB 4.29Å; L1029-N1032 PolarHBondContact O-N 3.2Å; L1029-N1032 VanDerWaalsContact O-N 3.12Å; S1030-N1032 PolarHBondContact O-N 3.39Å; N1032-S1035 PolarHBondContact O-N 2.99Å; N1032-S1035 PolarHBondContact O-OG 3.41Å; N1032-L1036 PolarHBondContact O-N 2.96Å; N1032-I1079 HydrophobicContact CB-CG2 4.06Å |
| 1033 | A | 60.7 | Low | 60 | Low | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.6 | -48.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1021 C1024 Y1025 L1029 S1030 S1035 L1036 E1037 | I1021-A1033 HydrophobicContact CG2-CB 4.38Å; C1024-A1033 HydrophobicContact CB-CB 3.98Å; Y1025-A1033 HydrophobicContact CD1-CB 4.48Å; Y1025-A1033 HydrophobicContact CD2-CB 3.89Å; Y1025-A1033 HydrophobicContact CE1-CB 4.18Å; Y1025-A1033 HydrophobicContact CE2-CB 3.57Å; Y1025-A1033 HydrophobicContact CG-CB 4.35Å; L1029-A1033 PolarHBondContact O-N 3.25Å; S1030-A1033 PolarHBondContact O-N 3.29Å; A1033-S1035 PolarHBondContact O-N 2.87Å; A1033-S1035 VanDerWaalsContact O-N 3.16Å; A1033-L1036 WeakPolarHBondContact O-CB 3.46Å; A1033-L1036 PolarHBondContact O-N 2.98Å; A1033-E1037 PolarHBondContact O-N 3.45Å |
| 1034 | N | 60.3 | Low | 59 | Low | 96 Ų | 96 | 65.3 Ų | 65.3 | 51% | 0.513 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -25.1 | 178.3 | -69.1 | -12.5 | 0 | 0 | 0 | 113.8 | S1030 | S1030-N1034 WeakPolarHBondContact O-CB 3.46Å; S1030-N1034 PolarHBondContact O-N 3.02Å; S1030-N1034 PolarHBondContact O-ND2 3.34Å; S1030-N1034 PolarHBondContact O-OD1 3.29Å |
| 1035 | S | 59.1 | Low | 58.4 | Low | 72 Ų | 72 | 67.4 Ų | 67.4 | 50% | 0.503 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -79.8 | -23.9 | 175.7 | 74.4 | 0 | 0 | 0 | 0 | 113.5 | S1031 N1032 A1033 I1079 | S1031-S1035 PolarHBondContact O-N 3.49Å; N1032-S1035 PolarHBondContact O-N 2.99Å; N1032-S1035 PolarHBondContact O-OG 3.41Å; A1033-S1035 PolarHBondContact O-N 2.87Å; A1033-S1035 VanDerWaalsContact O-N 3.16Å; S1035-I1079 VanDerWaalsContact OG-CD1 3.24Å; S1035-I1079 WeakPolarHBondContact OG-CD1 3.46Å |
| 1036 | L | 60.5 | Low | 58.1 | Low | 35 Ų | 35 | 68.3 Ų | 68.3 | 18% | 0.183 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -86.1 | -27.6 | 175.2 | -79.6 | 149.1 | 0 | 0 | 0 | 112 | K1020 I1021 N1032 A1033 I1079 | K1020-L1036 HydrophobicContact CB-CD1 4.39Å; I1021-L1036 HydrophobicContact CD1-CB 4.18Å; I1021-L1036 HydrophobicContact CG1-CB 3.72Å; N1032-L1036 PolarHBondContact O-N 2.96Å; A1033-L1036 WeakPolarHBondContact O-CB 3.46Å; A1033-L1036 PolarHBondContact O-N 2.98Å; L1036-I1079 HydrophobicContact CD1-CD1 4.39Å; L1036-I1079 HydrophobicContact CD1-CG2 4.02Å; L1036-I1079 HydrophobicContact CD2-CD1 4.32Å; L1036-I1079 HydrophobicContact CG-CD1 3.91Å |
| 1037 | E | 60.5 | Low | 58.1 | Low | 27 Ų | 27 | 68.3 Ų | 68.3 | 13% | 0.126 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -69.6 | 130.9 | 176 | -75.7 | 178.7 | -165.2 | 0 | 0 | 111.6 | I1021 Y1025 A1033 | I1021-E1037 HydrophobicContact CD1-CG 3.99Å; Y1025-E1037 WeakPolarHBondContact CE2-OE1 3.4Å; Y1025-E1037 PolarHBondContact OH-OE1 2.86Å; A1033-E1037 PolarHBondContact O-N 3.45Å |
| 1038 | T | 57.5 | Low | 58.6 | Low | 78 Ų | 78 | 68.2 Ų | 68.2 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | trans | -74.5 | 150.8 | 168.5 | 63.8 | 0 | 0 | 0 | 0 | 109.5 | M1040 E1041 | T1038-M1040 PolarHBondContact O-N 3.24Å; T1038-E1041 PolarHBondContact O-N 2.89Å | ||
| 1039 | K | 44.9 | Very low | 59.2 | Low | 207 Ų | 207 | 66.2 Ų | 66.2 | 90% | 0.9 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -11.9 | -176 | -82.7 | -177 | 176.2 | 178.9 | 0 | 116.2 | ||
| 1040 | M | 38.4 | Very low | 59.5 | Low | 182 Ų | 182 | 68.2 Ų | 68.2 | 90% | 0.897 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -13.2 | 178.8 | -104.6 | 172 | 75.3 | 0 | 0 | 114.8 | T1038 | T1038-M1040 PolarHBondContact O-N 3.24Š|
| 1041 | E | 50.1 | Low | 60.1 | Low | 73 Ų | 73 | 67 Ų | 67 | 34% | 0.341 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -107.7 | -1.1 | -171.9 | -69.9 | 177.9 | 148 | 0 | 0 | 115.1 | T1038 M1043 N1044 | T1038-E1041 PolarHBondContact O-N 2.89Å; E1041-M1043 PolarHBondContact O-N 3.39Å; E1041-N1044 PolarHBondContact O-ND2 3.29Å |
| 1042 | S | 45.5 | Very low | 61.3 | Low | 80 Ų | 80 | 63.5 Ų | 63.5 | 56% | 0.559 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 18.4 | -163.1 | 58.2 | 0 | 0 | 0 | 0 | 118.2 | ||
| 1043 | M | 46.4 | Very low | 62.2 | Low | 174 Ų | 174 | 61.4 Ų | 61.4 | 86% | 0.857 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.7 | 21.7 | -175 | -101.8 | -174.2 | 167.4 | 0 | 0 | 114.4 | E1041 | E1041-M1043 PolarHBondContact O-N 3.39Š|
| 1044 | N | 56.5 | Low | 63 | Low | 50 Ų | 50 | 61.4 Ų | 61.4 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | trans | -112 | 117.1 | -165.6 | -73 | -49.6 | 0 | 0 | 0 | 113.2 | R970 E1041 | R970-N1044 PolarHBondContact NH1-OD1 2.93Å; R970-N1044 PolarHBondContact NH2-OD1 3.16Å; R970-N1044 VanDerWaalsContact NH2-OD1 3.14Å; E1041-N1044 PolarHBondContact O-ND2 3.29Å | ||
| 1045 | L | 62.8 | Low | 64 | Low | 44 Ų | 44 | 56.9 Ų | 56.9 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | trans | -62 | 135.6 | 167.8 | -71.3 | 147.9 | 0 | 0 | 0 | 110.1 | I863 Q963 A967 | I863-L1045 HydrophobicContact CG2-CB 3.86Å; I863-L1045 HydrophobicContact CG2-CD2 3.48Å; I863-L1045 VanDerWaalsContact CG2-CD2 3.48Å; I863-L1045 HydrophobicContact CG2-CG 4.17Å; Q963-L1045 HydrophobicContact CB-CD1 3.74Å; Q963-L1045 HydrophobicContact CG-CD1 4.29Å; A967-L1045 HydrophobicContact CB-CB 4.38Å | ||
| 1046 | I | 66.9 | Low | 65.1 | Low | 39 Ų | 39 | 53.5 Ų | 53.5 | 20% | 0.2 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131 | 174.9 | -63.8 | 173.4 | 0 | 0 | 0 | 108.1 | V864 I1021 Y1025 L1048 | V864-I1046 PolarHBondContact N-O 3.46Å; V864-I1046 PolarHBondContact O-N 3.12Å; I1021-I1046 HydrophobicContact CG2-CD1 4.06Å; Y1025-I1046 HydrophobicContact CD2-CD1 3.5Å; Y1025-I1046 VanDerWaalsContact CD2-CD1 3.5Å; Y1025-I1046 HydrophobicContact CE2-CD1 3.51Å; Y1025-I1046 HydrophobicContact CG-CD1 4.45Å; I1046-L1048 HydrophobicContact CG2-CD2 4.21Å |
| 1047 | A | 71.9 | Confident | 66 | Low | 2 Ų | 2 | 51.8 Ų | 51.8 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 136.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | L861 E862 I863 A967 H971 | L861-A1047 HydrophobicContact CB-CB 4.03Å; L861-A1047 HydrophobicContact CD1-CB 3.91Å; E862-A1047 WeakPolarHBondContact O-CA 3.44Å; I863-A1047 HydrophobicContact CG1-CB 4.28Å; A967-A1047 HydrophobicContact CB-CB 4.03Å; H971-A1047 HydrophobicContact CB-CB 4.04Å; H971-A1047 PolarHBondContact CD2-O 3.42Å |
| 1048 | L | 74.4 | Confident | 66.8 | Low | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 141.8 | -177.6 | -64.4 | 172.5 | 0 | 0 | 0 | 110.6 | E862 V864 C1022 A1026 I1046 V1090 | E862-L1048 PolarHBondContact N-O 2.95Å; E862-L1048 PolarHBondContact O-N 3.15Å; V864-L1048 HydrophobicContact CG2-CD1 3.82Å; C1022-L1048 VanDerWaalsContact SG-CD2 3.56Å; A1026-L1048 HydrophobicContact CB-CD1 4.13Å; I1046-L1048 HydrophobicContact CG2-CD2 4.21Å; L1048-V1090 HydrophobicContact CD1-CG1 4.4Å |
| 1049 | S | 77.4 | Confident | 67.9 | Low | 6 Ų | 6 | 46.8 Ų | 46.8 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | trans | -132.5 | 159.9 | 168 | 76.3 | 0 | 0 | 0 | 0 | 110.8 | H971 E1051 L1052 I1053 | H971-S1049 VanDerWaalsContact NE2-CB 3.28Å; H971-S1049 WeakPolarHBondContact NE2-CB 3.4Å; H971-S1049 PolarHBondContact NE2-OG 3.48Å; S1049-E1051 VanDerWaalsContact C-N 3.26Å; S1049-E1051 PolarHBondContact O-N 3.26Å; S1049-L1052 PolarHBondContact O-N 3.37Å; S1049-L1052 WeakPolarHBondContact OG-CB 3.3Å; S1049-L1052 PolarHBondContact OG-N 3.4Å; S1049-L1052 VanDerWaalsContact OG-N 3.1Å; S1049-I1053 WeakPolarHBondContact O-CG1 3.34Å; S1049-I1053 PolarHBondContact O-N 3Å; S1049-I1053 VanDerWaalsContact O-N 3.14Å | ||
| 1050 | K | 74.3 | Confident | 69.6 | Low | 81 Ų | 81 | 37 Ų | 37 | 35% | 0.352 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57 | -40 | 173.4 | -66 | 179.9 | 176.5 | -178.5 | 0 | 112 | T1054 C1092 S1222 | K1050-T1054 WeakPolarHBondContact O-CB 3.45Å; K1050-T1054 PolarHBondContact O-N 2.9Å; K1050-T1054 VanDerWaalsContact O-N 3.13Å; K1050-T1054 PolarHBondContact O-OG1 2.98Å; K1050-C1092 HydrophobicContact CG-CB 3.88Å; K1050-S1222 PolarHBondContact NZ-OG 3.34Å; K1050-S1222 VanDerWaalsContact NZ-OG 3.1Å |
| 1051 | E | 75.6 | Confident | 71.4 | Confident | 42 Ų | 42 | 28.3 Ų | 28.3 | 20% | 0.196 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.7 | -45.8 | 178.6 | -70.4 | 154.6 | -161.5 | 0 | 0 | 111.5 | F757 Y857 L975 S1049 I1053 T1054 A1055 | F757-E1051 WeakPolarHBondContact CE1-OE1 3.4Å; Y857-E1051 PolarHBondContact OH-OE2 3.4Å; L975-E1051 HydrophobicContact CD1-CB 4.49Å; S1049-E1051 VanDerWaalsContact C-N 3.26Å; S1049-E1051 PolarHBondContact O-N 3.26Å; E1051-I1053 PolarHBondContact O-N 3.08Å; E1051-T1054 PolarHBondContact O-N 3.43Å; E1051-A1055 WeakPolarHBondContact O-CB 3.3Å; E1051-A1055 PolarHBondContact O-N 3.44Å |
| 1052 | L | 82.5 | Confident | 72.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 180 | 179 | 64.9 | 0 | 0 | 0 | 111.8 | L974 L975 L978 S1049 T1054 A1056 | L974-L1052 HydrophobicContact CB-CD1 4.34Å; L974-L1052 HydrophobicContact CD2-CD1 3.95Å; L974-L1052 HydrophobicContact CD2-CD2 4.29Å; L974-L1052 HydrophobicContact CG-CD1 3.95Å; L975-L1052 HydrophobicContact CB-CD1 4.27Å; L975-L1052 HydrophobicContact CD1-CD1 4.45Å; L978-L1052 HydrophobicContact CD1-CD1 3.81Å; S1049-L1052 PolarHBondContact O-N 3.37Å; S1049-L1052 WeakPolarHBondContact OG-CB 3.3Å; S1049-L1052 PolarHBondContact OG-N 3.4Å; S1049-L1052 VanDerWaalsContact OG-N 3.1Å; L1052-T1054 VanDerWaalsContact C-N 3.31Å; L1052-T1054 PolarHBondContact O-N 2.99Å; L1052-A1056 WeakPolarHBondContact O-CB 3.41Å; L1052-A1056 PolarHBondContact O-N 3.2Å |
| 1053 | I | 81.1 | Confident | 73.6 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 178.5 | -65.7 | 170.1 | 0 | 0 | 0 | 110.1 | L1023 A1026 S1049 E1051 A1056 T1057 C1092 L1096 | L1023-I1053 HydrophobicContact CD2-CG2 4.15Å; A1026-I1053 HydrophobicContact CB-CD1 3.85Å; A1026-I1053 HydrophobicContact CB-CG1 4.2Å; S1049-I1053 WeakPolarHBondContact O-CG1 3.34Å; S1049-I1053 PolarHBondContact O-N 3Å; S1049-I1053 VanDerWaalsContact O-N 3.14Å; E1051-I1053 PolarHBondContact O-N 3.08Å; I1053-A1056 WeakPolarHBondContact O-CB 3.29Å; I1053-A1056 PolarHBondContact O-N 3.47Å; I1053-T1057 WeakPolarHBondContact O-CG2 3.44Å; I1053-T1057 PolarHBondContact O-N 3.09Å; I1053-T1057 PolarHBondContact O-OG1 3.09Å; I1053-C1092 HydrophobicContact CD1-CB 3.73Å; I1053-L1096 HydrophobicContact CG2-CB 4.48Å |
| 1054 | T | 76.9 | Confident | 74.7 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.3 | -48.6 | 179.7 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | K1050 E1051 L1052 A1056 T1057 C1058 S1095 I1228 I1229 M1232 | K1050-T1054 WeakPolarHBondContact O-CB 3.45Å; K1050-T1054 PolarHBondContact O-N 2.9Å; K1050-T1054 VanDerWaalsContact O-N 3.13Å; K1050-T1054 PolarHBondContact O-OG1 2.98Å; E1051-T1054 PolarHBondContact O-N 3.43Å; L1052-T1054 VanDerWaalsContact C-N 3.31Å; L1052-T1054 PolarHBondContact O-N 2.99Å; T1054-A1056 VanDerWaalsContact C-N 3.32Å; T1054-A1056 PolarHBondContact O-N 3.14Å; T1054-T1057 WeakPolarHBondContact CA-OG1 3.48Å; T1054-T1057 PolarHBondContact O-N 3.29Å; T1054-T1057 PolarHBondContact O-OG1 3.29Å; T1054-C1058 WeakPolarHBondContact O-CB 3.18Å; T1054-C1058 PolarHBondContact O-N 3.49Å; T1054-C1058 PolarHBondContact O-SG 3.46Å; T1054-S1095 WeakPolarHBondContact OG1-CB 3.4Å; T1054-S1095 PolarHBondContact OG1-OG 3.16Å; T1054-I1228 HydrophobicContact CG2-CG2 3.97Å; T1054-I1229 HydrophobicContact CG2-CG1 3.55Å; T1054-M1232 HydrophobicContact CG2-SD 3.96Å |
| 1055 | A | 79.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L975 L978 L982 E1051 C1058 F1059 M1232 | L975-A1055 HydrophobicContact CD1-CB 4.35Å; L978-A1055 HydrophobicContact CB-CB 4.16Å; L978-A1055 HydrophobicContact CD1-CB 4.28Å; L982-A1055 HydrophobicContact CD1-CB 4.05Å; E1051-A1055 WeakPolarHBondContact O-CB 3.3Å; E1051-A1055 PolarHBondContact O-N 3.44Å; A1055-C1058 PolarHBondContact O-N 3.45Å; A1055-F1059 VanDerWaalsContact O-CB 3.24Å; A1055-F1059 WeakPolarHBondContact O-CB 3.47Å; A1055-F1059 PolarHBondContact O-N 2.81Å; A1055-M1232 HydrophobicContact CB-CE 4.28Å |
| 1056 | A | 82.7 | Confident | 75.5 | Confident | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L978 V1019 L1023 L1052 I1053 T1054 L1060 | L978-A1056 HydrophobicContact CD1-CB 4.27Å; V1019-A1056 HydrophobicContact CG1-CB 3.85Å; L1023-A1056 HydrophobicContact CD1-CB 4.5Å; L1023-A1056 HydrophobicContact CD2-CB 4.12Å; L1023-A1056 HydrophobicContact CG-CB 4.24Å; L1052-A1056 WeakPolarHBondContact O-CB 3.41Å; L1052-A1056 PolarHBondContact O-N 3.2Å; I1053-A1056 WeakPolarHBondContact O-CB 3.29Å; I1053-A1056 PolarHBondContact O-N 3.47Å; T1054-A1056 VanDerWaalsContact C-N 3.32Å; T1054-A1056 PolarHBondContact O-N 3.14Å; A1056-L1060 PolarHBondContact O-N 3.21Å |
| 1057 | T | 80.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.4 | -44.1 | 177.2 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | L1023 I1053 T1054 L1060 L1061 L1069 L1096 I1099 | L1023-T1057 HydrophobicContact CD1-CG2 4.42Å; L1023-T1057 HydrophobicContact CD2-CG2 3.87Å; I1053-T1057 WeakPolarHBondContact O-CG2 3.44Å; I1053-T1057 PolarHBondContact O-N 3.09Å; I1053-T1057 PolarHBondContact O-OG1 3.09Å; T1054-T1057 WeakPolarHBondContact CA-OG1 3.48Å; T1054-T1057 PolarHBondContact O-N 3.29Å; T1054-T1057 PolarHBondContact O-OG1 3.29Å; T1057-L1060 PolarHBondContact O-N 2.9Å; T1057-L1061 PolarHBondContact O-N 3.17Å; T1057-L1069 HydrophobicContact CG2-CD2 4.22Å; T1057-L1096 HydrophobicContact CG2-CB 4.34Å; T1057-L1096 HydrophobicContact CG2-CD1 3.5Å; T1057-I1099 HydrophobicContact CG2-CD1 4.45Å; T1057-I1099 VanDerWaalsContact OG1-CD1 3.31Å; T1057-I1099 WeakPolarHBondContact OG1-CD1 3.17Å |
| 1058 | C | 77.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.6 | -38.3 | 178.3 | -68.2 | 0 | 0 | 0 | 0 | 111.8 | L982 T1054 A1055 L1060 L1061 M1062 M1232 I1236 | L982-C1058 HydrophobicContact CD1-CB 4.47Å; L982-C1058 HydrophobicContact CD2-CB 4.44Å; T1054-C1058 WeakPolarHBondContact O-CB 3.18Å; T1054-C1058 PolarHBondContact O-N 3.49Å; T1054-C1058 PolarHBondContact O-SG 3.46Å; A1055-C1058 PolarHBondContact O-N 3.45Å; C1058-L1060 PolarHBondContact O-N 3.45Å; C1058-L1061 WeakPolarHBondContact O-CB 3.49Å; C1058-L1061 PolarHBondContact O-N 3.22Å; C1058-M1062 PolarHBondContact O-N 3.26Å; C1058-M1232 HydrophobicContact CB-CB 4.13Å; C1058-M1232 HydrophobicContact CB-SD 4.16Å; C1058-I1236 HydrophobicContact CB-CD1 3.85Å |
| 1059 | F | 80.9 | Confident | 75.1 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 174 | 177.3 | -97.9 | 0 | 0 | 0 | 112.7 | L978 F981 L1012 L1015 I1016 V1019 A1055 L1061 M1062 V1063 | L978-F1059 HydrophobicContact CD2-CB 3.7Å; L978-F1059 HydrophobicContact CD2-CD1 3.87Å; L978-F1059 HydrophobicContact CD2-CD2 3.89Å; L978-F1059 HydrophobicContact CD2-CE1 4.48Å; L978-F1059 HydrophobicContact CD2-CG 3.54Å; F981-F1059 HydrophobicContact CB-CD2 4.3Å; F981-F1059 HydrophobicContact CB-CE2 4.16Å; F981-F1059 HydrophobicContact CD2-CE2 4.4Å; F981-F1059 HydrophobicContact CG-CE2 4.21Å; L1012-F1059 HydrophobicContact CD1-CE2 4.48Å; L1012-F1059 HydrophobicContact CD1-CZ 3.9Å; L1015-F1059 HydrophobicContact CD2-CE1 4.24Å; L1015-F1059 HydrophobicContact CD2-CE2 3.85Å; L1015-F1059 HydrophobicContact CD2-CZ 3.57Å; L1015-F1059 HydrophobicContact CG-CE1 4.15Å; L1015-F1059 HydrophobicContact CG-CZ 3.95Å; I1016-F1059 HydrophobicContact CG1-CE1 3.92Å; I1016-F1059 HydrophobicContact CG1-CZ 4.37Å; V1019-F1059 HydrophobicContact CG1-CD1 4.43Å; V1019-F1059 HydrophobicContact CG2-CD1 4.01Å; V1019-F1059 HydrophobicContact CG2-CE1 4.31Å; A1055-F1059 VanDerWaalsContact O-CB 3.24Å; A1055-F1059 WeakPolarHBondContact O-CB 3.47Å; A1055-F1059 PolarHBondContact O-N 2.81Å; F1059-L1061 VanDerWaalsContact C-N 3.35Å; F1059-M1062 HydrophobicContact CD2-CE 3.61Å; F1059-M1062 HydrophobicContact CE2-CE 3.7Å; F1059-M1062 WeakPolarHBondContact O-CB 3.33Å; F1059-M1062 PolarHBondContact O-N 2.82Å; F1059-V1063 HydrophobicContact CD1-CG2 4.4Å; F1059-V1063 HydrophobicContact CD2-CG2 4.49Å; F1059-V1063 HydrophobicContact CE1-CG2 4Å; F1059-V1063 HydrophobicContact CE2-CG2 4.09Å; F1059-V1063 HydrophobicContact CZ-CG2 3.82Å; F1059-V1063 WeakPolarHBondContact O-CG2 3.43Å; F1059-V1063 PolarHBondContact O-N 3.42Å |
| 1060 | L | 79.4 | Confident | 74.6 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.9 | -33 | 175.9 | -72.4 | -176.7 | 0 | 0 | 0 | 113.1 | I1016 V1019 L1023 A1056 T1057 C1058 K1064 E1065 F1068 L1069 | I1016-L1060 HydrophobicContact CG2-CD2 4.3Å; V1019-L1060 HydrophobicContact CG1-CD1 4.06Å; V1019-L1060 HydrophobicContact CG1-CD2 4.07Å; V1019-L1060 HydrophobicContact CG1-CG 3.77Å; L1023-L1060 HydrophobicContact CD1-CD1 3.45Å; L1023-L1060 VanDerWaalsContact CD1-CD1 3.45Å; L1023-L1060 HydrophobicContact CD1-CG 4.45Å; A1056-L1060 PolarHBondContact O-N 3.21Å; T1057-L1060 PolarHBondContact O-N 2.9Å; C1058-L1060 PolarHBondContact O-N 3.45Å; L1060-K1064 PolarHBondContact O-N 2.92Å; L1060-E1065 HydrophobicContact CD2-CB 4.38Å; L1060-E1065 PolarHBondContact O-N 3.43Å; L1060-F1068 HydrophobicContact CD1-CD1 3.57Å; L1060-F1068 HydrophobicContact CD1-CE1 4.07Å; L1060-L1069 HydrophobicContact CB-CD1 4.26Å; L1060-L1069 HydrophobicContact CB-CG 4.5Å; L1060-L1069 HydrophobicContact CD1-CD2 4.1Å; L1060-L1069 HydrophobicContact CD1-CG 4.38Å |
| 1061 | L | 76.2 | Confident | 73.7 | Confident | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.8 | -46.4 | 171.4 | -71.3 | 172.7 | 0 | 0 | 0 | 110.9 | T1057 C1058 F1059 V1063 K1064 L1069 I1099 L1103 L1233 I1236 L1268 | T1057-L1061 PolarHBondContact O-N 3.17Å; C1058-L1061 WeakPolarHBondContact O-CB 3.49Å; C1058-L1061 PolarHBondContact O-N 3.22Å; F1059-L1061 VanDerWaalsContact C-N 3.35Å; L1061-V1063 VanDerWaalsContact C-N 3.31Å; L1061-V1063 PolarHBondContact O-N 3.45Å; L1061-K1064 PolarHBondContact O-N 3.21Å; L1061-L1069 HydrophobicContact CD2-CD1 4.03Å; L1061-L1069 HydrophobicContact CG-CD1 4.1Å; L1061-I1099 HydrophobicContact CD1-CD1 4.47Å; L1061-I1099 HydrophobicContact CD1-CG2 3.89Å; L1061-I1099 HydrophobicContact CD2-CG2 4.47Å; L1061-I1099 HydrophobicContact CG-CG2 4.46Å; L1061-L1103 HydrophobicContact CD2-CD1 4.33Å; L1061-L1103 HydrophobicContact CD2-CD2 4.18Å; L1061-L1233 HydrophobicContact CD1-CD2 3.86Å; L1061-I1236 HydrophobicContact CB-CD1 4.24Å; L1061-I1236 HydrophobicContact CD1-CD1 4.43Å; L1061-L1268 HydrophobicContact CD1-CD1 3.97Å; L1061-L1268 HydrophobicContact CD2-CD1 4.09Å |
| 1062 | M | 72.8 | Confident | 72.5 | Confident | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.02 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.4 | -40.6 | 176.6 | -173.8 | -169.1 | 73.7 | 0 | 0 | 112.5 | F981 L982 C1058 F1059 K1064 I1236 I1239 M1243 | F981-M1062 HydrophobicContact CB-CE 4.46Å; L982-M1062 HydrophobicContact CD2-SD 4.18Å; C1058-M1062 PolarHBondContact O-N 3.26Å; F1059-M1062 HydrophobicContact CD2-CE 3.61Å; F1059-M1062 HydrophobicContact CE2-CE 3.7Å; F1059-M1062 WeakPolarHBondContact O-CB 3.33Å; F1059-M1062 PolarHBondContact O-N 2.82Å; M1062-K1064 PolarHBondContact O-N 3.38Å; M1062-I1236 HydrophobicContact CB-CG1 4.48Å; M1062-I1236 HydrophobicContact CB-CG2 4.01Å; M1062-I1236 HydrophobicContact CG-CG2 4.45Å; M1062-I1239 HydrophobicContact SD-CB 4.45Å; M1062-I1239 HydrophobicContact SD-CG2 3.66Å; M1062-M1243 HydrophobicContact CE-SD 4.06Å; M1062-M1243 HydrophobicContact SD-SD 4.16Å |
| 1063 | V | 70.9 | Confident | 70.8 | Confident | 8 Ų | 8 | 21.6 Ų | 21.6 | 5% | 0.048 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 0.6 | 178.4 | 180 | 0 | 0 | 0 | 0 | 112.7 | I1016 F1059 L1061 E1065 F1250 | I1016-V1063 HydrophobicContact CD1-CG1 3.73Å; I1016-V1063 HydrophobicContact CG1-CG1 4.28Å; F1059-V1063 HydrophobicContact CD1-CG2 4.4Å; F1059-V1063 HydrophobicContact CD2-CG2 4.49Å; F1059-V1063 HydrophobicContact CE1-CG2 4Å; F1059-V1063 HydrophobicContact CE2-CG2 4.09Å; F1059-V1063 HydrophobicContact CZ-CG2 3.82Å; F1059-V1063 WeakPolarHBondContact O-CG2 3.43Å; F1059-V1063 PolarHBondContact O-N 3.42Å; L1061-V1063 VanDerWaalsContact C-N 3.31Å; L1061-V1063 PolarHBondContact O-N 3.45Å; V1063-E1065 HydrophobicContact CG1-CG 4.32Å; V1063-E1065 PolarHBondContact O-N 3.36Å; V1063-F1250 HydrophobicContact CG1-CD1 4.49Å; V1063-F1250 HydrophobicContact CG1-CE1 4.33Å; V1063-F1250 HydrophobicContact CG2-CE1 4.33Å |
| 1064 | K | 69.5 | Low | 68.9 | Low | 79 Ų | 79 | 29.5 Ų | 29.5 | 34% | 0.343 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 25.1 | -178.3 | -54 | -169 | 178.4 | -161.6 | 0 | 114.7 | L1060 L1061 M1062 C1066 | L1060-K1064 PolarHBondContact O-N 2.92Å; L1061-K1064 PolarHBondContact O-N 3.21Å; M1062-K1064 PolarHBondContact O-N 3.38Å; K1064-C1066 PolarHBondContact O-N 3.04Å |
| 1065 | E | 68.1 | Low | 67.2 | Low | 30 Ų | 30 | 33.2 Ų | 33.2 | 14% | 0.14 | 19% | 0.185 | C | C | . | . | trans | -90.3 | 49 | 175.4 | -82.2 | -86.6 | 131.4 | 0 | 0 | 111.4 | K1020 L1060 V1063 D1067 F1068 R1256 | K1020-E1065 IonicContact NZ-OE2 3.68Å; K1020-E1065 PolarHBondContact NZ-OE2 3.42Å; L1060-E1065 HydrophobicContact CD2-CB 4.38Å; L1060-E1065 PolarHBondContact O-N 3.43Å; V1063-E1065 HydrophobicContact CG1-CG 4.32Å; V1063-E1065 PolarHBondContact O-N 3.36Å; E1065-D1067 VanDerWaalsContact C-N 3.25Å; E1065-D1067 PolarHBondContact O-N 3.27Å; E1065-F1068 PolarHBondContact O-N 3.5Å; E1065-R1256 IonicContact OE1-CZ 3.79Å; E1065-R1256 IonicContact OE1-NH1 2.69Å; E1065-R1256 PolarHBondContact OE1-NH1 3.46Å; E1065-R1256 IonicContact OE1-NH2 3.9Å; E1065-R1256 PolarHBondContact OE1-NH2 3.03Å | ||
| 1066 | C | 67.6 | Low | 65.5 | Low | 14 Ų | 14 | 39.1 Ų | 39.1 | 10% | 0.095 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.6 | -29.9 | -176.4 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | K1064 F1068 L1069 Y1070 | K1064-C1066 PolarHBondContact O-N 3.04Å; C1066-F1068 PolarHBondContact O-N 3.11Å; C1066-F1068 VanDerWaalsContact O-N 3.11Å; C1066-L1069 PolarHBondContact O-N 2.9Å; C1066-Y1070 PolarHBondContact O-N 3.39Å; C1066-Y1070 VanDerWaalsContact O-N 3.12Å |
| 1067 | D | 64.7 | Low | 63.9 | Low | 59 Ų | 59 | 48.3 Ų | 48.3 | 32% | 0.316 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.8 | -26.3 | 179.3 | -55.6 | -39.2 | 0 | 0 | 0 | 113.1 | E1065 P1071 R1256 | E1065-D1067 VanDerWaalsContact C-N 3.25Å; E1065-D1067 PolarHBondContact O-N 3.27Å; D1067-P1071 WeakPolarHBondContact O-CA 3.25Å; D1067-R1256 WeakPolarHBondContact OD2-CD 3.34Å; D1067-R1256 IonicContact OD2-CZ 3.07Å; D1067-R1256 IonicContact OD2-NE 3.56Å; D1067-R1256 IonicContact OD2-NH1 2.92Å; D1067-R1256 PolarHBondContact OD2-NH1 2.87Å |
| 1068 | F | 70.2 | Confident | 62.6 | Low | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.022 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -76.2 | -37.3 | 177.2 | 179.6 | -98.3 | 0 | 0 | 0 | 112.3 | K1020 L1023 L1060 E1065 C1066 I1079 L1081 | K1020-F1068 HydrophobicContact CB-CE1 4.13Å; K1020-F1068 HydrophobicContact CB-CE2 4.02Å; K1020-F1068 HydrophobicContact CB-CZ 3.7Å; K1020-F1068 HydrophobicContact CD-CD2 3.97Å; K1020-F1068 HydrophobicContact CD-CE2 4.07Å; K1020-F1068 HydrophobicContact CD-CG 4.28Å; K1020-F1068 HydrophobicContact CD-CZ 4.45Å; K1020-F1068 HydrophobicContact CG-CD1 4.04Å; K1020-F1068 HydrophobicContact CG-CD2 4.06Å; K1020-F1068 HydrophobicContact CG-CE1 3.83Å; K1020-F1068 HydrophobicContact CG-CE2 3.87Å; K1020-F1068 HydrophobicContact CG-CG 4.14Å; K1020-F1068 HydrophobicContact CG-CZ 3.75Å; L1023-F1068 HydrophobicContact CB-CE1 4.15Å; L1023-F1068 HydrophobicContact CD1-CE1 4.1Å; L1060-F1068 HydrophobicContact CD1-CD1 3.57Å; L1060-F1068 HydrophobicContact CD1-CE1 4.07Å; E1065-F1068 PolarHBondContact O-N 3.5Å; C1066-F1068 PolarHBondContact O-N 3.11Å; C1066-F1068 VanDerWaalsContact O-N 3.11Å; F1068-I1079 WeakPolarHBondContact CD2-O 3.19Å; F1068-L1081 HydrophobicContact CD1-CD1 4.06Å; F1068-L1081 HydrophobicContact CE1-CD1 3.71Å; F1068-L1081 HydrophobicContact CE1-CG 4.08Å; F1068-L1081 HydrophobicContact CZ-CD1 4.28Å; F1068-L1081 HydrophobicContact CZ-CG 4.15Å; F1068-L1081 WeakPolarHBondContact O-CB 3.07Å; F1068-L1081 PolarHBondContact O-N 3.42Å; F1068-L1081 VanDerWaalsContact O-N 3.15Å |
| 1069 | L | 69.2 | Low | 61.7 | Low | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.6 | -39.6 | -178.8 | -67.5 | 174.8 | 0 | 0 | 0 | 111.5 | L1023 T1057 L1060 L1061 C1066 L1081 L1096 I1099 R1100 L1103 | L1023-L1069 HydrophobicContact CD1-CD2 4.14Å; T1057-L1069 HydrophobicContact CG2-CD2 4.22Å; L1060-L1069 HydrophobicContact CB-CD1 4.26Å; L1060-L1069 HydrophobicContact CB-CG 4.5Å; L1060-L1069 HydrophobicContact CD1-CD2 4.1Å; L1060-L1069 HydrophobicContact CD1-CG 4.38Å; L1061-L1069 HydrophobicContact CD2-CD1 4.03Å; L1061-L1069 HydrophobicContact CG-CD1 4.1Å; C1066-L1069 PolarHBondContact O-N 2.9Å; L1069-L1081 HydrophobicContact CD2-CD1 4.46Å; L1069-L1096 HydrophobicContact CD2-CD1 3.85Å; L1069-I1099 HydrophobicContact CD1-CG2 4.42Å; L1069-R1100 PolarHBondContact O-NE 2.72Å; L1069-L1103 HydrophobicContact CB-CD1 4.05Å; L1069-L1103 HydrophobicContact CD1-CD1 4.31Å |
| 1070 | Y | 67.2 | Low | 60.7 | Low | 37 Ų | 37 | 57.5 Ų | 57.5 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -145 | 101.8 | 178.8 | -172.6 | -93.6 | 0 | 0 | 0 | 110.1 | C1066 M1072 H1104 E1107 | C1066-Y1070 PolarHBondContact O-N 3.39Å; C1066-Y1070 VanDerWaalsContact O-N 3.12Å; Y1070-M1072 HydrophobicContact CD1-CE 4.38Å; Y1070-M1072 HydrophobicContact CD1-SD 4.49Å; Y1070-M1072 HydrophobicContact CE1-CE 4.45Å; Y1070-M1072 HydrophobicContact CE1-SD 4.28Å; Y1070-M1072 PolarHBondContact O-N 3.07Å; Y1070-M1072 VanDerWaalsContact O-N 3.15Å; Y1070-H1104 AromaticContact CE2-CD2 3.94Å; Y1070-H1104 AromaticContact CZ-CD2 3.68Å; Y1070-H1104 PolarHBondContact OH-CD2 2.65Å; Y1070-H1104 PolarHBondContact OH-NE2 2.98Å; Y1070-E1107 WeakPolarHBondContact CE1-OE2 3.44Å; Y1070-E1107 PolarHBondContact OH-OE2 3.18Å |
| 1071 | P | 55.4 | Low | 60 | Low | 29 Ų | 29 | 57.5 Ų | 57.5 | 19% | 0.188 | 32% | 0.323 | C | S | . | . | trans | -73.9 | 108.6 | -178.8 | 27.5 | -33.2 | 0 | 0 | 0 | 111.3 | D1067 L1081 | D1067-P1071 WeakPolarHBondContact O-CA 3.25Å; P1071-L1081 WeakPolarHBondContact CD-O 3.4Å; P1071-L1081 WeakPolarHBondContact CG-O 3.38Å | ||
| 1072 | M | 50.7 | Low | 59.1 | Low | 74 Ų | 74 | 60.4 Ų | 60.4 | 37% | 0.365 | 34% | 0.343 | S | S | . | . | trans | -62.6 | 145 | 164.4 | -65.6 | -78.8 | -174 | 0 | 0 | 109.8 | Y1070 I1074 E1107 | Y1070-M1072 HydrophobicContact CD1-CE 4.38Å; Y1070-M1072 HydrophobicContact CD1-SD 4.49Å; Y1070-M1072 HydrophobicContact CE1-CE 4.45Å; Y1070-M1072 HydrophobicContact CE1-SD 4.28Å; Y1070-M1072 PolarHBondContact O-N 3.07Å; Y1070-M1072 VanDerWaalsContact O-N 3.15Å; M1072-I1074 PolarHBondContact O-N 3.11Å; M1072-E1107 HydrophobicContact CE-CB 3.44Å; M1072-E1107 VanDerWaalsContact CE-CB 3.44Å; M1072-E1107 HydrophobicContact CE-CG 3.42Å; M1072-E1107 VanDerWaalsContact CE-CG 3.42Å; M1072-E1107 HydrophobicContact SD-CB 4.31Å; M1072-E1107 HydrophobicContact SD-CG 3.65Å | ||
| 1073 | S | 47.4 | Very low | 58.1 | Low | 111 Ų | 111 | 64.5 Ų | 64.5 | 78% | 0.776 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -41 | 116.9 | -173.9 | 52.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1074 | I | 40.4 | Very low | 57.3 | Low | 166 Ų | 166 | 66.1 Ų | 66.1 | 85% | 0.851 | 39% | 0.39 | S | S | * | . | trans | 78.2 | 97.5 | 154.8 | -48 | 167.1 | 0 | 0 | 0 | 118.8 | M1072 | M1072-I1074 PolarHBondContact O-N 3.11Š| ||
| 1075 | S | 41 | Very low | 56.5 | Low | 80 Ų | 80 | 67.7 Ų | 67.7 | 56% | 0.559 | 41% | 0.411 | S | S | * | . | -154 | 111.7 | 128.9 | 165.7 | 0 | 0 | 0 | 0 | 107.9 | K1077 | S1075-K1077 PolarHBondContact O-N 3.16Š| |||
| 1076 | S | 43.6 | Very low | 56 | Low | 123 Ų | 123 | 67.2 Ų | 67.2 | 86% | 0.86 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 27.3 | -172.1 | 60 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1077 | K | 49.9 | Very low | 55.1 | Low | 194 Ų | 194 | 71.9 Ų | 71.9 | 84% | 0.843 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130 | -2.7 | -172.1 | -72 | -176.9 | 179 | 176.9 | 0 | 115.5 | S1075 | S1075-K1077 PolarHBondContact O-N 3.16Š|
| 1078 | S | 53.6 | Low | 54.6 | Low | 84 Ų | 84 | 70.6 Ų | 70.6 | 59% | 0.587 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -115.6 | 130.2 | 177.7 | 48.7 | 0 | 0 | 0 | 0 | 112 | S1080 | S1078-S1080 PolarHBondContact O-N 3.11Š|
| 1079 | I | 58.3 | Low | 53.6 | Low | 72 Ų | 72 | 81.8 Ų | 81.8 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | trans | -63.1 | 116.7 | 176.1 | -58.8 | 161.1 | 0 | 0 | 0 | 108.2 | N1032 S1035 L1036 F1068 | N1032-I1079 HydrophobicContact CB-CG2 4.06Å; S1035-I1079 VanDerWaalsContact OG-CD1 3.24Å; S1035-I1079 WeakPolarHBondContact OG-CD1 3.46Å; L1036-I1079 HydrophobicContact CD1-CD1 4.39Å; L1036-I1079 HydrophobicContact CD1-CG2 4.02Å; L1036-I1079 HydrophobicContact CD2-CD1 4.32Å; L1036-I1079 HydrophobicContact CG-CD1 3.91Å; F1068-I1079 WeakPolarHBondContact CD2-O 3.19Å | ||
| 1080 | S | 58.8 | Low | 52.8 | Low | 37 Ų | 37 | 82.2 Ų | 82.2 | 26% | 0.259 | 48% | 0.478 | S | S | . | . | trans | -134.3 | 160.8 | 179.3 | 47.3 | 0 | 0 | 0 | 0 | 109.7 | S1078 | S1078-S1080 PolarHBondContact O-N 3.11Š| ||
| 1081 | L | 64.3 | Low | 52.3 | Low | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 50% | 0.497 | C | S | . | . | trans | -74.3 | 146.7 | 170.9 | -67.7 | 161.1 | 0 | 0 | 0 | 109.8 | A1027 L1029 F1068 L1069 P1071 I1086 | A1027-L1081 HydrophobicContact CB-CD2 3.71Å; L1029-L1081 HydrophobicContact CD1-CD2 3.92Å; F1068-L1081 HydrophobicContact CD1-CD1 4.06Å; F1068-L1081 HydrophobicContact CE1-CD1 3.71Å; F1068-L1081 HydrophobicContact CE1-CG 4.08Å; F1068-L1081 HydrophobicContact CZ-CD1 4.28Å; F1068-L1081 HydrophobicContact CZ-CG 4.15Å; F1068-L1081 WeakPolarHBondContact O-CB 3.07Å; F1068-L1081 PolarHBondContact O-N 3.42Å; F1068-L1081 VanDerWaalsContact O-N 3.15Å; L1069-L1081 HydrophobicContact CD2-CD1 4.46Å; P1071-L1081 WeakPolarHBondContact CD-O 3.4Å; P1071-L1081 WeakPolarHBondContact CG-O 3.38Å; L1081-I1086 HydrophobicContact CB-CD1 4.5Å; L1081-I1086 HydrophobicContact CD2-CD1 4.28Å | ||
| 1082 | P | 58.1 | Low | 52.5 | Low | 63 Ų | 63 | 82.9 Ų | 82.9 | 41% | 0.409 | 49% | 0.493 | S | S | . | . | trans | -56.8 | 141 | -179.6 | -22.9 | 30.6 | 0 | 0 | 0 | 112.7 | L1029 G1084 | L1029-P1082 VanDerWaalsContact CD1-CD 3.42Å; L1029-P1082 HydrophobicContact CD1-CG 3.94Å; L1029-P1082 HydrophobicContact CD2-CG 4.49Å; P1082-G1084 PolarHBondContact O-N 2.88Å | ||
| 1083 | S | 51.3 | Low | 53 | Low | 89 Ų | 89 | 79.3 Ų | 79.3 | 62% | 0.622 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -72.6 | 106.5 | 168.7 | 44.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1084 | G | 54.5 | Low | 54 | Low | 43 Ų | 43 | 74.2 Ų | 74.2 | 44% | 0.443 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 137.2 | 174.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1082 I1086 | P1082-G1084 PolarHBondContact O-N 2.88Å; G1084-I1086 PolarHBondContact O-N 3.37Å |
| 1085 | S | 52.7 | Low | 55.5 | Low | 111 Ų | 111 | 66.4 Ų | 66.4 | 78% | 0.776 | 40% | 0.4 | S | S | * | . | trans | -59.2 | 117.5 | 174.8 | 63.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1086 | I | 56.8 | Low | 57.1 | Low | 20 Ų | 20 | 62.7 Ų | 62.7 | 10% | 0.103 | 37% | 0.374 | C | S | . | . | trans | -76.7 | 131.5 | 176.5 | -66.4 | -178.1 | 0 | 0 | 0 | 108.1 | A1027 L1081 G1084 F1088 R1100 | A1027-I1086 HydrophobicContact CB-CD1 3.82Å; A1027-I1086 HydrophobicContact CB-CG2 4.22Å; A1027-I1086 WeakPolarHBondContact O-CG2 3.44Å; L1081-I1086 HydrophobicContact CB-CD1 4.5Å; L1081-I1086 HydrophobicContact CD2-CD1 4.28Å; G1084-I1086 PolarHBondContact O-N 3.37Å; I1086-F1088 VanDerWaalsContact C-N 3.28Å; I1086-F1088 HydrophobicContact CB-CD1 4.3Å; I1086-F1088 HydrophobicContact CB-CD2 4.5Å; I1086-F1088 HydrophobicContact CB-CE1 3.75Å; I1086-F1088 HydrophobicContact CB-CE2 3.91Å; I1086-F1088 HydrophobicContact CB-CZ 3.57Å; I1086-F1088 HydrophobicContact CG1-CZ 4.48Å; I1086-F1088 HydrophobicContact CG2-CD1 3.84Å; I1086-F1088 HydrophobicContact CG2-CE1 3.67Å; I1086-F1088 HydrophobicContact CG2-CE2 4.45Å; I1086-F1088 HydrophobicContact CG2-CG 4.37Å; I1086-F1088 HydrophobicContact CG2-CZ 4.04Å; I1086-F1088 WeakPolarHBondContact O-CD2 3.48Å; I1086-F1088 WeakPolarHBondContact O-CE2 3.2Å; I1086-F1088 PolarHBondContact O-N 2.93Å; I1086-R1100 VanDerWaalsContact CD1-CZ 3.4Å; I1086-R1100 VanDerWaalsContact CG1-NH1 3.29Å | ||
| 1087 | S | 49.4 | Very low | 58.5 | Low | 112 Ų | 112 | 57.8 Ų | 57.8 | 78% | 0.783 | 34% | 0.338 | S | S | * | . | trans | -71.3 | 88.1 | 169.9 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1088 | F | 53.3 | Low | 59.8 | Low | 32 Ų | 32 | 48.6 Ų | 48.6 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | trans | -68.1 | 137.6 | 179 | -59.2 | -74.4 | 0 | 0 | 0 | 111.1 | I1086 A1093 L1096 D1097 | I1086-F1088 VanDerWaalsContact C-N 3.28Å; I1086-F1088 HydrophobicContact CB-CD1 4.3Å; I1086-F1088 HydrophobicContact CB-CD2 4.5Å; I1086-F1088 HydrophobicContact CB-CE1 3.75Å; I1086-F1088 HydrophobicContact CB-CE2 3.91Å; I1086-F1088 HydrophobicContact CB-CZ 3.57Å; I1086-F1088 HydrophobicContact CG1-CZ 4.48Å; I1086-F1088 HydrophobicContact CG2-CD1 3.84Å; I1086-F1088 HydrophobicContact CG2-CE1 3.67Å; I1086-F1088 HydrophobicContact CG2-CE2 4.45Å; I1086-F1088 HydrophobicContact CG2-CG 4.37Å; I1086-F1088 HydrophobicContact CG2-CZ 4.04Å; I1086-F1088 WeakPolarHBondContact O-CD2 3.48Å; I1086-F1088 WeakPolarHBondContact O-CE2 3.2Å; I1086-F1088 PolarHBondContact O-N 2.93Å; F1088-A1093 HydrophobicContact CB-CB 4.13Å; F1088-A1093 HydrophobicContact CD1-CB 3.07Å; F1088-A1093 HydrophobicContact CD2-CB 3.92Å; F1088-A1093 HydrophobicContact CE1-CB 3.26Å; F1088-A1093 HydrophobicContact CE2-CB 4.11Å; F1088-A1093 HydrophobicContact CG-CB 3.41Å; F1088-A1093 VanDerWaalsContact CG-CB 3.41Å; F1088-A1093 HydrophobicContact CZ-CB 3.76Å; F1088-L1096 HydrophobicContact CE1-CD2 4.1Å; F1088-L1096 HydrophobicContact CZ-CD2 4.3Å; F1088-D1097 WeakPolarHBondContact CE2-OD1 3.01Å; F1088-D1097 WeakPolarHBondContact CE2-OD2 3.43Å; F1088-D1097 VanDerWaalsContact CZ-OD1 3.22Å; F1088-D1097 WeakPolarHBondContact CZ-OD1 3.45Å | ||
| 1089 | R | 48.7 | Very low | 60.9 | Low | 240 Ų | 240 | 44.6 Ų | 44.6 | 91% | 0.906 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -90 | -8.7 | 159.5 | -68.6 | -168.6 | -170.4 | -122.9 | 3.7 | 112.3 | ||
| 1090 | V | 54.3 | Low | 61.7 | Low | 10 Ų | 10 | 41.8 Ų | 41.8 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | trans | -112.7 | 123.6 | -166.5 | 178.8 | 0 | 0 | 0 | 0 | 108.3 | E862 L1048 C1092 | E862-V1090 WeakPolarHBondContact OE2-CG1 3.3Å; L1048-V1090 HydrophobicContact CD1-CG1 4.4Å; V1090-C1092 HydrophobicContact CG1-CB 3.85Å; V1090-C1092 PolarHBondContact O-N 3.42Å; V1090-C1092 VanDerWaalsContact O-N 3.16Å | ||
| 1091 | A | 55.8 | Low | 62.5 | Low | 64 Ų | 64 | 40.7 Ų | 40.7 | 53% | 0.529 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -65.9 | -17.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1093 | A1091-A1093 PolarHBondContact O-N 2.86Š|
| 1092 | C | 59.1 | Low | 63.1 | Low | 15 Ų | 15 | 40.7 Ų | 40.7 | 10% | 0.101 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -82.5 | -0.4 | -174.1 | -60.8 | 0 | 0 | 0 | 0 | 115.3 | K1050 I1053 V1090 | K1050-C1092 HydrophobicContact CG-CB 3.88Å; I1053-C1092 HydrophobicContact CD1-CB 3.73Å; V1090-C1092 HydrophobicContact CG1-CB 3.85Å; V1090-C1092 PolarHBondContact O-N 3.42Å; V1090-C1092 VanDerWaalsContact O-N 3.16Å |
| 1093 | A | 62.7 | Low | 63.9 | Low | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -89.3 | 0.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | F1088 A1091 S1095 L1096 D1097 | F1088-A1093 HydrophobicContact CB-CB 4.13Å; F1088-A1093 HydrophobicContact CD1-CB 3.07Å; F1088-A1093 HydrophobicContact CD2-CB 3.92Å; F1088-A1093 HydrophobicContact CE1-CB 3.26Å; F1088-A1093 HydrophobicContact CE2-CB 4.11Å; F1088-A1093 HydrophobicContact CG-CB 3.41Å; F1088-A1093 VanDerWaalsContact CG-CB 3.41Å; F1088-A1093 HydrophobicContact CZ-CB 3.76Å; A1091-A1093 PolarHBondContact O-N 2.86Å; A1093-S1095 PolarHBondContact O-N 2.88Å; A1093-L1096 WeakPolarHBondContact O-CB 3.27Å; A1093-L1096 PolarHBondContact O-N 3.44Å; A1093-L1096 VanDerWaalsContact O-N 3.08Å; A1093-D1097 PolarHBondContact O-N 3.27Å |
| 1094 | G | 67.3 | Low | 65 | Low | 4 Ų | 4 | 35.8 Ų | 35.8 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59 | -29.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1096 D1097 L1098 I1221 | G1094-L1096 VanDerWaalsContact C-N 3.34Å; G1094-L1096 PolarHBondContact O-N 2.65Å; G1094-D1097 PolarHBondContact O-N 3.07Å; G1094-L1098 PolarHBondContact O-N 3.03Å; G1094-I1221 VanDerWaalsContact O-CD1 3.23Å; G1094-I1221 WeakPolarHBondContact O-CD1 3.34Å |
| 1095 | S | 72.2 | Confident | 65.9 | Low | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.3 | -35.5 | 176.2 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | T1054 A1093 I1099 | T1054-S1095 WeakPolarHBondContact OG1-CB 3.4Å; T1054-S1095 PolarHBondContact OG1-OG 3.16Å; A1093-S1095 PolarHBondContact O-N 2.88Å; S1095-I1099 PolarHBondContact O-N 3.49Å |
| 1096 | L | 75.3 | Confident | 66.8 | Low | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.6 | -39.3 | 177 | 179.2 | 66.4 | 0 | 0 | 0 | 111.4 | I1053 T1057 L1069 F1088 A1093 G1094 R1100 | I1053-L1096 HydrophobicContact CG2-CB 4.48Å; T1057-L1096 HydrophobicContact CG2-CB 4.34Å; T1057-L1096 HydrophobicContact CG2-CD1 3.5Å; L1069-L1096 HydrophobicContact CD2-CD1 3.85Å; F1088-L1096 HydrophobicContact CE1-CD2 4.1Å; F1088-L1096 HydrophobicContact CZ-CD2 4.3Å; A1093-L1096 WeakPolarHBondContact O-CB 3.27Å; A1093-L1096 PolarHBondContact O-N 3.44Å; A1093-L1096 VanDerWaalsContact O-N 3.08Å; G1094-L1096 VanDerWaalsContact C-N 3.34Å; G1094-L1096 PolarHBondContact O-N 2.65Å; L1096-R1100 WeakPolarHBondContact O-CD 3.2Å; L1096-R1100 WeakPolarHBondContact O-CG 3.34Å; L1096-R1100 PolarHBondContact O-N 2.99Å; L1096-R1100 VanDerWaalsContact O-N 3.1Å |
| 1097 | D | 72.3 | Confident | 67.5 | Low | 20 Ų | 20 | 30.2 Ų | 30.2 | 11% | 0.107 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.5 | -44.6 | 177 | -76 | -24.8 | 0 | 0 | 0 | 112 | F1088 A1093 G1094 I1099 R1100 I1101 L1170 | F1088-D1097 WeakPolarHBondContact CE2-OD1 3.01Å; F1088-D1097 WeakPolarHBondContact CE2-OD2 3.43Å; F1088-D1097 VanDerWaalsContact CZ-OD1 3.22Å; F1088-D1097 WeakPolarHBondContact CZ-OD1 3.45Å; A1093-D1097 PolarHBondContact O-N 3.27Å; G1094-D1097 PolarHBondContact O-N 3.07Å; D1097-I1099 PolarHBondContact O-N 3.24Å; D1097-R1100 PolarHBondContact O-N 3.43Å; D1097-I1101 WeakPolarHBondContact O-CG1 3.47Å; D1097-I1101 PolarHBondContact O-N 3.47Å; D1097-L1170 HydrophobicContact CB-CD1 4.49Å; D1097-L1170 HydrophobicContact CB-CD2 4.48Å |
| 1098 | L | 77.1 | Confident | 68.3 | Low | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.4 | -49.3 | 178.7 | -178.5 | 66.9 | 0 | 0 | 0 | 111.3 | G1094 R1100 I1101 L1102 F1167 L1170 I1221 L1226 I1229 L1272 | G1094-L1098 PolarHBondContact O-N 3.03Å; L1098-R1100 VanDerWaalsContact C-N 3.28Å; L1098-R1100 PolarHBondContact O-N 3.21Å; L1098-I1101 PolarHBondContact O-N 3.29Å; L1098-L1102 HydrophobicContact CG-CD1 4.17Å; L1098-L1102 VanDerWaalsContact O-CG 3.31Å; L1098-L1102 WeakPolarHBondContact O-CG 3.38Å; L1098-L1102 PolarHBondContact O-N 3.07Å; L1098-F1167 HydrophobicContact CD1-CD2 4.39Å; L1098-F1167 HydrophobicContact CD1-CE2 4.18Å; L1098-L1170 HydrophobicContact CB-CD2 4Å; L1098-L1170 HydrophobicContact CD1-CD2 4.04Å; L1098-I1221 HydrophobicContact CB-CD1 3.93Å; L1098-L1226 HydrophobicContact CD2-CD1 3.42Å; L1098-L1226 VanDerWaalsContact CD2-CD1 3.42Å; L1098-I1229 HydrophobicContact CD2-CD1 3.86Å; L1098-I1229 HydrophobicContact CD2-CG2 4.39Å; L1098-L1272 HydrophobicContact CD1-CD1 4.35Å |
| 1099 | I | 76.5 | Confident | 68.9 | Low | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.3 | -37 | 179.6 | -70.3 | 169.5 | 0 | 0 | 0 | 111.2 | T1057 L1061 L1069 S1095 D1097 L1102 L1103 I1229 | T1057-I1099 HydrophobicContact CG2-CD1 4.45Å; T1057-I1099 VanDerWaalsContact OG1-CD1 3.31Å; T1057-I1099 WeakPolarHBondContact OG1-CD1 3.17Å; L1061-I1099 HydrophobicContact CD1-CD1 4.47Å; L1061-I1099 HydrophobicContact CD1-CG2 3.89Å; L1061-I1099 HydrophobicContact CD2-CG2 4.47Å; L1061-I1099 HydrophobicContact CG-CG2 4.46Å; L1069-I1099 HydrophobicContact CD1-CG2 4.42Å; S1095-I1099 PolarHBondContact O-N 3.49Å; D1097-I1099 PolarHBondContact O-N 3.24Å; I1099-L1102 PolarHBondContact O-N 3.37Å; I1099-L1103 HydrophobicContact CG2-CD1 4.15Å; I1099-L1103 HydrophobicContact CG2-CG 4.49Å; I1099-L1103 WeakPolarHBondContact O-CG 3.47Å; I1099-L1103 PolarHBondContact O-N 2.92Å; I1099-I1229 HydrophobicContact CG1-CG2 4.48Å |
| 1100 | R | 76 | Confident | 69.5 | Low | 13 Ų | 13 | 15.7 Ų | 15.7 | 5% | 0.049 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.6 | -41.4 | 175.6 | -74.5 | 168.8 | 178.5 | -144.5 | 3.9 | 113 | L1069 I1086 L1096 D1097 L1098 L1102 L1103 H1104 | L1069-R1100 PolarHBondContact O-NE 2.72Å; I1086-R1100 VanDerWaalsContact CD1-CZ 3.4Å; I1086-R1100 VanDerWaalsContact CG1-NH1 3.29Å; L1096-R1100 WeakPolarHBondContact O-CD 3.2Å; L1096-R1100 WeakPolarHBondContact O-CG 3.34Å; L1096-R1100 PolarHBondContact O-N 2.99Å; L1096-R1100 VanDerWaalsContact O-N 3.1Å; D1097-R1100 PolarHBondContact O-N 3.43Å; L1098-R1100 VanDerWaalsContact C-N 3.28Å; L1098-R1100 PolarHBondContact O-N 3.21Å; R1100-L1102 VanDerWaalsContact C-N 3.32Å; R1100-L1103 PolarHBondContact O-N 3.48Å; R1100-H1104 WeakPolarHBondContact O-CB 3.47Å; R1100-H1104 PolarHBondContact O-N 3.15Å |
| 1101 | I | 75.2 | Confident | 69.3 | Low | 15 Ų | 15 | 19.6 Ų | 19.6 | 8% | 0.077 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.3 | -42 | 175.4 | -70.3 | 160.3 | 0 | 0 | 0 | 109.8 | D1097 L1098 H1104 F1105 V1163 E1166 F1167 L1170 | D1097-I1101 WeakPolarHBondContact O-CG1 3.47Å; D1097-I1101 PolarHBondContact O-N 3.47Å; L1098-I1101 PolarHBondContact O-N 3.29Å; I1101-H1104 WeakPolarHBondContact O-CB 3.45Å; I1101-H1104 PolarHBondContact O-N 2.95Å; I1101-F1105 HydrophobicContact CG2-CD2 4.12Å; I1101-F1105 HydrophobicContact CG2-CE2 3.89Å; I1101-F1105 WeakPolarHBondContact O-CD2 3.47Å; I1101-F1105 PolarHBondContact O-N 3.02Å; I1101-V1163 HydrophobicContact CG2-CG1 4.15Å; I1101-E1166 HydrophobicContact CD1-CB 4.29Å; I1101-E1166 HydrophobicContact CG1-CB 4.41Å; I1101-F1167 HydrophobicContact CG2-CB 3.82Å; I1101-F1167 HydrophobicContact CG2-CD2 4.03Å; I1101-F1167 HydrophobicContact CG2-CG 4.42Å; I1101-L1170 HydrophobicContact CD1-CB 4.47Å; I1101-L1170 HydrophobicContact CD1-CD2 3.82Å |
| 1102 | L | 76.7 | Confident | 68.7 | Low | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 174.8 | -64.8 | 172.6 | 0 | 0 | 0 | 112.5 | L1098 I1099 R1100 H1104 F1105 H1106 F1167 L1233 L1268 L1272 | L1098-L1102 HydrophobicContact CG-CD1 4.17Å; L1098-L1102 VanDerWaalsContact O-CG 3.31Å; L1098-L1102 WeakPolarHBondContact O-CG 3.38Å; L1098-L1102 PolarHBondContact O-N 3.07Å; I1099-L1102 PolarHBondContact O-N 3.37Å; R1100-L1102 VanDerWaalsContact C-N 3.32Å; L1102-H1104 VanDerWaalsContact C-N 3.32Å; L1102-F1105 HydrophobicContact CD2-CD2 4.38Å; L1102-F1105 WeakPolarHBondContact O-CB 3.41Å; L1102-F1105 PolarHBondContact O-N 2.9Å; L1102-H1106 PolarHBondContact O-N 2.91Å; L1102-H1106 VanDerWaalsContact O-N 3.09Å; L1102-F1167 HydrophobicContact CD2-CE2 4.16Å; L1102-L1233 HydrophobicContact CD1-CD1 4.42Å; L1102-L1268 VanDerWaalsContact C-CD2 3.48Å; L1102-L1268 HydrophobicContact CB-CD2 3.62Å; L1102-L1268 WeakPolarHBondContact O-CD2 3.28Å; L1102-L1272 HydrophobicContact CD2-CB 4.32Å |
| 1103 | L | 75.6 | Confident | 67.5 | Low | 13 Ų | 13 | 24.5 Ų | 24.5 | 7% | 0.068 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.8 | -35.1 | 172.4 | -74.5 | 170.4 | 0 | 0 | 0 | 112.1 | L1061 L1069 I1099 R1100 H1106 E1107 I1264 L1268 | L1061-L1103 HydrophobicContact CD2-CD1 4.33Å; L1061-L1103 HydrophobicContact CD2-CD2 4.18Å; L1069-L1103 HydrophobicContact CB-CD1 4.05Å; L1069-L1103 HydrophobicContact CD1-CD1 4.31Å; I1099-L1103 HydrophobicContact CG2-CD1 4.15Å; I1099-L1103 HydrophobicContact CG2-CG 4.49Å; I1099-L1103 WeakPolarHBondContact O-CG 3.47Å; I1099-L1103 PolarHBondContact O-N 2.92Å; R1100-L1103 PolarHBondContact O-N 3.48Å; L1103-H1106 WeakPolarHBondContact O-CB 3.49Å; L1103-H1106 PolarHBondContact O-N 3.49Å; L1103-E1107 PolarHBondContact O-N 3.35Å; L1103-I1264 HydrophobicContact CD2-CD1 4.37Å; L1103-L1268 HydrophobicContact CD2-CD1 4.34Å; L1103-L1268 HydrophobicContact CD2-CD2 4.2Å; L1103-L1268 HydrophobicContact CG-CD2 4.41Å |
| 1104 | H | 73.9 | Confident | 65.9 | Low | 35 Ų | 35 | 30.5 Ų | 30.5 | 16% | 0.162 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.3 | -34.4 | 174.8 | -164 | -44.1 | 0 | 0 | 0 | 111.6 | Y1070 R1100 I1101 L1102 H1106 E1107 V1108 V1163 | Y1070-H1104 AromaticContact CE2-CD2 3.94Å; Y1070-H1104 AromaticContact CZ-CD2 3.68Å; Y1070-H1104 PolarHBondContact OH-CD2 2.65Å; Y1070-H1104 PolarHBondContact OH-NE2 2.98Å; R1100-H1104 WeakPolarHBondContact O-CB 3.47Å; R1100-H1104 PolarHBondContact O-N 3.15Å; I1101-H1104 WeakPolarHBondContact O-CB 3.45Å; I1101-H1104 PolarHBondContact O-N 2.95Å; L1102-H1104 VanDerWaalsContact C-N 3.32Å; H1104-H1106 VanDerWaalsContact C-N 3.35Å; H1104-E1107 PolarHBondContact O-N 2.92Å; H1104-V1108 WeakPolarHBondContact O-CG2 3.36Å; H1104-V1108 PolarHBondContact O-N 3.3Å; H1104-V1163 HydrophobicContact CB-CG1 4.35Å; H1104-V1163 HydrophobicContact CB-CG2 4.38Å; H1104-V1163 WeakPolarHBondContact CE1-CG2 3.45Å; H1104-V1163 WeakPolarHBondContact ND1-CG2 3.35Å |
| 1105 | F | 73 | Confident | 64.1 | Low | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | 168.5 | -84 | -61.8 | 0 | 0 | 0 | 111.3 | I1101 L1102 E1107 V1108 L1109 L1160 V1163 I1164 F1167 Y1271 F1383 | I1101-F1105 HydrophobicContact CG2-CD2 4.12Å; I1101-F1105 HydrophobicContact CG2-CE2 3.89Å; I1101-F1105 WeakPolarHBondContact O-CD2 3.47Å; I1101-F1105 PolarHBondContact O-N 3.02Å; L1102-F1105 HydrophobicContact CD2-CD2 4.38Å; L1102-F1105 WeakPolarHBondContact O-CB 3.41Å; L1102-F1105 PolarHBondContact O-N 2.9Å; F1105-E1107 VanDerWaalsContact C-N 3.33Å; F1105-E1107 PolarHBondContact O-N 3.2Å; F1105-V1108 PolarHBondContact O-N 2.9Å; F1105-L1109 WeakPolarHBondContact O-CG 3.32Å; F1105-L1109 PolarHBondContact O-N 3.25Å; F1105-L1109 VanDerWaalsContact O-N 3.15Å; F1105-L1160 HydrophobicContact CD1-CD1 3.95Å; F1105-L1160 HydrophobicContact CE1-CD1 4.07Å; F1105-V1163 HydrophobicContact CD1-CB 4.42Å; F1105-V1163 HydrophobicContact CD1-CG1 3.65Å; F1105-V1163 HydrophobicContact CD2-CG1 3.81Å; F1105-V1163 HydrophobicContact CE1-CB 4.26Å; F1105-V1163 HydrophobicContact CE1-CG1 3.68Å; F1105-V1163 HydrophobicContact CE2-CG1 3.84Å; F1105-V1163 HydrophobicContact CG-CG1 3.73Å; F1105-V1163 HydrophobicContact CZ-CG1 3.79Å; F1105-I1164 HydrophobicContact CE1-CG1 3.73Å; F1105-I1164 HydrophobicContact CZ-CG1 4.08Å; F1105-F1167 HydrophobicContact CE2-CB 3.71Å; F1105-F1167 HydrophobicContact CE2-CD1 4.38Å; F1105-F1167 AromaticContact CE2-CD2 3.77Å; F1105-F1167 HydrophobicContact CE2-CD2 3.77Å; F1105-F1167 HydrophobicContact CE2-CE2 4.42Å; F1105-F1167 AromaticContact CE2-CG 3.72Å; F1105-F1167 HydrophobicContact CE2-CG 3.72Å; F1105-F1167 HydrophobicContact CZ-CB 3.88Å; F1105-F1167 HydrophobicContact CZ-CD1 4.45Å; F1105-F1167 HydrophobicContact CZ-CG 4.09Å; F1105-Y1271 HydrophobicContact CB-CD2 4.21Å; F1105-Y1271 HydrophobicContact CB-CG 4.33Å; F1105-F1383 AromaticContact CD1-CE2 3.43Å; F1105-F1383 HydrophobicContact CD1-CE2 3.43Å; F1105-F1383 VanDerWaalsContact CD1-CE2 3.43Å; F1105-F1383 AromaticContact CD1-CZ 3.71Å; F1105-F1383 HydrophobicContact CD1-CZ 3.71Å; F1105-F1383 AromaticContact CE1-CE2 3.53Å; F1105-F1383 HydrophobicContact CE1-CE2 3.53Å; F1105-F1383 AromaticContact CE1-CZ 3.59Å; F1105-F1383 HydrophobicContact CE1-CZ 3.59Å; F1105-F1383 HydrophobicContact CG-CE2 4.23Å; F1105-F1383 HydrophobicContact CG-CZ 4.23Å; F1105-F1383 HydrophobicContact CZ-CE2 4.41Å; F1105-F1383 HydrophobicContact CZ-CZ 4.02Å |
| 1106 | H | 71.2 | Confident | 62.1 | Low | 13 Ų | 13 | 43.9 Ų | 43.9 | 6% | 0.06 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -40.6 | 178.4 | -172.9 | -71.6 | 0 | 0 | 0 | 112.5 | L1102 L1103 H1104 H1110 Q1267 Y1271 | L1102-H1106 PolarHBondContact O-N 2.91Å; L1102-H1106 VanDerWaalsContact O-N 3.09Å; L1103-H1106 WeakPolarHBondContact O-CB 3.49Å; L1103-H1106 PolarHBondContact O-N 3.49Å; H1104-H1106 VanDerWaalsContact C-N 3.35Å; H1106-H1110 AromaticContact CE1-CD2 3.81Å; H1106-H1110 AromaticContact NE2-CD2 3.89Å; H1106-H1110 PolarHBondContact O-N 2.92Å; H1106-Q1267 PolarHBondContact CD2-OE1 3.48Å; H1106-Q1267 PolarHBondContact NE2-OE1 3.2Å; H1106-Q1267 VanDerWaalsContact NE2-OE1 3.11Å; H1106-Y1271 HydrophobicContact CB-CE2 3.82Å |
| 1107 | E | 71.2 | Confident | 59.8 | Low | 44 Ų | 44 | 52.7 Ų | 52.7 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 176 | -176.3 | -176.3 | 170.1 | 0 | 0 | 112.2 | Y1070 M1072 L1103 H1104 F1105 L1109 H1110 | Y1070-E1107 WeakPolarHBondContact CE1-OE2 3.44Å; Y1070-E1107 PolarHBondContact OH-OE2 3.18Å; M1072-E1107 HydrophobicContact CE-CB 3.44Å; M1072-E1107 VanDerWaalsContact CE-CB 3.44Å; M1072-E1107 HydrophobicContact CE-CG 3.42Å; M1072-E1107 VanDerWaalsContact CE-CG 3.42Å; M1072-E1107 HydrophobicContact SD-CB 4.31Å; M1072-E1107 HydrophobicContact SD-CG 3.65Å; L1103-E1107 PolarHBondContact O-N 3.35Å; H1104-E1107 PolarHBondContact O-N 2.92Å; F1105-E1107 VanDerWaalsContact C-N 3.33Å; F1105-E1107 PolarHBondContact O-N 3.2Å; E1107-L1109 VanDerWaalsContact C-N 3.29Å; E1107-L1109 PolarHBondContact O-N 3.46Å; E1107-H1110 CarbonylContact O-C 3.52Å; E1107-H1110 PolarHBondContact O-N 3.25Å |
| 1108 | V | 67.6 | Low | 57.8 | Low | 15 Ų | 15 | 56 Ų | 56 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.7 | -33 | -172.1 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | H1104 F1105 R1159 L1160 V1163 | H1104-V1108 WeakPolarHBondContact O-CG2 3.36Å; H1104-V1108 PolarHBondContact O-N 3.3Å; F1105-V1108 PolarHBondContact O-N 2.9Å; V1108-R1159 HydrophobicContact CG2-CB 4.49Å; V1108-L1160 HydrophobicContact CB-CD1 4.44Å; V1108-L1160 HydrophobicContact CG1-CB 3.82Å; V1108-L1160 HydrophobicContact CG1-CD1 3.92Å; V1108-L1160 HydrophobicContact CG1-CG 4.38Å; V1108-V1163 HydrophobicContact CG2-CG2 4.4Å |
| 1109 | L | 64.4 | Low | 55.4 | Low | 24 Ų | 24 | 61.2 Ų | 61.2 | 13% | 0.126 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -78.7 | -27 | 179 | -68 | 169.7 | 0 | 0 | 0 | 113.3 | F1105 E1107 P1111 Y1271 V1379 P1382 F1383 | F1105-L1109 WeakPolarHBondContact O-CG 3.32Å; F1105-L1109 PolarHBondContact O-N 3.25Å; F1105-L1109 VanDerWaalsContact O-N 3.15Å; E1107-L1109 VanDerWaalsContact C-N 3.29Å; E1107-L1109 PolarHBondContact O-N 3.46Å; L1109-P1111 WeakPolarHBondContact O-CD 3.41Å; L1109-Y1271 HydrophobicContact CD1-CD1 3.95Å; L1109-Y1271 HydrophobicContact CD1-CE1 3.3Å; L1109-V1379 HydrophobicContact CB-CG1 4.1Å; L1109-P1382 HydrophobicContact CD2-CB 3.99Å; L1109-P1382 HydrophobicContact CD2-CG 4.44Å; L1109-F1383 HydrophobicContact CD1-CD2 3.74Å; L1109-F1383 HydrophobicContact CD1-CE2 4.07Å; L1109-F1383 HydrophobicContact CD2-CD2 4.18Å; L1109-F1383 HydrophobicContact CG-CD2 4.48Å |
| 1110 | H | 61.7 | Low | 53.1 | Low | 41 Ų | 41 | 68.1 Ų | 68.1 | 19% | 0.19 | 40% | 0.399 | C | S | . | . | trans | -114.7 | 72 | 177.4 | -72.2 | -76.2 | 0 | 0 | 0 | 113.2 | H1106 E1107 S1112 V1379 | H1106-H1110 AromaticContact CE1-CD2 3.81Å; H1106-H1110 AromaticContact NE2-CD2 3.89Å; H1106-H1110 PolarHBondContact O-N 2.92Å; E1107-H1110 CarbonylContact O-C 3.52Å; E1107-H1110 PolarHBondContact O-N 3.25Å; H1110-S1112 VanDerWaalsContact C-N 3.28Å; H1110-S1112 PolarHBondContact O-N 3.49Å; H1110-V1379 VanDerWaalsContact CE1-CG2 3.41Å; H1110-V1379 WeakPolarHBondContact CE1-CG2 3.25Å; H1110-V1379 VanDerWaalsContact NE2-CG1 3.3Å; H1110-V1379 WeakPolarHBondContact NE2-CG1 3.31Å; H1110-V1379 VanDerWaalsContact NE2-CG2 3.32Å; H1110-V1379 WeakPolarHBondContact NE2-CG2 3.48Å | ||
| 1111 | P | 50.9 | Low | 50.7 | Low | 91 Ų | 91 | 72.7 Ų | 72.7 | 59% | 0.591 | 43% | 0.433 | S | S | * | . | trans | -74 | 81.3 | 170.9 | 31 | -32.6 | 0 | 0 | 0 | 110 | L1109 S1113 | L1109-P1111 WeakPolarHBondContact O-CD 3.41Å; P1111-S1113 PolarHBondContact O-N 3.21Å | ||
| 1112 | S | 42.2 | Very low | 48.5 | Very low | 72 Ų | 72 | 77.8 Ų | 77.8 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | trans | -70.2 | 100.1 | 173.5 | 56.7 | 0 | 0 | 0 | 0 | 110.7 | H1110 S1114 | H1110-S1112 VanDerWaalsContact C-N 3.28Å; H1110-S1112 PolarHBondContact O-N 3.49Å; S1112-S1114 PolarHBondContact O-N 2.98Å | ||
| 1113 | S | 33.3 | Very low | 46.1 | Very low | 111 Ų | 111 | 83.4 Ų | 83.4 | 78% | 0.776 | 50% | 0.499 | S | S | * | . | trans | 50.1 | 38.6 | 146.8 | 66.6 | 0 | 0 | 0 | 0 | 119.2 | P1111 S1115 | P1111-S1113 PolarHBondContact O-N 3.21Å; S1113-S1115 VanDerWaalsContact C-N 3.33Å; S1113-S1115 PolarHBondContact O-N 3.45Å | ||
| 1114 | S | 30.6 | Very low | 43.9 | Very low | 125 Ų | 125 | 88.5 Ų | 88.5 | 87% | 0.874 | 53% | 0.531 | S | S | * | . | trans | -85.4 | 71.5 | 165.8 | 68.5 | 0 | 0 | 0 | 0 | 111.3 | S1112 | S1112-S1114 PolarHBondContact O-N 2.98Š| ||
| 1115 | S | 29.2 | Very low | 41.7 | Very low | 100 Ų | 100 | 91.7 Ų | 91.7 | 70% | 0.699 | 56% | 0.558 | S | S | * | * | trans | -147.6 | 61.1 | 166.6 | 68.9 | 0 | 0 | 0 | 0 | 111.8 | S1113 | S1113-S1115 VanDerWaalsContact C-N 3.33Å; S1113-S1115 PolarHBondContact O-N 3.45Å | ||
| 1116 | H | 29.3 | Very low | 39.6 | Very low | 188 Ų | 188 | 96.9 Ų | 96.9 | 87% | 0.87 | 59% | 0.594 | S | S | * | * | trans | -155 | 86.9 | 158.3 | -91.9 | -67.7 | 0 | 0 | 0 | 108.6 | ||||
| 1117 | E | 28.4 | Very low | 37.6 | Very low | 186 Ų | 186 | 101 Ų | 101 | 87% | 0.869 | 62% | 0.624 | S | S | * | * | trans | -176.6 | 91 | 132 | -99.8 | 178.1 | -174.7 | 0 | 0 | 110.2 | ||||
| 1118 | S | 30.1 | Very low | 35.5 | Very low | 88 Ų | 88 | 105 Ų | 105 | 62% | 0.615 | 65% | 0.652 | S | S | * | * | trans | 22 | 113.1 | 139.2 | 56 | 0 | 0 | 0 | 0 | 119 | N1120 | S1118-N1120 PolarHBondContact O-N 3.36Š| ||
| 1119 | S | 26.9 | Very low | 33.8 | Very low | 111 Ų | 111 | 111.3 Ų | 111.3 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | -18.5 | 114 | 122.7 | 48.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1120 | N | 26.6 | Very low | 32.1 | Very low | 146 Ų | 146 | 118 Ų | 118 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | trans | -153.9 | 81.8 | 151.3 | -93.9 | -19 | 0 | 0 | 0 | 109 | S1118 T1122 | S1118-N1120 PolarHBondContact O-N 3.36Å; N1120-T1122 PolarHBondContact O-N 3.27Å | ||
| 1121 | S | 27 | Very low | 30.6 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -61.3 | 111.7 | 147.4 | 51.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 1122 | T | 28.2 | Very low | 29.5 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 169 | 118.1 | 136.5 | 35 | 0 | 0 | 0 | 0 | 110.5 | N1120 | N1120-T1122 PolarHBondContact O-N 3.27Š| ||
| 1123 | T | 27.7 | Very low | 28.9 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | 20.2 | 130.9 | 136.8 | 45.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1124 | T | 27.7 | Very low | 28.6 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 77.6 | 102 | 141.4 | 49.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1125 | S | 27.8 | Very low | 28.4 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | 55.9 | 128.5 | 127.2 | 59.8 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1126 | S | 29.8 | Very low | 28.3 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 102.2 | 119.8 | 133.9 | 70.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1127 | S | 29.4 | Very low | 28.2 | Very low | 99 Ų | 99 | 132 Ų | 132 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | 64.8 | 103.3 | 143.1 | 55.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1128 | T | 26.7 | Very low | 28.3 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | 17.1 | 124.2 | 122.8 | 53.1 | 0 | 0 | 0 | 0 | 119 | |||||
| 1129 | T | 32.3 | Very low | 27.9 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | -169 | 150.1 | 125.3 | 37.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1130 | N | 27.7 | Very low | 28 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -70 | 150.8 | -173.2 | -59.8 | -44.3 | 0 | 0 | 0 | 115.6 | ||||
| 1131 | A | 30.3 | Very low | 27.9 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | 175.2 | 110.1 | 135.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1132 | H | 27.4 | Very low | 27.9 | Very low | 180 Ų | 180 | 137.5 Ų | 137.5 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | 64 | 135.5 | 86.1 | -131.9 | -66.4 | 0 | 0 | 0 | 115.3 | |||||
| 1133 | V | 30.6 | Very low | 28 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | trans | 114 | 98.1 | 156.8 | -172.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1134 | N | 27 | Very low | 28.1 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | 53.4 | 117.8 | 125.6 | -59.8 | -10 | 0 | 0 | 0 | 123.1 | |||||
| 1135 | S | 26.8 | Very low | 28.1 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | 41.6 | 119.7 | 125.8 | 69.7 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1136 | E | 27.8 | Very low | 28.1 | Very low | 190 Ų | 190 | 140 Ų | 140 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | -154.7 | 131.1 | 138.7 | -114.7 | 169 | -160.7 | 0 | 0 | 111.8 | ||||
| 1137 | K | 25.1 | Very low | 28.2 | Very low | 206 Ų | 206 | 141.3 Ų | 141.3 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | trans | -69.5 | 130.7 | 171 | -73.5 | 170.5 | 170.3 | 176.5 | 0 | 109.1 | ||||
| 1138 | Q | 30.7 | Very low | 28 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -136.6 | 119.3 | 156.6 | -82.1 | -168 | -16.1 | 0 | 0 | 111.4 | ||||
| 1139 | N | 23.1 | Very low | 28.1 | Very low | 164 Ų | 164 | 142 Ų | 142 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | -64 | 141.6 | 161.3 | -75.5 | -26.8 | 0 | 0 | 0 | 110.7 | ||||
| 1140 | S | 27.9 | Very low | 27.9 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | 172.2 | 115.1 | 144.2 | 37.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1141 | N | 25.7 | Very low | 27.9 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | 55.6 | 104.7 | 83.9 | -77.7 | -6.6 | 0 | 0 | 0 | 115 | |||||
| 1142 | H | 27 | Very low | 28.3 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | 67.4 | 137.3 | 156.5 | -74.5 | -67.1 | 0 | 0 | 0 | 118.2 | ||||
| 1143 | P | 29.9 | Very low | 28.6 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 60% | 0.597 | 72% | 0.72 | S | S | * | * | -138.8 | 104.8 | 55.8 | 34.6 | -13.6 | 0 | 0 | 0 | 115.1 | K1145 | P1143-K1145 PolarHBondContact O-N 3.41Å; P1143-K1145 VanDerWaalsContact O-N 3.12Å | |||
| 1144 | I | 28.7 | Very low | 28.7 | Very low | 117 Ų | 117 | 138 Ų | 138 | 60% | 0.6 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 2.8 | 165.7 | -68.5 | 170.2 | 0 | 0 | 0 | 112.3 | ||
| 1145 | K | 28.2 | Very low | 29.4 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 0.8 | 177.7 | -96.2 | -178.4 | 174.4 | 179.6 | 0 | 116.1 | P1143 | P1143-K1145 PolarHBondContact O-N 3.41Å; P1143-K1145 VanDerWaalsContact O-N 3.12Å |
| 1146 | N | 28.1 | Very low | 30.9 | Very low | 116 Ų | 116 | 132 Ų | 132 | 62% | 0.62 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -116.3 | 5.9 | -176.7 | -79.2 | 0.1 | 0 | 0 | 0 | 115.3 | S1149 | N1146-S1149 PolarHBondContact O-OG 3.34Š|
| 1147 | I | 31.6 | Very low | 32.3 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 69% | 0.692 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -91.1 | -17.9 | 178.5 | -62.1 | 175.3 | 0 | 0 | 0 | 111.8 | S1149 | I1147-S1149 PolarHBondContact O-N 2.86Š|
| 1148 | L | 26.6 | Very low | 34.2 | Very low | 159 Ų | 159 | 119.9 Ų | 119.9 | 83% | 0.832 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 6.3 | 173.5 | -78.8 | 157.7 | 0 | 0 | 0 | 114.5 | ||
| 1149 | S | 27 | Very low | 35.9 | Very low | 85 Ų | 85 | 117.7 Ų | 117.7 | 59% | 0.594 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 18.9 | 176 | 64.1 | 0 | 0 | 0 | 0 | 113.8 | N1146 I1147 T1151 | N1146-S1149 PolarHBondContact O-OG 3.34Å; I1147-S1149 PolarHBondContact O-N 2.86Å; S1149-T1151 VanDerWaalsContact C-N 3.33Å; S1149-T1151 PolarHBondContact O-N 2.84Å |
| 1150 | A | 28.8 | Very low | 38.1 | Very low | 78 Ų | 78 | 110.2 Ų | 110.2 | 65% | 0.645 | 60% | 0.597 | S | S | * | * | trans | -96.9 | 42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1152 | A1150-V1152 PolarHBondContact O-N 3.38Š| ||
| 1151 | T | 28.6 | Very low | 40.1 | Very low | 112 Ų | 112 | 110.7 Ų | 110.7 | 69% | 0.687 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -51.2 | 120.6 | 147.4 | 42.5 | 0 | 0 | 0 | 0 | 106.7 | S1149 K1153 | S1149-T1151 VanDerWaalsContact C-N 3.33Å; S1149-T1151 PolarHBondContact O-N 2.84Å; T1151-K1153 PolarHBondContact O-N 3.38Å; T1151-K1153 VanDerWaalsContact O-N 3.09Å |
| 1152 | V | 38.4 | Very low | 42.4 | Very low | 56 Ų | 56 | 107.3 Ų | 107.3 | 34% | 0.339 | 57% | 0.571 | S | S | . | * | trans | -0.7 | 100.3 | 171.8 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | A1150 F1154 N1156 A1157 | A1150-V1152 PolarHBondContact O-N 3.38Å; V1152-F1154 PolarHBondContact O-N 3Å; V1152-N1156 HydrophobicContact CG1-CB 3.78Å; V1152-A1157 HydrophobicContact CG1-CB 3.79Å | ||
| 1153 | K | 32.4 | Very low | 44.6 | Very low | 183 Ų | 183 | 100 Ų | 100 | 80% | 0.796 | 54% | 0.537 | S | S | * | . | trans | -43.5 | 118.2 | 174 | -81 | -177.5 | 178 | 175.7 | 0 | 106.4 | T1151 G1155 N1156 | T1151-K1153 PolarHBondContact O-N 3.38Å; T1151-K1153 VanDerWaalsContact O-N 3.09Å; K1153-G1155 PolarHBondContact O-N 2.98Å; K1153-N1156 PolarHBondContact O-N 3.06Å | ||
| 1154 | F | 32.8 | Very low | 46.7 | Very low | 187 Ų | 187 | 95.8 Ų | 95.8 | 82% | 0.82 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.5 | -18.6 | -164.1 | -93.7 | -95.2 | 0 | 0 | 0 | 116.1 | V1152 | V1152-F1154 PolarHBondContact O-N 3Š|
| 1155 | G | 42.7 | Very low | 48.8 | Very low | 53 Ų | 53 | 93.6 Ų | 93.6 | 55% | 0.546 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -78.4 | -19.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | K1153 | K1153-G1155 PolarHBondContact O-N 2.98Å |
| 1156 | N | 57.1 | Low | 51 | Low | 57 Ų | 57 | 89.3 Ų | 89.3 | 31% | 0.305 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -86.4 | -22.1 | 177.1 | -86.1 | 7.9 | 0 | 0 | 0 | 113 | V1152 K1153 R1159 L1160 | V1152-N1156 HydrophobicContact CG1-CB 3.78Å; K1153-N1156 PolarHBondContact O-N 3.06Å; N1156-R1159 PolarHBondContact O-N 3.36Å; N1156-L1160 WeakPolarHBondContact O-CB 3.44Å; N1156-L1160 PolarHBondContact O-N 3.32Å |
| 1157 | A | 57.9 | Low | 53.3 | Low | 28 Ų | 28 | 83.8 Ų | 83.8 | 23% | 0.231 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1152 L1160 K1161 | V1152-A1157 HydrophobicContact CG1-CB 3.79Å; A1157-L1160 PolarHBondContact O-N 3.37Å; A1157-K1161 WeakPolarHBondContact O-CB 3.4Å; A1157-K1161 PolarHBondContact O-N 3.34Å |
| 1158 | D | 64.3 | Low | 55.3 | Low | 115 Ų | 115 | 77.6 Ų | 77.6 | 62% | 0.615 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 178 | -70.6 | -24.4 | 0 | 0 | 0 | 111.8 | K1161 T1162 | D1158-K1161 PolarHBondContact O-N 3.13Å; D1158-T1162 PolarHBondContact O-N 3.38Å; D1158-T1162 PolarHBondContact O-OG1 3.32Å; D1158-T1162 VanDerWaalsContact O-OG1 3.11Å |
| 1159 | R | 67 | Low | 57.4 | Low | 136 Ų | 136 | 71.6 Ų | 71.6 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.6 | -78 | -177 | 149 | -151.5 | -9.5 | 111.5 | V1108 N1156 K1161 T1162 V1163 | V1108-R1159 HydrophobicContact CG2-CB 4.49Å; N1156-R1159 PolarHBondContact O-N 3.36Å; R1159-K1161 VanDerWaalsContact C-N 3.33Å; R1159-K1161 PolarHBondContact O-N 2.85Å; R1159-T1162 WeakPolarHBondContact CA-OG1 3.19Å; R1159-T1162 PolarHBondContact O-N 3.42Å; R1159-T1162 PolarHBondContact O-OG1 3.27Å; R1159-V1163 VanDerWaalsContact O-CG2 3.31Å; R1159-V1163 WeakPolarHBondContact O-CG2 3.16Å; R1159-V1163 PolarHBondContact O-N 3.17Å |
| 1160 | L | 69.5 | Low | 59.6 | Low | 7 Ų | 7 | 68.6 Ų | 68.6 | 4% | 0.037 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 177 | -171.8 | 59.2 | 0 | 0 | 0 | 111.2 | F1105 V1108 N1156 A1157 T1162 V1163 I1164 L1388 | F1105-L1160 HydrophobicContact CD1-CD1 3.95Å; F1105-L1160 HydrophobicContact CE1-CD1 4.07Å; V1108-L1160 HydrophobicContact CB-CD1 4.44Å; V1108-L1160 HydrophobicContact CG1-CB 3.82Å; V1108-L1160 HydrophobicContact CG1-CD1 3.92Å; V1108-L1160 HydrophobicContact CG1-CG 4.38Å; N1156-L1160 WeakPolarHBondContact O-CB 3.44Å; N1156-L1160 PolarHBondContact O-N 3.32Å; A1157-L1160 PolarHBondContact O-N 3.37Å; L1160-T1162 VanDerWaalsContact C-N 3.32Å; L1160-T1162 PolarHBondContact O-N 3.2Å; L1160-V1163 PolarHBondContact O-N 3.5Å; L1160-V1163 VanDerWaalsContact O-N 3.15Å; L1160-I1164 HydrophobicContact CD1-CD1 4.41Å; L1160-I1164 HydrophobicContact CD1-CG1 4.47Å; L1160-I1164 HydrophobicContact CD2-CD1 4.47Å; L1160-I1164 HydrophobicContact CG-CD1 3.87Å; L1160-I1164 HydrophobicContact CG-CG1 4.35Å; L1160-I1164 WeakPolarHBondContact O-CB 3.28Å; L1160-I1164 VanDerWaalsContact O-CG1 3.27Å; L1160-I1164 WeakPolarHBondContact O-CG1 3.42Å; L1160-I1164 PolarHBondContact O-N 2.69Å; L1160-L1388 HydrophobicContact CD2-CD1 3.85Å; L1160-L1388 HydrophobicContact CD2-CD2 4.11Å; L1160-L1388 HydrophobicContact CD2-CG 4.49Å |
| 1161 | K | 70.8 | Confident | 61.7 | Low | 116 Ų | 116 | 64.9 Ų | 64.9 | 50% | 0.504 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.8 | -39 | 177 | -170.4 | 173.7 | -176.6 | 174 | 0 | 112.4 | A1157 D1158 R1159 N1165 | A1157-K1161 WeakPolarHBondContact O-CB 3.4Å; A1157-K1161 PolarHBondContact O-N 3.34Å; D1158-K1161 PolarHBondContact O-N 3.13Å; R1159-K1161 VanDerWaalsContact C-N 3.33Å; R1159-K1161 PolarHBondContact O-N 2.85Å; K1161-N1165 WeakPolarHBondContact O-CB 3.45Å; K1161-N1165 VanDerWaalsContact O-CG 3.24Å; K1161-N1165 PolarHBondContact O-N 2.99Å; K1161-N1165 PolarHBondContact O-ND2 3.42Å |
| 1162 | T | 72.9 | Confident | 63.6 | Low | 78 Ų | 78 | 59.9 Ų | 59.9 | 48% | 0.479 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 173.4 | 34.5 | 0 | 0 | 0 | 0 | 112.6 | D1158 R1159 L1160 N1165 E1166 | D1158-T1162 PolarHBondContact O-N 3.38Å; D1158-T1162 PolarHBondContact O-OG1 3.32Å; D1158-T1162 VanDerWaalsContact O-OG1 3.11Å; R1159-T1162 WeakPolarHBondContact CA-OG1 3.19Å; R1159-T1162 PolarHBondContact O-N 3.42Å; R1159-T1162 PolarHBondContact O-OG1 3.27Å; L1160-T1162 VanDerWaalsContact C-N 3.32Å; L1160-T1162 PolarHBondContact O-N 3.2Å; T1162-N1165 PolarHBondContact O-N 3.31Å; T1162-E1166 WeakPolarHBondContact O-CG 3.48Å; T1162-E1166 PolarHBondContact O-N 2.84Å |
| 1163 | V | 73.8 | Confident | 64.7 | Low | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 179.2 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | I1101 H1104 F1105 V1108 R1159 L1160 N1165 E1166 F1167 | I1101-V1163 HydrophobicContact CG2-CG1 4.15Å; H1104-V1163 HydrophobicContact CB-CG1 4.35Å; H1104-V1163 HydrophobicContact CB-CG2 4.38Å; H1104-V1163 WeakPolarHBondContact CE1-CG2 3.45Å; H1104-V1163 WeakPolarHBondContact ND1-CG2 3.35Å; F1105-V1163 HydrophobicContact CD1-CB 4.42Å; F1105-V1163 HydrophobicContact CD1-CG1 3.65Å; F1105-V1163 HydrophobicContact CD2-CG1 3.81Å; F1105-V1163 HydrophobicContact CE1-CB 4.26Å; F1105-V1163 HydrophobicContact CE1-CG1 3.68Å; F1105-V1163 HydrophobicContact CE2-CG1 3.84Å; F1105-V1163 HydrophobicContact CG-CG1 3.73Å; F1105-V1163 HydrophobicContact CZ-CG1 3.79Å; V1108-V1163 HydrophobicContact CG2-CG2 4.4Å; R1159-V1163 VanDerWaalsContact O-CG2 3.31Å; R1159-V1163 WeakPolarHBondContact O-CG2 3.16Å; R1159-V1163 PolarHBondContact O-N 3.17Å; L1160-V1163 PolarHBondContact O-N 3.5Å; L1160-V1163 VanDerWaalsContact O-N 3.15Å; V1163-N1165 VanDerWaalsContact C-N 3.32Å; V1163-N1165 PolarHBondContact O-N 3.4Å; V1163-E1166 PolarHBondContact O-N 2.88Å; V1163-F1167 WeakPolarHBondContact O-CB 3.32Å; V1163-F1167 PolarHBondContact O-N 3.5Å |
| 1164 | I | 73.4 | Confident | 66 | Low | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.6 | -48.9 | 174 | -72.5 | 174 | 0 | 0 | 0 | 109.3 | F1105 L1160 E1166 F1167 Y1168 L1388 W1389 | F1105-I1164 HydrophobicContact CE1-CG1 3.73Å; F1105-I1164 HydrophobicContact CZ-CG1 4.08Å; L1160-I1164 HydrophobicContact CD1-CD1 4.41Å; L1160-I1164 HydrophobicContact CD1-CG1 4.47Å; L1160-I1164 HydrophobicContact CD2-CD1 4.47Å; L1160-I1164 HydrophobicContact CG-CD1 3.87Å; L1160-I1164 HydrophobicContact CG-CG1 4.35Å; L1160-I1164 WeakPolarHBondContact O-CB 3.28Å; L1160-I1164 VanDerWaalsContact O-CG1 3.27Å; L1160-I1164 WeakPolarHBondContact O-CG1 3.42Å; L1160-I1164 PolarHBondContact O-N 2.69Å; I1164-E1166 VanDerWaalsContact C-N 3.34Å; I1164-E1166 PolarHBondContact O-N 2.92Å; I1164-F1167 WeakPolarHBondContact O-CB 3.36Å; I1164-F1167 PolarHBondContact O-N 3.3Å; I1164-Y1168 HydrophobicContact CG2-CD2 3.39Å; I1164-Y1168 HydrophobicContact CG2-CE2 3.34Å; I1164-Y1168 WeakPolarHBondContact O-CB 3.28Å; I1164-Y1168 WeakPolarHBondContact O-CD2 3.29Å; I1164-Y1168 PolarHBondContact O-N 2.91Å; I1164-L1388 HydrophobicContact CD1-CB 4.44Å; I1164-W1389 HydrophobicContact CD1-CD2 4.24Å; I1164-W1389 HydrophobicContact CD1-CZ2 4.32Å; I1164-W1389 HydrophobicContact CG1-CH2 4.36Å; I1164-W1389 HydrophobicContact CG1-CZ2 4.32Å; I1164-W1389 HydrophobicContact CG2-CD2 4.43Å; I1164-W1389 HydrophobicContact CG2-CE3 3.95Å; I1164-W1389 HydrophobicContact CG2-CZ3 4.05Å |
| 1165 | N | 73.9 | Confident | 67.4 | Low | 71 Ų | 71 | 48.3 Ų | 48.3 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.8 | -36.4 | 177.6 | -73 | -20.5 | 0 | 0 | 0 | 113.5 | K1161 T1162 V1163 G1169 | K1161-N1165 WeakPolarHBondContact O-CB 3.45Å; K1161-N1165 VanDerWaalsContact O-CG 3.24Å; K1161-N1165 PolarHBondContact O-N 2.99Å; K1161-N1165 PolarHBondContact O-ND2 3.42Å; T1162-N1165 PolarHBondContact O-N 3.31Å; V1163-N1165 VanDerWaalsContact C-N 3.32Å; V1163-N1165 PolarHBondContact O-N 3.4Å; N1165-G1169 PolarHBondContact O-N 3.09Å |
| 1166 | E | 73.5 | Confident | 68.3 | Low | 99 Ų | 99 | 47.2 Ų | 47.2 | 46% | 0.463 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 174.2 | -73.7 | -177.6 | 175.8 | 0 | 0 | 111.8 | I1101 T1162 V1163 I1164 G1169 L1170 | I1101-E1166 HydrophobicContact CD1-CB 4.29Å; I1101-E1166 HydrophobicContact CG1-CB 4.41Å; T1162-E1166 WeakPolarHBondContact O-CG 3.48Å; T1162-E1166 PolarHBondContact O-N 2.84Å; V1163-E1166 PolarHBondContact O-N 2.88Å; I1164-E1166 VanDerWaalsContact C-N 3.34Å; I1164-E1166 PolarHBondContact O-N 2.92Å; E1166-G1169 PolarHBondContact O-N 2.71Å; E1166-L1170 WeakPolarHBondContact O-CB 3.38Å; E1166-L1170 PolarHBondContact O-N 3.5Å |
| 1167 | F | 77.2 | Confident | 68.3 | Low | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -48.3 | 175.7 | -177.7 | -104.7 | 0 | 0 | 0 | 111.9 | L1098 I1101 L1102 F1105 V1163 I1164 L1170 I1171 L1272 I1279 | L1098-F1167 HydrophobicContact CD1-CD2 4.39Å; L1098-F1167 HydrophobicContact CD1-CE2 4.18Å; I1101-F1167 HydrophobicContact CG2-CB 3.82Å; I1101-F1167 HydrophobicContact CG2-CD2 4.03Å; I1101-F1167 HydrophobicContact CG2-CG 4.42Å; L1102-F1167 HydrophobicContact CD2-CE2 4.16Å; F1105-F1167 HydrophobicContact CE2-CB 3.71Å; F1105-F1167 HydrophobicContact CE2-CD1 4.38Å; F1105-F1167 AromaticContact CE2-CD2 3.77Å; F1105-F1167 HydrophobicContact CE2-CD2 3.77Å; F1105-F1167 HydrophobicContact CE2-CE2 4.42Å; F1105-F1167 AromaticContact CE2-CG 3.72Å; F1105-F1167 HydrophobicContact CE2-CG 3.72Å; F1105-F1167 HydrophobicContact CZ-CB 3.88Å; F1105-F1167 HydrophobicContact CZ-CD1 4.45Å; F1105-F1167 HydrophobicContact CZ-CG 4.09Å; V1163-F1167 WeakPolarHBondContact O-CB 3.32Å; V1163-F1167 PolarHBondContact O-N 3.5Å; I1164-F1167 WeakPolarHBondContact O-CB 3.36Å; I1164-F1167 PolarHBondContact O-N 3.3Å; F1167-L1170 PolarHBondContact O-N 3.26Å; F1167-I1171 HydrophobicContact CD1-CD1 3.85Å; F1167-I1171 HydrophobicContact CD2-CD1 3.82Å; F1167-I1171 HydrophobicContact CE1-CD1 3.36Å; F1167-I1171 HydrophobicContact CE2-CD1 3.34Å; F1167-I1171 HydrophobicContact CE2-CG1 4.49Å; F1167-I1171 HydrophobicContact CG-CD1 4.08Å; F1167-I1171 HydrophobicContact CZ-CD1 3.1Å; F1167-I1171 PolarHBondContact O-N 3.19Å; F1167-L1272 HydrophobicContact CE2-CD1 4.08Å; F1167-L1272 HydrophobicContact CZ-CD1 4.2Å; F1167-I1279 HydrophobicContact CE1-CD1 4.17Å |
| 1168 | Y | 73.5 | Confident | 67.8 | Low | 6 Ų | 6 | 49.6 Ų | 49.6 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 174.9 | -87.4 | -73.6 | 0 | 0 | 0 | 112.1 | I1164 L1170 I1171 I1172 I1279 Q1282 W1389 L1391 | I1164-Y1168 HydrophobicContact CG2-CD2 3.39Å; I1164-Y1168 HydrophobicContact CG2-CE2 3.34Å; I1164-Y1168 WeakPolarHBondContact O-CB 3.28Å; I1164-Y1168 WeakPolarHBondContact O-CD2 3.29Å; I1164-Y1168 PolarHBondContact O-N 2.91Å; Y1168-L1170 VanDerWaalsContact C-N 3.28Å; Y1168-L1170 PolarHBondContact O-N 3.38Å; Y1168-I1171 PolarHBondContact O-N 3.33Å; Y1168-I1172 HydrophobicContact CD1-CD1 3.57Å; Y1168-I1172 HydrophobicContact CD1-CG1 4.21Å; Y1168-I1172 HydrophobicContact CE1-CD1 4.17Å; Y1168-I1172 VanDerWaalsContact O-CB 3.28Å; Y1168-I1172 WeakPolarHBondContact O-CB 3.45Å; Y1168-I1172 PolarHBondContact O-N 3.03Å; Y1168-I1279 HydrophobicContact CD1-CD1 4.32Å; Y1168-I1279 HydrophobicContact CD1-CG1 3.95Å; Y1168-I1279 HydrophobicContact CE1-CB 4.43Å; Y1168-I1279 HydrophobicContact CE1-CD1 4.22Å; Y1168-I1279 HydrophobicContact CE1-CG1 3.38Å; Y1168-Q1282 VanDerWaalsContact OH-CD 3.28Å; Y1168-Q1282 PolarHBondContact OH-NE2 3.06Å; Y1168-Q1282 PolarHBondContact OH-OE1 3.29Å; Y1168-W1389 HydrophobicContact CD2-CE3 4.43Å; Y1168-W1389 HydrophobicContact CD2-CZ3 4.22Å; Y1168-W1389 HydrophobicContact CE2-CD2 4.49Å; Y1168-W1389 AromaticContact CE2-CE3 3.28Å; Y1168-W1389 HydrophobicContact CE2-CE3 3.28Å; Y1168-W1389 AromaticContact CE2-CZ3 3.38Å; Y1168-W1389 HydrophobicContact CE2-CZ3 3.38Å; Y1168-W1389 AromaticContact CZ-CE3 3.54Å; Y1168-W1389 AromaticContact CZ-CZ3 3.74Å; Y1168-L1391 HydrophobicContact CD1-CD1 4.01Å; Y1168-L1391 HydrophobicContact CD2-CD1 3.2Å; Y1168-L1391 HydrophobicContact CE1-CD1 3.81Å; Y1168-L1391 HydrophobicContact CE2-CD1 3.05Å; Y1168-L1391 HydrophobicContact CG-CD1 3.69Å |
| 1169 | G | 69 | Low | 66.4 | Low | 33 Ų | 33 | 48.9 Ų | 48.9 | 34% | 0.34 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.6 | -41.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1165 E1166 H1173 | N1165-G1169 PolarHBondContact O-N 3.09Å; E1166-G1169 PolarHBondContact O-N 2.71Å; G1169-H1173 WeakPolarHBondContact O-CB 3.31Å; G1169-H1173 PolarHBondContact O-N 2.93Å |
| 1170 | L | 73.5 | Confident | 64.6 | Low | 21 Ų | 21 | 48.7 Ų | 48.7 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.6 | -44.5 | 178.8 | -165.5 | 74 | 0 | 0 | 0 | 112.4 | D1097 L1098 I1101 E1166 F1167 Y1168 G1174 I1221 | D1097-L1170 HydrophobicContact CB-CD1 4.49Å; D1097-L1170 HydrophobicContact CB-CD2 4.48Å; L1098-L1170 HydrophobicContact CB-CD2 4Å; L1098-L1170 HydrophobicContact CD1-CD2 4.04Å; I1101-L1170 HydrophobicContact CD1-CB 4.47Å; I1101-L1170 HydrophobicContact CD1-CD2 3.82Å; E1166-L1170 WeakPolarHBondContact O-CB 3.38Å; E1166-L1170 PolarHBondContact O-N 3.5Å; F1167-L1170 PolarHBondContact O-N 3.26Å; Y1168-L1170 VanDerWaalsContact C-N 3.28Å; Y1168-L1170 PolarHBondContact O-N 3.38Å; L1170-G1174 WeakPolarHBondContact O-CA 3.13Å; L1170-G1174 PolarHBondContact O-N 3.29Å; L1170-I1221 HydrophobicContact CD1-CD1 4.09Å; L1170-I1221 HydrophobicContact CD1-CG1 4.5Å; L1170-I1221 HydrophobicContact CD2-CD1 3.46Å; L1170-I1221 VanDerWaalsContact CD2-CD1 3.46Å; L1170-I1221 HydrophobicContact CG-CD1 3.68Å; L1170-I1221 HydrophobicContact CG-CG1 4.49Å |
| 1171 | I | 73.6 | Confident | 62.5 | Low | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -78.6 | -47.1 | -175.3 | -68.6 | 173.7 | 0 | 0 | 0 | 112.1 | F1167 Y1168 C1175 L1176 F1276 I1279 | F1167-I1171 HydrophobicContact CD1-CD1 3.85Å; F1167-I1171 HydrophobicContact CD2-CD1 3.82Å; F1167-I1171 HydrophobicContact CE1-CD1 3.36Å; F1167-I1171 HydrophobicContact CE2-CD1 3.34Å; F1167-I1171 HydrophobicContact CE2-CG1 4.49Å; F1167-I1171 HydrophobicContact CG-CD1 4.08Å; F1167-I1171 HydrophobicContact CZ-CD1 3.1Å; F1167-I1171 PolarHBondContact O-N 3.19Å; Y1168-I1171 PolarHBondContact O-N 3.33Å; I1171-C1175 WeakPolarHBondContact O-CA 3.44Å; I1171-C1175 VanDerWaalsContact O-CB 3.29Å; I1171-C1175 WeakPolarHBondContact O-CB 3.4Å; I1171-C1175 PolarHBondContact O-N 3.47Å; I1171-L1176 HydrophobicContact CG2-CD1 3.73Å; I1171-L1176 HydrophobicContact CG2-CG 4.22Å; I1171-L1176 PolarHBondContact O-N 3.24Å; I1171-F1276 HydrophobicContact CD1-CD2 4.34Å; I1171-F1276 HydrophobicContact CD1-CE2 3.7Å; I1171-F1276 HydrophobicContact CD1-CZ 4.12Å; I1171-F1276 HydrophobicContact CG1-CE2 4.5Å; I1171-F1276 HydrophobicContact CG2-CE1 4.16Å; I1171-F1276 HydrophobicContact CG2-CE2 4.42Å; I1171-F1276 HydrophobicContact CG2-CZ 3.8Å; I1171-I1279 HydrophobicContact CD1-CD1 4.46Å; I1171-I1279 HydrophobicContact CG2-CD1 4.13Å |
| 1172 | I | 67.5 | Low | 60.5 | Low | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -71.5 | -55.2 | -176.9 | -66.8 | -175.7 | 0 | 0 | 0 | 110.6 | Y1168 L1176 V1177 L1393 I1399 | Y1168-I1172 HydrophobicContact CD1-CD1 3.57Å; Y1168-I1172 HydrophobicContact CD1-CG1 4.21Å; Y1168-I1172 HydrophobicContact CE1-CD1 4.17Å; Y1168-I1172 VanDerWaalsContact O-CB 3.28Å; Y1168-I1172 WeakPolarHBondContact O-CB 3.45Å; Y1168-I1172 PolarHBondContact O-N 3.03Å; I1172-L1176 HydrophobicContact CG1-CD1 4.47Å; I1172-V1177 HydrophobicContact CG2-CG2 4.13Å; I1172-V1177 WeakPolarHBondContact O-CB 3.36Å; I1172-V1177 WeakPolarHBondContact O-CG2 3.41Å; I1172-V1177 PolarHBondContact O-N 2.94Å; I1172-L1393 HydrophobicContact CD1-CD2 3.65Å; I1172-I1399 HydrophobicContact CG2-CD1 4.04Å |
| 1173 | H | 62.1 | Low | 58.6 | Low | 136 Ų | 136 | 56.9 Ų | 56.9 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | I | π-helix | trans | -81 | -20.8 | -176.5 | -64.5 | -76.2 | 0 | 0 | 0 | 113.3 | G1169 | G1169-H1173 WeakPolarHBondContact O-CB 3.31Å; G1169-H1173 PolarHBondContact O-N 2.93Å |
| 1174 | G | 59.5 | Low | 56.6 | Low | 25 Ų | 25 | 63.9 Ų | 63.9 | 26% | 0.258 | 38% | 0.377 | S | S | . | . | I | π-helix | trans | -96.3 | -40 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | L1170 | L1170-G1174 WeakPolarHBondContact O-CA 3.13Å; L1170-G1174 PolarHBondContact O-N 3.29Å |
| 1175 | C | 63 | Low | 54.7 | Low | 23 Ų | 23 | 68.2 Ų | 68.2 | 16% | 0.155 | 40% | 0.404 | C | S | . | . | I | π-helix | trans | -107.3 | -44 | -173.8 | -59.4 | 0 | 0 | 0 | 0 | 114.1 | I1171 I1221 | I1171-C1175 WeakPolarHBondContact O-CA 3.44Å; I1171-C1175 VanDerWaalsContact O-CB 3.29Å; I1171-C1175 WeakPolarHBondContact O-CB 3.4Å; I1171-C1175 PolarHBondContact O-N 3.47Å; C1175-I1221 VanDerWaalsContact SG-CB 3.59Å; C1175-I1221 PolarHBondContact SG-O 3.24Å; C1175-I1221 VanDerWaalsContact SG-O 3.37Å |
| 1176 | L | 61.5 | Low | 52.7 | Low | 29 Ų | 29 | 71.2 Ų | 71.2 | 15% | 0.152 | 42% | 0.418 | C | S | . | . | I | π-helix | trans | -93.1 | -34.4 | -166.9 | -65.8 | 168.6 | 0 | 0 | 0 | 113.8 | I1171 I1172 S1178 I1399 L1404 | I1171-L1176 HydrophobicContact CG2-CD1 3.73Å; I1171-L1176 HydrophobicContact CG2-CG 4.22Å; I1171-L1176 PolarHBondContact O-N 3.24Å; I1172-L1176 HydrophobicContact CG1-CD1 4.47Å; L1176-S1178 PolarHBondContact O-N 3.39Å; L1176-I1399 HydrophobicContact CB-CD1 4.44Å; L1176-L1404 HydrophobicContact CD1-CD2 3.6Å; L1176-L1404 HydrophobicContact CD2-CD2 3.8Å; L1176-L1404 HydrophobicContact CG-CD2 4.37Å |
| 1177 | V | 56.7 | Low | 50.7 | Low | 45 Ų | 45 | 73.3 Ų | 73.3 | 27% | 0.273 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -91.6 | 94.9 | 173.1 | -179 | 0 | 0 | 0 | 0 | 108 | I1172 A1179 I1399 | I1172-V1177 HydrophobicContact CG2-CG2 4.13Å; I1172-V1177 WeakPolarHBondContact O-CB 3.36Å; I1172-V1177 WeakPolarHBondContact O-CG2 3.41Å; I1172-V1177 PolarHBondContact O-N 2.94Å; V1177-A1179 PolarHBondContact O-N 3.35Å; V1177-I1399 HydrophobicContact CG2-CD1 4.42Å; V1177-I1399 HydrophobicContact CG2-CG1 4.36Å |
| 1178 | S | 47 | Very low | 48.6 | Very low | 90 Ų | 90 | 80.5 Ų | 80.5 | 63% | 0.629 | 47% | 0.471 | S | S | * | . | trans | -56 | 132.5 | 167.8 | -76.6 | 0 | 0 | 0 | 0 | 109.2 | L1176 N1180 | L1176-S1178 PolarHBondContact O-N 3.39Å; S1178-N1180 PolarHBondContact O-N 3.22Å | ||
| 1179 | A | 35.4 | Very low | 46.5 | Very low | 101 Ų | 101 | 86.6 Ų | 86.6 | 84% | 0.835 | 50% | 0.504 | S | S | * | . | trans | -59 | 92 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | V1177 N1181 | V1177-A1179 PolarHBondContact O-N 3.35Å; A1179-N1181 PolarHBondContact O-N 3.1Å | ||
| 1180 | N | 28.7 | Very low | 44.6 | Very low | 131 Ų | 131 | 89.1 Ų | 89.1 | 70% | 0.701 | 52% | 0.522 | S | S | * | . | trans | -53.9 | 125.7 | 175.5 | -83 | -29.5 | 0 | 0 | 0 | 109.4 | S1178 | S1178-N1180 PolarHBondContact O-N 3.22Š| ||
| 1181 | N | 26.9 | Very low | 42.5 | Very low | 147 Ų | 147 | 96.3 Ų | 96.3 | 79% | 0.786 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 85.2 | 55.5 | 152.1 | -51 | -25.8 | 0 | 0 | 0 | 119.3 | A1179 | A1179-N1181 PolarHBondContact O-N 3.1Š|
| 1182 | S | 28.9 | Very low | 40.4 | Very low | 98 Ų | 98 | 101.8 Ų | 101.8 | 69% | 0.685 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -170.1 | 111.3 | 144.1 | 54 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1183 | I | 32 | Very low | 38.5 | Very low | 128 Ų | 128 | 104.8 Ų | 104.8 | 66% | 0.656 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 154.8 | -33.7 | 141.5 | -76.4 | 154.3 | 0 | 0 | 0 | 111.6 | ||
| 1184 | D | 32.4 | Very low | 37 | Very low | 148 Ų | 148 | 104 Ų | 104 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -5.3 | -176.7 | -70.6 | -23.9 | 0 | 0 | 0 | 116 | ||
| 1185 | T | 33.3 | Very low | 35.5 | Very low | 95 Ų | 95 | 111.9 Ų | 111.9 | 58% | 0.583 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -1.4 | 173.2 | 34.7 | 0 | 0 | 0 | 0 | 114.5 | L1189 | T1185-L1189 WeakPolarHBondContact O-CD1 3.48Š|
| 1186 | I | 32 | Very low | 33.8 | Very low | 133 Ų | 133 | 119.7 Ų | 119.7 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -89.6 | -20 | -176.1 | -65.8 | 178.1 | 0 | 0 | 0 | 113.3 | ||
| 1187 | N | 31 | Very low | 32.3 | Very low | 143 Ų | 143 | 123.4 Ų | 123.4 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -104.4 | -5 | -176 | -72 | -19.2 | 0 | 0 | 0 | 116 | ||
| 1188 | N | 33.3 | Very low | 31.1 | Very low | 151 Ų | 151 | 127 Ų | 127 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -116.2 | 11.6 | 178.9 | -73.4 | -32.3 | 0 | 0 | 0 | 114.5 | ||
| 1189 | L | 28.8 | Very low | 30.3 | Very low | 134 Ų | 134 | 131 Ų | 131 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | trans | -111.6 | 13.8 | -178.6 | -94.9 | 160.8 | 0 | 0 | 0 | 114.6 | T1185 | T1185-L1189 WeakPolarHBondContact O-CD1 3.48Š| ||
| 1190 | A | 29.6 | Very low | 30 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -102.1 | 71.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1191 | L | 28.9 | Very low | 30.1 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 167.9 | 68.3 | 158 | -90 | 156.6 | 0 | 0 | 0 | 110.6 | ||
| 1192 | S | 30.4 | Very low | 30.2 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 174.5 | 113.8 | 144.1 | 39.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1193 | G | 27.8 | Very low | 30.2 | Very low | 68 Ų | 68 | 144.1 Ų | 144.1 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -83.9 | 163.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1194 | S | 29.8 | Very low | 30 | Very low | 121 Ų | 121 | 147 Ų | 147 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | 66 | 120.9 | 173 | 57.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1195 | E | 28.9 | Very low | 29.9 | Very low | 189 Ų | 189 | 151.7 Ų | 151.7 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | cis | -149.8 | 139.2 | 48 | -70 | 177.8 | 150.8 | 0 | 0 | 112.9 | ||||
| 1196 | Q | 26.8 | Very low | 29.6 | Very low | 187 Ų | 187 | 152.4 Ų | 152.4 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -78.1 | 142 | 165.2 | -72.4 | 167.6 | -38.4 | 0 | 0 | 109.7 | ||||
| 1197 | S | 29.3 | Very low | 29.3 | Very low | 108 Ų | 108 | 151.9 Ų | 151.9 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | 152.6 | 150.5 | 110 | 60.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 1198 | V | 31.1 | Very low | 29.1 | Very low | 121 Ų | 121 | 156 Ų | 156 | 73% | 0.733 | 83% | 0.831 | S | S | * | * | trans | 84.3 | 94.2 | 156 | -142 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1199 | L | 31.8 | Very low | 28.6 | Very low | 174 Ų | 174 | 156.7 Ų | 156.7 | 91% | 0.911 | 83% | 0.834 | S | S | * | * | 179.6 | 122.1 | 100.2 | -90.3 | 171.5 | 0 | 0 | 0 | 111.2 | |||||
| 1200 | Q | 28.6 | Very low | 28.5 | Very low | 180 Ų | 180 | 161 Ų | 161 | 84% | 0.841 | 84% | 0.843 | S | S | * | * | trans | -112 | 123.5 | -170.5 | 175.6 | -176.8 | 44.6 | 0 | 0 | 106.7 | ||||
| 1201 | Q | 29.5 | Very low | 28.3 | Very low | 190 Ų | 190 | 165.3 Ų | 165.3 | 89% | 0.888 | 85% | 0.848 | S | S | * | * | trans | 173.8 | 90.8 | 148.8 | -99.2 | 169.2 | 25.4 | 0 | 0 | 111.4 | ||||
| 1202 | Q | 29.6 | Very low | 28 | Very low | 195 Ų | 195 | 162.4 Ų | 162.4 | 91% | 0.911 | 84% | 0.842 | S | S | * | * | trans | 169.8 | 83 | 133.4 | -92.9 | 178.9 | -1.4 | 0 | 0 | 109.3 | ||||
| 1203 | H | 28.7 | Very low | 27.6 | Very low | 187 Ų | 187 | 163.6 Ų | 163.6 | 87% | 0.866 | 84% | 0.839 | S | S | * | * | trans | -127.2 | 127.9 | 161.3 | -103.1 | 31.9 | 0 | 0 | 0 | 106.3 | ||||
| 1204 | Q | 28.9 | Very low | 27.5 | Very low | 188 Ų | 188 | 165.9 Ų | 165.9 | 88% | 0.879 | 84% | 0.844 | S | S | * | * | trans | 156.1 | 118.4 | 136 | -87.4 | 177 | 4.2 | 0 | 0 | 112.5 | ||||
| 1205 | R | 28.9 | Very low | 27.4 | Very low | 247 Ų | 247 | 168.2 Ų | 168.2 | 93% | 0.932 | 85% | 0.846 | S | S | * | * | trans | 142.7 | 118.2 | 151.2 | -82.7 | 172 | -176.3 | -173.3 | 2.9 | 106.3 | ||||
| 1206 | S | 28.5 | Very low | 27.4 | Very low | 109 Ų | 109 | 164.5 Ų | 164.5 | 76% | 0.762 | 84% | 0.841 | S | S | * | * | cis | -171.4 | 130.9 | 16.1 | 35.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1207 | S | 24.6 | Very low | 27.7 | Very low | 123 Ų | 123 | 162.8 Ų | 162.8 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | -69.1 | 120.2 | 162.8 | 36.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1208 | R | 26.6 | Very low | 28.1 | Very low | 230 Ų | 230 | 169.2 Ų | 169.2 | 87% | 0.868 | 85% | 0.846 | S | S | * | * | trans | -146.4 | 119.4 | 158.2 | -100.7 | -177.7 | -177.3 | 173 | 0.4 | 110.1 | Y1210 | R1208-Y1210 PolarHBondContact O-N 2.89Š| ||
| 1209 | N | 23.1 | Very low | 28.9 | Very low | 164 Ų | 164 | 164.9 Ų | 164.9 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | -28.1 | 118 | 172 | -62.1 | -22 | 0 | 0 | 0 | 115 | ||||
| 1210 | Y | 27.3 | Very low | 30 | Very low | 224 Ų | 224 | 158.6 Ų | 158.6 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | trans | -131.2 | 140.8 | 147.5 | -81 | -81.3 | 0 | 0 | 0 | 108.1 | R1208 | R1208-Y1210 PolarHBondContact O-N 2.89Š| ||
| 1211 | H | 24.8 | Very low | 31.7 | Very low | 178 Ų | 178 | 150.3 Ų | 150.3 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | -40.3 | 133.9 | -173.5 | -88.7 | -93.7 | 0 | 0 | 0 | 114.5 | D1213 | H1211-D1213 PolarHBondContact O-N 3.07Å; H1211-D1213 VanDerWaalsContact O-N 3.07Å | ||
| 1212 | S | 22.6 | Very low | 33.5 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -68.1 | 90.3 | 168.5 | 52.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1213 | D | 22.3 | Very low | 35.3 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | trans | -161.4 | 139.3 | 161.8 | -86.3 | -39.5 | 0 | 0 | 0 | 109 | H1211 | H1211-D1213 PolarHBondContact O-N 3.07Å; H1211-D1213 VanDerWaalsContact O-N 3.07Å | ||
| 1214 | S | 26.3 | Very low | 37.3 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 81% | 0.811 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 95 | 4.2 | 154.2 | 101.1 | 0 | 0 | 0 | 0 | 123.4 | ||
| 1215 | L | 27.6 | Very low | 39.1 | Very low | 170 Ų | 170 | 123 Ų | 123 | 89% | 0.89 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -114.5 | -7.1 | -176.8 | -82.6 | 151.3 | 0 | 0 | 0 | 117.1 | ||
| 1216 | S | 28.9 | Very low | 41.4 | Very low | 111 Ų | 111 | 111.3 Ų | 111.3 | 78% | 0.776 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -102.7 | -1.2 | -172 | 66.9 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1217 | N | 32 | Very low | 43.8 | Very low | 151 Ų | 151 | 108.3 Ų | 108.3 | 81% | 0.807 | 57% | 0.574 | S | S | * | * | trans | -118.3 | 23.9 | -169.6 | -76.1 | 8.8 | 0 | 0 | 0 | 115.1 | ||||
| 1218 | R | 37.7 | Very low | 46 | Very low | 243 Ų | 243 | 103.9 Ų | 103.9 | 92% | 0.917 | 54% | 0.541 | S | S | * | . | trans | -79.5 | 130.3 | 175.1 | -82.7 | -172 | 173.7 | -154.5 | -2.6 | 111.2 | G1220 | R1218-G1220 PolarHBondContact O-N 3.11Š| ||
| 1219 | S | 49.3 | Very low | 48.3 | Very low | 30 Ų | 30 | 93 Ų | 93 | 21% | 0.21 | 50% | 0.499 | C | S | . | . | trans | -55.6 | 95.3 | -174.2 | 36.8 | 0 | 0 | 0 | 0 | 113.4 | I1221 | S1219-I1221 PolarHBondContact O-N 3.25Š| ||
| 1220 | G | 54.2 | Low | 50.7 | Low | 42 Ų | 42 | 85.2 Ų | 85.2 | 43% | 0.433 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 120.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1218 | R1218-G1220 PolarHBondContact O-N 3.11Š|
| 1221 | I | 63.5 | Low | 52.9 | Low | 7 Ų | 7 | 76.6 Ų | 76.6 | 4% | 0.036 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 122.3 | 168.1 | -65.6 | 173.3 | 0 | 0 | 0 | 107.7 | G1094 L1098 L1170 C1175 S1219 L1226 | G1094-I1221 VanDerWaalsContact O-CD1 3.23Å; G1094-I1221 WeakPolarHBondContact O-CD1 3.34Å; L1098-I1221 HydrophobicContact CB-CD1 3.93Å; L1170-I1221 HydrophobicContact CD1-CD1 4.09Å; L1170-I1221 HydrophobicContact CD1-CG1 4.5Å; L1170-I1221 HydrophobicContact CD2-CD1 3.46Å; L1170-I1221 VanDerWaalsContact CD2-CD1 3.46Å; L1170-I1221 HydrophobicContact CG-CD1 3.68Å; L1170-I1221 HydrophobicContact CG-CG1 4.49Å; C1175-I1221 VanDerWaalsContact SG-CB 3.59Å; C1175-I1221 PolarHBondContact SG-O 3.24Å; C1175-I1221 VanDerWaalsContact SG-O 3.37Å; S1219-I1221 PolarHBondContact O-N 3.25Å; I1221-L1226 HydrophobicContact CG2-CB 4.48Å |
| 1222 | S | 67.3 | Low | 55.1 | Low | 37 Ų | 37 | 69.4 Ų | 69.4 | 26% | 0.259 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 140.7 | 171.3 | 44.5 | 0 | 0 | 0 | 0 | 110.5 | K1050 P1224 T1225 L1226 | K1050-S1222 PolarHBondContact NZ-OG 3.34Å; K1050-S1222 VanDerWaalsContact NZ-OG 3.1Å; S1222-P1224 VanDerWaalsContact C-N 3.33Å; S1222-T1225 WeakPolarHBondContact O-CA 3.47Å; S1222-T1225 VanDerWaalsContact O-CB 3.25Å; S1222-T1225 WeakPolarHBondContact O-CB 3.27Å; S1222-T1225 PolarHBondContact O-N 3.4Å; S1222-T1225 PolarHBondContact O-OG1 3.38Å; S1222-T1225 PolarHBondContact OG-OG1 3.42Å; S1222-L1226 PolarHBondContact O-N 3.03Å |
| 1223 | L | 69.1 | Low | 57.5 | Low | 55 Ų | 55 | 64.1 Ų | 64.1 | 29% | 0.288 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -50.2 | -41.3 | -179.7 | -164.6 | 77.5 | 0 | 0 | 0 | 114.9 | T1225 L1226 Y1227 H1407 | L1223-T1225 PolarHBondContact O-N 3.41Å; L1223-L1226 WeakPolarHBondContact O-CB 3.34Å; L1223-L1226 PolarHBondContact O-N 2.98Å; L1223-L1226 VanDerWaalsContact O-N 3.11Å; L1223-Y1227 HydrophobicContact CD2-CE2 3.79Å; L1223-Y1227 HydrophobicContact CG-CE2 3.81Å; L1223-Y1227 PolarHBondContact O-N 2.8Å; L1223-H1407 WeakPolarHBondContact CD1-CD2 3.36Å; L1223-H1407 WeakPolarHBondContact CD1-NE2 3.43Å; L1223-H1407 WeakPolarHBondContact CD2-NE2 3.11Å |
| 1224 | P | 69.4 | Low | 59.7 | Low | 80 Ų | 80 | 57.5 Ų | 57.5 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.6 | -32.5 | 175.2 | -24.2 | 35.9 | 0 | 0 | 0 | 113.6 | S1222 L1226 Y1227 I1228 | S1222-P1224 VanDerWaalsContact C-N 3.33Å; P1224-L1226 VanDerWaalsContact C-N 3.31Å; P1224-L1226 PolarHBondContact O-N 3.2Å; P1224-Y1227 PolarHBondContact O-N 2.92Å; P1224-I1228 VanDerWaalsContact O-CG1 3.3Å; P1224-I1228 WeakPolarHBondContact O-CG1 3.35Å; P1224-I1228 PolarHBondContact O-N 3.38Å; P1224-I1228 VanDerWaalsContact O-N 3.08Å |
| 1225 | T | 67.7 | Low | 61.6 | Low | 13 Ų | 13 | 53.5 Ų | 53.5 | 8% | 0.08 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.4 | -34.3 | 177.9 | -48.8 | 0 | 0 | 0 | 0 | 111.2 | S1222 L1223 I1228 I1229 | S1222-T1225 WeakPolarHBondContact O-CA 3.47Å; S1222-T1225 VanDerWaalsContact O-CB 3.25Å; S1222-T1225 WeakPolarHBondContact O-CB 3.27Å; S1222-T1225 PolarHBondContact O-N 3.4Å; S1222-T1225 PolarHBondContact O-OG1 3.38Å; S1222-T1225 PolarHBondContact OG-OG1 3.42Å; L1223-T1225 PolarHBondContact O-N 3.41Å; T1225-I1228 PolarHBondContact O-N 2.65Å; T1225-I1229 HydrophobicContact CG2-CD1 4.3Å; T1225-I1229 WeakPolarHBondContact O-CD1 3.39Å; T1225-I1229 VanDerWaalsContact O-CG1 3.23Å; T1225-I1229 WeakPolarHBondContact O-CG1 3.35Å; T1225-I1229 PolarHBondContact O-N 3.44Å |
| 1226 | L | 76.5 | Confident | 63.6 | Low | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 175.7 | -172.1 | 65.6 | 0 | 0 | 0 | 111.6 | L1098 I1221 S1222 L1223 P1224 I1229 S1230 L1272 F1276 F1411 | L1098-L1226 HydrophobicContact CD2-CD1 3.42Å; L1098-L1226 VanDerWaalsContact CD2-CD1 3.42Å; I1221-L1226 HydrophobicContact CG2-CB 4.48Å; S1222-L1226 PolarHBondContact O-N 3.03Å; L1223-L1226 WeakPolarHBondContact O-CB 3.34Å; L1223-L1226 PolarHBondContact O-N 2.98Å; L1223-L1226 VanDerWaalsContact O-N 3.11Å; P1224-L1226 VanDerWaalsContact C-N 3.31Å; P1224-L1226 PolarHBondContact O-N 3.2Å; L1226-I1229 PolarHBondContact O-N 3.5Å; L1226-S1230 PolarHBondContact O-N 3.24Å; L1226-L1272 HydrophobicContact CD1-CD1 4.27Å; L1226-L1272 HydrophobicContact CD1-CD2 4.43Å; L1226-F1276 HydrophobicContact CD2-CE2 4Å; L1226-F1276 HydrophobicContact CD2-CZ 3.61Å; L1226-F1411 HydrophobicContact CD2-CE1 4.41Å; L1226-F1411 HydrophobicContact CD2-CE2 4.2Å; L1226-F1411 HydrophobicContact CD2-CZ 3.49Å; L1226-F1411 VanDerWaalsContact CD2-CZ 3.49Å; L1226-F1411 HydrophobicContact CG-CE1 4.08Å; L1226-F1411 HydrophobicContact CG-CZ 3.64Å |
| 1227 | Y | 78.3 | Confident | 65.4 | Low | 47 Ų | 47 | 41 Ų | 41 | 18% | 0.184 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 174.7 | -62.5 | -39.5 | 0 | 0 | 0 | 112.2 | L1223 P1224 I1229 S1230 E1231 H1407 Y1410 F1411 | L1223-Y1227 HydrophobicContact CD2-CE2 3.79Å; L1223-Y1227 HydrophobicContact CG-CE2 3.81Å; L1223-Y1227 PolarHBondContact O-N 2.8Å; P1224-Y1227 PolarHBondContact O-N 2.92Å; Y1227-I1229 VanDerWaalsContact C-N 3.3Å; Y1227-I1229 PolarHBondContact O-N 3.19Å; Y1227-S1230 PolarHBondContact O-N 3.1Å; Y1227-S1230 VanDerWaalsContact O-N 3.11Å; Y1227-S1230 PolarHBondContact O-OG 2.83Å; Y1227-E1231 WeakPolarHBondContact O-CG 3.31Å; Y1227-E1231 PolarHBondContact O-N 3.27Å; Y1227-H1407 AromaticContact CZ-CD2 3.86Å; Y1227-H1407 PolarHBondContact OH-CD2 3.31Å; Y1227-Y1410 AromaticContact CD1-CD1 3.18Å; Y1227-Y1410 HydrophobicContact CD1-CD1 3.18Å; Y1227-Y1410 AromaticContact CD1-CE1 3.23Å; Y1227-Y1410 HydrophobicContact CD1-CE1 3.23Å; Y1227-Y1410 AromaticContact CD1-CG 3.97Å; Y1227-Y1410 HydrophobicContact CD1-CG 3.97Å; Y1227-Y1410 HydrophobicContact CD2-CE1 4.36Å; Y1227-Y1410 AromaticContact CE1-CD1 3.4Å; Y1227-Y1410 HydrophobicContact CE1-CD1 3.4Å; Y1227-Y1410 VanDerWaalsContact CE1-CD1 3.4Å; Y1227-Y1410 HydrophobicContact CE1-CD2 4.43Å; Y1227-Y1410 AromaticContact CE1-CE1 3.88Å; Y1227-Y1410 HydrophobicContact CE1-CE1 3.88Å; Y1227-Y1410 AromaticContact CE1-CG 3.72Å; Y1227-Y1410 HydrophobicContact CE1-CG 3.72Å; Y1227-Y1410 AromaticContact CG-CD1 3.96Å; Y1227-Y1410 HydrophobicContact CG-CD1 3.96Å; Y1227-Y1410 AromaticContact CG-CE1 3.52Å; Y1227-Y1410 HydrophobicContact CG-CE1 3.52Å; Y1227-Y1410 AromaticContact CG-CZ 3.96Å; Y1227-F1411 HydrophobicContact CD1-CD1 4.3Å; Y1227-F1411 AromaticContact CD1-CE1 3.52Å; Y1227-F1411 HydrophobicContact CD1-CE1 3.52Å; Y1227-F1411 HydrophobicContact CD1-CZ 4.07Å; Y1227-F1411 AromaticContact CE1-CE1 3.88Å; Y1227-F1411 HydrophobicContact CE1-CE1 3.88Å; Y1227-F1411 HydrophobicContact CE1-CZ 4.04Å |
| 1228 | I | 71.3 | Confident | 66.9 | Low | 30 Ų | 30 | 37.7 Ų | 37.7 | 15% | 0.154 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.4 | -41.6 | 176.7 | -65 | 164.6 | 0 | 0 | 0 | 111.2 | T1054 P1224 T1225 E1231 M1232 | T1054-I1228 HydrophobicContact CG2-CG2 3.97Å; P1224-I1228 VanDerWaalsContact O-CG1 3.3Å; P1224-I1228 WeakPolarHBondContact O-CG1 3.35Å; P1224-I1228 PolarHBondContact O-N 3.38Å; P1224-I1228 VanDerWaalsContact O-N 3.08Å; T1225-I1228 PolarHBondContact O-N 2.65Å; I1228-E1231 PolarHBondContact O-N 3.15Å; I1228-M1232 HydrophobicContact CG2-CE 3.74Å; I1228-M1232 HydrophobicContact CG2-CG 4.41Å; I1228-M1232 HydrophobicContact CG2-SD 4.04Å; I1228-M1232 WeakPolarHBondContact O-CB 3.34Å; I1228-M1232 WeakPolarHBondContact O-CG 3.04Å; I1228-M1232 PolarHBondContact O-N 3.29Å |
| 1229 | I | 75.2 | Confident | 68.1 | Low | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 176.3 | -67.9 | 163.6 | 0 | 0 | 0 | 110.6 | T1054 L1098 I1099 T1225 L1226 Y1227 M1232 L1233 | T1054-I1229 HydrophobicContact CG2-CG1 3.55Å; L1098-I1229 HydrophobicContact CD2-CD1 3.86Å; L1098-I1229 HydrophobicContact CD2-CG2 4.39Å; I1099-I1229 HydrophobicContact CG1-CG2 4.48Å; T1225-I1229 HydrophobicContact CG2-CD1 4.3Å; T1225-I1229 WeakPolarHBondContact O-CD1 3.39Å; T1225-I1229 VanDerWaalsContact O-CG1 3.23Å; T1225-I1229 WeakPolarHBondContact O-CG1 3.35Å; T1225-I1229 PolarHBondContact O-N 3.44Å; L1226-I1229 PolarHBondContact O-N 3.5Å; Y1227-I1229 VanDerWaalsContact C-N 3.3Å; Y1227-I1229 PolarHBondContact O-N 3.19Å; I1229-M1232 PolarHBondContact O-N 3.23Å; I1229-L1233 HydrophobicContact CG2-CD1 3.68Å; I1229-L1233 HydrophobicContact CG2-CG 4.1Å; I1229-L1233 WeakPolarHBondContact O-CB 3.47Å; I1229-L1233 VanDerWaalsContact O-CG 3.27Å; I1229-L1233 WeakPolarHBondContact O-CG 3.47Å; I1229-L1233 PolarHBondContact O-N 2.97Å |
| 1230 | S | 73.1 | Confident | 68.7 | Low | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 179.5 | 66.8 | 0 | 0 | 0 | 0 | 112.6 | L1226 Y1227 L1233 A1234 F1411 | L1226-S1230 PolarHBondContact O-N 3.24Å; Y1227-S1230 PolarHBondContact O-N 3.1Å; Y1227-S1230 VanDerWaalsContact O-N 3.11Å; Y1227-S1230 PolarHBondContact O-OG 2.83Å; S1230-L1233 PolarHBondContact O-N 3.42Å; S1230-A1234 PolarHBondContact O-N 2.77Å; S1230-A1234 VanDerWaalsContact O-N 3.16Å; S1230-F1411 WeakPolarHBondContact OG-CD1 3.46Å |
| 1231 | E | 72.9 | Confident | 69 | Low | 42 Ų | 42 | 29.4 Ų | 29.4 | 20% | 0.196 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 176.8 | -73.1 | 169 | -160.8 | 0 | 0 | 111 | Y1227 I1228 A1234 T1235 Y1410 W1414 | Y1227-E1231 WeakPolarHBondContact O-CG 3.31Å; Y1227-E1231 PolarHBondContact O-N 3.27Å; I1228-E1231 PolarHBondContact O-N 3.15Å; E1231-A1234 PolarHBondContact O-N 3.47Å; E1231-T1235 PolarHBondContact O-N 3.03Å; E1231-Y1410 PolarHBondContact OE1-OH 3.13Å; E1231-W1414 HydrophobicContact CG-CD2 4.15Å; E1231-W1414 HydrophobicContact CG-CG 4.31Å |
| 1232 | M | 71.7 | Confident | 68.9 | Low | 27 Ų | 27 | 31.3 Ų | 31.3 | 13% | 0.133 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.6 | -38.9 | 177.8 | -70 | -176.2 | 177.3 | 0 | 0 | 112.6 | L979 L982 T1054 A1055 C1058 I1228 I1229 A1234 T1235 I1236 | L979-M1232 HydrophobicContact CD2-CE 4.18Å; L982-M1232 HydrophobicContact CD1-SD 4.47Å; T1054-M1232 HydrophobicContact CG2-SD 3.96Å; A1055-M1232 HydrophobicContact CB-CE 4.28Å; C1058-M1232 HydrophobicContact CB-CB 4.13Å; C1058-M1232 HydrophobicContact CB-SD 4.16Å; I1228-M1232 HydrophobicContact CG2-CE 3.74Å; I1228-M1232 HydrophobicContact CG2-CG 4.41Å; I1228-M1232 HydrophobicContact CG2-SD 4.04Å; I1228-M1232 WeakPolarHBondContact O-CB 3.34Å; I1228-M1232 WeakPolarHBondContact O-CG 3.04Å; I1228-M1232 PolarHBondContact O-N 3.29Å; I1229-M1232 PolarHBondContact O-N 3.23Å; M1232-A1234 VanDerWaalsContact C-N 3.28Å; M1232-A1234 PolarHBondContact O-N 3.24Å; M1232-T1235 PolarHBondContact O-N 2.94Å; M1232-T1235 PolarHBondContact O-OG1 2.7Å; M1232-I1236 WeakPolarHBondContact O-CD1 3.13Å; M1232-I1236 WeakPolarHBondContact O-CG1 3.49Å; M1232-I1236 PolarHBondContact O-N 3.23Å |
| 1233 | L | 73.5 | Confident | 68.3 | Low | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.7 | -34.8 | 177.9 | -77.1 | 174.1 | 0 | 0 | 0 | 112.4 | L1061 L1102 I1229 S1230 I1236 G1265 L1268 | L1061-L1233 HydrophobicContact CD1-CD2 3.86Å; L1102-L1233 HydrophobicContact CD1-CD1 4.42Å; I1229-L1233 HydrophobicContact CG2-CD1 3.68Å; I1229-L1233 HydrophobicContact CG2-CG 4.1Å; I1229-L1233 WeakPolarHBondContact O-CB 3.47Å; I1229-L1233 VanDerWaalsContact O-CG 3.27Å; I1229-L1233 WeakPolarHBondContact O-CG 3.47Å; I1229-L1233 PolarHBondContact O-N 2.97Å; S1230-L1233 PolarHBondContact O-N 3.42Å; L1233-I1236 HydrophobicContact CD2-CD1 4.12Å; L1233-G1265 CarbonylContact O-C 3.54Å; L1233-L1268 HydrophobicContact CD1-CB 4.32Å; L1233-L1268 HydrophobicContact CD2-CB 4.21Å; L1233-L1268 HydrophobicContact CD2-CD1 4.09Å |
| 1234 | A | 67.5 | Low | 67.8 | Low | 3 Ų | 3 | 30.7 Ų | 30.7 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.6 | -38.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1230 E1231 M1232 L1269 V1418 | S1230-A1234 PolarHBondContact O-N 2.77Å; S1230-A1234 VanDerWaalsContact O-N 3.16Å; E1231-A1234 PolarHBondContact O-N 3.47Å; M1232-A1234 VanDerWaalsContact C-N 3.28Å; M1232-A1234 PolarHBondContact O-N 3.24Å; A1234-L1269 HydrophobicContact CB-CD2 4.01Å; A1234-V1418 HydrophobicContact CB-CB 4.43Å; A1234-V1418 HydrophobicContact CB-CG2 3.89Å |
| 1235 | T | 67.3 | Low | 67 | Low | 31 Ų | 31 | 31.9 Ų | 31.9 | 19% | 0.19 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -83.2 | -21.9 | -175.9 | 60.3 | 0 | 0 | 0 | 0 | 114.5 | E1231 M1232 D1237 E1238 I1239 | E1231-T1235 PolarHBondContact O-N 3.03Å; M1232-T1235 PolarHBondContact O-N 2.94Å; M1232-T1235 PolarHBondContact O-OG1 2.7Å; T1235-D1237 VanDerWaalsContact C-N 3.31Å; T1235-D1237 PolarHBondContact O-N 3.36Å; T1235-E1238 PolarHBondContact O-N 3.02Å; T1235-I1239 WeakPolarHBondContact O-CD1 3.32Å; T1235-I1239 VanDerWaalsContact O-CG1 3.22Å; T1235-I1239 WeakPolarHBondContact O-CG1 3.45Å; T1235-I1239 PolarHBondContact O-N 2.75Å |
| 1236 | I | 69.3 | Low | 66.1 | Low | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54 | -43.6 | -175 | -79.7 | 161.9 | 0 | 0 | 0 | 112.9 | C1058 L1061 M1062 M1232 L1233 A1240 | C1058-I1236 HydrophobicContact CB-CD1 3.85Å; L1061-I1236 HydrophobicContact CB-CD1 4.24Å; L1061-I1236 HydrophobicContact CD1-CD1 4.43Å; M1062-I1236 HydrophobicContact CB-CG1 4.48Å; M1062-I1236 HydrophobicContact CB-CG2 4.01Å; M1062-I1236 HydrophobicContact CG-CG2 4.45Å; M1232-I1236 WeakPolarHBondContact O-CD1 3.13Å; M1232-I1236 WeakPolarHBondContact O-CG1 3.49Å; M1232-I1236 PolarHBondContact O-N 3.23Å; L1233-I1236 HydrophobicContact CD2-CD1 4.12Å; I1236-A1240 WeakPolarHBondContact O-CB 3.49Å; I1236-A1240 PolarHBondContact O-N 3.07Å |
| 1237 | D | 65.8 | Low | 64.2 | Low | 17 Ų | 17 | 36.1 Ų | 36.1 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -76.3 | -36.9 | -173.7 | -69.3 | -26.7 | 0 | 0 | 0 | 112.1 | T1235 A1240 L1241 S1263 I1264 G1265 L1266 | T1235-D1237 VanDerWaalsContact C-N 3.31Å; T1235-D1237 PolarHBondContact O-N 3.36Å; D1237-A1240 PolarHBondContact O-N 2.98Å; D1237-L1241 WeakPolarHBondContact O-CB 3.41Å; D1237-L1241 PolarHBondContact O-N 3.07Å; D1237-S1263 WeakPolarHBondContact OD1-CA 3.49Å; D1237-S1263 WeakPolarHBondContact OD2-CA 3.37Å; D1237-S1263 WeakPolarHBondContact OD2-CB 3.45Å; D1237-I1264 PolarHBondContact OD1-N 2.99Å; D1237-G1265 PolarHBondContact OD1-N 3.01Å; D1237-G1265 VanDerWaalsContact OD1-N 3.11Å; D1237-G1265 WeakPolarHBondContact OD2-CA 3.29Å; D1237-G1265 PolarHBondContact OD2-N 3.46Å; D1237-L1266 HydrophobicContact CB-CD1 4.07Å; D1237-L1266 HydrophobicContact CB-CG 4.36Å; D1237-L1266 WeakPolarHBondContact OD2-CB 3.47Å; D1237-L1266 WeakPolarHBondContact OD2-CG 3.37Å; D1237-L1266 PolarHBondContact OD2-N 3.18Å |
| 1238 | E | 65 | Low | 62.6 | Low | 83 Ų | 83 | 38.1 Ų | 38.1 | 39% | 0.388 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.9 | -46 | 171.5 | -73.7 | -166.2 | 150.7 | 0 | 0 | 111.1 | T1235 A1240 L1241 I1242 V1418 | T1235-E1238 PolarHBondContact O-N 3.02Å; E1238-A1240 PolarHBondContact O-N 3.27Å; E1238-L1241 WeakPolarHBondContact O-CB 3.27Å; E1238-L1241 PolarHBondContact O-N 3.03Å; E1238-I1242 VanDerWaalsContact O-CG1 3.26Å; E1238-I1242 WeakPolarHBondContact O-CG1 3.18Å; E1238-I1242 PolarHBondContact O-N 3.48Å; E1238-V1418 HydrophobicContact CG-CG1 4.02Å |
| 1239 | I | 61.6 | Low | 61.1 | Low | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 179.3 | -64.4 | 163.3 | 0 | 0 | 0 | 110.3 | L982 P984 F987 M1062 T1235 L1241 I1242 M1243 | L982-I1239 VanDerWaalsContact C-CD1 3.46Å; L982-I1239 WeakPolarHBondContact O-CD1 3.48Å; P984-I1239 HydrophobicContact CB-CG1 4.3Å; F987-I1239 HydrophobicContact CD2-CG2 4.17Å; F987-I1239 HydrophobicContact CE2-CG2 3.58Å; F987-I1239 HydrophobicContact CZ-CG2 4.32Å; M1062-I1239 HydrophobicContact SD-CB 4.45Å; M1062-I1239 HydrophobicContact SD-CG2 3.66Å; T1235-I1239 WeakPolarHBondContact O-CD1 3.32Å; T1235-I1239 VanDerWaalsContact O-CG1 3.22Å; T1235-I1239 WeakPolarHBondContact O-CG1 3.45Å; T1235-I1239 PolarHBondContact O-N 2.75Å; I1239-L1241 VanDerWaalsContact C-N 3.29Å; I1239-L1241 PolarHBondContact O-N 3.27Å; I1239-I1242 PolarHBondContact O-N 3.26Å; I1239-M1243 HydrophobicContact CG2-CG 4.27Å; I1239-M1243 HydrophobicContact CG2-SD 4.13Å; I1239-M1243 WeakPolarHBondContact O-CB 3.25Å; I1239-M1243 VanDerWaalsContact O-CG 3.25Å; I1239-M1243 WeakPolarHBondContact O-CG 3.23Å; I1239-M1243 PolarHBondContact O-N 3.35Å |
| 1240 | A | 61.8 | Low | 59.6 | Low | 21 Ų | 21 | 48.6 Ų | 48.6 | 17% | 0.174 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.8 | -38.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1236 D1237 E1238 S1244 | I1236-A1240 WeakPolarHBondContact O-CB 3.49Å; I1236-A1240 PolarHBondContact O-N 3.07Å; D1237-A1240 PolarHBondContact O-N 2.98Å; E1238-A1240 PolarHBondContact O-N 3.27Å; A1240-S1244 PolarHBondContact O-N 3.11Å |
| 1241 | L | 62.2 | Low | 57.8 | Low | 120 Ų | 120 | 54 Ų | 54 | 63% | 0.628 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.3 | -50.2 | 175 | -164.9 | 87.2 | 0 | 0 | 0 | 111 | D1237 E1238 I1239 M1243 S1244 T1245 | D1237-L1241 WeakPolarHBondContact O-CB 3.41Å; D1237-L1241 PolarHBondContact O-N 3.07Å; E1238-L1241 WeakPolarHBondContact O-CB 3.27Å; E1238-L1241 PolarHBondContact O-N 3.03Å; I1239-L1241 VanDerWaalsContact C-N 3.29Å; I1239-L1241 PolarHBondContact O-N 3.27Å; L1241-M1243 VanDerWaalsContact C-N 3.35Å; L1241-M1243 PolarHBondContact O-N 2.99Å; L1241-S1244 WeakPolarHBondContact O-CB 3.45Å; L1241-S1244 PolarHBondContact O-N 2.67Å; L1241-S1244 VanDerWaalsContact O-N 3.1Å; L1241-S1244 PolarHBondContact O-OG 3.24Å; L1241-T1245 PolarHBondContact O-N 3.45Å |
| 1242 | I | 59.9 | Low | 56.2 | Low | 46 Ų | 46 | 55.1 Ų | 55.1 | 24% | 0.236 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 178.8 | -66.1 | 163.8 | 0 | 0 | 0 | 110.2 | P984 F987 E1238 I1239 S1244 T1245 V1246 | P984-I1242 HydrophobicContact CB-CD1 4.49Å; F987-I1242 HydrophobicContact CB-CG2 3.6Å; F987-I1242 HydrophobicContact CG-CG2 4.27Å; E1238-I1242 VanDerWaalsContact O-CG1 3.26Å; E1238-I1242 WeakPolarHBondContact O-CG1 3.18Å; E1238-I1242 PolarHBondContact O-N 3.48Å; I1239-I1242 PolarHBondContact O-N 3.26Å; I1242-S1244 VanDerWaalsContact C-N 3.25Å; I1242-S1244 PolarHBondContact O-N 3.34Å; I1242-T1245 PolarHBondContact O-N 3.44Å; I1242-T1245 PolarHBondContact O-OG1 3.24Å; I1242-V1246 WeakPolarHBondContact O-CG2 3.46Å; I1242-V1246 PolarHBondContact O-N 3.28Å |
| 1243 | M | 55.7 | Low | 54.5 | Low | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58 | -35.8 | 176.3 | -75 | -174.2 | 76.3 | 0 | 0 | 113.2 | F987 M1062 I1239 L1241 T1245 V1246 L1248 F1250 | F987-M1243 HydrophobicContact CD1-CG 3.98Å; F987-M1243 HydrophobicContact CE1-CE 4.12Å; F987-M1243 HydrophobicContact CE1-CG 3.43Å; F987-M1243 VanDerWaalsContact CE1-CG 3.43Å; F987-M1243 HydrophobicContact CE1-SD 4.02Å; F987-M1243 HydrophobicContact CE2-CG 4.01Å; F987-M1243 HydrophobicContact CE2-SD 4.28Å; F987-M1243 HydrophobicContact CG-CG 4.48Å; F987-M1243 HydrophobicContact CZ-CE 4.07Å; F987-M1243 HydrophobicContact CZ-CG 3.43Å; F987-M1243 VanDerWaalsContact CZ-CG 3.43Å; F987-M1243 HydrophobicContact CZ-SD 3.55Å; F987-M1243 VanDerWaalsContact CZ-SD 3.55Å; M1062-M1243 HydrophobicContact CE-SD 4.06Å; M1062-M1243 HydrophobicContact SD-SD 4.16Å; I1239-M1243 HydrophobicContact CG2-CG 4.27Å; I1239-M1243 HydrophobicContact CG2-SD 4.13Å; I1239-M1243 WeakPolarHBondContact O-CB 3.25Å; I1239-M1243 VanDerWaalsContact O-CG 3.25Å; I1239-M1243 WeakPolarHBondContact O-CG 3.23Å; I1239-M1243 PolarHBondContact O-N 3.35Å; L1241-M1243 VanDerWaalsContact C-N 3.35Å; L1241-M1243 PolarHBondContact O-N 2.99Å; M1243-T1245 VanDerWaalsContact C-N 3.32Å; M1243-T1245 PolarHBondContact O-N 3.37Å; M1243-V1246 PolarHBondContact O-N 3.07Å; M1243-L1248 HydrophobicContact CE-CD1 4.24Å; M1243-F1250 HydrophobicContact CE-CE1 4.28Å; M1243-F1250 HydrophobicContact CE-CE2 4.21Å; M1243-F1250 HydrophobicContact CE-CZ 3.5Å; M1243-F1250 VanDerWaalsContact CE-CZ 3.5Å; M1243-F1250 HydrophobicContact SD-CZ 4.14Å |
| 1244 | S | 58.3 | Low | 52.6 | Low | 77 Ų | 77 | 68.1 Ų | 68.1 | 54% | 0.538 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.9 | -33.4 | 176.2 | 82.4 | 0 | 0 | 0 | 0 | 112.6 | A1240 L1241 I1242 | A1240-S1244 PolarHBondContact O-N 3.11Å; L1241-S1244 WeakPolarHBondContact O-CB 3.45Å; L1241-S1244 PolarHBondContact O-N 2.67Å; L1241-S1244 VanDerWaalsContact O-N 3.1Å; L1241-S1244 PolarHBondContact O-OG 3.24Å; I1242-S1244 VanDerWaalsContact C-N 3.25Å; I1242-S1244 PolarHBondContact O-N 3.34Å |
| 1245 | T | 51.4 | Low | 51.2 | Low | 105 Ų | 105 | 77.4 Ų | 77.4 | 64% | 0.644 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -74.4 | -31.7 | 178.7 | 65.7 | 0 | 0 | 0 | 0 | 113 | L1241 I1242 M1243 G1247 | L1241-T1245 PolarHBondContact O-N 3.45Å; I1242-T1245 PolarHBondContact O-N 3.44Å; I1242-T1245 PolarHBondContact O-OG1 3.24Å; M1243-T1245 VanDerWaalsContact C-N 3.32Å; M1243-T1245 PolarHBondContact O-N 3.37Å; T1245-G1247 PolarHBondContact O-N 3.42Å |
| 1246 | V | 49.3 | Very low | 49.6 | Very low | 48 Ų | 48 | 80.7 Ų | 80.7 | 29% | 0.291 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 1.1 | 178 | -179.1 | 0 | 0 | 0 | 0 | 112.4 | F990 I1242 M1243 L1248 | F990-V1246 HydrophobicContact CB-CG1 4.08Å; I1242-V1246 WeakPolarHBondContact O-CG2 3.46Å; I1242-V1246 PolarHBondContact O-N 3.28Å; M1243-V1246 PolarHBondContact O-N 3.07Å; V1246-L1248 VanDerWaalsContact C-N 3.3Å; V1246-L1248 PolarHBondContact O-N 3.02Å |
| 1247 | G | 37.5 | Very low | 48.2 | Very low | 55 Ų | 55 | 85.6 Ų | 85.6 | 57% | 0.567 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 8.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1245 K1249 | T1245-G1247 PolarHBondContact O-N 3.42Å; G1247-K1249 PolarHBondContact O-N 3.49Å |
| 1248 | L | 44 | Very low | 46.9 | Very low | 90 Ų | 90 | 87.7 Ų | 87.7 | 47% | 0.471 | 47% | 0.473 | S | S | . | . | trans | -72.1 | 77.9 | 167.8 | -71.3 | 170.6 | 0 | 0 | 0 | 109.2 | M1243 V1246 F1250 | M1243-L1248 HydrophobicContact CE-CD1 4.24Å; V1246-L1248 VanDerWaalsContact C-N 3.3Å; V1246-L1248 PolarHBondContact O-N 3.02Å; L1248-F1250 PolarHBondContact O-N 3.11Å; L1248-F1250 VanDerWaalsContact O-N 3.1Å | ||
| 1249 | K | 39.1 | Very low | 45.7 | Very low | 194 Ų | 194 | 86.9 Ų | 86.9 | 84% | 0.843 | 48% | 0.476 | S | S | * | . | trans | -66.5 | 108.2 | 171.6 | -78.8 | -175.9 | 176.9 | 178.6 | 0 | 109.3 | G1247 | G1247-K1249 PolarHBondContact O-N 3.49Š| ||
| 1250 | F | 44.2 | Very low | 44.7 | Very low | 56 Ų | 56 | 93.1 Ų | 93.1 | 25% | 0.246 | 51% | 0.509 | C | S | . | . | trans | -58.8 | 126.2 | 166.8 | -66.5 | -83.4 | 0 | 0 | 0 | 109.2 | L1012 V1063 M1243 L1248 L1252 | L1012-F1250 HydrophobicContact CD2-CD1 3.84Å; L1012-F1250 HydrophobicContact CD2-CE1 3.69Å; V1063-F1250 HydrophobicContact CG1-CD1 4.49Å; V1063-F1250 HydrophobicContact CG1-CE1 4.33Å; V1063-F1250 HydrophobicContact CG2-CE1 4.33Å; M1243-F1250 HydrophobicContact CE-CE1 4.28Å; M1243-F1250 HydrophobicContact CE-CE2 4.21Å; M1243-F1250 HydrophobicContact CE-CZ 3.5Å; M1243-F1250 VanDerWaalsContact CE-CZ 3.5Å; M1243-F1250 HydrophobicContact SD-CZ 4.14Å; L1248-F1250 PolarHBondContact O-N 3.11Å; L1248-F1250 VanDerWaalsContact O-N 3.1Å; F1250-L1252 HydrophobicContact CB-CD1 3.83Å; F1250-L1252 HydrophobicContact CB-CG 4.24Å; F1250-L1252 PolarHBondContact O-N 3.37Å | ||
| 1251 | P | 35.7 | Very low | 44.2 | Very low | 116 Ų | 116 | 96 Ų | 96 | 75% | 0.753 | 52% | 0.516 | S | S | * | . | trans | -74 | 77.6 | 172.4 | 30.6 | -31.8 | 0 | 0 | 0 | 108.4 | ||||
| 1252 | L | 38.8 | Very low | 43.8 | Very low | 64 Ų | 64 | 94.1 Ų | 94.1 | 34% | 0.335 | 51% | 0.512 | S | S | . | . | trans | -93 | 116.8 | 172.3 | -81.7 | 151.9 | 0 | 0 | 0 | 108 | F1250 N1254 | F1250-L1252 HydrophobicContact CB-CD1 3.83Å; F1250-L1252 HydrophobicContact CB-CG 4.24Å; F1250-L1252 PolarHBondContact O-N 3.37Å; L1252-N1254 PolarHBondContact O-N 3.38Å | ||
| 1253 | D | 35.7 | Very low | 43.9 | Very low | 133 Ų | 133 | 92.6 Ų | 92.6 | 71% | 0.711 | 51% | 0.505 | S | S | * | . | trans | -54.9 | 123.3 | 169.8 | -80.8 | -38.6 | 0 | 0 | 0 | 109.1 | K1255 | D1253-K1255 PolarHBondContact O-N 2.94Š| ||
| 1254 | N | 34.6 | Very low | 44.6 | Very low | 168 Ų | 168 | 93.3 Ų | 93.3 | 90% | 0.898 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 30.8 | -177.3 | -75.2 | -20 | 0 | 0 | 0 | 115.4 | L1252 | L1252-N1254 PolarHBondContact O-N 3.38Š|
| 1255 | K | 37.6 | Very low | 45.2 | Very low | 197 Ų | 197 | 89.6 Ų | 89.6 | 86% | 0.857 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | 4.4 | -174.6 | -71.7 | -171.4 | 176.4 | -177.9 | 0 | 114.7 | D1253 | D1253-K1255 PolarHBondContact O-N 2.94Š|
| 1256 | R | 33.5 | Very low | 46.3 | Very low | 100 Ų | 100 | 85.6 Ų | 85.6 | 38% | 0.377 | 46% | 0.457 | S | S | . | . | trans | -104.6 | 121.4 | -177.3 | -59.8 | -161.8 | -165.6 | 170 | 17.1 | 111.8 | E1065 D1067 L1258 S1259 | E1065-R1256 IonicContact OE1-CZ 3.79Å; E1065-R1256 IonicContact OE1-NH1 2.69Å; E1065-R1256 PolarHBondContact OE1-NH1 3.46Å; E1065-R1256 IonicContact OE1-NH2 3.9Å; E1065-R1256 PolarHBondContact OE1-NH2 3.03Å; D1067-R1256 WeakPolarHBondContact OD2-CD 3.34Å; D1067-R1256 IonicContact OD2-CZ 3.07Å; D1067-R1256 IonicContact OD2-NE 3.56Å; D1067-R1256 IonicContact OD2-NH1 2.92Å; D1067-R1256 PolarHBondContact OD2-NH1 2.87Å; R1256-L1258 PolarHBondContact O-N 3.16Å; R1256-S1259 PolarHBondContact O-N 3.46Å; R1256-S1259 VanDerWaalsContact O-N 3.16Å; R1256-S1259 PolarHBondContact O-OG 2.69Å; R1256-S1259 VanDerWaalsContact O-OG 3.11Å | ||
| 1257 | V | 39.3 | Very low | 47.4 | Very low | 105 Ų | 105 | 83.9 Ų | 83.9 | 64% | 0.636 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -64.9 | -19.7 | -168.3 | 178.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1258 | L | 39 | Very low | 49.3 | Very low | 61 Ų | 61 | 81.3 Ų | 81.3 | 32% | 0.319 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -82.5 | -4 | 176.1 | -89.1 | 91.8 | 0 | 0 | 0 | 114.8 | R1256 N1260 I1264 | R1256-L1258 PolarHBondContact O-N 3.16Å; L1258-N1260 PolarHBondContact O-N 3.35Å; L1258-N1260 VanDerWaalsContact O-N 3.07Å; L1258-I1264 HydrophobicContact CD2-CD1 4.15Å |
| 1259 | S | 39.7 | Very low | 51 | Low | 66 Ų | 66 | 77.1 Ų | 77.1 | 46% | 0.462 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -67 | -9.8 | -178.3 | 65 | 0 | 0 | 0 | 0 | 114.7 | R1256 | R1256-S1259 PolarHBondContact O-N 3.46Å; R1256-S1259 VanDerWaalsContact O-N 3.16Å; R1256-S1259 PolarHBondContact O-OG 2.69Å; R1256-S1259 VanDerWaalsContact O-OG 3.11Å |
| 1260 | N | 42.3 | Very low | 52.8 | Low | 130 Ų | 130 | 68.8 Ų | 68.8 | 70% | 0.695 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -91.3 | -6.5 | -173.2 | -70.9 | -5.2 | 0 | 0 | 0 | 114.7 | L1258 P1262 | L1258-N1260 PolarHBondContact O-N 3.35Å; L1258-N1260 VanDerWaalsContact O-N 3.07Å; N1260-P1262 WeakPolarHBondContact O-CD 3.46Å |
| 1261 | Y | 50.6 | Low | 54.3 | Low | 81 Ų | 81 | 66.5 Ų | 66.5 | 32% | 0.318 | 35% | 0.352 | S | S | . | . | trans | -100.6 | 115.6 | 177.3 | -61.7 | -74.6 | 0 | 0 | 0 | 109.9 | S1263 | Y1261-S1263 VanDerWaalsContact C-N 3.29Å; Y1261-S1263 PolarHBondContact O-N 3.02Å | ||
| 1262 | P | 53.3 | Low | 56.5 | Low | 82 Ų | 82 | 61 Ų | 61 | 53% | 0.532 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -75.5 | -9.8 | -175.3 | 27 | -32.1 | 0 | 0 | 0 | 114.5 | N1260 | N1260-P1262 WeakPolarHBondContact O-CD 3.46Š|
| 1263 | S | 62.7 | Low | 58.4 | Low | 13 Ų | 13 | 58 Ų | 58 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | trans | -144.2 | 68.3 | -168.3 | 51.3 | 0 | 0 | 0 | 0 | 114.4 | D1237 Y1261 Q1267 H1376 | D1237-S1263 WeakPolarHBondContact OD1-CA 3.49Å; D1237-S1263 WeakPolarHBondContact OD2-CA 3.37Å; D1237-S1263 WeakPolarHBondContact OD2-CB 3.45Å; Y1261-S1263 VanDerWaalsContact C-N 3.29Å; Y1261-S1263 PolarHBondContact O-N 3.02Å; S1263-Q1267 VanDerWaalsContact O-CG 3.3Å; S1263-Q1267 WeakPolarHBondContact O-CG 3.45Å; S1263-Q1267 PolarHBondContact O-N 3.37Å; S1263-H1376 PolarHBondContact OG-CE1 3.42Å; S1263-H1376 PolarHBondContact OG-NE2 3.15Å | ||
| 1264 | I | 70.3 | Confident | 60.4 | Low | 18 Ų | 18 | 52.1 Ų | 52.1 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74 | -32.1 | -178.5 | -157.6 | 165.5 | 0 | 0 | 0 | 112 | L1103 D1237 L1258 Q1267 L1268 | L1103-I1264 HydrophobicContact CD2-CD1 4.37Å; D1237-I1264 PolarHBondContact OD1-N 2.99Å; L1258-I1264 HydrophobicContact CD2-CD1 4.15Å; I1264-Q1267 PolarHBondContact O-N 2.85Å; I1264-L1268 HydrophobicContact CG1-CD1 4.41Å; I1264-L1268 VanDerWaalsContact O-CG 3.27Å; I1264-L1268 WeakPolarHBondContact O-CG 3.38Å; I1264-L1268 PolarHBondContact O-N 3.36Å; I1264-L1268 VanDerWaalsContact O-N 3.09Å |
| 1265 | G | 71.5 | Confident | 62.3 | Low | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.7 | -47.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | L1233 D1237 Q1267 L1268 L1269 | L1233-G1265 CarbonylContact O-C 3.54Å; D1237-G1265 PolarHBondContact OD1-N 3.01Å; D1237-G1265 VanDerWaalsContact OD1-N 3.11Å; D1237-G1265 WeakPolarHBondContact OD2-CA 3.29Å; D1237-G1265 PolarHBondContact OD2-N 3.46Å; G1265-Q1267 VanDerWaalsContact C-N 3.35Å; G1265-Q1267 PolarHBondContact O-N 3.22Å; G1265-L1268 PolarHBondContact O-N 3.42Å; G1265-L1269 PolarHBondContact O-N 2.97Å |
| 1266 | L | 73.7 | Confident | 64.3 | Low | 20 Ų | 20 | 34.9 Ų | 34.9 | 11% | 0.105 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.8 | -37.3 | 177.7 | -73.7 | 162.6 | 0 | 0 | 0 | 112.5 | D1237 L1269 D1270 W1425 | D1237-L1266 HydrophobicContact CB-CD1 4.07Å; D1237-L1266 HydrophobicContact CB-CG 4.36Å; D1237-L1266 WeakPolarHBondContact OD2-CB 3.47Å; D1237-L1266 WeakPolarHBondContact OD2-CG 3.37Å; D1237-L1266 PolarHBondContact OD2-N 3.18Å; L1266-L1269 PolarHBondContact O-N 3.38Å; L1266-D1270 PolarHBondContact O-N 2.85Å; L1266-W1425 HydrophobicContact CD2-CH2 3.71Å; L1266-W1425 HydrophobicContact CD2-CZ3 4.49Å |
| 1267 | Q | 72.8 | Confident | 66.3 | Low | 13 Ų | 13 | 30.1 Ų | 30.1 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.2 | -40.7 | 175.7 | -73.1 | 176.3 | -21.9 | 0 | 0 | 112.3 | H1106 S1263 I1264 G1265 L1269 D1270 Y1271 | H1106-Q1267 PolarHBondContact CD2-OE1 3.48Å; H1106-Q1267 PolarHBondContact NE2-OE1 3.2Å; H1106-Q1267 VanDerWaalsContact NE2-OE1 3.11Å; S1263-Q1267 VanDerWaalsContact O-CG 3.3Å; S1263-Q1267 WeakPolarHBondContact O-CG 3.45Å; S1263-Q1267 PolarHBondContact O-N 3.37Å; I1264-Q1267 PolarHBondContact O-N 2.85Å; G1265-Q1267 VanDerWaalsContact C-N 3.35Å; G1265-Q1267 PolarHBondContact O-N 3.22Å; Q1267-L1269 VanDerWaalsContact C-N 3.29Å; Q1267-L1269 PolarHBondContact O-N 2.91Å; Q1267-D1270 WeakPolarHBondContact O-CB 3.37Å; Q1267-D1270 PolarHBondContact O-N 2.93Å; Q1267-Y1271 HydrophobicContact CB-CE2 4.5Å; Q1267-Y1271 WeakPolarHBondContact O-CD2 3.43Å; Q1267-Y1271 PolarHBondContact O-N 3.38Å; Q1267-Y1271 VanDerWaalsContact O-N 3.15Å |
| 1268 | L | 76.2 | Confident | 67.9 | Low | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.6 | -36.1 | 175.2 | -65.7 | 170 | 0 | 0 | 0 | 111.2 | L1061 L1102 L1103 L1233 I1264 G1265 Y1271 L1272 | L1061-L1268 HydrophobicContact CD1-CD1 3.97Å; L1061-L1268 HydrophobicContact CD2-CD1 4.09Å; L1102-L1268 VanDerWaalsContact C-CD2 3.48Å; L1102-L1268 HydrophobicContact CB-CD2 3.62Å; L1102-L1268 WeakPolarHBondContact O-CD2 3.28Å; L1103-L1268 HydrophobicContact CD2-CD1 4.34Å; L1103-L1268 HydrophobicContact CD2-CD2 4.2Å; L1103-L1268 HydrophobicContact CG-CD2 4.41Å; L1233-L1268 HydrophobicContact CD1-CB 4.32Å; L1233-L1268 HydrophobicContact CD2-CB 4.21Å; L1233-L1268 HydrophobicContact CD2-CD1 4.09Å; I1264-L1268 HydrophobicContact CG1-CD1 4.41Å; I1264-L1268 VanDerWaalsContact O-CG 3.27Å; I1264-L1268 WeakPolarHBondContact O-CG 3.38Å; I1264-L1268 PolarHBondContact O-N 3.36Å; I1264-L1268 VanDerWaalsContact O-N 3.09Å; G1265-L1268 PolarHBondContact O-N 3.42Å; L1268-Y1271 HydrophobicContact CD2-CD2 4.41Å; L1268-Y1271 PolarHBondContact O-N 2.97Å; L1268-L1272 PolarHBondContact O-N 3.45Å; L1268-L1272 VanDerWaalsContact O-N 3.16Å |
| 1269 | L | 80.7 | Confident | 69.6 | Low | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.1 | -38.1 | 173.6 | -173.1 | 62 | 0 | 0 | 0 | 111.8 | A1234 G1265 L1266 Q1267 L1272 I1273 A1415 W1425 | A1234-L1269 HydrophobicContact CB-CD2 4.01Å; G1265-L1269 PolarHBondContact O-N 2.97Å; L1266-L1269 PolarHBondContact O-N 3.38Å; Q1267-L1269 VanDerWaalsContact C-N 3.29Å; Q1267-L1269 PolarHBondContact O-N 2.91Å; L1269-L1272 HydrophobicContact CD1-CD2 4.46Å; L1269-L1272 WeakPolarHBondContact O-CB 3.23Å; L1269-L1272 PolarHBondContact O-N 3.41Å; L1269-I1273 HydrophobicContact CD1-CD1 4.28Å; L1269-I1273 HydrophobicContact CD1-CG1 4.46Å; L1269-I1273 HydrophobicContact CG-CD1 3.91Å; L1269-I1273 HydrophobicContact CG-CG1 4.48Å; L1269-I1273 WeakPolarHBondContact O-CG1 3.4Å; L1269-I1273 PolarHBondContact O-N 2.91Å; L1269-A1415 HydrophobicContact CD2-CB 3.87Å; L1269-W1425 HydrophobicContact CD2-CH2 3.94Å; L1269-W1425 HydrophobicContact CD2-CZ2 4.03Å; L1269-W1425 HydrophobicContact CG-CZ2 4.3Å |
| 1270 | D | 76.2 | Confident | 71.2 | Confident | 20 Ų | 20 | 19.4 Ų | 19.4 | 11% | 0.107 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.6 | -47.2 | 173 | -76.3 | -37.1 | 0 | 0 | 0 | 112.5 | L1266 Q1267 L1272 I1273 I1274 R1422 W1425 | L1266-D1270 PolarHBondContact O-N 2.85Å; Q1267-D1270 WeakPolarHBondContact O-CB 3.37Å; Q1267-D1270 PolarHBondContact O-N 2.93Å; D1270-L1272 VanDerWaalsContact C-N 3.26Å; D1270-L1272 PolarHBondContact O-N 3.4Å; D1270-I1273 PolarHBondContact O-N 2.91Å; D1270-I1274 HydrophobicContact CB-CD1 4.41Å; D1270-I1274 WeakPolarHBondContact O-CB 3.15Å; D1270-I1274 VanDerWaalsContact O-CG1 3.24Å; D1270-I1274 WeakPolarHBondContact O-CG1 3.44Å; D1270-I1274 PolarHBondContact O-N 3.12Å; D1270-R1422 IonicContact OD1-CZ 2.63Å; D1270-R1422 IonicContact OD1-NH1 2.67Å; D1270-R1422 PolarHBondContact OD1-NH1 3.31Å; D1270-R1422 IonicContact OD2-CZ 3.01Å; D1270-R1422 IonicContact OD2-NH1 2.74Å; D1270-R1422 PolarHBondContact OD2-NH1 2.95Å; D1270-R1422 IonicContact OD2-NH2 3.72Å; D1270-W1425 WeakPolarHBondContact OD1-CZ2 3.23Å; D1270-W1425 PolarHBondContact OD1-NE1 3.41Å |
| 1271 | Y | 76.6 | Confident | 72.7 | Confident | 8 Ų | 8 | 15.1 Ų | 15.1 | 3% | 0.031 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.9 | -37.2 | 178.7 | -58.1 | -40.4 | 0 | 0 | 0 | 111.8 | F1105 H1106 L1109 Q1267 L1268 G1275 | F1105-Y1271 HydrophobicContact CB-CD2 4.21Å; F1105-Y1271 HydrophobicContact CB-CG 4.33Å; H1106-Y1271 HydrophobicContact CB-CE2 3.82Å; L1109-Y1271 HydrophobicContact CD1-CD1 3.95Å; L1109-Y1271 HydrophobicContact CD1-CE1 3.3Å; Q1267-Y1271 HydrophobicContact CB-CE2 4.5Å; Q1267-Y1271 WeakPolarHBondContact O-CD2 3.43Å; Q1267-Y1271 PolarHBondContact O-N 3.38Å; Q1267-Y1271 VanDerWaalsContact O-N 3.15Å; L1268-Y1271 HydrophobicContact CD2-CD2 4.41Å; L1268-Y1271 PolarHBondContact O-N 2.97Å; Y1271-G1275 PolarHBondContact O-N 3.27Å |
| 1272 | L | 81.5 | Confident | 73.7 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.3 | -51.2 | 174.6 | -173 | 68.9 | 0 | 0 | 0 | 111.4 | L1098 L1102 F1167 L1226 L1268 L1269 D1270 G1275 F1276 | L1098-L1272 HydrophobicContact CD1-CD1 4.35Å; L1102-L1272 HydrophobicContact CD2-CB 4.32Å; F1167-L1272 HydrophobicContact CE2-CD1 4.08Å; F1167-L1272 HydrophobicContact CZ-CD1 4.2Å; L1226-L1272 HydrophobicContact CD1-CD1 4.27Å; L1226-L1272 HydrophobicContact CD1-CD2 4.43Å; L1268-L1272 PolarHBondContact O-N 3.45Å; L1268-L1272 VanDerWaalsContact O-N 3.16Å; L1269-L1272 HydrophobicContact CD1-CD2 4.46Å; L1269-L1272 WeakPolarHBondContact O-CB 3.23Å; L1269-L1272 PolarHBondContact O-N 3.41Å; D1270-L1272 VanDerWaalsContact C-N 3.26Å; D1270-L1272 PolarHBondContact O-N 3.4Å; L1272-G1275 PolarHBondContact O-N 3.13Å; L1272-F1276 HydrophobicContact CD1-CD2 4.11Å; L1272-F1276 HydrophobicContact CD1-CE2 3.89Å; L1272-F1276 HydrophobicContact CG-CD2 4.28Å; L1272-F1276 HydrophobicContact CG-CE2 4.4Å; L1272-F1276 WeakPolarHBondContact O-CD2 3.42Å; L1272-F1276 PolarHBondContact O-N 3.27Å |
| 1273 | I | 79.7 | Confident | 74.3 | Confident | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.4 | -48.3 | -178.4 | -70.8 | 171.6 | 0 | 0 | 0 | 110.9 | L1269 D1270 G1275 F1276 A1277 L1408 F1411 L1412 A1415 W1425 L1428 | L1269-I1273 HydrophobicContact CD1-CD1 4.28Å; L1269-I1273 HydrophobicContact CD1-CG1 4.46Å; L1269-I1273 HydrophobicContact CG-CD1 3.91Å; L1269-I1273 HydrophobicContact CG-CG1 4.48Å; L1269-I1273 WeakPolarHBondContact O-CG1 3.4Å; L1269-I1273 PolarHBondContact O-N 2.91Å; D1270-I1273 PolarHBondContact O-N 2.91Å; I1273-G1275 VanDerWaalsContact C-N 3.34Å; I1273-G1275 PolarHBondContact O-N 3.43Å; I1273-F1276 PolarHBondContact O-N 3.3Å; I1273-A1277 WeakPolarHBondContact O-CB 3.29Å; I1273-A1277 PolarHBondContact O-N 3.06Å; I1273-L1408 HydrophobicContact CG2-CD1 3.97Å; I1273-F1411 HydrophobicContact CG1-CB 4.23Å; I1273-L1412 HydrophobicContact CD1-CD2 4.27Å; I1273-L1412 HydrophobicContact CG2-CD2 3.99Å; I1273-L1412 HydrophobicContact CG2-CG 4.34Å; I1273-A1415 HydrophobicContact CD1-CB 4.05Å; I1273-W1425 HydrophobicContact CD1-CD2 4.46Å; I1273-W1425 HydrophobicContact CD1-CZ2 4.1Å; I1273-L1428 HydrophobicContact CG2-CD2 3.42Å; I1273-L1428 VanDerWaalsContact CG2-CD2 3.42Å |
| 1274 | I | 76.4 | Confident | 74.4 | Confident | 10 Ų | 10 | 13.1 Ų | 13.1 | 5% | 0.051 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.9 | -37.1 | -179.4 | -57.3 | 163.4 | 0 | 0 | 0 | 110.5 | D1270 F1276 A1277 Q1278 T1380 F1383 L1384 | D1270-I1274 HydrophobicContact CB-CD1 4.41Å; D1270-I1274 WeakPolarHBondContact O-CB 3.15Å; D1270-I1274 VanDerWaalsContact O-CG1 3.24Å; D1270-I1274 WeakPolarHBondContact O-CG1 3.44Å; D1270-I1274 PolarHBondContact O-N 3.12Å; I1274-F1276 PolarHBondContact O-N 3.01Å; I1274-A1277 PolarHBondContact O-N 3.49Å; I1274-Q1278 HydrophobicContact CG2-CG 4.33Å; I1274-Q1278 WeakPolarHBondContact O-CG 3.27Å; I1274-Q1278 PolarHBondContact O-N 3.23Å; I1274-T1380 HydrophobicContact CD1-CG2 3.72Å; I1274-F1383 HydrophobicContact CB-CD1 3.84Å; I1274-F1383 HydrophobicContact CB-CE1 4.13Å; I1274-F1383 HydrophobicContact CD1-CD1 4.46Å; I1274-F1383 HydrophobicContact CG2-CD1 3.53Å; I1274-F1383 HydrophobicContact CG2-CE1 4.16Å; I1274-L1384 HydrophobicContact CG2-CD2 4.25Å |
| 1275 | G | 75.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1271 L1272 I1273 Q1278 I1279 | Y1271-G1275 PolarHBondContact O-N 3.27Å; L1272-G1275 PolarHBondContact O-N 3.13Å; I1273-G1275 VanDerWaalsContact C-N 3.34Å; I1273-G1275 PolarHBondContact O-N 3.43Å; G1275-Q1278 PolarHBondContact O-N 2.9Å; G1275-I1279 WeakPolarHBondContact O-CD1 3.31Å; G1275-I1279 VanDerWaalsContact O-CG1 3.25Å; G1275-I1279 WeakPolarHBondContact O-CG1 3.32Å; G1275-I1279 PolarHBondContact O-N 3.19Å; G1275-I1279 VanDerWaalsContact O-N 3.08Å |
| 1276 | F | 78.6 | Confident | 73.5 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.3 | -36.9 | 173.7 | -91.9 | -90.7 | 0 | 0 | 0 | 113 | I1171 L1226 L1272 I1273 I1274 I1279 T1280 L1404 L1408 F1411 | I1171-F1276 HydrophobicContact CD1-CD2 4.34Å; I1171-F1276 HydrophobicContact CD1-CE2 3.7Å; I1171-F1276 HydrophobicContact CD1-CZ 4.12Å; I1171-F1276 HydrophobicContact CG1-CE2 4.5Å; I1171-F1276 HydrophobicContact CG2-CE1 4.16Å; I1171-F1276 HydrophobicContact CG2-CE2 4.42Å; I1171-F1276 HydrophobicContact CG2-CZ 3.8Å; L1226-F1276 HydrophobicContact CD2-CE2 4Å; L1226-F1276 HydrophobicContact CD2-CZ 3.61Å; L1272-F1276 HydrophobicContact CD1-CD2 4.11Å; L1272-F1276 HydrophobicContact CD1-CE2 3.89Å; L1272-F1276 HydrophobicContact CG-CD2 4.28Å; L1272-F1276 HydrophobicContact CG-CE2 4.4Å; L1272-F1276 WeakPolarHBondContact O-CD2 3.42Å; L1272-F1276 PolarHBondContact O-N 3.27Å; I1273-F1276 PolarHBondContact O-N 3.3Å; I1274-F1276 PolarHBondContact O-N 3.01Å; F1276-I1279 PolarHBondContact O-N 2.93Å; F1276-T1280 WeakPolarHBondContact O-CB 3.41Å; F1276-T1280 PolarHBondContact O-N 3.34Å; F1276-T1280 PolarHBondContact O-OG1 3.34Å; F1276-L1404 HydrophobicContact CD1-CD2 4.24Å; F1276-L1404 HydrophobicContact CE1-CD2 4.33Å; F1276-L1408 HydrophobicContact CB-CD1 3.9Å; F1276-F1411 HydrophobicContact CD1-CE2 4.37Å; F1276-F1411 HydrophobicContact CD2-CE2 4.11Å; F1276-F1411 HydrophobicContact CE1-CE2 4.26Å; F1276-F1411 AromaticContact CE2-CE2 3.99Å; F1276-F1411 HydrophobicContact CE2-CE2 3.99Å; F1276-F1411 HydrophobicContact CG-CE2 4.31Å; F1276-F1411 HydrophobicContact CZ-CE2 4.08Å |
| 1277 | A | 75.9 | Confident | 73.1 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1273 I1274 T1280 H1281 F1287 L1289 L1408 L1428 | I1273-A1277 WeakPolarHBondContact O-CB 3.29Å; I1273-A1277 PolarHBondContact O-N 3.06Å; I1274-A1277 PolarHBondContact O-N 3.49Å; A1277-T1280 WeakPolarHBondContact O-CB 3.4Å; A1277-T1280 PolarHBondContact O-N 3.29Å; A1277-H1281 WeakPolarHBondContact O-CB 3.04Å; A1277-H1281 PolarHBondContact O-N 3Å; A1277-F1287 HydrophobicContact CB-CE1 4.46Å; A1277-L1289 HydrophobicContact CB-CD2 4.21Å; A1277-L1408 HydrophobicContact CB-CD2 4.13Å; A1277-L1428 HydrophobicContact CB-CD1 3.91Å; A1277-L1428 HydrophobicContact CB-CD2 4.08Å |
| 1278 | Q | 73.6 | Confident | 72.8 | Confident | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.019 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.4 | -42.4 | 175.1 | -70.6 | -70 | -2.4 | 0 | 0 | 112 | I1274 G1275 T1280 H1281 Q1282 L1289 W1389 | I1274-Q1278 HydrophobicContact CG2-CG 4.33Å; I1274-Q1278 WeakPolarHBondContact O-CG 3.27Å; I1274-Q1278 PolarHBondContact O-N 3.23Å; G1275-Q1278 PolarHBondContact O-N 2.9Å; Q1278-T1280 PolarHBondContact O-N 3.29Å; Q1278-H1281 PolarHBondContact O-N 2.97Å; Q1278-Q1282 WeakPolarHBondContact O-CG 3.22Å; Q1278-Q1282 PolarHBondContact O-N 3.37Å; Q1278-L1289 HydrophobicContact CG-CD1 4.3Å; Q1278-W1389 HydrophobicContact CB-CD2 3.89Å; Q1278-W1389 HydrophobicContact CB-CE3 3.83Å; Q1278-W1389 HydrophobicContact CB-CG 4.37Å; Q1278-W1389 HydrophobicContact CB-CZ3 4.17Å; Q1278-W1389 HydrophobicContact CG-CD2 4Å; Q1278-W1389 HydrophobicContact CG-CE3 4.41Å; Q1278-W1389 HydrophobicContact CG-CG 4.29Å; Q1278-W1389 HydrophobicContact CG-CZ2 4.33Å |
| 1279 | I | 74.3 | Confident | 72.4 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.4 | -43.5 | 172.1 | -67.3 | 162 | 0 | 0 | 0 | 110.3 | F1167 Y1168 I1171 G1275 F1276 Q1282 I1283 L1404 | F1167-I1279 HydrophobicContact CE1-CD1 4.17Å; Y1168-I1279 HydrophobicContact CD1-CD1 4.32Å; Y1168-I1279 HydrophobicContact CD1-CG1 3.95Å; Y1168-I1279 HydrophobicContact CE1-CB 4.43Å; Y1168-I1279 HydrophobicContact CE1-CD1 4.22Å; Y1168-I1279 HydrophobicContact CE1-CG1 3.38Å; I1171-I1279 HydrophobicContact CD1-CD1 4.46Å; I1171-I1279 HydrophobicContact CG2-CD1 4.13Å; G1275-I1279 WeakPolarHBondContact O-CD1 3.31Å; G1275-I1279 VanDerWaalsContact O-CG1 3.25Å; G1275-I1279 WeakPolarHBondContact O-CG1 3.32Å; G1275-I1279 PolarHBondContact O-N 3.19Å; G1275-I1279 VanDerWaalsContact O-N 3.08Å; F1276-I1279 PolarHBondContact O-N 2.93Å; I1279-Q1282 PolarHBondContact O-N 3.24Å; I1279-I1283 HydrophobicContact CG2-CD1 3.79Å; I1279-I1283 WeakPolarHBondContact O-CG1 3.07Å; I1279-I1283 PolarHBondContact O-N 3.46Å; I1279-L1404 HydrophobicContact CG2-CD1 3.99Å; I1279-L1404 HydrophobicContact CG2-CD2 4.19Å |
| 1280 | T | 74 | Confident | 71.7 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67 | -43.6 | -179.8 | -54 | 0 | 0 | 0 | 0 | 111.9 | F1276 A1277 Q1278 Q1282 I1283 N1284 F1287 | F1276-T1280 WeakPolarHBondContact O-CB 3.41Å; F1276-T1280 PolarHBondContact O-N 3.34Å; F1276-T1280 PolarHBondContact O-OG1 3.34Å; A1277-T1280 WeakPolarHBondContact O-CB 3.4Å; A1277-T1280 PolarHBondContact O-N 3.29Å; Q1278-T1280 PolarHBondContact O-N 3.29Å; T1280-Q1282 VanDerWaalsContact C-N 3.3Å; T1280-Q1282 PolarHBondContact O-N 3.18Å; T1280-I1283 PolarHBondContact O-N 2.96Å; T1280-N1284 PolarHBondContact O-N 3.03Å; T1280-F1287 HydrophobicContact CG2-CD1 4.29Å; T1280-F1287 HydrophobicContact CG2-CG 4.34Å |
| 1281 | H | 73.8 | Confident | 70.9 | Confident | 40 Ų | 40 | 25.7 Ų | 25.7 | 19% | 0.185 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.1 | -38.6 | 175.6 | 178.4 | -80.7 | 0 | 0 | 0 | 112.2 | A1277 Q1278 N1284 F1287 L1289 | A1277-H1281 WeakPolarHBondContact O-CB 3.04Å; A1277-H1281 PolarHBondContact O-N 3Å; Q1278-H1281 PolarHBondContact O-N 2.97Å; H1281-N1284 CarbonylContact O-C 3.59Å; H1281-N1284 VanDerWaalsContact O-C 3.29Å; H1281-F1287 HydrophobicContact CB-CD1 4.05Å; H1281-F1287 PolarHBondContact CD2-O 2.84Å; H1281-L1289 HydrophobicContact CB-CD1 3.7Å; H1281-L1289 HydrophobicContact CB-CG 4.31Å |
| 1282 | Q | 69.7 | Low | 70.2 | Confident | 58 Ų | 58 | 25.8 Ų | 25.8 | 27% | 0.271 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -73.7 | -41 | -178.8 | -73 | -176.8 | -5 | 0 | 0 | 114.1 | Y1168 Q1278 I1279 T1280 W1389 | Y1168-Q1282 VanDerWaalsContact OH-CD 3.28Å; Y1168-Q1282 PolarHBondContact OH-NE2 3.06Å; Y1168-Q1282 PolarHBondContact OH-OE1 3.29Å; Q1278-Q1282 WeakPolarHBondContact O-CG 3.22Å; Q1278-Q1282 PolarHBondContact O-N 3.37Å; I1279-Q1282 PolarHBondContact O-N 3.24Å; T1280-Q1282 VanDerWaalsContact C-N 3.3Å; T1280-Q1282 PolarHBondContact O-N 3.18Å; Q1282-W1389 VanDerWaalsContact NE2-C 3.27Å; Q1282-W1389 VanDerWaalsContact NE2-CB 3.33Å; Q1282-W1389 PolarHBondContact NE2-O 2.9Å |
| 1283 | I | 67 | Low | 69.3 | Low | 36 Ų | 36 | 27.9 Ų | 27.9 | 19% | 0.185 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.8 | -36.9 | 179.2 | -67.4 | 165.1 | 0 | 0 | 0 | 110 | I1279 T1280 I1399 L1404 | I1279-I1283 HydrophobicContact CG2-CD1 3.79Å; I1279-I1283 WeakPolarHBondContact O-CG1 3.07Å; I1279-I1283 PolarHBondContact O-N 3.46Å; T1280-I1283 PolarHBondContact O-N 2.96Å; I1283-I1399 HydrophobicContact CD1-CB 4.38Å; I1283-I1399 HydrophobicContact CD1-CD1 4.32Å; I1283-I1399 HydrophobicContact CD1-CG2 4.04Å; I1283-L1404 HydrophobicContact CD1-CD1 3.37Å |
| 1284 | N | 64 | Low | 68.4 | Low | 41 Ų | 41 | 31.5 Ų | 31.5 | 22% | 0.219 | 17% | 0.169 | C | C | . | . | trans | -119.5 | 94.1 | 179.3 | -76.7 | -19.8 | 0 | 0 | 0 | 111 | T1280 H1281 K1286 F1287 G1401 F1435 | T1280-N1284 PolarHBondContact O-N 3.03Å; H1281-N1284 CarbonylContact O-C 3.59Å; H1281-N1284 VanDerWaalsContact O-C 3.29Å; N1284-K1286 PolarHBondContact O-N 3.17Å; N1284-F1287 PolarHBondContact O-N 3.31Å; N1284-G1401 WeakPolarHBondContact ND2-CA 3.22Å; N1284-F1435 HydrophobicContact CB-CE2 4.46Å; N1284-F1435 HydrophobicContact CB-CZ 4.2Å; N1284-F1435 VanDerWaalsContact ND2-CZ 3.31Å; N1284-F1435 WeakPolarHBondContact ND2-CZ 3.42Å | ||
| 1285 | G | 61.2 | Low | 67.6 | Low | 76 Ų | 76 | 31 Ų | 31 | 78% | 0.784 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -0.3 | 177 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1286 | K | 62.7 | Low | 66.8 | Low | 158 Ų | 158 | 31.1 Ų | 31.1 | 69% | 0.687 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -21.8 | 172.6 | -71.5 | -171.1 | 178.9 | -163.4 | 0 | 113.5 | N1284 F1435 | N1284-K1286 PolarHBondContact O-N 3.17Å; K1286-F1435 HydrophobicContact CB-CD2 4.28Å; K1286-F1435 HydrophobicContact CB-CE2 3.86Å |
| 1287 | F | 65.4 | Low | 65.8 | Low | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -81.1 | 116.4 | 174.8 | -176.6 | -103.7 | 0 | 0 | 0 | 107.7 | A1277 T1280 H1281 N1284 L1289 L1428 E1431 I1432 F1435 | A1277-F1287 HydrophobicContact CB-CE1 4.46Å; T1280-F1287 HydrophobicContact CG2-CD1 4.29Å; T1280-F1287 HydrophobicContact CG2-CG 4.34Å; H1281-F1287 HydrophobicContact CB-CD1 4.05Å; H1281-F1287 PolarHBondContact CD2-O 2.84Å; N1284-F1287 PolarHBondContact O-N 3.31Å; F1287-L1289 HydrophobicContact CD1-CG 4.47Å; F1287-L1289 HydrophobicContact CE1-CD2 3.88Å; F1287-L1289 HydrophobicContact CE1-CG 4.1Å; F1287-L1428 HydrophobicContact CE1-CD1 4.34Å; F1287-L1428 HydrophobicContact CZ-CD1 3.79Å; F1287-E1431 HydrophobicContact CE2-CB 3.91Å; F1287-E1431 HydrophobicContact CZ-CB 4.38Å; F1287-I1432 HydrophobicContact CE2-CG1 3.83Å; F1287-I1432 HydrophobicContact CZ-CG1 4.13Å; F1287-F1435 HydrophobicContact CB-CD2 4.4Å; F1287-F1435 HydrophobicContact CD2-CB 4.17Å; F1287-F1435 HydrophobicContact CD2-CG 4.37Å |
| 1288 | N | 65.9 | Low | 64.5 | Low | 29 Ų | 29 | 35.9 Ų | 35.9 | 16% | 0.155 | 20% | 0.195 | C | C | . | . | trans | -112.1 | 122.2 | -171.3 | -169.2 | 3.5 | 0 | 0 | 0 | 110.5 | Q1290 | N1288-Q1290 VanDerWaalsContact C-N 3.33Å; N1288-Q1290 VanDerWaalsContact ND2-CD 3.28Å; N1288-Q1290 PolarHBondContact ND2-NE2 3.5Å; N1288-Q1290 PolarHBondContact ND2-OE1 3Å; N1288-Q1290 WeakPolarHBondContact OD1-CB 3.31Å; N1288-Q1290 WeakPolarHBondContact OD1-CG 3.22Å; N1288-Q1290 PolarHBondContact OD1-N 3.24Å; N1288-Q1290 PolarHBondContact OD1-NE2 3.02Å | ||
| 1289 | L | 68.2 | Low | 63.5 | Low | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | trans | -87.9 | 2.3 | 179.3 | -74 | 165 | 0 | 0 | 0 | 113.5 | A1277 Q1278 H1281 F1287 I1291 L1292 E1293 L1428 | A1277-L1289 HydrophobicContact CB-CD2 4.21Å; Q1278-L1289 HydrophobicContact CG-CD1 4.3Å; H1281-L1289 HydrophobicContact CB-CD1 3.7Å; H1281-L1289 HydrophobicContact CB-CG 4.31Å; F1287-L1289 HydrophobicContact CD1-CG 4.47Å; F1287-L1289 HydrophobicContact CE1-CD2 3.88Å; F1287-L1289 HydrophobicContact CE1-CG 4.1Å; L1289-I1291 VanDerWaalsContact C-N 3.29Å; L1289-I1291 PolarHBondContact O-N 3.15Å; L1289-L1292 HydrophobicContact CD2-CD2 4.26Å; L1289-L1292 WeakPolarHBondContact O-CB 3.32Å; L1289-L1292 PolarHBondContact O-N 3.48Å; L1289-L1292 VanDerWaalsContact O-N 3.17Å; L1289-E1293 PolarHBondContact O-N 3.17Å; L1289-E1293 VanDerWaalsContact O-N 3.13Å; L1289-L1428 HydrophobicContact CD2-CD1 3.95Å | ||
| 1290 | Q | 65.6 | Low | 62.2 | Low | 67 Ų | 67 | 42 Ų | 42 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.1 | -32.9 | -176.6 | -77.5 | 168.6 | 30.1 | 0 | 0 | 114.2 | N1288 L1292 E1293 Q1294 | N1288-Q1290 VanDerWaalsContact C-N 3.33Å; N1288-Q1290 VanDerWaalsContact ND2-CD 3.28Å; N1288-Q1290 PolarHBondContact ND2-NE2 3.5Å; N1288-Q1290 PolarHBondContact ND2-OE1 3Å; N1288-Q1290 WeakPolarHBondContact OD1-CB 3.31Å; N1288-Q1290 WeakPolarHBondContact OD1-CG 3.22Å; N1288-Q1290 PolarHBondContact OD1-N 3.24Å; N1288-Q1290 PolarHBondContact OD1-NE2 3.02Å; Q1290-L1292 VanDerWaalsContact C-N 3.31Å; Q1290-L1292 PolarHBondContact O-N 2.65Å; Q1290-E1293 PolarHBondContact O-N 3.17Å; Q1290-Q1294 WeakPolarHBondContact O-CG 3.37Å; Q1290-Q1294 PolarHBondContact O-N 3.12Å |
| 1291 | I | 59.7 | Low | 60.6 | Low | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 179 | -56.1 | -172.9 | 0 | 0 | 0 | 110.1 | L1289 Q1294 V1295 I1427 E1431 E1469 L1470 R1473 | L1289-I1291 VanDerWaalsContact C-N 3.29Å; L1289-I1291 PolarHBondContact O-N 3.15Å; I1291-Q1294 PolarHBondContact O-N 3.11Å; I1291-V1295 HydrophobicContact CG2-CG2 4.32Å; I1291-V1295 WeakPolarHBondContact O-CG2 3.26Å; I1291-V1295 PolarHBondContact O-N 3.29Å; I1291-I1427 HydrophobicContact CB-CG2 4.39Å; I1291-I1427 HydrophobicContact CG2-CG2 3.85Å; I1291-E1431 WeakPolarHBondContact CD1-OE1 3.19Å; I1291-E1469 HydrophobicContact CD1-CB 4.37Å; I1291-E1469 HydrophobicContact CD1-CG 3.74Å; I1291-E1469 HydrophobicContact CG1-CB 4Å; I1291-E1469 HydrophobicContact CG1-CG 3.47Å; I1291-E1469 VanDerWaalsContact CG1-CG 3.47Å; I1291-L1470 HydrophobicContact CG2-CB 4.22Å; I1291-L1470 HydrophobicContact CG2-CD1 4.35Å; I1291-R1473 HydrophobicContact CD1-CG 3.57Å |
| 1292 | L | 62.1 | Low | 58.9 | Low | 10 Ų | 10 | 47.9 Ų | 47.9 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 177.6 | -170 | 64.3 | 0 | 0 | 0 | 110.8 | L1289 Q1290 Q1294 V1295 I1296 L1384 D1424 I1427 | L1289-L1292 HydrophobicContact CD2-CD2 4.26Å; L1289-L1292 WeakPolarHBondContact O-CB 3.32Å; L1289-L1292 PolarHBondContact O-N 3.48Å; L1289-L1292 VanDerWaalsContact O-N 3.17Å; Q1290-L1292 VanDerWaalsContact C-N 3.31Å; Q1290-L1292 PolarHBondContact O-N 2.65Å; L1292-Q1294 VanDerWaalsContact C-N 3.34Å; L1292-Q1294 PolarHBondContact O-N 3.1Å; L1292-V1295 PolarHBondContact O-N 2.83Å; L1292-I1296 HydrophobicContact CD1-CD1 3.68Å; L1292-I1296 HydrophobicContact CD1-CG1 4.22Å; L1292-I1296 HydrophobicContact CD2-CD1 4.46Å; L1292-I1296 HydrophobicContact CG-CD1 3.62Å; L1292-I1296 HydrophobicContact CG-CG1 4.48Å; L1292-I1296 WeakPolarHBondContact O-CB 3.32Å; L1292-I1296 WeakPolarHBondContact O-CD1 3.5Å; L1292-I1296 VanDerWaalsContact O-CG1 3.23Å; L1292-I1296 WeakPolarHBondContact O-CG1 3.45Å; L1292-I1296 PolarHBondContact O-N 3.13Å; L1292-L1384 HydrophobicContact CD2-CD1 4.41Å; L1292-L1384 HydrophobicContact CD2-CD2 3.9Å; L1292-L1384 HydrophobicContact CG-CD1 4.25Å; L1292-L1384 HydrophobicContact CG-CD2 4.46Å; L1292-D1424 HydrophobicContact CD1-CB 4.12Å; L1292-I1427 HydrophobicContact CD1-CG2 4.42Å |
| 1293 | E | 62.9 | Low | 57.4 | Low | 44 Ų | 44 | 48.6 Ų | 48.6 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.3 | -44.4 | 173.7 | -72.7 | 172.3 | -168.2 | 0 | 0 | 112.1 | L1289 Q1290 N1297 L1384 K1386 | L1289-E1293 PolarHBondContact O-N 3.17Å; L1289-E1293 VanDerWaalsContact O-N 3.13Å; Q1290-E1293 PolarHBondContact O-N 3.17Å; E1293-N1297 WeakPolarHBondContact O-CB 3.38Å; E1293-N1297 VanDerWaalsContact O-CG 3.28Å; E1293-N1297 PolarHBondContact O-N 3.19Å; E1293-N1297 PolarHBondContact O-ND2 3.31Å; E1293-L1384 HydrophobicContact CG-CB 3.99Å; E1293-L1384 HydrophobicContact CG-CD1 4.49Å; E1293-K1386 WeakPolarHBondContact OE1-CE 3.23Å |
| 1294 | Q | 60.5 | Low | 55.9 | Low | 77 Ų | 77 | 50 Ų | 50 | 36% | 0.36 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.8 | -45.3 | -178.5 | -71.9 | 175.6 | 7.6 | 0 | 0 | 112.2 | Q1290 I1291 L1292 N1297 C1298 T1467 | Q1290-Q1294 WeakPolarHBondContact O-CG 3.37Å; Q1290-Q1294 PolarHBondContact O-N 3.12Å; I1291-Q1294 PolarHBondContact O-N 3.11Å; L1292-Q1294 VanDerWaalsContact C-N 3.34Å; L1292-Q1294 PolarHBondContact O-N 3.1Å; Q1294-N1297 PolarHBondContact O-N 2.93Å; Q1294-C1298 PolarHBondContact O-N 2.7Å; Q1294-C1298 PolarHBondContact O-SG 3.36Å; Q1294-T1467 HydrophobicContact CB-CG2 3.97Å |
| 1295 | V | 58.4 | Low | 54.7 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.8 | -41.3 | -177.3 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | I1291 L1292 N1297 C1298 F1299 I1423 I1427 F1449 T1467 | I1291-V1295 HydrophobicContact CG2-CG2 4.32Å; I1291-V1295 WeakPolarHBondContact O-CG2 3.26Å; I1291-V1295 PolarHBondContact O-N 3.29Å; L1292-V1295 PolarHBondContact O-N 2.83Å; V1295-N1297 VanDerWaalsContact C-N 3.32Å; V1295-N1297 PolarHBondContact O-N 2.81Å; V1295-C1298 WeakPolarHBondContact O-CB 3.03Å; V1295-C1298 PolarHBondContact O-N 3.16Å; V1295-C1298 VanDerWaalsContact O-N 3.12Å; V1295-F1299 HydrophobicContact CG1-CD2 4.26Å; V1295-F1299 HydrophobicContact CG1-CE2 3.75Å; V1295-F1299 VanDerWaalsContact O-CD2 3.27Å; V1295-F1299 WeakPolarHBondContact O-CD2 3.25Å; V1295-I1423 HydrophobicContact CG1-CG2 4.42Å; V1295-I1427 HydrophobicContact CB-CD1 3.84Å; V1295-I1427 HydrophobicContact CG1-CD1 3.58Å; V1295-I1427 HydrophobicContact CG2-CD1 3.87Å; V1295-F1449 HydrophobicContact CG1-CE2 4.5Å; V1295-F1449 HydrophobicContact CG1-CZ 4.31Å; V1295-T1467 HydrophobicContact CG2-CG2 3.94Å |
| 1296 | I | 60 | Low | 53.5 | Low | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 178.7 | -62.7 | 167.8 | 0 | 0 | 0 | 110.9 | L1292 C1298 F1299 T1380 L1381 L1384 | L1292-I1296 HydrophobicContact CD1-CD1 3.68Å; L1292-I1296 HydrophobicContact CD1-CG1 4.22Å; L1292-I1296 HydrophobicContact CD2-CD1 4.46Å; L1292-I1296 HydrophobicContact CG-CD1 3.62Å; L1292-I1296 HydrophobicContact CG-CG1 4.48Å; L1292-I1296 WeakPolarHBondContact O-CB 3.32Å; L1292-I1296 WeakPolarHBondContact O-CD1 3.5Å; L1292-I1296 VanDerWaalsContact O-CG1 3.23Å; L1292-I1296 WeakPolarHBondContact O-CG1 3.45Å; L1292-I1296 PolarHBondContact O-N 3.13Å; I1296-C1298 PolarHBondContact O-N 2.84Å; I1296-F1299 PolarHBondContact O-N 3.26Å; I1296-F1299 VanDerWaalsContact O-N 3.13Å; I1296-T1380 WeakPolarHBondContact CG2-OG1 3.48Å; I1296-L1381 HydrophobicContact CG2-CD1 4.13Å; I1296-L1381 HydrophobicContact CG2-CD2 4.14Å; I1296-L1381 HydrophobicContact CG2-CG 3.66Å; I1296-L1384 HydrophobicContact CD1-CD1 3.52Å |
| 1297 | N | 56.8 | Low | 52.1 | Low | 68 Ų | 68 | 50.2 Ų | 50.2 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.3 | -30.2 | 173.5 | -85.8 | -45.5 | 0 | 0 | 0 | 113 | E1293 Q1294 V1295 L1381 | E1293-N1297 WeakPolarHBondContact O-CB 3.38Å; E1293-N1297 VanDerWaalsContact O-CG 3.28Å; E1293-N1297 PolarHBondContact O-N 3.19Å; E1293-N1297 PolarHBondContact O-ND2 3.31Å; Q1294-N1297 PolarHBondContact O-N 2.93Å; V1295-N1297 VanDerWaalsContact C-N 3.32Å; V1295-N1297 PolarHBondContact O-N 2.81Å; N1297-L1381 WeakPolarHBondContact OD1-CD2 3.07Å |
| 1298 | C | 49.6 | Very low | 50.8 | Low | 35 Ų | 35 | 55.2 Ų | 55.2 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -74 | -24.5 | 178 | -64.9 | 0 | 0 | 0 | 0 | 113.6 | Q1294 V1295 I1296 N1300 N1304 V1464 | Q1294-C1298 PolarHBondContact O-N 2.7Å; Q1294-C1298 PolarHBondContact O-SG 3.36Å; V1295-C1298 WeakPolarHBondContact O-CB 3.03Å; V1295-C1298 PolarHBondContact O-N 3.16Å; V1295-C1298 VanDerWaalsContact O-N 3.12Å; I1296-C1298 PolarHBondContact O-N 2.84Å; C1298-N1300 VanDerWaalsContact C-N 3.27Å; C1298-N1300 PolarHBondContact O-N 3.27Å; C1298-N1304 PolarHBondContact O-ND2 3.26Å; C1298-N1304 VanDerWaalsContact O-ND2 3.12Å; C1298-V1464 HydrophobicContact CB-CG1 3.95Å |
| 1299 | F | 51.8 | Low | 49.3 | Very low | 82 Ų | 82 | 59.9 Ų | 59.9 | 36% | 0.36 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -10.1 | 177.1 | -78.3 | -75.3 | 0 | 0 | 0 | 113.7 | V1295 I1296 P1301 I1423 F1465 | V1295-F1299 HydrophobicContact CG1-CD2 4.26Å; V1295-F1299 HydrophobicContact CG1-CE2 3.75Å; V1295-F1299 VanDerWaalsContact O-CD2 3.27Å; V1295-F1299 WeakPolarHBondContact O-CD2 3.25Å; I1296-F1299 PolarHBondContact O-N 3.26Å; I1296-F1299 VanDerWaalsContact O-N 3.13Å; F1299-P1301 VanDerWaalsContact O-CD 3.26Å; F1299-P1301 WeakPolarHBondContact O-CD 3.35Å; F1299-I1423 HydrophobicContact CE1-CD1 4.3Å; F1299-I1423 HydrophobicContact CE2-CD1 4.43Å; F1299-I1423 HydrophobicContact CE2-CG2 4.1Å; F1299-I1423 HydrophobicContact CZ-CD1 3.62Å; F1299-I1423 HydrophobicContact CZ-CG2 4.33Å; F1299-F1465 HydrophobicContact CD1-CE1 4.34Å; F1299-F1465 HydrophobicContact CD2-CE1 4.4Å; F1299-F1465 AromaticContact CE1-CE1 3.59Å; F1299-F1465 HydrophobicContact CE1-CE1 3.59Å; F1299-F1465 AromaticContact CE1-CZ 3.98Å; F1299-F1465 HydrophobicContact CE1-CZ 3.98Å; F1299-F1465 HydrophobicContact CE2-CD1 4.12Å; F1299-F1465 AromaticContact CE2-CE1 3.66Å; F1299-F1465 HydrophobicContact CE2-CE1 3.66Å; F1299-F1465 AromaticContact CZ-CD1 3.91Å; F1299-F1465 HydrophobicContact CZ-CD1 3.91Å; F1299-F1465 AromaticContact CZ-CE1 3.19Å; F1299-F1465 HydrophobicContact CZ-CE1 3.19Å; F1299-F1465 AromaticContact CZ-CZ 3.97Å; F1299-F1465 HydrophobicContact CZ-CZ 3.97Å |
| 1300 | N | 46.5 | Very low | 47.6 | Very low | 53 Ų | 53 | 64 Ų | 64 | 28% | 0.283 | 34% | 0.341 | S | S | . | . | trans | -80.2 | 112.8 | -176.3 | -138.1 | -11.1 | 0 | 0 | 0 | 110.5 | C1298 A1302 N1303 L1381 | C1298-N1300 VanDerWaalsContact C-N 3.27Å; C1298-N1300 PolarHBondContact O-N 3.27Å; N1300-A1302 PolarHBondContact O-N 3.49Å; N1300-N1303 PolarHBondContact O-N 2.94Å; N1300-N1303 VanDerWaalsContact O-N 3.15Å; N1300-L1381 HydrophobicContact CB-CD1 4.35Å; N1300-L1381 WeakPolarHBondContact ND2-CD1 3.43Å | ||
| 1301 | P | 40.5 | Very low | 46.1 | Very low | 100 Ų | 100 | 67.7 Ų | 67.7 | 65% | 0.649 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.7 | -15.5 | -173.1 | 24.3 | -33.4 | 0 | 0 | 0 | 113.6 | F1299 | F1299-P1301 VanDerWaalsContact O-CD 3.26Å; F1299-P1301 WeakPolarHBondContact O-CD 3.35Å |
| 1302 | A | 39.3 | Very low | 44.9 | Very low | 63 Ų | 63 | 73.3 Ų | 73.3 | 52% | 0.521 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.7 | -33.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1300 | N1300-A1302 PolarHBondContact O-N 3.49Å |
| 1303 | N | 36.8 | Very low | 43.5 | Very low | 72 Ų | 72 | 79.3 Ų | 79.3 | 39% | 0.385 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -84.4 | -29.9 | -176.3 | -71.8 | -11.2 | 0 | 0 | 0 | 112.6 | N1300 V1305 E1306 N1307 | N1300-N1303 PolarHBondContact O-N 2.94Å; N1300-N1303 VanDerWaalsContact O-N 3.15Å; N1303-V1305 PolarHBondContact O-N 3.04Å; N1303-E1306 PolarHBondContact O-N 3.43Å; N1303-N1307 PolarHBondContact O-N 2.83Å |
| 1304 | N | 37 | Very low | 41.9 | Very low | 66 Ų | 66 | 85.2 Ų | 85.2 | 35% | 0.353 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.4 | -18.5 | 178.5 | -72.9 | -22 | 0 | 0 | 0 | 113.1 | C1298 I1308 | C1298-N1304 PolarHBondContact O-ND2 3.26Å; C1298-N1304 VanDerWaalsContact O-ND2 3.12Å; N1304-I1308 WeakPolarHBondContact O-CB 3.35Å; N1304-I1308 VanDerWaalsContact O-CD1 3.24Å; N1304-I1308 WeakPolarHBondContact O-CD1 3.37Å; N1304-I1308 WeakPolarHBondContact O-CG1 3.32Å; N1304-I1308 PolarHBondContact O-N 3.16Å |
| 1305 | V | 38.2 | Very low | 40.5 | Very low | 82 Ų | 82 | 89.3 Ų | 89.3 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -80.6 | -21.7 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 112.5 | N1303 K1309 | N1303-V1305 PolarHBondContact O-N 3.04Å; V1305-K1309 WeakPolarHBondContact O-CD 3.46Å; V1305-K1309 WeakPolarHBondContact O-CG 3.42Å |
| 1306 | E | 34.8 | Very low | 39.2 | Very low | 99 Ų | 99 | 97 Ų | 97 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -89.9 | -35.4 | 177.1 | -70.8 | -169.9 | 161 | 0 | 0 | 112.3 | N1303 K1309 N1310 | N1303-E1306 PolarHBondContact O-N 3.43Å; E1306-K1309 PolarHBondContact O-N 2.92Å; E1306-N1310 PolarHBondContact O-N 3.35Å; E1306-N1310 VanDerWaalsContact O-N 3.08Å; E1306-N1310 PolarHBondContact O-ND2 3.46Å |
| 1307 | N | 34.2 | Very low | 37.7 | Very low | 98 Ų | 98 | 103.9 Ų | 103.9 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -72.9 | -32.9 | 176.3 | -75.1 | -12.3 | 0 | 0 | 0 | 113.3 | N1303 K1309 N1310 D1311 | N1303-N1307 PolarHBondContact O-N 2.83Å; N1307-K1309 PolarHBondContact O-N 3.26Å; N1307-N1310 PolarHBondContact O-N 3.17Å; N1307-D1311 PolarHBondContact O-N 2.73Å; N1307-D1311 VanDerWaalsContact O-N 3.11Å |
| 1308 | I | 37.8 | Very low | 36.3 | Very low | 107 Ų | 107 | 107.1 Ų | 107.1 | 55% | 0.549 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.2 | -21.9 | 173.7 | -64.4 | 171.4 | 0 | 0 | 0 | 111.7 | N1304 | N1304-I1308 WeakPolarHBondContact O-CB 3.35Å; N1304-I1308 VanDerWaalsContact O-CD1 3.24Å; N1304-I1308 WeakPolarHBondContact O-CD1 3.37Å; N1304-I1308 WeakPolarHBondContact O-CG1 3.32Å; N1304-I1308 PolarHBondContact O-N 3.16Å |
| 1309 | K | 34.5 | Very low | 35.2 | Very low | 127 Ų | 127 | 113.9 Ų | 113.9 | 55% | 0.552 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -86.1 | -25.1 | 173.2 | -74.8 | 178.4 | -179 | 173.7 | 0 | 113.5 | V1305 E1306 N1307 Q1313 | V1305-K1309 WeakPolarHBondContact O-CD 3.46Å; V1305-K1309 WeakPolarHBondContact O-CG 3.42Å; E1306-K1309 PolarHBondContact O-N 2.92Å; N1307-K1309 PolarHBondContact O-N 3.26Å; K1309-Q1313 WeakPolarHBondContact O-CB 3.35Å; K1309-Q1313 WeakPolarHBondContact O-CG 3.34Å; K1309-Q1313 PolarHBondContact O-OE1 3.46Å |
| 1310 | N | 33.5 | Very low | 34.3 | Very low | 91 Ų | 91 | 115.9 Ų | 115.9 | 49% | 0.487 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -85.1 | -30.1 | -179.8 | -67.9 | -23.4 | 0 | 0 | 0 | 112.7 | E1306 N1307 | E1306-N1310 PolarHBondContact O-N 3.35Å; E1306-N1310 VanDerWaalsContact O-N 3.08Å; E1306-N1310 PolarHBondContact O-ND2 3.46Å; N1307-N1310 PolarHBondContact O-N 3.17Å |
| 1311 | D | 33.7 | Very low | 33.4 | Very low | 144 Ų | 144 | 119.3 Ų | 119.3 | 77% | 0.77 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -84.3 | -19.2 | 174.3 | -77.2 | -26.5 | 0 | 0 | 0 | 113.7 | N1307 | N1307-D1311 PolarHBondContact O-N 2.73Å; N1307-D1311 VanDerWaalsContact O-N 3.11Å |
| 1312 | E | 34.9 | Very low | 33 | Very low | 119 Ų | 119 | 121.6 Ų | 121.6 | 56% | 0.556 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -87.3 | -3 | 169.2 | -73.4 | -169 | 155.3 | 0 | 0 | 113.7 | H1364 | E1312-H1364 IonicContact OE1-CE1 3.56Å; E1312-H1364 PolarHBondContact OE1-CE1 3Å; E1312-H1364 VanDerWaalsContact OE1-CE1 3.24Å; E1312-H1364 IonicContact OE1-NE2 3.67Å; E1312-H1364 PolarHBondContact OE1-NE2 3.34Å; E1312-H1364 IonicContact OE2-NE2 3.78Å |
| 1313 | Q | 31.3 | Very low | 32.6 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -109.7 | 3.8 | 179.6 | -79.6 | -169 | -74.6 | 0 | 0 | 115.7 | K1309 | K1309-Q1313 WeakPolarHBondContact O-CB 3.35Å; K1309-Q1313 WeakPolarHBondContact O-CG 3.34Å; K1309-Q1313 PolarHBondContact O-OE1 3.46Å |
| 1314 | M | 30.3 | Very low | 32.3 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 82% | 0.823 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -93.8 | 14.6 | 176 | -91 | -88.4 | -170.1 | 0 | 0 | 114.8 | ||
| 1315 | N | 30.6 | Very low | 32 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 87% | 0.872 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -134.2 | 15.5 | 174.7 | -107.4 | -18.2 | 0 | 0 | 0 | 115.4 | ||
| 1316 | E | 30.3 | Very low | 31.6 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | -139.5 | 65.7 | 173.4 | -80.3 | -168.4 | 162 | 0 | 0 | 111.5 | ||||
| 1317 | D | 28.5 | Very low | 31.4 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | -140.7 | 72.8 | 167.5 | -101.5 | -19.9 | 0 | 0 | 0 | 110.7 | ||||
| 1318 | T | 28.5 | Very low | 31.2 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -157.8 | 51.8 | 155.4 | -11.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1319 | L | 27.1 | Very low | 30.9 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 93% | 0.932 | 75% | 0.747 | S | S | * | * | trans | -165.4 | 71.9 | 163.3 | -108.8 | 138.8 | 0 | 0 | 0 | 113.4 | ||||
| 1320 | T | 31.6 | Very low | 30.6 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | -140 | 112.3 | 150.9 | 51 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1321 | T | 27.8 | Very low | 30.6 | Very low | 125 Ų | 125 | 138 Ų | 138 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | 55.7 | 116.1 | 139.7 | 56.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1322 | T | 32.1 | Very low | 30.4 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 91% | 0.908 | 77% | 0.769 | S | S | * | * | -162.7 | 132.5 | 120.2 | 17.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1323 | K | 31.2 | Very low | 30.3 | Very low | 213 Ų | 213 | 136.4 Ų | 136.4 | 93% | 0.926 | 78% | 0.78 | S | S | * | * | trans | -64.7 | 146.4 | 173.6 | -67.2 | 167.9 | 172.9 | 174.7 | 0 | 110.5 | ||||
| 1324 | G | 31.1 | Very low | 30.2 | Very low | 68 Ų | 68 | 135.4 Ų | 135.4 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 154.6 | 72.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1325 | T | 29.2 | Very low | 30.5 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 31.8 | 122.8 | 135.5 | -23.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1326 | T | 30.7 | Very low | 30.5 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | 146.1 | 100.6 | 125.5 | 40.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1327 | T | 29.9 | Very low | 30.7 | Very low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | 68.9 | 129.7 | 106.8 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1328 | T | 30.9 | Very low | 31 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | cis | -178.3 | 149.8 | 36.4 | -1.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1329 | I | 32 | Very low | 31.1 | Very low | 140 Ų | 140 | 129 Ų | 129 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | 75.9 | 100.4 | 137.7 | -66.3 | 164.9 | 0 | 0 | 0 | 118.1 | ||||
| 1330 | T | 28.4 | Very low | 31.3 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | 63.2 | 122.1 | 86.7 | 50.9 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1331 | T | 31.8 | Very low | 31.2 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | 172.7 | 150.7 | 102.8 | 34.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1332 | S | 29.6 | Very low | 31.3 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -87.4 | 160.6 | -172.3 | 49.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 1333 | T | 33.5 | Very low | 31.1 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | 179.6 | 106.6 | 139.5 | 28.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1334 | T | 29.9 | Very low | 31 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | 65.5 | 119.4 | 90.7 | 56.4 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1335 | N | 35.4 | Very low | 30.9 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 156.8 | 97.1 | 135.4 | -77.3 | -5.1 | 0 | 0 | 0 | 109.6 | ||||
| 1336 | T | 31.6 | Very low | 30.9 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | 86.1 | 139.3 | 81.3 | 52.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1337 | S | 34.6 | Very low | 30.8 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | 90.2 | 124.9 | 169.1 | 83.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1338 | T | 33.6 | Very low | 30.6 | Very low | 120 Ų | 120 | 137 Ų | 137 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | cis | -170.2 | 162.3 | 2.7 | 11.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1339 | D | 31.2 | Very low | 30.6 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 77.8 | 87.7 | 168.9 | -55.3 | -14.7 | 0 | 0 | 0 | 117 | ||||
| 1340 | S | 31.6 | Very low | 30.5 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | 97.7 | 101.6 | 69.4 | 66.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1341 | H | 29.8 | Very low | 30.8 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -30.5 | 135.4 | 157.2 | -60.7 | -80.1 | 0 | 0 | 0 | 115.2 | ||||
| 1342 | S | 29.6 | Very low | 30.7 | Very low | 110 Ų | 110 | 147 Ų | 147 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -154.7 | 142.8 | 130.1 | 65.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1343 | T | 27.3 | Very low | 30.6 | Very low | 131 Ų | 131 | 151.4 Ų | 151.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -74.3 | 118.6 | -170.8 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1344 | T | 30.3 | Very low | 30.5 | Very low | 118 Ų | 118 | 151.4 Ų | 151.4 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | trans | -108.2 | 89.3 | 162.8 | 52.5 | 0 | 0 | 0 | 0 | 110 | F1346 | T1344-F1346 PolarHBondContact O-N 3.25Å; T1344-F1346 VanDerWaalsContact O-N 3.08Å | ||
| 1345 | K | 27.6 | Very low | 30.4 | Very low | 194 Ų | 194 | 154.5 Ų | 154.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -57.9 | 103.1 | 158.9 | -77.5 | 174.2 | 174.6 | 171 | 0 | 108.3 | R1347 | K1345-R1347 PolarHBondContact O-N 2.82Š| ||
| 1346 | F | 28.7 | Very low | 30.2 | Very low | 203 Ų | 203 | 154.6 Ų | 154.6 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -69.3 | 98.8 | 161.6 | -92.6 | -84.4 | 0 | 0 | 0 | 108.2 | T1344 | T1344-F1346 PolarHBondContact O-N 3.25Å; T1344-F1346 VanDerWaalsContact O-N 3.08Å | ||
| 1347 | R | 28.8 | Very low | 30 | Very low | 230 Ų | 230 | 155.2 Ų | 155.2 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | -79.3 | 122.8 | 177.5 | -134.6 | 177.2 | -179.4 | 178.9 | -1 | 108.3 | K1345 | K1345-R1347 PolarHBondContact O-N 2.82Š| ||
| 1348 | S | 26.8 | Very low | 29.6 | Very low | 100 Ų | 100 | 158.3 Ų | 158.3 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -47.5 | 138.1 | 177.8 | 57.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1349 | S | 30.2 | Very low | 29.4 | Very low | 121 Ų | 121 | 158.1 Ų | 158.1 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -85.5 | 111.8 | 150.3 | 65.9 | 0 | 0 | 0 | 0 | 109.4 | W1351 | S1349-W1351 PolarHBondContact O-N 2.92Š| ||
| 1350 | R | 30.3 | Very low | 29.1 | Very low | 211 Ų | 211 | 158.7 Ų | 158.7 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | trans | -64.3 | 114.3 | 168.7 | -88.6 | 168.6 | 153.9 | 165.7 | -8 | 110.5 | ||||
| 1351 | W | 33.8 | Very low | 28.9 | Very low | 249 Ų | 249 | 159.3 Ų | 159.3 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | -137.5 | 135.5 | 126.2 | -76.6 | 98.4 | 0 | 0 | 0 | 106.2 | S1349 | S1349-W1351 PolarHBondContact O-N 2.92Š| |||
| 1352 | D | 30.6 | Very low | 28.7 | Very low | 134 Ų | 134 | 159.5 Ų | 159.5 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | trans | -67 | 142.8 | -146.5 | -65.2 | -63.9 | 0 | 0 | 0 | 117.3 | ||||
| 1353 | K | 28.1 | Very low | 28.6 | Very low | 193 Ų | 193 | 160.5 Ų | 160.5 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -99.1 | 152.3 | 150.7 | -76.4 | -176.5 | 177.3 | -178.6 | 0 | 108 | ||||
| 1354 | P | 30 | Very low | 28.7 | Very low | 129 Ų | 129 | 160.2 Ų | 160.2 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | -120.9 | 135.2 | 126.7 | 28.4 | -16.8 | 0 | 0 | 0 | 111.3 | |||||
| 1355 | K | 27.6 | Very low | 28.5 | Very low | 182 Ų | 182 | 162 Ų | 162 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -62.7 | 144.5 | 167.2 | -71.7 | 168.1 | 170.3 | 176.4 | 0 | 109.4 | ||||
| 1356 | D | 31.2 | Very low | 28.5 | Very low | 144 Ų | 144 | 159 Ų | 159 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | -159.4 | 116.9 | 125.8 | -91.7 | -30.1 | 0 | 0 | 0 | 111.8 | |||||
| 1357 | N | 29 | Very low | 28.4 | Very low | 138 Ų | 138 | 154.7 Ų | 154.7 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 66.6 | 94.3 | 139.4 | -53.3 | -35.2 | 0 | 0 | 0 | 121.2 | ||||
| 1358 | L | 25.9 | Very low | 28.4 | Very low | 174 Ų | 174 | 150 Ų | 150 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | -1.3 | 114.9 | 132.9 | -106.3 | 76.4 | 0 | 0 | 0 | 116.1 | ||||
| 1359 | S | 28.2 | Very low | 28.4 | Very low | 116 Ų | 116 | 153.9 Ų | 153.9 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | -163.3 | 132.4 | 127.4 | 48.8 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1360 | N | 24.9 | Very low | 28.2 | Very low | 157 Ų | 157 | 158.6 Ų | 158.6 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -36.4 | 127.3 | -179.8 | -61.8 | -24.5 | 0 | 0 | 0 | 116.2 | ||||
| 1361 | T | 28 | Very low | 28.2 | Very low | 117 Ų | 117 | 154.3 Ų | 154.3 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | -152.1 | 100.7 | 136.6 | 37.6 | 0 | 0 | 0 | 0 | 109.7 | K1363 | T1361-K1363 PolarHBondContact O-N 2.94Å; T1361-K1363 VanDerWaalsContact O-N 3.11Å | ||
| 1362 | K | 26 | Very low | 27.8 | Very low | 198 Ų | 198 | 150.4 Ų | 150.4 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | -56.7 | 108 | 156.3 | -76.6 | 177.9 | 174.1 | 179.3 | 0 | 106.5 | ||||
| 1363 | K | 28.1 | Very low | 27.7 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 57% | 0.57 | 75% | 0.754 | S | S | * | * | trans | -108.9 | 100 | 171 | -87.6 | -173.3 | 176.9 | -176.7 | 0 | 108.6 | S565 T1361 N1365 | S565-K1363 PolarHBondContact OG-NZ 3.4Å; T1361-K1363 PolarHBondContact O-N 2.94Å; T1361-K1363 VanDerWaalsContact O-N 3.11Å; K1363-N1365 PolarHBondContact O-N 3.46Å | ||
| 1364 | H | 28.2 | Very low | 27.6 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 58% | 0.579 | 74% | 0.742 | S | S | * | * | trans | -51.4 | 123.7 | 167.3 | -102.4 | -70.4 | 0 | 0 | 0 | 110.7 | E1312 N1366 | E1312-H1364 IonicContact OE1-CE1 3.56Å; E1312-H1364 PolarHBondContact OE1-CE1 3Å; E1312-H1364 VanDerWaalsContact OE1-CE1 3.24Å; E1312-H1364 IonicContact OE1-NE2 3.67Å; E1312-H1364 PolarHBondContact OE1-NE2 3.34Å; E1312-H1364 IonicContact OE2-NE2 3.78Å; H1364-N1366 VanDerWaalsContact C-N 3.3Å; H1364-N1366 PolarHBondContact O-N 3.06Å | ||
| 1365 | N | 26.6 | Very low | 27.5 | Very low | 157 Ų | 157 | 144 Ų | 144 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | trans | -74 | 81.5 | 171.9 | -82.5 | -24.2 | 0 | 0 | 0 | 109.6 | K1363 S1367 | K1363-N1365 PolarHBondContact O-N 3.46Å; N1365-S1367 PolarHBondContact O-N 3.47Å | ||
| 1366 | N | 27.7 | Very low | 28 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | trans | -87.7 | 80.1 | 166.7 | -89.3 | -14.8 | 0 | 0 | 0 | 109.9 | H1364 N1368 | H1364-N1366 VanDerWaalsContact C-N 3.3Å; H1364-N1366 PolarHBondContact O-N 3.06Å; N1366-N1368 PolarHBondContact O-N 2.86Å | ||
| 1367 | S | 27 | Very low | 28.4 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | trans | -84.5 | 54.7 | 162.2 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | N1365 K1369 | N1365-S1367 PolarHBondContact O-N 3.47Å; S1367-K1369 PolarHBondContact O-N 2.89Å | ||
| 1368 | N | 27.5 | Very low | 29 | Very low | 133 Ų | 133 | 136 Ų | 136 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | trans | -72.4 | 87.1 | 162.1 | -82 | -13.1 | 0 | 0 | 0 | 107.7 | N1366 R1370 | N1366-N1368 PolarHBondContact O-N 2.86Å; N1368-R1370 PolarHBondContact O-N 3.1Å | ||
| 1369 | K | 28.1 | Very low | 30 | Very low | 181 Ų | 181 | 129 Ų | 129 | 79% | 0.787 | 67% | 0.665 | S | S | * | * | trans | -56 | 100.1 | 151.4 | -90.5 | -176.9 | 176.3 | 179.3 | 0 | 105.2 | S1367 Y1371 | S1367-K1369 PolarHBondContact O-N 2.89Å; K1369-Y1371 PolarHBondContact O-N 3.5Å | ||
| 1370 | R | 25.7 | Very low | 31.1 | Very low | 219 Ų | 219 | 124.1 Ų | 124.1 | 83% | 0.826 | 63% | 0.63 | S | S | * | * | trans | -45.2 | 111.5 | 170.5 | -76.4 | 176.3 | 179 | 164.5 | -1.4 | 106.8 | N1368 H1372 | N1368-R1370 PolarHBondContact O-N 3.1Å; R1370-H1372 PolarHBondContact O-N 3.36Å; R1370-H1372 VanDerWaalsContact O-N 3.07Å | ||
| 1371 | Y | 29.3 | Very low | 32.3 | Very low | 122 Ų | 122 | 118.4 Ų | 118.4 | 48% | 0.478 | 60% | 0.599 | S | S | . | * | trans | -52.7 | 115.7 | 150.7 | -75.4 | -86.7 | 0 | 0 | 0 | 104.7 | K1369 S1373 D1455 K1459 | K1369-Y1371 PolarHBondContact O-N 3.5Å; Y1371-S1373 PolarHBondContact O-N 2.94Å; Y1371-D1455 PolarHBondContact OH-OD1 3.08Å; Y1371-D1455 PolarHBondContact OH-OD2 3.07Å; Y1371-K1459 PolarHBondContact OH-NZ 2.85Å; Y1371-K1459 VanDerWaalsContact OH-NZ 3.14Å | ||
| 1372 | H | 26.7 | Very low | 33.3 | Very low | 166 Ų | 166 | 115.6 Ų | 115.6 | 77% | 0.769 | 58% | 0.583 | S | S | * | * | trans | -69 | 61.8 | 161.5 | -91.9 | -75.8 | 0 | 0 | 0 | 107.6 | R1370 D1374 | R1370-H1372 PolarHBondContact O-N 3.36Å; R1370-H1372 VanDerWaalsContact O-N 3.07Å; H1372-D1374 VanDerWaalsContact C-N 3.31Å; H1372-D1374 IonicContact ND1-OD1 3.24Å; H1372-D1374 PolarHBondContact O-N 2.87Å | ||
| 1373 | S | 28 | Very low | 34.7 | Very low | 97 Ų | 97 | 106.2 Ų | 106.2 | 68% | 0.678 | 54% | 0.542 | S | S | * | . | trans | -80.3 | 94.7 | 144 | 56.5 | 0 | 0 | 0 | 0 | 103.7 | Y1371 S1375 | Y1371-S1373 PolarHBondContact O-N 2.94Å; S1373-S1375 VanDerWaalsContact C-N 3.29Å; S1373-S1375 PolarHBondContact O-N 3.46Å | ||
| 1374 | D | 26.7 | Very low | 35.9 | Very low | 112 Ų | 112 | 100.2 Ų | 100.2 | 60% | 0.599 | 52% | 0.516 | S | S | * | . | trans | -54.4 | 100.6 | 170.1 | -82.7 | -17.6 | 0 | 0 | 0 | 108 | H1372 H1376 | H1372-D1374 VanDerWaalsContact C-N 3.31Å; H1372-D1374 IonicContact ND1-OD1 3.24Å; H1372-D1374 PolarHBondContact O-N 2.87Å; D1374-H1376 VanDerWaalsContact C-N 3.35Å; D1374-H1376 PolarHBondContact O-CD2 3.37Å; D1374-H1376 VanDerWaalsContact O-CD2 3.24Å; D1374-H1376 PolarHBondContact O-N 2.98Å | ||
| 1375 | S | 27.5 | Very low | 37.2 | Very low | 112 Ų | 112 | 97.8 Ų | 97.8 | 78% | 0.783 | 51% | 0.507 | S | S | * | . | trans | 26.6 | 54.7 | 152.2 | 62.1 | 0 | 0 | 0 | 0 | 118.1 | S1373 | S1373-S1375 VanDerWaalsContact C-N 3.29Å; S1373-S1375 PolarHBondContact O-N 3.46Å | ||
| 1376 | H | 38.7 | Very low | 38.6 | Very low | 91 Ų | 91 | 94.3 Ų | 94.3 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | trans | -93.5 | 91.2 | 157.2 | -73.6 | -73.5 | 0 | 0 | 0 | 107.1 | S1263 D1374 S1378 | S1263-H1376 PolarHBondContact OG-CE1 3.42Å; S1263-H1376 PolarHBondContact OG-NE2 3.15Å; D1374-H1376 VanDerWaalsContact C-N 3.35Å; D1374-H1376 PolarHBondContact O-CD2 3.37Å; D1374-H1376 VanDerWaalsContact O-CD2 3.24Å; D1374-H1376 PolarHBondContact O-N 2.98Å; H1376-S1378 PolarHBondContact O-N 3.07Å | ||
| 1377 | E | 38.6 | Very low | 39.8 | Very low | 171 Ų | 171 | 95.5 Ų | 95.5 | 80% | 0.799 | 49% | 0.486 | S | S | * | . | trans | -45.2 | 128.6 | 163.8 | -76.4 | 179.1 | 152.2 | 0 | 0 | 108 | V1379 | E1377-V1379 VanDerWaalsContact C-N 3.31Å; E1377-V1379 WeakPolarHBondContact O-CG2 3.3Å; E1377-V1379 PolarHBondContact O-N 3.24Å | ||
| 1378 | S | 41.2 | Very low | 41.3 | Very low | 34 Ų | 34 | 91.6 Ų | 91.6 | 24% | 0.238 | 46% | 0.457 | C | S | . | . | trans | -60.4 | 86.6 | -176.7 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | H1376 T1380 | H1376-S1378 PolarHBondContact O-N 3.07Å; S1378-T1380 PolarHBondContact O-N 3.18Å | ||
| 1379 | V | 47.1 | Very low | 42.9 | Very low | 28 Ų | 28 | 85.4 Ų | 85.4 | 17% | 0.17 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -6.4 | 176.6 | -162.8 | 0 | 0 | 0 | 0 | 111.7 | L1109 H1110 E1377 P1382 | L1109-V1379 HydrophobicContact CB-CG1 4.1Å; H1110-V1379 VanDerWaalsContact CE1-CG2 3.41Å; H1110-V1379 WeakPolarHBondContact CE1-CG2 3.25Å; H1110-V1379 VanDerWaalsContact NE2-CG1 3.3Å; H1110-V1379 WeakPolarHBondContact NE2-CG1 3.31Å; H1110-V1379 VanDerWaalsContact NE2-CG2 3.32Å; H1110-V1379 WeakPolarHBondContact NE2-CG2 3.48Å; E1377-V1379 VanDerWaalsContact C-N 3.31Å; E1377-V1379 WeakPolarHBondContact O-CG2 3.3Å; E1377-V1379 PolarHBondContact O-N 3.24Å; V1379-P1382 VanDerWaalsContact O-CD 3.31Å; V1379-P1382 WeakPolarHBondContact O-CD 3.45Å |
| 1380 | T | 52.6 | Low | 44.2 | Very low | 14 Ų | 14 | 82.6 Ų | 82.6 | 9% | 0.086 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -23.3 | -177.1 | 44.4 | 0 | 0 | 0 | 0 | 113.7 | I1274 I1296 S1378 F1383 L1384 | I1274-T1380 HydrophobicContact CD1-CG2 3.72Å; I1296-T1380 WeakPolarHBondContact CG2-OG1 3.48Å; S1378-T1380 PolarHBondContact O-N 3.18Å; T1380-F1383 PolarHBondContact O-N 3.17Å; T1380-L1384 PolarHBondContact O-N 3.25Å |
| 1381 | L | 48.8 | Very low | 45.5 | Very low | 37 Ų | 37 | 74.8 Ų | 74.8 | 19% | 0.194 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -44.8 | -176.1 | -85.9 | 160 | 0 | 0 | 0 | 115.5 | I1296 N1297 N1300 F1383 | I1296-L1381 HydrophobicContact CG2-CD1 4.13Å; I1296-L1381 HydrophobicContact CG2-CD2 4.14Å; I1296-L1381 HydrophobicContact CG2-CG 3.66Å; N1297-L1381 WeakPolarHBondContact OD1-CD2 3.07Å; N1300-L1381 HydrophobicContact CB-CD1 4.35Å; N1300-L1381 WeakPolarHBondContact ND2-CD1 3.43Å; L1381-F1383 PolarHBondContact O-N 2.72Å |
| 1382 | P | 50.1 | Low | 46.6 | Very low | 58 Ų | 58 | 76.7 Ų | 76.7 | 38% | 0.377 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -67.4 | -26.6 | 176.6 | -15.7 | 29.2 | 0 | 0 | 0 | 112.8 | L1109 V1379 L1384 L1388 | L1109-P1382 HydrophobicContact CD2-CB 3.99Å; L1109-P1382 HydrophobicContact CD2-CG 4.44Å; V1379-P1382 VanDerWaalsContact O-CD 3.31Å; V1379-P1382 WeakPolarHBondContact O-CD 3.45Å; P1382-L1384 VanDerWaalsContact C-N 3.32Å; P1382-L1388 VanDerWaalsContact O-CD1 3.29Å; P1382-L1388 WeakPolarHBondContact O-CD1 3.19Å |
| 1383 | F | 54.6 | Low | 47.7 | Very low | 1 Ų | 1 | 70.5 Ų | 70.5 | 0% | 0.004 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -80.3 | -14.8 | -173.5 | -144.5 | -115.3 | 0 | 0 | 0 | 113.3 | F1105 L1109 I1274 T1380 L1381 W1389 | F1105-F1383 AromaticContact CD1-CE2 3.43Å; F1105-F1383 HydrophobicContact CD1-CE2 3.43Å; F1105-F1383 VanDerWaalsContact CD1-CE2 3.43Å; F1105-F1383 AromaticContact CD1-CZ 3.71Å; F1105-F1383 HydrophobicContact CD1-CZ 3.71Å; F1105-F1383 AromaticContact CE1-CE2 3.53Å; F1105-F1383 HydrophobicContact CE1-CE2 3.53Å; F1105-F1383 AromaticContact CE1-CZ 3.59Å; F1105-F1383 HydrophobicContact CE1-CZ 3.59Å; F1105-F1383 HydrophobicContact CG-CE2 4.23Å; F1105-F1383 HydrophobicContact CG-CZ 4.23Å; F1105-F1383 HydrophobicContact CZ-CE2 4.41Å; F1105-F1383 HydrophobicContact CZ-CZ 4.02Å; L1109-F1383 HydrophobicContact CD1-CD2 3.74Å; L1109-F1383 HydrophobicContact CD1-CE2 4.07Å; L1109-F1383 HydrophobicContact CD2-CD2 4.18Å; L1109-F1383 HydrophobicContact CG-CD2 4.48Å; I1274-F1383 HydrophobicContact CB-CD1 3.84Å; I1274-F1383 HydrophobicContact CB-CE1 4.13Å; I1274-F1383 HydrophobicContact CD1-CD1 4.46Å; I1274-F1383 HydrophobicContact CG2-CD1 3.53Å; I1274-F1383 HydrophobicContact CG2-CE1 4.16Å; T1380-F1383 PolarHBondContact O-N 3.17Å; L1381-F1383 PolarHBondContact O-N 2.72Å; F1383-W1389 HydrophobicContact CD1-CZ2 4.01Å; F1383-W1389 HydrophobicContact CE1-CH2 4.09Å; F1383-W1389 AromaticContact CE1-CZ2 3.47Å; F1383-W1389 HydrophobicContact CE1-CZ2 3.47Å; F1383-W1389 VanDerWaalsContact CE1-CZ2 3.47Å; F1383-W1389 HydrophobicContact CE2-CZ2 4.06Å; F1383-W1389 HydrophobicContact CZ-CH2 4.05Å; F1383-W1389 AromaticContact CZ-CZ2 3.51Å; F1383-W1389 HydrophobicContact CZ-CZ2 3.51Å; F1383-W1389 PolarHBondContact O-NE1 3.08Å |
| 1384 | L | 54.3 | Low | 48.8 | Very low | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -93.6 | -9.1 | -179.3 | -71.1 | 162.6 | 0 | 0 | 0 | 114 | I1274 L1292 E1293 I1296 T1380 P1382 K1386 | I1274-L1384 HydrophobicContact CG2-CD2 4.25Å; L1292-L1384 HydrophobicContact CD2-CD1 4.41Å; L1292-L1384 HydrophobicContact CD2-CD2 3.9Å; L1292-L1384 HydrophobicContact CG-CD1 4.25Å; L1292-L1384 HydrophobicContact CG-CD2 4.46Å; E1293-L1384 HydrophobicContact CG-CB 3.99Å; E1293-L1384 HydrophobicContact CG-CD1 4.49Å; I1296-L1384 HydrophobicContact CD1-CD1 3.52Å; T1380-L1384 PolarHBondContact O-N 3.25Å; P1382-L1384 VanDerWaalsContact C-N 3.32Å; L1384-K1386 PolarHBondContact O-N 3.24Å |
| 1385 | D | 54.9 | Low | 50 | Low | 74 Ų | 74 | 72 Ų | 72 | 40% | 0.396 | 38% | 0.377 | S | S | . | . | trans | -64.1 | 114 | -178.7 | -168.5 | -7.5 | 0 | 0 | 0 | 111.2 | Q1387 L1388 | D1385-Q1387 PolarHBondContact O-N 3.23Å; D1385-Q1387 PolarHBondContact OD1-N 3.38Å; D1385-L1388 HydrophobicContact CB-CD1 4.06Å; D1385-L1388 PolarHBondContact O-N 3.01Å; D1385-L1388 VanDerWaalsContact O-N 3.08Å | ||
| 1386 | K | 55.6 | Low | 51 | Low | 84 Ų | 84 | 72.2 Ų | 72.2 | 37% | 0.365 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -27.1 | -177.5 | -69.1 | 177.6 | -177.5 | 169.3 | 0 | 113.3 | E1293 L1384 L1388 | E1293-K1386 WeakPolarHBondContact OE1-CE 3.23Å; L1384-K1386 PolarHBondContact O-N 3.24Å; K1386-L1388 VanDerWaalsContact C-N 3.33Å; K1386-L1388 PolarHBondContact O-N 3.19Å |
| 1387 | Q | 53.8 | Low | 51.7 | Low | 156 Ų | 156 | 73.8 Ų | 73.8 | 73% | 0.729 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -24.7 | -177.1 | -62.7 | -171.2 | 6.7 | 0 | 0 | 113.5 | D1385 | D1385-Q1387 PolarHBondContact O-N 3.23Å; D1385-Q1387 PolarHBondContact OD1-N 3.38Å |
| 1388 | L | 57.8 | Low | 52.7 | Low | 30 Ų | 30 | 68.7 Ų | 68.7 | 16% | 0.157 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -26.7 | -175.3 | -71.8 | 165.5 | 0 | 0 | 0 | 113 | L1160 I1164 P1382 D1385 K1386 | L1160-L1388 HydrophobicContact CD2-CD1 3.85Å; L1160-L1388 HydrophobicContact CD2-CD2 4.11Å; L1160-L1388 HydrophobicContact CD2-CG 4.49Å; I1164-L1388 HydrophobicContact CD1-CB 4.44Å; P1382-L1388 VanDerWaalsContact O-CD1 3.29Å; P1382-L1388 WeakPolarHBondContact O-CD1 3.19Å; D1385-L1388 HydrophobicContact CB-CD1 4.06Å; D1385-L1388 PolarHBondContact O-N 3.01Å; D1385-L1388 VanDerWaalsContact O-N 3.08Å; K1386-L1388 VanDerWaalsContact C-N 3.33Å; K1386-L1388 PolarHBondContact O-N 3.19Å |
| 1389 | W | 60.5 | Low | 53.7 | Low | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.008 | 37% | 0.367 | C | S | . | . | trans | -96.4 | 1.3 | -168.1 | -72.2 | 87.6 | 0 | 0 | 0 | 114.7 | I1164 Y1168 Q1278 Q1282 F1383 L1391 | I1164-W1389 HydrophobicContact CD1-CD2 4.24Å; I1164-W1389 HydrophobicContact CD1-CZ2 4.32Å; I1164-W1389 HydrophobicContact CG1-CH2 4.36Å; I1164-W1389 HydrophobicContact CG1-CZ2 4.32Å; I1164-W1389 HydrophobicContact CG2-CD2 4.43Å; I1164-W1389 HydrophobicContact CG2-CE3 3.95Å; I1164-W1389 HydrophobicContact CG2-CZ3 4.05Å; Y1168-W1389 HydrophobicContact CD2-CE3 4.43Å; Y1168-W1389 HydrophobicContact CD2-CZ3 4.22Å; Y1168-W1389 HydrophobicContact CE2-CD2 4.49Å; Y1168-W1389 AromaticContact CE2-CE3 3.28Å; Y1168-W1389 HydrophobicContact CE2-CE3 3.28Å; Y1168-W1389 AromaticContact CE2-CZ3 3.38Å; Y1168-W1389 HydrophobicContact CE2-CZ3 3.38Å; Y1168-W1389 AromaticContact CZ-CE3 3.54Å; Y1168-W1389 AromaticContact CZ-CZ3 3.74Å; Q1278-W1389 HydrophobicContact CB-CD2 3.89Å; Q1278-W1389 HydrophobicContact CB-CE3 3.83Å; Q1278-W1389 HydrophobicContact CB-CG 4.37Å; Q1278-W1389 HydrophobicContact CB-CZ3 4.17Å; Q1278-W1389 HydrophobicContact CG-CD2 4Å; Q1278-W1389 HydrophobicContact CG-CE3 4.41Å; Q1278-W1389 HydrophobicContact CG-CG 4.29Å; Q1278-W1389 HydrophobicContact CG-CZ2 4.33Å; Q1282-W1389 VanDerWaalsContact NE2-C 3.27Å; Q1282-W1389 VanDerWaalsContact NE2-CB 3.33Å; Q1282-W1389 PolarHBondContact NE2-O 2.9Å; F1383-W1389 HydrophobicContact CD1-CZ2 4.01Å; F1383-W1389 HydrophobicContact CE1-CH2 4.09Å; F1383-W1389 AromaticContact CE1-CZ2 3.47Å; F1383-W1389 HydrophobicContact CE1-CZ2 3.47Å; F1383-W1389 VanDerWaalsContact CE1-CZ2 3.47Å; F1383-W1389 HydrophobicContact CE2-CZ2 4.06Å; F1383-W1389 HydrophobicContact CZ-CH2 4.05Å; F1383-W1389 AromaticContact CZ-CZ2 3.51Å; F1383-W1389 HydrophobicContact CZ-CZ2 3.51Å; F1383-W1389 PolarHBondContact O-NE1 3.08Å; W1389-L1391 PolarHBondContact O-N 2.79Å; W1389-L1391 VanDerWaalsContact O-N 3.11Å | ||
| 1390 | I | 55.5 | Low | 54.6 | Low | 123 Ų | 123 | 70.6 Ų | 70.6 | 63% | 0.631 | 39% | 0.385 | S | S | * | . | trans | -62.6 | 114.3 | -173.8 | -54.9 | 172 | 0 | 0 | 0 | 112 | ||||
| 1391 | L | 54.1 | Low | 55.3 | Low | 55 Ų | 55 | 70.3 Ų | 70.3 | 29% | 0.288 | 39% | 0.385 | S | S | . | . | trans | -114.9 | 132.3 | 169.7 | -92.8 | 116 | 0 | 0 | 0 | 112 | Y1168 W1389 L1393 | Y1168-L1391 HydrophobicContact CD1-CD1 4.01Å; Y1168-L1391 HydrophobicContact CD2-CD1 3.2Å; Y1168-L1391 HydrophobicContact CE1-CD1 3.81Å; Y1168-L1391 HydrophobicContact CE2-CD1 3.05Å; Y1168-L1391 HydrophobicContact CG-CD1 3.69Å; W1389-L1391 PolarHBondContact O-N 2.79Å; W1389-L1391 VanDerWaalsContact O-N 3.11Å; L1391-L1393 HydrophobicContact CB-CD1 3.63Å; L1391-L1393 HydrophobicContact CB-CG 4.03Å; L1391-L1393 PolarHBondContact O-N 3.03Å | ||
| 1392 | D | 51 | Low | 56.4 | Low | 161 Ų | 161 | 75.2 Ų | 75.2 | 86% | 0.861 | 41% | 0.405 | S | S | * | . | trans | -70.6 | 77 | 161.5 | -70.6 | -33.7 | 0 | 0 | 0 | 108.8 | E1394 | D1392-E1394 PolarHBondContact O-N 2.92Š| ||
| 1393 | L | 50.7 | Low | 57.4 | Low | 37 Ų | 37 | 74.4 Ų | 74.4 | 19% | 0.194 | 40% | 0.4 | C | S | . | . | trans | -78.1 | 101.4 | 177.6 | -88.8 | 134.1 | 0 | 0 | 0 | 110.8 | I1172 L1391 T1395 | I1172-L1393 HydrophobicContact CD1-CD2 3.65Å; L1391-L1393 HydrophobicContact CB-CD1 3.63Å; L1391-L1393 HydrophobicContact CB-CG 4.03Å; L1391-L1393 PolarHBondContact O-N 3.03Å; L1393-T1395 PolarHBondContact O-N 3.28Å | ||
| 1394 | E | 50.8 | Low | 58.5 | Low | 195 Ų | 195 | 74.3 Ų | 74.3 | 91% | 0.911 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -2.5 | 171.4 | -68.7 | -176.3 | 160.5 | 0 | 0 | 113.5 | D1392 | D1392-E1394 PolarHBondContact O-N 2.92Š|
| 1395 | T | 50.9 | Low | 59.5 | Low | 45 Ų | 45 | 74.2 Ų | 74.2 | 28% | 0.276 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 25.8 | -168.2 | 53.5 | 0 | 0 | 0 | 0 | 115.6 | L1393 S1397 S1398 | L1393-T1395 PolarHBondContact O-N 3.28Å; T1395-S1397 PolarHBondContact O-N 2.99Å; T1395-S1398 PolarHBondContact O-N 3.47Å; T1395-S1398 PolarHBondContact O-OG 3.41Å |
| 1396 | N | 48.7 | Very low | 60.6 | Low | 117 Ų | 117 | 74.9 Ų | 74.9 | 63% | 0.626 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -12.7 | 178.5 | -77.1 | -16.4 | 0 | 0 | 0 | 114.8 | ||
| 1397 | S | 53.7 | Low | 61.7 | Low | 124 Ų | 124 | 72 Ų | 72 | 87% | 0.867 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -10.9 | -178.6 | 63.7 | 0 | 0 | 0 | 0 | 115.6 | T1395 | T1395-S1397 PolarHBondContact O-N 2.99Š|
| 1398 | S | 60 | Low | 63.1 | Low | 63 Ų | 63 | 64.5 Ų | 64.5 | 44% | 0.441 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -16.2 | -172.5 | 59.4 | 0 | 0 | 0 | 0 | 116.2 | T1395 | T1395-S1398 PolarHBondContact O-N 3.47Å; T1395-S1398 PolarHBondContact O-OG 3.41Å |
| 1399 | I | 62.2 | Low | 64.3 | Low | 21 Ų | 21 | 65.1 Ų | 65.1 | 11% | 0.108 | 36% | 0.359 | C | S | . | . | trans | -108.1 | 118.9 | -173.5 | -53.2 | 174 | 0 | 0 | 0 | 110.1 | I1172 L1176 V1177 I1283 G1401 L1404 | I1172-I1399 HydrophobicContact CG2-CD1 4.04Å; L1176-I1399 HydrophobicContact CB-CD1 4.44Å; V1177-I1399 HydrophobicContact CG2-CD1 4.42Å; V1177-I1399 HydrophobicContact CG2-CG1 4.36Å; I1283-I1399 HydrophobicContact CD1-CB 4.38Å; I1283-I1399 HydrophobicContact CD1-CD1 4.32Å; I1283-I1399 HydrophobicContact CD1-CG2 4.04Å; I1399-G1401 PolarHBondContact O-N 2.9Å; I1399-L1404 HydrophobicContact CG2-CD1 3.74Å; I1399-L1404 HydrophobicContact CG2-CG 4.15Å | ||
| 1400 | C | 66.2 | Low | 65.2 | Low | 82 Ų | 82 | 68.4 Ų | 68.4 | 55% | 0.554 | 37% | 0.372 | S | S | * | . | trans | -82.1 | 114.8 | 175.4 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | K1402 S1403 | C1400-K1402 PolarHBondContact O-N 3.48Å; C1400-S1403 PolarHBondContact O-N 3.24Å; C1400-S1403 PolarHBondContact O-OG 3.37Å | ||
| 1401 | G | 67.9 | Low | 66.5 | Low | 8 Ų | 8 | 62.6 Ų | 62.6 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.4 | -20.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1284 I1399 C1405 | N1284-G1401 WeakPolarHBondContact ND2-CA 3.22Å; I1399-G1401 PolarHBondContact O-N 2.9Å; G1401-C1405 PolarHBondContact O-N 3.41Å; G1401-C1405 PolarHBondContact O-SG 3.27Å; G1401-C1405 VanDerWaalsContact O-SG 3.36Å |
| 1402 | K | 71.1 | Confident | 67.8 | Low | 139 Ų | 139 | 60 Ų | 60 | 60% | 0.604 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.7 | -40 | 172.5 | -171.5 | 172.8 | -179.6 | 175.8 | 0 | 112.3 | C1400 L1404 C1405 D1406 | C1400-K1402 PolarHBondContact O-N 3.48Å; K1402-L1404 VanDerWaalsContact C-N 3.33Å; K1402-L1404 PolarHBondContact O-N 3.03Å; K1402-C1405 PolarHBondContact O-N 3.07Å; K1402-D1406 PolarHBondContact O-N 3.2Å; K1402-D1406 VanDerWaalsContact O-N 3.13Å |
| 1403 | S | 72.2 | Confident | 69.3 | Low | 41 Ų | 41 | 54.9 Ų | 54.9 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 178.8 | 73.4 | 0 | 0 | 0 | 0 | 110.5 | C1400 C1405 D1406 H1407 | C1400-S1403 PolarHBondContact O-N 3.24Å; C1400-S1403 PolarHBondContact O-OG 3.37Å; S1403-C1405 VanDerWaalsContact C-N 3.32Å; S1403-C1405 PolarHBondContact O-N 2.74Å; S1403-D1406 WeakPolarHBondContact O-CB 3.41Å; S1403-D1406 PolarHBondContact O-N 3.03Å; S1403-D1406 VanDerWaalsContact O-N 3.09Å; S1403-H1407 PolarHBondContact O-CE1 3.44Å; S1403-H1407 PolarHBondContact O-N 3.39Å; S1403-H1407 VanDerWaalsContact O-N 3.07Å; S1403-H1407 PolarHBondContact O-ND1 3.16Å |
| 1404 | L | 75.8 | Confident | 70.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.1 | -43.6 | 175.2 | -78.6 | 169.4 | 0 | 0 | 0 | 112.7 | L1176 F1276 I1279 I1283 I1399 K1402 D1406 H1407 L1408 | L1176-L1404 HydrophobicContact CD1-CD2 3.6Å; L1176-L1404 HydrophobicContact CD2-CD2 3.8Å; L1176-L1404 HydrophobicContact CG-CD2 4.37Å; F1276-L1404 HydrophobicContact CD1-CD2 4.24Å; F1276-L1404 HydrophobicContact CE1-CD2 4.33Å; I1279-L1404 HydrophobicContact CG2-CD1 3.99Å; I1279-L1404 HydrophobicContact CG2-CD2 4.19Å; I1283-L1404 HydrophobicContact CD1-CD1 3.37Å; I1399-L1404 HydrophobicContact CG2-CD1 3.74Å; I1399-L1404 HydrophobicContact CG2-CG 4.15Å; K1402-L1404 VanDerWaalsContact C-N 3.33Å; K1402-L1404 PolarHBondContact O-N 3.03Å; L1404-D1406 VanDerWaalsContact C-N 3.33Å; L1404-D1406 PolarHBondContact O-N 2.86Å; L1404-H1407 PolarHBondContact O-N 3.21Å; L1404-L1408 WeakPolarHBondContact O-CB 3.25Å; L1404-L1408 PolarHBondContact O-N 3Å |
| 1405 | C | 76.6 | Confident | 71.5 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 174.4 | -65.6 | 0 | 0 | 0 | 0 | 112.3 | G1401 K1402 S1403 H1407 L1408 N1409 I1432 | G1401-C1405 PolarHBondContact O-N 3.41Å; G1401-C1405 PolarHBondContact O-SG 3.27Å; G1401-C1405 VanDerWaalsContact O-SG 3.36Å; K1402-C1405 PolarHBondContact O-N 3.07Å; S1403-C1405 VanDerWaalsContact C-N 3.32Å; S1403-C1405 PolarHBondContact O-N 2.74Å; C1405-H1407 PolarHBondContact O-N 3.46Å; C1405-L1408 PolarHBondContact O-N 2.83Å; C1405-N1409 VanDerWaalsContact O-CB 3.23Å; C1405-N1409 WeakPolarHBondContact O-CB 3.26Å; C1405-N1409 PolarHBondContact O-N 3.38Å; C1405-I1432 HydrophobicContact CB-CG2 4.32Å |
| 1406 | D | 78.1 | Confident | 72.8 | Confident | 87 Ų | 87 | 47.3 Ų | 47.3 | 47% | 0.465 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 177.9 | -64 | -28.1 | 0 | 0 | 0 | 111.6 | K1402 S1403 L1404 Y1410 | K1402-D1406 PolarHBondContact O-N 3.2Å; K1402-D1406 VanDerWaalsContact O-N 3.13Å; S1403-D1406 WeakPolarHBondContact O-CB 3.41Å; S1403-D1406 PolarHBondContact O-N 3.03Å; S1403-D1406 VanDerWaalsContact O-N 3.09Å; L1404-D1406 VanDerWaalsContact C-N 3.33Å; L1404-D1406 PolarHBondContact O-N 2.86Å; D1406-Y1410 PolarHBondContact O-N 2.85Å |
| 1407 | H | 78.9 | Confident | 74.1 | Confident | 23 Ų | 23 | 46.4 Ų | 46.4 | 11% | 0.106 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.1 | -46.1 | 174.7 | -61.9 | 97.2 | 0 | 0 | 0 | 112.2 | L1223 Y1227 S1403 L1404 C1405 N1409 Y1410 F1411 | L1223-H1407 WeakPolarHBondContact CD1-CD2 3.36Å; L1223-H1407 WeakPolarHBondContact CD1-NE2 3.43Å; L1223-H1407 WeakPolarHBondContact CD2-NE2 3.11Å; Y1227-H1407 AromaticContact CZ-CD2 3.86Å; Y1227-H1407 PolarHBondContact OH-CD2 3.31Å; S1403-H1407 PolarHBondContact O-CE1 3.44Å; S1403-H1407 PolarHBondContact O-N 3.39Å; S1403-H1407 VanDerWaalsContact O-N 3.07Å; S1403-H1407 PolarHBondContact O-ND1 3.16Å; L1404-H1407 PolarHBondContact O-N 3.21Å; C1405-H1407 PolarHBondContact O-N 3.46Å; H1407-N1409 VanDerWaalsContact C-N 3.29Å; H1407-N1409 PolarHBondContact O-N 3.1Å; H1407-Y1410 WeakPolarHBondContact O-CB 3.43Å; H1407-Y1410 PolarHBondContact O-N 2.9Å; H1407-Y1410 VanDerWaalsContact O-N 3.16Å; H1407-F1411 HydrophobicContact CB-CE2 4.2Å; H1407-F1411 WeakPolarHBondContact O-CD2 3.49Å; H1407-F1411 WeakPolarHBondContact O-CG 3.43Å; H1407-F1411 PolarHBondContact O-N 3.42Å |
| 1408 | L | 82 | Confident | 74.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -39.4 | 178.1 | -174.9 | 61.6 | 0 | 0 | 0 | 111.2 | I1273 F1276 A1277 L1404 C1405 F1411 L1412 L1428 I1432 | I1273-L1408 HydrophobicContact CG2-CD1 3.97Å; F1276-L1408 HydrophobicContact CB-CD1 3.9Å; A1277-L1408 HydrophobicContact CB-CD2 4.13Å; L1404-L1408 WeakPolarHBondContact O-CB 3.25Å; L1404-L1408 PolarHBondContact O-N 3Å; C1405-L1408 PolarHBondContact O-N 2.83Å; L1408-F1411 PolarHBondContact O-N 3.14Å; L1408-L1412 HydrophobicContact CD1-CD1 4.4Å; L1408-L1412 HydrophobicContact CG-CD1 4.05Å; L1408-L1412 WeakPolarHBondContact O-CB 3.03Å; L1408-L1412 WeakPolarHBondContact O-CG 3.45Å; L1408-L1412 PolarHBondContact O-N 3.31Å; L1408-L1428 HydrophobicContact CD1-CD2 4.3Å; L1408-L1428 HydrophobicContact CD2-CD2 4.45Å; L1408-I1432 HydrophobicContact CB-CD1 4.18Å; L1408-I1432 HydrophobicContact CD2-CD1 3.43Å; L1408-I1432 VanDerWaalsContact CD2-CD1 3.43Å; L1408-I1432 HydrophobicContact CD2-CG1 3.99Å; L1408-I1432 HydrophobicContact CG-CD1 3.53Å |
| 1409 | N | 83.1 | Confident | 75.2 | Confident | 42 Ų | 42 | 41.9 Ų | 41.9 | 23% | 0.225 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.7 | -38 | 175 | -163.8 | 12.6 | 0 | 0 | 0 | 111.7 | C1405 H1407 L1412 N1413 I1432 | C1405-N1409 VanDerWaalsContact O-CB 3.23Å; C1405-N1409 WeakPolarHBondContact O-CB 3.26Å; C1405-N1409 PolarHBondContact O-N 3.38Å; H1407-N1409 VanDerWaalsContact C-N 3.29Å; H1407-N1409 PolarHBondContact O-N 3.1Å; N1409-L1412 PolarHBondContact O-N 3.16Å; N1409-N1413 WeakPolarHBondContact O-CB 3.17Å; N1409-N1413 PolarHBondContact O-N 2.94Å; N1409-N1413 PolarHBondContact O-ND2 2.86Å; N1409-N1413 PolarHBondContact OD1-ND2 3.49Å; N1409-I1432 HydrophobicContact CB-CG2 4.47Å |
| 1410 | Y | 80.9 | Confident | 75.7 | Confident | 71 Ų | 71 | 44 Ų | 44 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.6 | -50.1 | 172.9 | -174.8 | -86.4 | 0 | 0 | 0 | 111.4 | Y1227 E1231 D1406 H1407 L1412 N1413 W1414 | Y1227-Y1410 AromaticContact CD1-CD1 3.18Å; Y1227-Y1410 HydrophobicContact CD1-CD1 3.18Å; Y1227-Y1410 AromaticContact CD1-CE1 3.23Å; Y1227-Y1410 HydrophobicContact CD1-CE1 3.23Å; Y1227-Y1410 AromaticContact CD1-CG 3.97Å; Y1227-Y1410 HydrophobicContact CD1-CG 3.97Å; Y1227-Y1410 HydrophobicContact CD2-CE1 4.36Å; Y1227-Y1410 AromaticContact CE1-CD1 3.4Å; Y1227-Y1410 HydrophobicContact CE1-CD1 3.4Å; Y1227-Y1410 VanDerWaalsContact CE1-CD1 3.4Å; Y1227-Y1410 HydrophobicContact CE1-CD2 4.43Å; Y1227-Y1410 AromaticContact CE1-CE1 3.88Å; Y1227-Y1410 HydrophobicContact CE1-CE1 3.88Å; Y1227-Y1410 AromaticContact CE1-CG 3.72Å; Y1227-Y1410 HydrophobicContact CE1-CG 3.72Å; Y1227-Y1410 AromaticContact CG-CD1 3.96Å; Y1227-Y1410 HydrophobicContact CG-CD1 3.96Å; Y1227-Y1410 AromaticContact CG-CE1 3.52Å; Y1227-Y1410 HydrophobicContact CG-CE1 3.52Å; Y1227-Y1410 AromaticContact CG-CZ 3.96Å; E1231-Y1410 PolarHBondContact OE1-OH 3.13Å; D1406-Y1410 PolarHBondContact O-N 2.85Å; H1407-Y1410 WeakPolarHBondContact O-CB 3.43Å; H1407-Y1410 PolarHBondContact O-N 2.9Å; H1407-Y1410 VanDerWaalsContact O-N 3.16Å; Y1410-L1412 PolarHBondContact O-N 3.18Å; Y1410-N1413 PolarHBondContact O-N 3.21Å; Y1410-W1414 AromaticContact CD1-CD1 3.54Å; Y1410-W1414 AromaticContact CD1-NE1 3.95Å; Y1410-W1414 AromaticContact CE1-CD1 3.18Å; Y1410-W1414 HydrophobicContact CE1-CG 4.38Å; Y1410-W1414 AromaticContact CE1-NE1 3.24Å; Y1410-W1414 AromaticContact CE2-CD1 3.95Å; Y1410-W1414 AromaticContact CE2-NE1 3.39Å; Y1410-W1414 AromaticContact CZ-CD1 3.44Å; Y1410-W1414 VanDerWaalsContact CZ-CD1 3.44Å; Y1410-W1414 AromaticContact CZ-NE1 2.93Å; Y1410-W1414 VanDerWaalsContact O-CD1 3.31Å; Y1410-W1414 PolarHBondContact O-N 3.3Å; Y1410-W1414 VanDerWaalsContact O-N 3.15Å; Y1410-W1414 PolarHBondContact OH-NE1 3.35Å |
| 1411 | F | 81.7 | Confident | 75.9 | Confident | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 179 | -59.2 | -44.7 | 0 | 0 | 0 | 112.1 | L1226 Y1227 S1230 I1273 F1276 H1407 L1408 W1414 A1415 | L1226-F1411 HydrophobicContact CD2-CE1 4.41Å; L1226-F1411 HydrophobicContact CD2-CE2 4.2Å; L1226-F1411 HydrophobicContact CD2-CZ 3.49Å; L1226-F1411 VanDerWaalsContact CD2-CZ 3.49Å; L1226-F1411 HydrophobicContact CG-CE1 4.08Å; L1226-F1411 HydrophobicContact CG-CZ 3.64Å; Y1227-F1411 HydrophobicContact CD1-CD1 4.3Å; Y1227-F1411 AromaticContact CD1-CE1 3.52Å; Y1227-F1411 HydrophobicContact CD1-CE1 3.52Å; Y1227-F1411 HydrophobicContact CD1-CZ 4.07Å; Y1227-F1411 AromaticContact CE1-CE1 3.88Å; Y1227-F1411 HydrophobicContact CE1-CE1 3.88Å; Y1227-F1411 HydrophobicContact CE1-CZ 4.04Å; S1230-F1411 WeakPolarHBondContact OG-CD1 3.46Å; I1273-F1411 HydrophobicContact CG1-CB 4.23Å; F1276-F1411 HydrophobicContact CD1-CE2 4.37Å; F1276-F1411 HydrophobicContact CD2-CE2 4.11Å; F1276-F1411 HydrophobicContact CE1-CE2 4.26Å; F1276-F1411 AromaticContact CE2-CE2 3.99Å; F1276-F1411 HydrophobicContact CE2-CE2 3.99Å; F1276-F1411 HydrophobicContact CG-CE2 4.31Å; F1276-F1411 HydrophobicContact CZ-CE2 4.08Å; H1407-F1411 HydrophobicContact CB-CE2 4.2Å; H1407-F1411 WeakPolarHBondContact O-CD2 3.49Å; H1407-F1411 WeakPolarHBondContact O-CG 3.43Å; H1407-F1411 PolarHBondContact O-N 3.42Å; L1408-F1411 PolarHBondContact O-N 3.14Å; F1411-W1414 PolarHBondContact O-N 3.24Å; F1411-A1415 WeakPolarHBondContact O-CB 3.43Å; F1411-A1415 PolarHBondContact O-N 2.83Å |
| 1412 | L | 81.7 | Confident | 76.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.3 | -40 | 178.7 | -78.5 | 165.1 | 0 | 0 | 0 | 112.8 | I1273 L1408 N1409 Y1410 A1415 L1416 W1425 L1428 R1429 I1432 | I1273-L1412 HydrophobicContact CD1-CD2 4.27Å; I1273-L1412 HydrophobicContact CG2-CD2 3.99Å; I1273-L1412 HydrophobicContact CG2-CG 4.34Å; L1408-L1412 HydrophobicContact CD1-CD1 4.4Å; L1408-L1412 HydrophobicContact CG-CD1 4.05Å; L1408-L1412 WeakPolarHBondContact O-CB 3.03Å; L1408-L1412 WeakPolarHBondContact O-CG 3.45Å; L1408-L1412 PolarHBondContact O-N 3.31Å; N1409-L1412 PolarHBondContact O-N 3.16Å; Y1410-L1412 PolarHBondContact O-N 3.18Å; L1412-A1415 PolarHBondContact O-N 3.41Å; L1412-L1416 VanDerWaalsContact O-CB 3.27Å; L1412-L1416 WeakPolarHBondContact O-CB 3.3Å; L1412-L1416 WeakPolarHBondContact O-CG 3.46Å; L1412-L1416 PolarHBondContact O-N 3.44Å; L1412-W1425 HydrophobicContact CD2-CB 3.66Å; L1412-W1425 HydrophobicContact CD2-CG 3.86Å; L1412-L1428 HydrophobicContact CD1-CB 4.3Å; L1412-L1428 HydrophobicContact CD1-CD2 3.93Å; L1412-L1428 HydrophobicContact CD1-CG 3.97Å; L1412-L1428 HydrophobicContact CD2-CD2 4.2Å; L1412-L1428 HydrophobicContact CG-CD2 4.49Å; L1412-R1429 HydrophobicContact CD1-CB 4.4Å; L1412-I1432 HydrophobicContact CD1-CD1 3.28Å |
| 1413 | N | 81.5 | Confident | 76.3 | Confident | 54 Ų | 54 | 43.3 Ų | 43.3 | 29% | 0.289 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.7 | -74.6 | -41.9 | 0 | 0 | 0 | 111.2 | N1409 Y1410 L1416 T1417 R1429 | N1409-N1413 WeakPolarHBondContact O-CB 3.17Å; N1409-N1413 PolarHBondContact O-N 2.94Å; N1409-N1413 PolarHBondContact O-ND2 2.86Å; N1409-N1413 PolarHBondContact OD1-ND2 3.49Å; Y1410-N1413 PolarHBondContact O-N 3.21Å; N1413-L1416 PolarHBondContact O-N 2.72Å; N1413-T1417 VanDerWaalsContact O-CG2 3.28Å; N1413-T1417 WeakPolarHBondContact O-CG2 3.24Å; N1413-T1417 PolarHBondContact O-N 3.23Å; N1413-R1429 VanDerWaalsContact OD1-CZ 3.3Å; N1413-R1429 PolarHBondContact OD1-NH1 3.24Å |
| 1414 | W | 75 | Confident | 76.4 | Confident | 103 Ų | 103 | 43.2 Ų | 43.2 | 39% | 0.39 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -43.1 | 174.5 | -79.3 | 111.2 | 0 | 0 | 0 | 112.6 | E1231 Y1410 F1411 L1416 T1417 V1418 | E1231-W1414 HydrophobicContact CG-CD2 4.15Å; E1231-W1414 HydrophobicContact CG-CG 4.31Å; Y1410-W1414 AromaticContact CD1-CD1 3.54Å; Y1410-W1414 AromaticContact CD1-NE1 3.95Å; Y1410-W1414 AromaticContact CE1-CD1 3.18Å; Y1410-W1414 HydrophobicContact CE1-CG 4.38Å; Y1410-W1414 AromaticContact CE1-NE1 3.24Å; Y1410-W1414 AromaticContact CE2-CD1 3.95Å; Y1410-W1414 AromaticContact CE2-NE1 3.39Å; Y1410-W1414 AromaticContact CZ-CD1 3.44Å; Y1410-W1414 VanDerWaalsContact CZ-CD1 3.44Å; Y1410-W1414 AromaticContact CZ-NE1 2.93Å; Y1410-W1414 VanDerWaalsContact O-CD1 3.31Å; Y1410-W1414 PolarHBondContact O-N 3.3Å; Y1410-W1414 VanDerWaalsContact O-N 3.15Å; Y1410-W1414 PolarHBondContact OH-NE1 3.35Å; F1411-W1414 PolarHBondContact O-N 3.24Å; W1414-L1416 VanDerWaalsContact C-N 3.34Å; W1414-L1416 PolarHBondContact O-N 2.88Å; W1414-T1417 WeakPolarHBondContact CA-OG1 3.36Å; W1414-T1417 PolarHBondContact O-N 3.03Å; W1414-T1417 PolarHBondContact O-OG1 3.45Å; W1414-V1418 PolarHBondContact O-N 3.32Å |
| 1415 | A | 73.8 | Confident | 76.6 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.7 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1269 I1273 F1411 L1412 T1417 V1418 Q1419 W1425 | L1269-A1415 HydrophobicContact CD2-CB 3.87Å; I1273-A1415 HydrophobicContact CD1-CB 4.05Å; F1411-A1415 WeakPolarHBondContact O-CB 3.43Å; F1411-A1415 PolarHBondContact O-N 2.83Å; L1412-A1415 PolarHBondContact O-N 3.41Å; A1415-T1417 PolarHBondContact O-N 2.76Å; A1415-V1418 PolarHBondContact O-N 3.48Å; A1415-Q1419 PolarHBondContact O-N 3.06Å; A1415-W1425 HydrophobicContact CB-CD2 3.96Å; A1415-W1425 HydrophobicContact CB-CE3 3.55Å; A1415-W1425 HydrophobicContact CB-CH2 3.66Å; A1415-W1425 HydrophobicContact CB-CZ2 4.01Å; A1415-W1425 HydrophobicContact CB-CZ3 3.43Å; A1415-W1425 VanDerWaalsContact CB-CZ3 3.43Å; A1415-W1425 VanDerWaalsContact O-CZ3 3.3Å; A1415-W1425 WeakPolarHBondContact O-CZ3 3.24Å |
| 1416 | L | 78 | Confident | 76.9 | Confident | 14 Ų | 14 | 43.3 Ų | 43.3 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71 | -25.2 | 177.4 | -70.3 | 169.5 | 0 | 0 | 0 | 113.4 | L1412 N1413 W1414 V1418 Q1419 P1420 W1425 L1426 R1429 | L1412-L1416 VanDerWaalsContact O-CB 3.27Å; L1412-L1416 WeakPolarHBondContact O-CB 3.3Å; L1412-L1416 WeakPolarHBondContact O-CG 3.46Å; L1412-L1416 PolarHBondContact O-N 3.44Å; N1413-L1416 PolarHBondContact O-N 2.72Å; W1414-L1416 VanDerWaalsContact C-N 3.34Å; W1414-L1416 PolarHBondContact O-N 2.88Å; L1416-V1418 VanDerWaalsContact C-N 3.29Å; L1416-Q1419 CarbonylContact O-C 3.29Å; L1416-P1420 VanDerWaalsContact O-CA 3.3Å; L1416-P1420 WeakPolarHBondContact O-CA 3.44Å; L1416-W1425 HydrophobicContact CD2-CB 3.87Å; L1416-W1425 HydrophobicContact CD2-CE3 4.32Å; L1416-W1425 HydrophobicContact CG-CB 4.31Å; L1416-L1426 HydrophobicContact CD1-CD2 4.03Å; L1416-L1426 HydrophobicContact CD2-CD2 3.73Å; L1416-L1426 HydrophobicContact CD2-CG 3.89Å; L1416-R1429 HydrophobicContact CD1-CB 4.37Å; L1416-R1429 VanDerWaalsContact CD1-CD 3.5Å |
| 1417 | T | 76.1 | Confident | 77.1 | Confident | 98 Ų | 98 | 39.2 Ų | 39.2 | 60% | 0.601 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -67.7 | -29.8 | 171.8 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | N1413 W1414 A1415 | N1413-T1417 VanDerWaalsContact O-CG2 3.28Å; N1413-T1417 WeakPolarHBondContact O-CG2 3.24Å; N1413-T1417 PolarHBondContact O-N 3.23Å; W1414-T1417 WeakPolarHBondContact CA-OG1 3.36Å; W1414-T1417 PolarHBondContact O-N 3.03Å; W1414-T1417 PolarHBondContact O-OG1 3.45Å; A1415-T1417 PolarHBondContact O-N 2.76Å |
| 1418 | V | 67.4 | Low | 77.2 | Confident | 32 Ų | 32 | 38.4 Ų | 38.4 | 19% | 0.194 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -86.2 | -48.4 | 177 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | A1234 E1238 W1414 A1415 L1416 | A1234-V1418 HydrophobicContact CB-CB 4.43Å; A1234-V1418 HydrophobicContact CB-CG2 3.89Å; E1238-V1418 HydrophobicContact CG-CG1 4.02Å; W1414-V1418 PolarHBondContact O-N 3.32Å; A1415-V1418 PolarHBondContact O-N 3.48Å; L1416-V1418 VanDerWaalsContact C-N 3.29Å |
| 1419 | Q | 69.3 | Low | 77.2 | Confident | 61 Ų | 61 | 40.8 Ų | 40.8 | 29% | 0.285 | 20% | 0.2 | S | C | . | . | trans | -126.7 | 84.7 | 179.5 | -166 | 177 | 10.2 | 0 | 0 | 111.7 | A1415 L1416 E1421 R1422 W1425 | A1415-Q1419 PolarHBondContact O-N 3.06Å; L1416-Q1419 CarbonylContact O-C 3.29Å; Q1419-E1421 PolarHBondContact O-N 3.4Å; Q1419-R1422 HydrophobicContact CG-CB 4.31Å; Q1419-W1425 HydrophobicContact CB-CZ3 4.12Å | ||
| 1420 | P | 71.9 | Confident | 77.2 | Confident | 65 Ų | 65 | 38.8 Ų | 38.8 | 42% | 0.422 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -21.3 | -178.9 | 26.7 | -34.2 | 0 | 0 | 0 | 113.2 | L1416 R1422 | L1416-P1420 VanDerWaalsContact O-CA 3.3Å; L1416-P1420 WeakPolarHBondContact O-CA 3.44Å; P1420-R1422 VanDerWaalsContact C-N 3.26Å; P1420-R1422 PolarHBondContact O-N 3.02Å |
| 1421 | E | 70.9 | Confident | 77.2 | Confident | 145 Ų | 145 | 35.7 Ų | 35.7 | 68% | 0.678 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -6.3 | -176.5 | -61.2 | -177.3 | 172.9 | 0 | 0 | 114 | Q1419 I1423 | Q1419-E1421 PolarHBondContact O-N 3.4Å; E1421-I1423 PolarHBondContact O-N 3.23Å |
| 1422 | R | 71.8 | Confident | 77.3 | Confident | 40 Ų | 40 | 35.7 Ų | 35.7 | 15% | 0.151 | 18% | 0.178 | C | C | . | . | trans | -79.1 | 108.7 | -173.9 | -169.8 | 179.9 | -82.2 | -159.6 | -11.9 | 111.8 | D1270 Q1419 P1420 D1424 W1425 L1426 | D1270-R1422 IonicContact OD1-CZ 2.63Å; D1270-R1422 IonicContact OD1-NH1 2.67Å; D1270-R1422 PolarHBondContact OD1-NH1 3.31Å; D1270-R1422 IonicContact OD2-CZ 3.01Å; D1270-R1422 IonicContact OD2-NH1 2.74Å; D1270-R1422 PolarHBondContact OD2-NH1 2.95Å; D1270-R1422 IonicContact OD2-NH2 3.72Å; Q1419-R1422 HydrophobicContact CG-CB 4.31Å; P1420-R1422 VanDerWaalsContact C-N 3.26Å; P1420-R1422 PolarHBondContact O-N 3.02Å; R1422-D1424 PolarHBondContact O-N 3.38Å; R1422-W1425 HydrophobicContact CB-CD2 4.25Å; R1422-W1425 HydrophobicContact CB-CE3 3.9Å; R1422-W1425 HydrophobicContact CB-CZ3 4.36Å; R1422-W1425 HydrophobicContact CG-CD2 4.15Å; R1422-W1425 HydrophobicContact CG-CE3 4.27Å; R1422-W1425 HydrophobicContact CG-CG 4.28Å; R1422-W1425 VanDerWaalsContact NH1-CE2 3.34Å; R1422-W1425 PolarHBondContact O-N 2.91Å; R1422-L1426 PolarHBondContact O-N 2.99Å | ||
| 1423 | I | 76.4 | Confident | 77.3 | Confident | 30 Ų | 30 | 36.2 Ų | 36.2 | 15% | 0.154 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.1 | -47.2 | -176.5 | -72.1 | 167.2 | 0 | 0 | 0 | 113.9 | V1295 F1299 E1421 W1425 L1426 I1427 F1449 V1453 | V1295-I1423 HydrophobicContact CG1-CG2 4.42Å; F1299-I1423 HydrophobicContact CE1-CD1 4.3Å; F1299-I1423 HydrophobicContact CE2-CD1 4.43Å; F1299-I1423 HydrophobicContact CE2-CG2 4.1Å; F1299-I1423 HydrophobicContact CZ-CD1 3.62Å; F1299-I1423 HydrophobicContact CZ-CG2 4.33Å; E1421-I1423 PolarHBondContact O-N 3.23Å; I1423-W1425 VanDerWaalsContact C-N 3.26Å; I1423-W1425 PolarHBondContact O-N 3.36Å; I1423-L1426 PolarHBondContact O-N 3.39Å; I1423-I1427 HydrophobicContact CG2-CD1 3.95Å; I1423-I1427 PolarHBondContact O-N 2.94Å; I1423-I1427 VanDerWaalsContact O-N 3.09Å; I1423-F1449 HydrophobicContact CB-CD2 4.34Å; I1423-F1449 HydrophobicContact CB-CE2 4.35Å; I1423-F1449 HydrophobicContact CG1-CD2 4.29Å; I1423-F1449 HydrophobicContact CG1-CE2 4.37Å; I1423-F1449 HydrophobicContact CG2-CD2 3.67Å; I1423-F1449 HydrophobicContact CG2-CE2 3.33Å; I1423-F1449 HydrophobicContact CG2-CZ 4.5Å; I1423-V1453 HydrophobicContact CD1-CG2 3.63Å; I1423-V1453 HydrophobicContact CG1-CG2 4.04Å |
| 1424 | D | 73.1 | Confident | 77.5 | Confident | 38 Ų | 38 | 34.9 Ų | 34.9 | 20% | 0.203 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -37 | -174.5 | -62 | -11.5 | 0 | 0 | 0 | 112 | L1292 R1422 L1428 | L1292-D1424 HydrophobicContact CD1-CB 4.12Å; R1422-D1424 PolarHBondContact O-N 3.38Å; D1424-L1428 WeakPolarHBondContact O-CB 3.48Å; D1424-L1428 PolarHBondContact O-N 3.41Å; D1424-L1428 VanDerWaalsContact O-N 3.16Å |
| 1425 | W | 81 | Confident | 77.7 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.3 | -37.2 | 178.5 | -68 | -6.7 | 0 | 0 | 0 | 112.6 | L1266 L1269 D1270 I1273 L1412 A1415 L1416 Q1419 R1422 I1423 L1428 R1429 | L1266-W1425 HydrophobicContact CD2-CH2 3.71Å; L1266-W1425 HydrophobicContact CD2-CZ3 4.49Å; L1269-W1425 HydrophobicContact CD2-CH2 3.94Å; L1269-W1425 HydrophobicContact CD2-CZ2 4.03Å; L1269-W1425 HydrophobicContact CG-CZ2 4.3Å; D1270-W1425 WeakPolarHBondContact OD1-CZ2 3.23Å; D1270-W1425 PolarHBondContact OD1-NE1 3.41Å; I1273-W1425 HydrophobicContact CD1-CD2 4.46Å; I1273-W1425 HydrophobicContact CD1-CZ2 4.1Å; L1412-W1425 HydrophobicContact CD2-CB 3.66Å; L1412-W1425 HydrophobicContact CD2-CG 3.86Å; A1415-W1425 HydrophobicContact CB-CD2 3.96Å; A1415-W1425 HydrophobicContact CB-CE3 3.55Å; A1415-W1425 HydrophobicContact CB-CH2 3.66Å; A1415-W1425 HydrophobicContact CB-CZ2 4.01Å; A1415-W1425 HydrophobicContact CB-CZ3 3.43Å; A1415-W1425 VanDerWaalsContact CB-CZ3 3.43Å; A1415-W1425 VanDerWaalsContact O-CZ3 3.3Å; A1415-W1425 WeakPolarHBondContact O-CZ3 3.24Å; L1416-W1425 HydrophobicContact CD2-CB 3.87Å; L1416-W1425 HydrophobicContact CD2-CE3 4.32Å; L1416-W1425 HydrophobicContact CG-CB 4.31Å; Q1419-W1425 HydrophobicContact CB-CZ3 4.12Å; R1422-W1425 HydrophobicContact CB-CD2 4.25Å; R1422-W1425 HydrophobicContact CB-CE3 3.9Å; R1422-W1425 HydrophobicContact CB-CZ3 4.36Å; R1422-W1425 HydrophobicContact CG-CD2 4.15Å; R1422-W1425 HydrophobicContact CG-CE3 4.27Å; R1422-W1425 HydrophobicContact CG-CG 4.28Å; R1422-W1425 VanDerWaalsContact NH1-CE2 3.34Å; R1422-W1425 PolarHBondContact O-N 2.91Å; I1423-W1425 VanDerWaalsContact C-N 3.26Å; I1423-W1425 PolarHBondContact O-N 3.36Å; W1425-L1428 PolarHBondContact O-N 3.22Å; W1425-R1429 WeakPolarHBondContact O-CB 3.32Å; W1425-R1429 PolarHBondContact O-N 3.39Å |
| 1426 | L | 82.4 | Confident | 78.2 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.6 | -43.8 | 175.8 | -71.1 | 171.2 | 0 | 0 | 0 | 111.4 | L1416 R1422 I1423 L1428 R1429 G1430 T1445 E1448 F1449 I1452 | L1416-L1426 HydrophobicContact CD1-CD2 4.03Å; L1416-L1426 HydrophobicContact CD2-CD2 3.73Å; L1416-L1426 HydrophobicContact CD2-CG 3.89Å; R1422-L1426 PolarHBondContact O-N 2.99Å; I1423-L1426 PolarHBondContact O-N 3.39Å; L1426-L1428 VanDerWaalsContact C-N 3.33Å; L1426-L1428 PolarHBondContact O-N 3.35Å; L1426-R1429 PolarHBondContact O-N 3.22Å; L1426-G1430 PolarHBondContact O-N 3.12Å; L1426-T1445 HydrophobicContact CB-CG2 4.29Å; L1426-T1445 HydrophobicContact CD2-CG2 4.13Å; L1426-T1445 WeakPolarHBondContact O-CG2 3.41Å; L1426-E1448 HydrophobicContact CD1-CG 4.39Å; L1426-E1448 HydrophobicContact CD2-CG 4.34Å; L1426-F1449 HydrophobicContact CB-CB 4.29Å; L1426-I1452 HydrophobicContact CD1-CD1 3.32Å |
| 1427 | I | 82.6 | Confident | 78.5 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 176.1 | -67.5 | 167.8 | 0 | 0 | 0 | 110.5 | I1291 L1292 V1295 I1423 R1429 G1430 E1431 F1449 | I1291-I1427 HydrophobicContact CB-CG2 4.39Å; I1291-I1427 HydrophobicContact CG2-CG2 3.85Å; L1292-I1427 HydrophobicContact CD1-CG2 4.42Å; V1295-I1427 HydrophobicContact CB-CD1 3.84Å; V1295-I1427 HydrophobicContact CG1-CD1 3.58Å; V1295-I1427 HydrophobicContact CG2-CD1 3.87Å; I1423-I1427 HydrophobicContact CG2-CD1 3.95Å; I1423-I1427 PolarHBondContact O-N 2.94Å; I1423-I1427 VanDerWaalsContact O-N 3.09Å; I1427-R1429 VanDerWaalsContact C-N 3.33Å; I1427-R1429 PolarHBondContact O-N 3.36Å; I1427-G1430 PolarHBondContact O-N 2.88Å; I1427-E1431 PolarHBondContact O-N 3Å; I1427-F1449 HydrophobicContact CD1-CD2 4.06Å; I1427-F1449 HydrophobicContact CD1-CE2 3.73Å; I1427-F1449 HydrophobicContact CD1-CZ 3.95Å; I1427-F1449 HydrophobicContact CG1-CD1 4.49Å; I1427-F1449 HydrophobicContact CG1-CD2 3.98Å; I1427-F1449 HydrophobicContact CG1-CE2 4.15Å; I1427-F1449 HydrophobicContact CG1-CG 4.15Å; I1427-F1449 HydrophobicContact CG1-CZ 4.44Å |
| 1428 | L | 80.8 | Confident | 78.9 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -40.6 | 178.5 | -170.6 | 66.1 | 0 | 0 | 0 | 111.8 | I1273 A1277 F1287 L1289 L1408 L1412 D1424 W1425 L1426 E1431 I1432 | I1273-L1428 HydrophobicContact CG2-CD2 3.42Å; I1273-L1428 VanDerWaalsContact CG2-CD2 3.42Å; A1277-L1428 HydrophobicContact CB-CD1 3.91Å; A1277-L1428 HydrophobicContact CB-CD2 4.08Å; F1287-L1428 HydrophobicContact CE1-CD1 4.34Å; F1287-L1428 HydrophobicContact CZ-CD1 3.79Å; L1289-L1428 HydrophobicContact CD2-CD1 3.95Å; L1408-L1428 HydrophobicContact CD1-CD2 4.3Å; L1408-L1428 HydrophobicContact CD2-CD2 4.45Å; L1412-L1428 HydrophobicContact CD1-CB 4.3Å; L1412-L1428 HydrophobicContact CD1-CD2 3.93Å; L1412-L1428 HydrophobicContact CD1-CG 3.97Å; L1412-L1428 HydrophobicContact CD2-CD2 4.2Å; L1412-L1428 HydrophobicContact CG-CD2 4.49Å; D1424-L1428 WeakPolarHBondContact O-CB 3.48Å; D1424-L1428 PolarHBondContact O-N 3.41Å; D1424-L1428 VanDerWaalsContact O-N 3.16Å; W1425-L1428 PolarHBondContact O-N 3.22Å; L1426-L1428 VanDerWaalsContact C-N 3.33Å; L1426-L1428 PolarHBondContact O-N 3.35Å; L1428-E1431 PolarHBondContact O-N 3.29Å; L1428-I1432 HydrophobicContact CG-CD1 4.39Å; L1428-I1432 VanDerWaalsContact O-CG1 3.28Å; L1428-I1432 WeakPolarHBondContact O-CG1 3.29Å; L1428-I1432 PolarHBondContact O-N 2.97Å |
| 1429 | R | 82.9 | Confident | 79.8 | Confident | 49 Ų | 49 | 42.2 Ų | 42.2 | 19% | 0.185 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 173.3 | 179.1 | 174.4 | 175.7 | 179.1 | -0.7 | 111.6 | L1412 N1413 L1416 W1425 L1426 I1427 E1431 I1432 E1433 T1445 | L1412-R1429 HydrophobicContact CD1-CB 4.4Å; N1413-R1429 VanDerWaalsContact OD1-CZ 3.3Å; N1413-R1429 PolarHBondContact OD1-NH1 3.24Å; L1416-R1429 HydrophobicContact CD1-CB 4.37Å; L1416-R1429 VanDerWaalsContact CD1-CD 3.5Å; W1425-R1429 WeakPolarHBondContact O-CB 3.32Å; W1425-R1429 PolarHBondContact O-N 3.39Å; L1426-R1429 PolarHBondContact O-N 3.22Å; I1427-R1429 VanDerWaalsContact C-N 3.33Å; I1427-R1429 PolarHBondContact O-N 3.36Å; R1429-E1431 PolarHBondContact O-N 3.2Å; R1429-I1432 PolarHBondContact O-N 2.92Å; R1429-E1433 HydrophobicContact CG-CG 4.38Å; R1429-E1433 WeakPolarHBondContact CG-OE1 3.44Å; R1429-E1433 IonicContact CZ-OE1 3.38Å; R1429-E1433 IonicContact NE-OE1 2.82Å; R1429-E1433 PolarHBondContact NE-OE1 2.96Å; R1429-E1433 IonicContact NH2-OE1 3.41Å; R1429-E1433 WeakPolarHBondContact O-CG 3.49Å; R1429-E1433 PolarHBondContact O-N 3.38Å; R1429-T1445 HydrophobicContact CB-CG2 4.1Å; R1429-T1445 HydrophobicContact CG-CG2 4.1Å |
| 1430 | G | 81.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.9 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1426 I1427 E1433 F1434 Y1446 | L1426-G1430 PolarHBondContact O-N 3.12Å; I1427-G1430 PolarHBondContact O-N 2.88Å; G1430-E1433 PolarHBondContact O-N 3.24Å; G1430-F1434 WeakPolarHBondContact O-CB 3.39Å; G1430-F1434 PolarHBondContact O-N 3.47Å; G1430-Y1446 PolarHBondContact O-OH 3.36Å |
| 1431 | E | 82.7 | Confident | 81.3 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.7 | -38.1 | 175.5 | -76 | -57.5 | 107.4 | 0 | 0 | 113 | F1287 I1291 I1427 L1428 R1429 F1434 F1435 Y1446 R1473 | F1287-E1431 HydrophobicContact CE2-CB 3.91Å; F1287-E1431 HydrophobicContact CZ-CB 4.38Å; I1291-E1431 WeakPolarHBondContact CD1-OE1 3.19Å; I1427-E1431 PolarHBondContact O-N 3Å; L1428-E1431 PolarHBondContact O-N 3.29Å; R1429-E1431 PolarHBondContact O-N 3.2Å; E1431-F1434 PolarHBondContact O-N 2.9Å; E1431-F1435 VanDerWaalsContact O-CB 3.31Å; E1431-F1435 WeakPolarHBondContact O-CB 3.2Å; E1431-F1435 PolarHBondContact O-N 3.3Å; E1431-Y1446 PolarHBondContact OE1-OH 3.5Å; E1431-R1473 IonicContact OE1-NE 2.78Å; E1431-R1473 IonicContact OE2-CZ 2.97Å; E1431-R1473 IonicContact OE2-NE 3.81Å; E1431-R1473 PolarHBondContact OE2-NE 3.2Å; E1431-R1473 IonicContact OE2-NH2 3.78Å; E1431-R1473 PolarHBondContact OE2-NH2 2.9Å |
| 1432 | I | 82.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -46.8 | 175.5 | -66.8 | 162.2 | 0 | 0 | 0 | 109.9 | F1287 C1405 L1408 N1409 L1412 L1428 R1429 F1434 F1435 V1436 | F1287-I1432 HydrophobicContact CE2-CG1 3.83Å; F1287-I1432 HydrophobicContact CZ-CG1 4.13Å; C1405-I1432 HydrophobicContact CB-CG2 4.32Å; L1408-I1432 HydrophobicContact CB-CD1 4.18Å; L1408-I1432 HydrophobicContact CD2-CD1 3.43Å; L1408-I1432 VanDerWaalsContact CD2-CD1 3.43Å; L1408-I1432 HydrophobicContact CD2-CG1 3.99Å; L1408-I1432 HydrophobicContact CG-CD1 3.53Å; N1409-I1432 HydrophobicContact CB-CG2 4.47Å; L1412-I1432 HydrophobicContact CD1-CD1 3.28Å; L1428-I1432 HydrophobicContact CG-CD1 4.39Å; L1428-I1432 VanDerWaalsContact O-CG1 3.28Å; L1428-I1432 WeakPolarHBondContact O-CG1 3.29Å; L1428-I1432 PolarHBondContact O-N 2.97Å; R1429-I1432 PolarHBondContact O-N 2.92Å; I1432-F1434 VanDerWaalsContact C-N 3.32Å; I1432-F1434 PolarHBondContact O-N 2.96Å; I1432-F1435 PolarHBondContact O-N 3.27Å; I1432-V1436 HydrophobicContact CG2-CG2 4.23Å; I1432-V1436 WeakPolarHBondContact O-CB 3.47Å; I1432-V1436 VanDerWaalsContact O-CG2 3.24Å; I1432-V1436 WeakPolarHBondContact O-CG2 3.31Å; I1432-V1436 PolarHBondContact O-N 3.14Å |
| 1433 | E | 82.3 | Confident | 82.8 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.7 | -37 | -179.9 | -69.2 | 178.2 | -179.2 | 0 | 0 | 111.5 | R1429 G1430 V1436 K1437 N1438 Q1441 A1442 T1445 | R1429-E1433 HydrophobicContact CG-CG 4.38Å; R1429-E1433 WeakPolarHBondContact CG-OE1 3.44Å; R1429-E1433 IonicContact CZ-OE1 3.38Å; R1429-E1433 IonicContact NE-OE1 2.82Å; R1429-E1433 PolarHBondContact NE-OE1 2.96Å; R1429-E1433 IonicContact NH2-OE1 3.41Å; R1429-E1433 WeakPolarHBondContact O-CG 3.49Å; R1429-E1433 PolarHBondContact O-N 3.38Å; G1430-E1433 PolarHBondContact O-N 3.24Å; E1433-V1436 PolarHBondContact O-N 2.91Å; E1433-K1437 PolarHBondContact O-N 3.33Å; E1433-N1438 PolarHBondContact O-N 3.49Å; E1433-Q1441 VanDerWaalsContact CD-CG 3.4Å; E1433-Q1441 HydrophobicContact CG-CB 4.46Å; E1433-Q1441 HydrophobicContact CG-CG 4.35Å; E1433-Q1441 WeakPolarHBondContact OE1-CG 3.2Å; E1433-Q1441 PolarHBondContact OE1-NE2 3.39Å; E1433-Q1441 WeakPolarHBondContact OE2-CA 3.45Å; E1433-Q1441 WeakPolarHBondContact OE2-CB 3.02Å; E1433-Q1441 WeakPolarHBondContact OE2-CG 3.25Å; E1433-Q1441 PolarHBondContact OE2-NE2 3.23Å; E1433-Q1441 VanDerWaalsContact OE2-NE2 3.16Å; E1433-A1442 HydrophobicContact CB-CB 3.87Å; E1433-A1442 PolarHBondContact OE2-N 2.84Å; E1433-A1442 VanDerWaalsContact OE2-N 3.1Å; E1433-T1445 PolarHBondContact OE2-OG1 3.42Å |
| 1434 | F | 84.6 | Confident | 83.4 | Confident | 26 Ų | 26 | 37.2 Ų | 37.2 | 11% | 0.114 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.8 | -45.7 | 171.6 | -173.5 | -93.3 | 0 | 0 | 0 | 111.4 | G1430 E1431 I1432 K1437 Y1439 A1442 R1473 C1476 C1477 | G1430-F1434 WeakPolarHBondContact O-CB 3.39Å; G1430-F1434 PolarHBondContact O-N 3.47Å; E1431-F1434 PolarHBondContact O-N 2.9Å; I1432-F1434 VanDerWaalsContact C-N 3.32Å; I1432-F1434 PolarHBondContact O-N 2.96Å; F1434-K1437 WeakPolarHBondContact O-CA 3.42Å; F1434-K1437 PolarHBondContact O-N 3.21Å; F1434-K1437 VanDerWaalsContact O-N 3.07Å; F1434-Y1439 HydrophobicContact CD2-CD1 4.06Å; F1434-Y1439 HydrophobicContact CD2-CE1 4.23Å; F1434-Y1439 HydrophobicContact CE2-CD1 4.08Å; F1434-Y1439 HydrophobicContact CE2-CE1 4.04Å; F1434-Y1439 HydrophobicContact CZ-CE1 4.43Å; F1434-A1442 HydrophobicContact CB-CB 4.14Å; F1434-R1473 VanDerWaalsContact CE1-NH1 3.31Å; F1434-R1473 HydrophobicContact CE2-CB 4.47Å; F1434-C1476 HydrophobicContact CE2-CB 3.99Å; F1434-C1476 HydrophobicContact CZ-CB 4.04Å; F1434-C1477 WeakPolarHBondContact CD2-SG 3.47Å |
| 1435 | F | 81.2 | Confident | 84 | Confident | 57 Ų | 57 | 35.4 Ų | 35.4 | 25% | 0.25 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 178.4 | 177.2 | -99.6 | 0 | 0 | 0 | 113 | N1284 K1286 F1287 E1431 I1432 K1437 | N1284-F1435 HydrophobicContact CB-CE2 4.46Å; N1284-F1435 HydrophobicContact CB-CZ 4.2Å; N1284-F1435 VanDerWaalsContact ND2-CZ 3.31Å; N1284-F1435 WeakPolarHBondContact ND2-CZ 3.42Å; K1286-F1435 HydrophobicContact CB-CD2 4.28Å; K1286-F1435 HydrophobicContact CB-CE2 3.86Å; F1287-F1435 HydrophobicContact CB-CD2 4.4Å; F1287-F1435 HydrophobicContact CD2-CB 4.17Å; F1287-F1435 HydrophobicContact CD2-CG 4.37Å; E1431-F1435 VanDerWaalsContact O-CB 3.31Å; E1431-F1435 WeakPolarHBondContact O-CB 3.2Å; E1431-F1435 PolarHBondContact O-N 3.3Å; I1432-F1435 PolarHBondContact O-N 3.27Å; F1435-K1437 PolarHBondContact O-N 3.17Å; F1435-K1437 VanDerWaalsContact O-N 3.13Å |
| 1436 | V | 82.8 | Confident | 84.3 | Confident | 73 Ų | 73 | 35.2 Ų | 35.2 | 44% | 0.442 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -3.8 | 174.2 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | I1432 E1433 N1438 | I1432-V1436 HydrophobicContact CG2-CG2 4.23Å; I1432-V1436 WeakPolarHBondContact O-CB 3.47Å; I1432-V1436 VanDerWaalsContact O-CG2 3.24Å; I1432-V1436 WeakPolarHBondContact O-CG2 3.31Å; I1432-V1436 PolarHBondContact O-N 3.14Å; E1433-V1436 PolarHBondContact O-N 2.91Å; V1436-N1438 VanDerWaalsContact C-N 3.26Å; V1436-N1438 PolarHBondContact O-N 3.15Å |
| 1437 | K | 83.9 | Confident | 84.5 | Confident | 153 Ų | 153 | 35.1 Ų | 35.1 | 67% | 0.665 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 26.6 | -176.6 | -51.5 | -177.3 | 178.1 | -176 | 0 | 113.4 | E1433 F1434 F1435 Y1439 | E1433-K1437 PolarHBondContact O-N 3.33Å; F1434-K1437 WeakPolarHBondContact O-CA 3.42Å; F1434-K1437 PolarHBondContact O-N 3.21Å; F1434-K1437 VanDerWaalsContact O-N 3.07Å; F1435-K1437 PolarHBondContact O-N 3.17Å; F1435-K1437 VanDerWaalsContact O-N 3.13Å; K1437-Y1439 VanDerWaalsContact C-N 3.34Å; K1437-Y1439 HydrophobicContact CB-CE2 4.07Å; K1437-Y1439 PolarHBondContact O-N 3.29Å |
| 1438 | N | 84.8 | Confident | 84.6 | Confident | 78 Ų | 78 | 38 Ų | 38 | 42% | 0.417 | 17% | 0.173 | S | C | . | . | trans | -92.7 | 69.6 | 171.3 | -165.9 | 1.2 | 0 | 0 | 0 | 110.1 | E1433 V1436 R1440 Q1441 A1442 | E1433-N1438 PolarHBondContact O-N 3.49Å; V1436-N1438 VanDerWaalsContact C-N 3.26Å; V1436-N1438 PolarHBondContact O-N 3.15Å; N1438-R1440 VanDerWaalsContact C-N 3.27Å; N1438-R1440 PolarHBondContact O-N 2.68Å; N1438-Q1441 HydrophobicContact CB-CB 4.25Å; N1438-Q1441 VanDerWaalsContact CG-CB 3.47Å; N1438-Q1441 VanDerWaalsContact ND2-CB 3.3Å; N1438-Q1441 WeakPolarHBondContact ND2-CB 3.32Å; N1438-Q1441 PolarHBondContact O-N 3.48Å; N1438-A1442 PolarHBondContact O-N 3.3Å | ||
| 1439 | Y | 87.5 | Confident | 84.8 | Confident | 41 Ų | 41 | 37.7 Ų | 37.7 | 16% | 0.161 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.6 | -31.6 | -170.7 | -56.9 | -63.4 | 0 | 0 | 0 | 114.2 | F1434 K1437 L1443 Y1480 | F1434-Y1439 HydrophobicContact CD2-CD1 4.06Å; F1434-Y1439 HydrophobicContact CD2-CE1 4.23Å; F1434-Y1439 HydrophobicContact CE2-CD1 4.08Å; F1434-Y1439 HydrophobicContact CE2-CE1 4.04Å; F1434-Y1439 HydrophobicContact CZ-CE1 4.43Å; K1437-Y1439 VanDerWaalsContact C-N 3.34Å; K1437-Y1439 HydrophobicContact CB-CE2 4.07Å; K1437-Y1439 PolarHBondContact O-N 3.29Å; Y1439-L1443 WeakPolarHBondContact O-CB 3.5Å; Y1439-L1443 PolarHBondContact O-N 3.22Å; Y1439-Y1480 AromaticContact CD1-CD2 3.93Å; Y1439-Y1480 HydrophobicContact CD1-CD2 3.93Å; Y1439-Y1480 HydrophobicContact CD1-CG 4.48Å; Y1439-Y1480 VanDerWaalsContact CD2-CB 3.49Å; Y1439-Y1480 HydrophobicContact CD2-CD2 4.39Å; Y1439-Y1480 HydrophobicContact CD2-CG 4.14Å; Y1439-Y1480 AromaticContact CE1-CD2 3.44Å; Y1439-Y1480 HydrophobicContact CE1-CD2 3.44Å; Y1439-Y1480 VanDerWaalsContact CE1-CD2 3.44Å; Y1439-Y1480 AromaticContact CE1-CE2 3.98Å; Y1439-Y1480 HydrophobicContact CE1-CE2 3.98Å; Y1439-Y1480 HydrophobicContact CE1-CG 4.09Å; Y1439-Y1480 HydrophobicContact CE2-CD1 4.35Å; Y1439-Y1480 AromaticContact CE2-CD2 3.96Å; Y1439-Y1480 HydrophobicContact CE2-CD2 3.96Å; Y1439-Y1480 AromaticContact CE2-CG 3.71Å; Y1439-Y1480 HydrophobicContact CE2-CG 3.71Å; Y1439-Y1480 HydrophobicContact CG-CD2 4.38Å; Y1439-Y1480 AromaticContact CZ-CD2 3.45Å; Y1439-Y1480 VanDerWaalsContact CZ-CD2 3.45Å; Y1439-Y1480 AromaticContact CZ-CE2 3.99Å; Y1439-Y1480 AromaticContact CZ-CG 3.67Å |
| 1440 | R | 87.1 | Confident | 84.6 | Confident | 155 Ų | 155 | 35.4 Ų | 35.4 | 59% | 0.585 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -67.7 | -44.1 | 177.9 | -176.4 | 175.6 | -178.5 | 177 | 0.8 | 111.7 | N1438 S1444 L1481 Y1633 | N1438-R1440 VanDerWaalsContact C-N 3.27Å; N1438-R1440 PolarHBondContact O-N 2.68Å; R1440-S1444 PolarHBondContact O-N 3.49Å; R1440-L1481 HydrophobicContact CB-CD2 4.26Å; R1440-Y1633 HydrophobicContact CG-CD1 4.19Å; R1440-Y1633 HydrophobicContact CG-CE1 4.26Å |
| 1441 | Q | 85.3 | Confident | 84.6 | Confident | 62 Ų | 62 | 36.7 Ų | 36.7 | 29% | 0.29 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -69.3 | -44.8 | -179.8 | -152.1 | 12.8 | 77.7 | 0 | 0 | 109 | E1433 N1438 L1443 S1444 T1445 | E1433-Q1441 VanDerWaalsContact CD-CG 3.4Å; E1433-Q1441 HydrophobicContact CG-CB 4.46Å; E1433-Q1441 HydrophobicContact CG-CG 4.35Å; E1433-Q1441 WeakPolarHBondContact OE1-CG 3.2Å; E1433-Q1441 PolarHBondContact OE1-NE2 3.39Å; E1433-Q1441 WeakPolarHBondContact OE2-CA 3.45Å; E1433-Q1441 WeakPolarHBondContact OE2-CB 3.02Å; E1433-Q1441 WeakPolarHBondContact OE2-CG 3.25Å; E1433-Q1441 PolarHBondContact OE2-NE2 3.23Å; E1433-Q1441 VanDerWaalsContact OE2-NE2 3.16Å; N1438-Q1441 HydrophobicContact CB-CB 4.25Å; N1438-Q1441 VanDerWaalsContact CG-CB 3.47Å; N1438-Q1441 VanDerWaalsContact ND2-CB 3.3Å; N1438-Q1441 WeakPolarHBondContact ND2-CB 3.32Å; N1438-Q1441 PolarHBondContact O-N 3.48Å; Q1441-L1443 VanDerWaalsContact C-N 3.32Å; Q1441-L1443 PolarHBondContact O-N 3.41Å; Q1441-S1444 WeakPolarHBondContact O-CA 3.1Å; Q1441-S1444 WeakPolarHBondContact O-CB 3.29Å; Q1441-S1444 PolarHBondContact O-N 3.12Å; Q1441-T1445 PolarHBondContact NE2-OG1 3.04Å; Q1441-T1445 PolarHBondContact O-N 3.22Å; Q1441-T1445 PolarHBondContact O-OG1 3.22Å |
| 1442 | A | 86.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.3 | -45.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1433 F1434 N1438 T1445 Y1446 | E1433-A1442 HydrophobicContact CB-CB 3.87Å; E1433-A1442 PolarHBondContact OE2-N 2.84Å; E1433-A1442 VanDerWaalsContact OE2-N 3.1Å; F1434-A1442 HydrophobicContact CB-CB 4.14Å; N1438-A1442 PolarHBondContact O-N 3.3Å; A1442-T1445 PolarHBondContact O-N 2.77Å; A1442-Y1446 HydrophobicContact CB-CE2 4.28Å; A1442-Y1446 WeakPolarHBondContact O-CD2 3.27Å; A1442-Y1446 PolarHBondContact O-N 2.91Å |
| 1443 | L | 87.9 | Confident | 84 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 175.4 | -175.1 | 67 | 0 | 0 | 0 | 111.9 | Y1439 Q1441 Y1446 L1447 M1474 C1477 L1478 L1481 L1629 Y1633 | Y1439-L1443 WeakPolarHBondContact O-CB 3.5Å; Y1439-L1443 PolarHBondContact O-N 3.22Å; Q1441-L1443 VanDerWaalsContact C-N 3.32Å; Q1441-L1443 PolarHBondContact O-N 3.41Å; L1443-Y1446 PolarHBondContact O-N 3.07Å; L1443-L1447 HydrophobicContact CG-CD1 4.23Å; L1443-L1447 VanDerWaalsContact O-CG 3.25Å; L1443-L1447 WeakPolarHBondContact O-CG 3.5Å; L1443-L1447 PolarHBondContact O-N 3.32Å; L1443-M1474 HydrophobicContact CD1-CB 4.16Å; L1443-M1474 HydrophobicContact CD1-CE 3.85Å; L1443-M1474 HydrophobicContact CD1-CG 4.17Å; L1443-C1477 HydrophobicContact CB-CB 4.37Å; L1443-L1478 HydrophobicContact CD2-CD2 3.55Å; L1443-L1478 HydrophobicContact CD2-CG 4.24Å; L1443-L1481 HydrophobicContact CD2-CD1 4.45Å; L1443-L1629 HydrophobicContact CD1-CD2 4.25Å; L1443-L1629 HydrophobicContact CD2-CD2 4.36Å; L1443-L1629 HydrophobicContact CG-CD2 4.38Å; L1443-Y1633 HydrophobicContact CD2-CD1 4.25Å; L1443-Y1633 HydrophobicContact CD2-CD2 3.85Å; L1443-Y1633 HydrophobicContact CD2-CE1 3.95Å; L1443-Y1633 HydrophobicContact CD2-CE2 3.53Å; L1443-Y1633 HydrophobicContact CD2-CG 4.2Å |
| 1444 | S | 89.3 | Confident | 83.6 | Confident | 18 Ų | 18 | 38.7 Ų | 38.7 | 13% | 0.126 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 175.8 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | R1440 Q1441 Y1446 L1447 E1448 Y1633 L1634 | R1440-S1444 PolarHBondContact O-N 3.49Å; Q1441-S1444 WeakPolarHBondContact O-CA 3.1Å; Q1441-S1444 WeakPolarHBondContact O-CB 3.29Å; Q1441-S1444 PolarHBondContact O-N 3.12Å; S1444-Y1446 PolarHBondContact O-N 3.13Å; S1444-L1447 WeakPolarHBondContact O-CB 3.49Å; S1444-L1447 PolarHBondContact O-N 2.87Å; S1444-L1447 VanDerWaalsContact O-N 3.16Å; S1444-E1448 PolarHBondContact O-N 3.48Å; S1444-Y1633 PolarHBondContact OG-O 3.39Å; S1444-L1634 WeakPolarHBondContact O-CD2 3.44Å |
| 1445 | T | 85.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -37.6 | 177.7 | -58.8 | 0 | 0 | 0 | 0 | 113 | L1426 R1429 E1433 Q1441 A1442 L1447 E1448 F1449 | L1426-T1445 HydrophobicContact CB-CG2 4.29Å; L1426-T1445 HydrophobicContact CD2-CG2 4.13Å; L1426-T1445 WeakPolarHBondContact O-CG2 3.41Å; R1429-T1445 HydrophobicContact CB-CG2 4.1Å; R1429-T1445 HydrophobicContact CG-CG2 4.1Å; E1433-T1445 PolarHBondContact OE2-OG1 3.42Å; Q1441-T1445 PolarHBondContact NE2-OG1 3.04Å; Q1441-T1445 PolarHBondContact O-N 3.22Å; Q1441-T1445 PolarHBondContact O-OG1 3.22Å; A1442-T1445 PolarHBondContact O-N 2.77Å; T1445-L1447 VanDerWaalsContact C-N 3.3Å; T1445-L1447 PolarHBondContact O-N 3.45Å; T1445-E1448 PolarHBondContact O-N 3.26Å; T1445-F1449 PolarHBondContact O-N 2.86Å |
| 1446 | Y | 86.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.7 | -32.6 | 173.4 | -63.4 | -39.4 | 0 | 0 | 0 | 112.6 | G1430 E1431 A1442 L1443 S1444 F1449 G1450 L1470 R1473 M1474 | G1430-Y1446 PolarHBondContact O-OH 3.36Å; E1431-Y1446 PolarHBondContact OE1-OH 3.5Å; A1442-Y1446 HydrophobicContact CB-CE2 4.28Å; A1442-Y1446 WeakPolarHBondContact O-CD2 3.27Å; A1442-Y1446 PolarHBondContact O-N 2.91Å; L1443-Y1446 PolarHBondContact O-N 3.07Å; S1444-Y1446 PolarHBondContact O-N 3.13Å; Y1446-F1449 WeakPolarHBondContact O-CB 3.41Å; Y1446-G1450 PolarHBondContact O-N 2.86Å; Y1446-L1470 HydrophobicContact CD1-CD1 3.39Å; Y1446-L1470 HydrophobicContact CD2-CD1 4.23Å; Y1446-L1470 HydrophobicContact CE1-CD1 3.51Å; Y1446-L1470 HydrophobicContact CE2-CD1 4.35Å; Y1446-L1470 HydrophobicContact CG-CD1 3.77Å; Y1446-R1473 HydrophobicContact CE2-CB 4.07Å; Y1446-M1474 HydrophobicContact CD2-CG 3.73Å; Y1446-M1474 HydrophobicContact CE2-CG 4.49Å; Y1446-M1474 HydrophobicContact CG-CG 4.26Å |
| 1447 | L | 86.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -74.6 | -36.3 | 173.8 | -66.6 | 163.8 | 0 | 0 | 0 | 112.7 | L1443 S1444 T1445 F1449 G1450 S1451 F1457 M1474 L1626 L1629 Y1633 L1634 | L1443-L1447 HydrophobicContact CG-CD1 4.23Å; L1443-L1447 VanDerWaalsContact O-CG 3.25Å; L1443-L1447 WeakPolarHBondContact O-CG 3.5Å; L1443-L1447 PolarHBondContact O-N 3.32Å; S1444-L1447 WeakPolarHBondContact O-CB 3.49Å; S1444-L1447 PolarHBondContact O-N 2.87Å; S1444-L1447 VanDerWaalsContact O-N 3.16Å; T1445-L1447 VanDerWaalsContact C-N 3.3Å; T1445-L1447 PolarHBondContact O-N 3.45Å; L1447-F1449 VanDerWaalsContact C-N 3.34Å; L1447-G1450 CarbonylContact O-C 3.57Å; L1447-G1450 PolarHBondContact O-N 2.88Å; L1447-S1451 WeakPolarHBondContact O-CB 3.26Å; L1447-S1451 PolarHBondContact O-N 3.46Å; L1447-F1457 HydrophobicContact CD2-CZ 4.4Å; L1447-M1474 HydrophobicContact CD2-CE 4.06Å; L1447-L1626 HydrophobicContact CD2-CD2 4.2Å; L1447-L1629 HydrophobicContact CD1-CD2 3.35Å; L1447-L1629 HydrophobicContact CD1-CG 4.38Å; L1447-L1629 HydrophobicContact CD2-CD2 3.35Å; L1447-L1629 HydrophobicContact CG-CD2 3.77Å; L1447-Y1633 HydrophobicContact CD1-CD2 4.1Å; L1447-Y1633 HydrophobicContact CD1-CG 4.27Å; L1447-L1634 HydrophobicContact CB-CD1 4.3Å; L1447-L1634 HydrophobicContact CB-CD2 4.33Å; L1447-L1634 HydrophobicContact CB-CG 4.3Å |
| 1448 | E | 84.8 | Confident | 81.8 | Confident | 61 Ų | 61 | 33.9 Ų | 33.9 | 29% | 0.285 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 172.3 | -171.8 | 176 | -170.1 | 0 | 0 | 109.9 | L1426 S1444 T1445 G1450 S1451 I1452 L1634 | L1426-E1448 HydrophobicContact CD1-CG 4.39Å; L1426-E1448 HydrophobicContact CD2-CG 4.34Å; S1444-E1448 PolarHBondContact O-N 3.48Å; T1445-E1448 PolarHBondContact O-N 3.26Å; E1448-G1450 PolarHBondContact O-N 2.82Å; E1448-S1451 PolarHBondContact O-N 3.04Å; E1448-S1451 VanDerWaalsContact O-N 3.12Å; E1448-S1451 PolarHBondContact O-OG 3.05Å; E1448-I1452 HydrophobicContact CG-CD1 4.2Å; E1448-I1452 WeakPolarHBondContact O-CG1 3.44Å; E1448-I1452 PolarHBondContact O-N 3.41Å; E1448-L1634 HydrophobicContact CB-CD2 4.1Å |
| 1449 | F | 83.5 | Confident | 81 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -52.6 | -50.9 | 169.1 | 161 | -107.6 | 0 | 0 | 0 | 111.8 | V1295 I1423 L1426 I1427 T1445 Y1446 L1447 S1451 I1452 V1453 F1465 L1470 | V1295-F1449 HydrophobicContact CG1-CE2 4.5Å; V1295-F1449 HydrophobicContact CG1-CZ 4.31Å; I1423-F1449 HydrophobicContact CB-CD2 4.34Å; I1423-F1449 HydrophobicContact CB-CE2 4.35Å; I1423-F1449 HydrophobicContact CG1-CD2 4.29Å; I1423-F1449 HydrophobicContact CG1-CE2 4.37Å; I1423-F1449 HydrophobicContact CG2-CD2 3.67Å; I1423-F1449 HydrophobicContact CG2-CE2 3.33Å; I1423-F1449 HydrophobicContact CG2-CZ 4.5Å; L1426-F1449 HydrophobicContact CB-CB 4.29Å; I1427-F1449 HydrophobicContact CD1-CD2 4.06Å; I1427-F1449 HydrophobicContact CD1-CE2 3.73Å; I1427-F1449 HydrophobicContact CD1-CZ 3.95Å; I1427-F1449 HydrophobicContact CG1-CD1 4.49Å; I1427-F1449 HydrophobicContact CG1-CD2 3.98Å; I1427-F1449 HydrophobicContact CG1-CE2 4.15Å; I1427-F1449 HydrophobicContact CG1-CG 4.15Å; I1427-F1449 HydrophobicContact CG1-CZ 4.44Å; T1445-F1449 PolarHBondContact O-N 2.86Å; Y1446-F1449 WeakPolarHBondContact O-CB 3.41Å; L1447-F1449 VanDerWaalsContact C-N 3.34Å; F1449-S1451 VanDerWaalsContact C-N 3.29Å; F1449-S1451 PolarHBondContact O-N 2.67Å; F1449-I1452 PolarHBondContact O-N 2.63Å; F1449-V1453 HydrophobicContact CD2-CG2 3.9Å; F1449-V1453 HydrophobicContact CE2-CG2 3.52Å; F1449-V1453 HydrophobicContact CZ-CG2 4.11Å; F1449-V1453 WeakPolarHBondContact O-CB 3.23Å; F1449-V1453 VanDerWaalsContact O-CG2 3.28Å; F1449-V1453 WeakPolarHBondContact O-CG2 3.5Å; F1449-V1453 PolarHBondContact O-N 3.38Å; F1449-V1453 VanDerWaalsContact O-N 3.13Å; F1449-F1465 HydrophobicContact CE1-CB 4.41Å; F1449-F1465 HydrophobicContact CZ-CB 3.96Å; F1449-L1470 HydrophobicContact CD1-CD2 3.91Å; F1449-L1470 HydrophobicContact CE1-CD2 3.52Å |
| 1450 | G | 79.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.9 | -38.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1446 L1447 E1448 T1454 | Y1446-G1450 PolarHBondContact O-N 2.86Å; L1447-G1450 CarbonylContact O-C 3.57Å; L1447-G1450 PolarHBondContact O-N 2.88Å; E1448-G1450 PolarHBondContact O-N 2.82Å; G1450-T1454 WeakPolarHBondContact O-CB 3.32Å; G1450-T1454 WeakPolarHBondContact O-CG2 3.47Å; G1450-T1454 PolarHBondContact O-N 3.07Å; G1450-T1454 VanDerWaalsContact O-N 3.07Å; G1450-T1454 PolarHBondContact O-OG1 3.15Å |
| 1451 | S | 81.6 | Confident | 78.4 | Confident | 27 Ų | 27 | 30.9 Ų | 30.9 | 19% | 0.189 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.8 | -39.6 | -177.6 | 77.2 | 0 | 0 | 0 | 0 | 112.3 | L1447 E1448 F1449 D1455 A1456 | L1447-S1451 WeakPolarHBondContact O-CB 3.26Å; L1447-S1451 PolarHBondContact O-N 3.46Å; E1448-S1451 PolarHBondContact O-N 3.04Å; E1448-S1451 VanDerWaalsContact O-N 3.12Å; E1448-S1451 PolarHBondContact O-OG 3.05Å; F1449-S1451 VanDerWaalsContact C-N 3.29Å; F1449-S1451 PolarHBondContact O-N 2.67Å; S1451-D1455 PolarHBondContact O-N 2.94Å; S1451-A1456 PolarHBondContact O-N 3.2Å |
| 1452 | I | 78.7 | Confident | 77.2 | Confident | 50 Ų | 50 | 28.4 Ų | 28.4 | 26% | 0.256 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67.4 | -42.7 | 177.1 | -69.1 | 160 | 0 | 0 | 0 | 110.1 | L1426 E1448 F1449 T1454 | L1426-I1452 HydrophobicContact CD1-CD1 3.32Å; E1448-I1452 HydrophobicContact CG-CD1 4.2Å; E1448-I1452 WeakPolarHBondContact O-CG1 3.44Å; E1448-I1452 PolarHBondContact O-N 3.41Å; F1449-I1452 PolarHBondContact O-N 2.63Å; I1452-T1454 PolarHBondContact O-N 2.93Å |
| 1453 | V | 74.7 | Confident | 76 | Confident | 11 Ų | 11 | 33 Ų | 33 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.4 | -32.8 | -178.7 | 169.4 | 0 | 0 | 0 | 0 | 113.3 | I1423 F1449 F1465 | I1423-V1453 HydrophobicContact CD1-CG2 3.63Å; I1423-V1453 HydrophobicContact CG1-CG2 4.04Å; F1449-V1453 HydrophobicContact CD2-CG2 3.9Å; F1449-V1453 HydrophobicContact CE2-CG2 3.52Å; F1449-V1453 HydrophobicContact CZ-CG2 4.11Å; F1449-V1453 WeakPolarHBondContact O-CB 3.23Å; F1449-V1453 VanDerWaalsContact O-CG2 3.28Å; F1449-V1453 WeakPolarHBondContact O-CG2 3.5Å; F1449-V1453 PolarHBondContact O-N 3.38Å; F1449-V1453 VanDerWaalsContact O-N 3.13Å; V1453-F1465 HydrophobicContact CG1-CB 3.88Å; V1453-F1465 HydrophobicContact CG1-CD1 4.03Å; V1453-F1465 HydrophobicContact CG1-CD2 3.04Å; V1453-F1465 HydrophobicContact CG1-CE1 4.35Å; V1453-F1465 HydrophobicContact CG1-CE2 3.39Å; V1453-F1465 HydrophobicContact CG1-CG 3.38Å; V1453-F1465 HydrophobicContact CG1-CZ 4.05Å |
| 1454 | T | 73.5 | Confident | 74.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 10 | -172.9 | 60.7 | 0 | 0 | 0 | 0 | 114.5 | G1450 I1452 F1457 S1458 K1459 L1462 | G1450-T1454 WeakPolarHBondContact O-CB 3.32Å; G1450-T1454 WeakPolarHBondContact O-CG2 3.47Å; G1450-T1454 PolarHBondContact O-N 3.07Å; G1450-T1454 VanDerWaalsContact O-N 3.07Å; G1450-T1454 PolarHBondContact O-OG1 3.15Å; I1452-T1454 PolarHBondContact O-N 2.93Å; T1454-F1457 HydrophobicContact CG2-CD1 4.46Å; T1454-F1457 PolarHBondContact O-N 3.42Å; T1454-F1457 WeakPolarHBondContact OG1-CA 3.46Å; T1454-F1457 WeakPolarHBondContact OG1-CD1 3.24Å; T1454-F1457 PolarHBondContact OG1-N 2.81Å; T1454-S1458 PolarHBondContact O-N 3.02Å; T1454-S1458 PolarHBondContact O-OG 2.98Å; T1454-K1459 PolarHBondContact O-N 2.92Å; T1454-L1462 HydrophobicContact CG2-CD2 4.31Å |
| 1455 | D | 73.5 | Confident | 73.6 | Confident | 68 Ų | 68 | 35.7 Ų | 35.7 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 66.5 | -169.8 | -60.8 | -13.7 | 0 | 0 | 0 | 110.9 | Y1371 S1451 F1457 S1458 K1459 | Y1371-D1455 PolarHBondContact OH-OD1 3.08Å; Y1371-D1455 PolarHBondContact OH-OD2 3.07Å; S1451-D1455 PolarHBondContact O-N 2.94Å; D1455-F1457 PolarHBondContact O-N 3.36Å; D1455-S1458 WeakPolarHBondContact CB-OG 3.4Å; D1455-S1458 VanDerWaalsContact O-CB 3.31Å; D1455-S1458 WeakPolarHBondContact O-CB 3.32Å; D1455-S1458 PolarHBondContact O-N 2.99Å; D1455-S1458 PolarHBondContact O-OG 3.16Å; D1455-K1459 WeakPolarHBondContact OD2-CE 3.4Å; D1455-K1459 IonicContact OD2-NZ 3.79Å; D1455-K1459 PolarHBondContact OD2-NZ 3.08Å |
| 1456 | A | 74.4 | Confident | 72.8 | Confident | 68 Ų | 68 | 35.9 Ų | 35.9 | 56% | 0.562 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 43.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1451 S1458 | S1451-A1456 PolarHBondContact O-N 3.2Å; A1456-S1458 PolarHBondContact O-N 3.38Å |
| 1457 | F | 75.2 | Confident | 72.1 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 35.7 | -179.9 | -48 | -75.8 | 0 | 0 | 0 | 112.8 | L1447 T1454 D1455 F1466 L1623 L1626 R1627 | L1447-F1457 HydrophobicContact CD2-CZ 4.4Å; T1454-F1457 HydrophobicContact CG2-CD1 4.46Å; T1454-F1457 PolarHBondContact O-N 3.42Å; T1454-F1457 WeakPolarHBondContact OG1-CA 3.46Å; T1454-F1457 WeakPolarHBondContact OG1-CD1 3.24Å; T1454-F1457 PolarHBondContact OG1-N 2.81Å; D1455-F1457 PolarHBondContact O-N 3.36Å; F1457-F1466 HydrophobicContact CE1-CZ 4.43Å; F1457-L1623 HydrophobicContact CB-CD2 4.09Å; F1457-L1626 HydrophobicContact CD1-CB 3.69Å; F1457-L1626 HydrophobicContact CD1-CD1 3.81Å; F1457-L1626 HydrophobicContact CD1-CG 4.36Å; F1457-L1626 HydrophobicContact CD2-CB 4.44Å; F1457-L1626 HydrophobicContact CE1-CB 3.87Å; F1457-L1626 HydrophobicContact CE1-CD1 3.87Å; F1457-L1626 HydrophobicContact CE1-CD2 4.48Å; F1457-L1626 HydrophobicContact CE1-CG 4.31Å; F1457-L1626 HydrophobicContact CG-CB 3.99Å; F1457-L1626 HydrophobicContact CZ-CB 4.33Å; F1457-R1627 HydrophobicContact CB-CG 3.82Å; F1457-R1627 HydrophobicContact CD2-CG 4.43Å; F1457-R1627 PolarHBondContact O-NE 3.09Å; F1457-R1627 PolarHBondContact O-NH2 3.42Å |
| 1458 | S | 72.3 | Confident | 71.4 | Confident | 70 Ų | 70 | 40.1 Ų | 40.1 | 49% | 0.49 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -31.3 | 172 | 64.7 | 0 | 0 | 0 | 0 | 112.3 | T1454 D1455 A1456 | T1454-S1458 PolarHBondContact O-N 3.02Å; T1454-S1458 PolarHBondContact O-OG 2.98Å; D1455-S1458 WeakPolarHBondContact CB-OG 3.4Å; D1455-S1458 VanDerWaalsContact O-CB 3.31Å; D1455-S1458 WeakPolarHBondContact O-CB 3.32Å; D1455-S1458 PolarHBondContact O-N 2.99Å; D1455-S1458 PolarHBondContact O-OG 3.16Å; A1456-S1458 PolarHBondContact O-N 3.38Å |
| 1459 | K | 68.1 | Low | 71 | Confident | 74 Ų | 74 | 39.5 Ų | 39.5 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -103.8 | 138.4 | 180 | -66.5 | 172.2 | 178.9 | 162.1 | 0 | 112.2 | Y1371 T1454 D1455 V1461 | Y1371-K1459 PolarHBondContact OH-NZ 2.85Å; Y1371-K1459 VanDerWaalsContact OH-NZ 3.14Å; T1454-K1459 PolarHBondContact O-N 2.92Å; D1455-K1459 WeakPolarHBondContact OD2-CE 3.4Å; D1455-K1459 IonicContact OD2-NZ 3.79Å; D1455-K1459 PolarHBondContact OD2-NZ 3.08Å; K1459-V1461 HydrophobicContact CB-CG2 4.04Å; K1459-V1461 PolarHBondContact O-N 3.14Å; K1459-V1461 VanDerWaalsContact O-N 3.11Å |
| 1460 | N | 62.8 | Low | 70.8 | Confident | 87 Ų | 87 | 39.5 Ų | 39.5 | 47% | 0.465 | 23% | 0.229 | S | C | . | . | trans | -85.7 | 73.8 | -180 | -174.7 | 32.6 | 0 | 0 | 0 | 111.9 | C1619 L1623 | N1460-C1619 VanDerWaalsContact CG-SG 3.58Å; N1460-C1619 WeakPolarHBondContact ND2-CB 3.43Å; N1460-C1619 PolarHBondContact ND2-SG 3.49Å; N1460-C1619 PolarHBondContact OD1-SG 3.21Å; N1460-L1623 HydrophobicContact CB-CD1 4.12Å | ||
| 1461 | V | 55.6 | Low | 70.9 | Confident | 50 Ų | 50 | 39.5 Ų | 39.5 | 30% | 0.303 | 23% | 0.23 | S | C | . | . | trans | -116 | 23.1 | 178 | -153.8 | 0 | 0 | 0 | 0 | 111.6 | K1459 S1463 V1464 F1465 | K1459-V1461 HydrophobicContact CB-CG2 4.04Å; K1459-V1461 PolarHBondContact O-N 3.14Å; K1459-V1461 VanDerWaalsContact O-N 3.11Å; V1461-S1463 PolarHBondContact O-N 2.89Å; V1461-V1464 HydrophobicContact CG1-CB 4.36Å; V1461-V1464 HydrophobicContact CG1-CG2 4.29Å; V1461-V1464 PolarHBondContact O-N 2.73Å; V1461-F1465 HydrophobicContact CB-CD2 4.21Å; V1461-F1465 HydrophobicContact CB-CE2 4.14Å; V1461-F1465 HydrophobicContact CG1-CD2 3.86Å; V1461-F1465 HydrophobicContact CG1-CE2 3.5Å; V1461-F1465 WeakPolarHBondContact O-CD2 3.4Å | ||
| 1462 | L | 60.3 | Low | 70.9 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.1 | -41.8 | -168.1 | -68.8 | 169.6 | 0 | 0 | 0 | 113.5 | T1454 V1464 F1465 F1466 F1493 N1622 L1623 L1626 | T1454-L1462 HydrophobicContact CG2-CD2 4.31Å; L1462-V1464 VanDerWaalsContact C-N 3.28Å; L1462-V1464 PolarHBondContact O-N 3.1Å; L1462-F1465 PolarHBondContact O-N 3.29Å; L1462-F1466 HydrophobicContact CB-CD2 4.36Å; L1462-F1466 HydrophobicContact CD2-CD2 3.53Å; L1462-F1466 HydrophobicContact CD2-CE2 3.41Å; L1462-F1466 VanDerWaalsContact CD2-CE2 3.41Å; L1462-F1466 HydrophobicContact CD2-CZ 4.35Å; L1462-F1466 VanDerWaalsContact O-CB 3.3Å; L1462-F1466 WeakPolarHBondContact O-CB 3.28Å; L1462-F1466 PolarHBondContact O-N 3.16Å; L1462-F1493 HydrophobicContact CD1-CD1 4.36Å; L1462-F1493 HydrophobicContact CD1-CE1 4.09Å; L1462-N1622 HydrophobicContact CD1-CB 3.92Å; L1462-L1623 HydrophobicContact CD1-CD2 3.97Å; L1462-L1623 HydrophobicContact CD1-CG 4.27Å; L1462-L1623 HydrophobicContact CG-CD2 4.34Å; L1462-L1626 HydrophobicContact CD1-CD1 3.92Å; L1462-L1626 HydrophobicContact CD2-CD1 3.2Å; L1462-L1626 HydrophobicContact CG-CD1 4.21Å |
| 1463 | S | 60.9 | Low | 71.1 | Confident | 95 Ų | 95 | 39.6 Ų | 39.6 | 66% | 0.664 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -67.7 | -24.5 | -173.1 | 55.4 | 0 | 0 | 0 | 0 | 114.5 | V1461 | V1461-S1463 PolarHBondContact O-N 2.89Å |
| 1464 | V | 62.7 | Low | 71.6 | Confident | 49 Ų | 49 | 39 Ų | 39 | 30% | 0.297 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -80.2 | -32 | -178 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | C1298 V1461 L1462 | C1298-V1464 HydrophobicContact CB-CG1 3.95Å; V1461-V1464 HydrophobicContact CG1-CB 4.36Å; V1461-V1464 HydrophobicContact CG1-CG2 4.29Å; V1461-V1464 PolarHBondContact O-N 2.73Å; L1462-V1464 VanDerWaalsContact C-N 3.28Å; L1462-V1464 PolarHBondContact O-N 3.1Å |
| 1465 | F | 64.1 | Low | 72.1 | Confident | 27 Ų | 27 | 39.3 Ų | 39.3 | 12% | 0.118 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -110 | -31.4 | -169.9 | -62.8 | -67.4 | 0 | 0 | 0 | 113.5 | F1299 F1449 V1453 V1461 L1462 T1467 | F1299-F1465 HydrophobicContact CD1-CE1 4.34Å; F1299-F1465 HydrophobicContact CD2-CE1 4.4Å; F1299-F1465 AromaticContact CE1-CE1 3.59Å; F1299-F1465 HydrophobicContact CE1-CE1 3.59Å; F1299-F1465 AromaticContact CE1-CZ 3.98Å; F1299-F1465 HydrophobicContact CE1-CZ 3.98Å; F1299-F1465 HydrophobicContact CE2-CD1 4.12Å; F1299-F1465 AromaticContact CE2-CE1 3.66Å; F1299-F1465 HydrophobicContact CE2-CE1 3.66Å; F1299-F1465 AromaticContact CZ-CD1 3.91Å; F1299-F1465 HydrophobicContact CZ-CD1 3.91Å; F1299-F1465 AromaticContact CZ-CE1 3.19Å; F1299-F1465 HydrophobicContact CZ-CE1 3.19Å; F1299-F1465 AromaticContact CZ-CZ 3.97Å; F1299-F1465 HydrophobicContact CZ-CZ 3.97Å; F1449-F1465 HydrophobicContact CE1-CB 4.41Å; F1449-F1465 HydrophobicContact CZ-CB 3.96Å; V1453-F1465 HydrophobicContact CG1-CB 3.88Å; V1453-F1465 HydrophobicContact CG1-CD1 4.03Å; V1453-F1465 HydrophobicContact CG1-CD2 3.04Å; V1453-F1465 HydrophobicContact CG1-CE1 4.35Å; V1453-F1465 HydrophobicContact CG1-CE2 3.39Å; V1453-F1465 HydrophobicContact CG1-CG 3.38Å; V1453-F1465 HydrophobicContact CG1-CZ 4.05Å; V1461-F1465 HydrophobicContact CB-CD2 4.21Å; V1461-F1465 HydrophobicContact CB-CE2 4.14Å; V1461-F1465 HydrophobicContact CG1-CD2 3.86Å; V1461-F1465 HydrophobicContact CG1-CE2 3.5Å; V1461-F1465 WeakPolarHBondContact O-CD2 3.4Å; L1462-F1465 PolarHBondContact O-N 3.29Å; F1465-T1467 VanDerWaalsContact C-N 3.32Å; F1465-T1467 PolarHBondContact O-N 2.84Å; F1465-T1467 VanDerWaalsContact O-N 3.1Å |
| 1466 | F | 70 | Confident | 72.7 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -84.3 | 79.9 | 170.9 | -72.9 | -92.6 | 0 | 0 | 0 | 109.6 | F1457 L1462 L1470 V1471 M1474 L1626 | F1457-F1466 HydrophobicContact CE1-CZ 4.43Å; L1462-F1466 HydrophobicContact CB-CD2 4.36Å; L1462-F1466 HydrophobicContact CD2-CD2 3.53Å; L1462-F1466 HydrophobicContact CD2-CE2 3.41Å; L1462-F1466 VanDerWaalsContact CD2-CE2 3.41Å; L1462-F1466 HydrophobicContact CD2-CZ 4.35Å; L1462-F1466 VanDerWaalsContact O-CB 3.3Å; L1462-F1466 WeakPolarHBondContact O-CB 3.28Å; L1462-F1466 PolarHBondContact O-N 3.16Å; F1466-L1470 HydrophobicContact CD1-CD2 4.14Å; F1466-V1471 HydrophobicContact CB-CG2 3.8Å; F1466-V1471 HydrophobicContact CD1-CG2 4.34Å; F1466-M1474 HydrophobicContact CD1-SD 3.92Å; F1466-M1474 HydrophobicContact CE1-CE 4.09Å; F1466-M1474 HydrophobicContact CE1-SD 3.65Å; F1466-L1626 HydrophobicContact CE2-CD1 4.42Å; F1466-L1626 HydrophobicContact CZ-CD1 4.35Å |
| 1467 | T | 71.5 | Confident | 73.2 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 9% | 0.092 | 18% | 0.183 | C | C | . | . | trans | -62 | 156.2 | 175.6 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | Q1294 V1295 F1465 E1469 L1470 V1471 | Q1294-T1467 HydrophobicContact CB-CG2 3.97Å; V1295-T1467 HydrophobicContact CG2-CG2 3.94Å; F1465-T1467 VanDerWaalsContact C-N 3.32Å; F1465-T1467 PolarHBondContact O-N 2.84Å; F1465-T1467 VanDerWaalsContact O-N 3.1Å; T1467-E1469 PolarHBondContact O-N 3.05Å; T1467-E1469 VanDerWaalsContact O-N 3.15Å; T1467-L1470 PolarHBondContact O-N 2.62Å; T1467-L1470 PolarHBondContact OG1-N 2.91Å; T1467-V1471 WeakPolarHBondContact O-CG2 3.39Å; T1467-V1471 PolarHBondContact O-N 3.16Å | ||
| 1468 | K | 73.2 | Confident | 73.7 | Confident | 73 Ų | 73 | 33.5 Ų | 33.5 | 32% | 0.317 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -50.6 | -40.7 | 177.2 | -174.2 | -179.1 | -175.2 | 172.2 | 0 | 111.8 | F1472 D1498 S1500 L1501 | K1468-F1472 VanDerWaalsContact O-CB 3.24Å; K1468-F1472 WeakPolarHBondContact O-CB 3.28Å; K1468-F1472 PolarHBondContact O-N 3.5Å; K1468-D1498 IonicContact NZ-OD2 2.86Å; K1468-D1498 PolarHBondContact NZ-OD2 2.97Å; K1468-S1500 WeakPolarHBondContact CE-OG 3.07Å; K1468-S1500 PolarHBondContact NZ-OG 2.93Å; K1468-L1501 HydrophobicContact CG-CD1 3.94Å; K1468-L1501 HydrophobicContact CG-CG 4.45Å |
| 1469 | E | 74.8 | Confident | 74.1 | Confident | 48 Ų | 48 | 32.2 Ų | 32.2 | 22% | 0.224 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.8 | -43.4 | 179.4 | -170.2 | 63.4 | -164.4 | 0 | 0 | 111.8 | I1291 T1467 F1472 R1473 | I1291-E1469 HydrophobicContact CD1-CB 4.37Å; I1291-E1469 HydrophobicContact CD1-CG 3.74Å; I1291-E1469 HydrophobicContact CG1-CB 4Å; I1291-E1469 HydrophobicContact CG1-CG 3.47Å; I1291-E1469 VanDerWaalsContact CG1-CG 3.47Å; T1467-E1469 PolarHBondContact O-N 3.05Å; T1467-E1469 VanDerWaalsContact O-N 3.15Å; E1469-F1472 WeakPolarHBondContact O-CB 3.49Å; E1469-F1472 PolarHBondContact O-N 3.3Å; E1469-R1473 WeakPolarHBondContact O-CG 3.5Å; E1469-R1473 PolarHBondContact O-N 3.42Å |
| 1470 | L | 80.5 | Confident | 74.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -46 | 177.1 | -176.8 | 64.4 | 0 | 0 | 0 | 111.8 | I1291 Y1446 F1449 F1466 T1467 F1472 R1473 M1474 | I1291-L1470 HydrophobicContact CG2-CB 4.22Å; I1291-L1470 HydrophobicContact CG2-CD1 4.35Å; Y1446-L1470 HydrophobicContact CD1-CD1 3.39Å; Y1446-L1470 HydrophobicContact CD2-CD1 4.23Å; Y1446-L1470 HydrophobicContact CE1-CD1 3.51Å; Y1446-L1470 HydrophobicContact CE2-CD1 4.35Å; Y1446-L1470 HydrophobicContact CG-CD1 3.77Å; F1449-L1470 HydrophobicContact CD1-CD2 3.91Å; F1449-L1470 HydrophobicContact CE1-CD2 3.52Å; F1466-L1470 HydrophobicContact CD1-CD2 4.14Å; T1467-L1470 PolarHBondContact O-N 2.62Å; T1467-L1470 PolarHBondContact OG1-N 2.91Å; L1470-F1472 VanDerWaalsContact C-N 3.27Å; L1470-F1472 PolarHBondContact O-N 3.11Å; L1470-R1473 WeakPolarHBondContact O-CB 3.32Å; L1470-R1473 PolarHBondContact O-N 3.15Å; L1470-M1474 HydrophobicContact CG-SD 4.44Å; L1470-M1474 WeakPolarHBondContact O-CG 3.47Å; L1470-M1474 PolarHBondContact O-N 3.42Å |
| 1471 | V | 81.2 | Confident | 75.8 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 175.6 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | F1466 T1467 M1474 M1475 L1490 F1493 | F1466-V1471 HydrophobicContact CB-CG2 3.8Å; F1466-V1471 HydrophobicContact CD1-CG2 4.34Å; T1467-V1471 WeakPolarHBondContact O-CG2 3.39Å; T1467-V1471 PolarHBondContact O-N 3.16Å; V1471-M1474 PolarHBondContact O-N 3.29Å; V1471-M1475 HydrophobicContact CG1-CG 4.45Å; V1471-M1475 HydrophobicContact CG1-SD 4.26Å; V1471-M1475 WeakPolarHBondContact O-CB 3.37Å; V1471-M1475 VanDerWaalsContact O-CG 3.29Å; V1471-M1475 WeakPolarHBondContact O-CG 3.49Å; V1471-M1475 PolarHBondContact O-N 2.6Å; V1471-L1490 WeakPolarHBondContact CG1-O 3.34Å; V1471-F1493 HydrophobicContact CG1-CB 4.31Å; V1471-F1493 HydrophobicContact CG2-CB 4.33Å |
| 1472 | F | 81.9 | Confident | 76.9 | Confident | 45 Ų | 45 | 32.1 Ų | 32.1 | 20% | 0.197 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 176.4 | -177.5 | -102.3 | 0 | 0 | 0 | 112.6 | K1468 E1469 L1470 M1475 C1476 L1501 I1524 | K1468-F1472 VanDerWaalsContact O-CB 3.24Å; K1468-F1472 WeakPolarHBondContact O-CB 3.28Å; K1468-F1472 PolarHBondContact O-N 3.5Å; E1469-F1472 WeakPolarHBondContact O-CB 3.49Å; E1469-F1472 PolarHBondContact O-N 3.3Å; L1470-F1472 VanDerWaalsContact C-N 3.27Å; L1470-F1472 PolarHBondContact O-N 3.11Å; F1472-M1475 WeakPolarHBondContact O-CB 3.42Å; F1472-M1475 PolarHBondContact O-N 3.2Å; F1472-C1476 PolarHBondContact O-N 3.15Å; F1472-C1476 PolarHBondContact O-SG 3.18Å; F1472-L1501 HydrophobicContact CD2-CD2 3.79Å; F1472-I1524 HydrophobicContact CZ-CG2 3.99Å |
| 1473 | R | 81.8 | Confident | 77.9 | Confident | 33 Ų | 33 | 32.5 Ų | 32.5 | 13% | 0.125 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.7 | -46 | 172 | -70.2 | -60.9 | -155 | -158.5 | 3.8 | 111.6 | I1291 E1431 F1434 Y1446 E1469 L1470 M1475 C1476 C1477 | I1291-R1473 HydrophobicContact CD1-CG 3.57Å; E1431-R1473 IonicContact OE1-NE 2.78Å; E1431-R1473 IonicContact OE2-CZ 2.97Å; E1431-R1473 IonicContact OE2-NE 3.81Å; E1431-R1473 PolarHBondContact OE2-NE 3.2Å; E1431-R1473 IonicContact OE2-NH2 3.78Å; E1431-R1473 PolarHBondContact OE2-NH2 2.9Å; F1434-R1473 VanDerWaalsContact CE1-NH1 3.31Å; F1434-R1473 HydrophobicContact CE2-CB 4.47Å; Y1446-R1473 HydrophobicContact CE2-CB 4.07Å; E1469-R1473 WeakPolarHBondContact O-CG 3.5Å; E1469-R1473 PolarHBondContact O-N 3.42Å; L1470-R1473 WeakPolarHBondContact O-CB 3.32Å; L1470-R1473 PolarHBondContact O-N 3.15Å; R1473-M1475 PolarHBondContact O-N 3.32Å; R1473-C1476 WeakPolarHBondContact O-CB 3.19Å; R1473-C1476 PolarHBondContact O-N 2.96Å; R1473-C1477 PolarHBondContact O-N 3.11Å; R1473-C1477 PolarHBondContact O-SG 3.05Å; R1473-C1477 VanDerWaalsContact O-SG 3.35Å |
| 1474 | M | 85.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 176.7 | -67.4 | 174.7 | 74.5 | 0 | 0 | 111.7 | L1443 Y1446 L1447 F1466 L1470 V1471 C1476 C1477 L1478 L1490 | L1443-M1474 HydrophobicContact CD1-CB 4.16Å; L1443-M1474 HydrophobicContact CD1-CE 3.85Å; L1443-M1474 HydrophobicContact CD1-CG 4.17Å; Y1446-M1474 HydrophobicContact CD2-CG 3.73Å; Y1446-M1474 HydrophobicContact CE2-CG 4.49Å; Y1446-M1474 HydrophobicContact CG-CG 4.26Å; L1447-M1474 HydrophobicContact CD2-CE 4.06Å; F1466-M1474 HydrophobicContact CD1-SD 3.92Å; F1466-M1474 HydrophobicContact CE1-CE 4.09Å; F1466-M1474 HydrophobicContact CE1-SD 3.65Å; L1470-M1474 HydrophobicContact CG-SD 4.44Å; L1470-M1474 WeakPolarHBondContact O-CG 3.47Å; L1470-M1474 PolarHBondContact O-N 3.42Å; V1471-M1474 PolarHBondContact O-N 3.29Å; M1474-C1476 VanDerWaalsContact C-N 3.33Å; M1474-C1476 PolarHBondContact O-N 3.37Å; M1474-C1477 WeakPolarHBondContact O-CB 3.16Å; M1474-C1477 PolarHBondContact O-N 3.31Å; M1474-L1478 WeakPolarHBondContact O-CG 3.42Å; M1474-L1478 PolarHBondContact O-N 2.97Å; M1474-L1490 HydrophobicContact CB-CD1 3.61Å; M1474-L1490 HydrophobicContact CE-CD1 4.21Å |
| 1475 | M | 84.7 | Confident | 79.8 | Confident | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.03 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 173.2 | -74 | 174.9 | 62.9 | 0 | 0 | 111.3 | V1471 F1472 R1473 L1478 Q1479 L1490 V1505 | V1471-M1475 HydrophobicContact CG1-CG 4.45Å; V1471-M1475 HydrophobicContact CG1-SD 4.26Å; V1471-M1475 WeakPolarHBondContact O-CB 3.37Å; V1471-M1475 VanDerWaalsContact O-CG 3.29Å; V1471-M1475 WeakPolarHBondContact O-CG 3.49Å; V1471-M1475 PolarHBondContact O-N 2.6Å; F1472-M1475 WeakPolarHBondContact O-CB 3.42Å; F1472-M1475 PolarHBondContact O-N 3.2Å; R1473-M1475 PolarHBondContact O-N 3.32Å; M1475-L1478 PolarHBondContact O-N 3.47Å; M1475-Q1479 WeakPolarHBondContact O-CB 3.39Å; M1475-Q1479 VanDerWaalsContact O-CG 3.28Å; M1475-Q1479 WeakPolarHBondContact O-CG 3.4Å; M1475-Q1479 PolarHBondContact O-N 2.92Å; M1475-L1490 HydrophobicContact CG-CB 3.78Å; M1475-V1505 HydrophobicContact CE-CG2 3.52Å |
| 1476 | C | 85 | Confident | 80.8 | Confident | 15 Ų | 15 | 26.6 Ų | 26.6 | 10% | 0.101 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.9 | -45.1 | 175.3 | -68.8 | 0 | 0 | 0 | 0 | 111.3 | F1434 F1472 R1473 M1474 L1478 Q1479 Y1480 | F1434-C1476 HydrophobicContact CE2-CB 3.99Å; F1434-C1476 HydrophobicContact CZ-CB 4.04Å; F1472-C1476 PolarHBondContact O-N 3.15Å; F1472-C1476 PolarHBondContact O-SG 3.18Å; R1473-C1476 WeakPolarHBondContact O-CB 3.19Å; R1473-C1476 PolarHBondContact O-N 2.96Å; M1474-C1476 VanDerWaalsContact C-N 3.33Å; M1474-C1476 PolarHBondContact O-N 3.37Å; C1476-L1478 VanDerWaalsContact C-N 3.32Å; C1476-L1478 PolarHBondContact O-N 2.82Å; C1476-Q1479 PolarHBondContact O-N 3.38Å; C1476-Y1480 HydrophobicContact CB-CD2 4.27Å; C1476-Y1480 HydrophobicContact CB-CE2 4.04Å; C1476-Y1480 WeakPolarHBondContact O-CD2 3.23Å; C1476-Y1480 PolarHBondContact O-N 3.38Å |
| 1477 | C | 85.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.9 | -49.6 | 175.5 | -71.2 | 0 | 0 | 0 | 0 | 111.4 | F1434 L1443 R1473 M1474 Y1480 L1481 | F1434-C1477 WeakPolarHBondContact CD2-SG 3.47Å; L1443-C1477 HydrophobicContact CB-CB 4.37Å; R1473-C1477 PolarHBondContact O-N 3.11Å; R1473-C1477 PolarHBondContact O-SG 3.05Å; R1473-C1477 VanDerWaalsContact O-SG 3.35Å; M1474-C1477 WeakPolarHBondContact O-CB 3.16Å; M1474-C1477 PolarHBondContact O-N 3.31Å; C1477-Y1480 PolarHBondContact O-N 2.97Å; C1477-L1481 WeakPolarHBondContact O-CB 3.41Å; C1477-L1481 WeakPolarHBondContact O-CG 3.27Å; C1477-L1481 PolarHBondContact O-N 3.46Å |
| 1478 | L | 84.4 | Confident | 82 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65 | -41 | 179.9 | -69.1 | 173.1 | 0 | 0 | 0 | 112.3 | L1443 M1474 M1475 C1476 L1481 G1482 L1483 E1486 L1490 | L1443-L1478 HydrophobicContact CD2-CD2 3.55Å; L1443-L1478 HydrophobicContact CD2-CG 4.24Å; M1474-L1478 WeakPolarHBondContact O-CG 3.42Å; M1474-L1478 PolarHBondContact O-N 2.97Å; M1475-L1478 PolarHBondContact O-N 3.47Å; C1476-L1478 VanDerWaalsContact C-N 3.32Å; C1476-L1478 PolarHBondContact O-N 2.82Å; L1478-L1481 CarbonylContact O-C 3.58Å; L1478-L1481 PolarHBondContact O-N 3.34Å; L1478-G1482 PolarHBondContact O-N 3.1Å; L1478-G1482 VanDerWaalsContact O-N 3.13Å; L1478-L1483 HydrophobicContact CB-CB 4.37Å; L1478-L1483 HydrophobicContact CD2-CB 4.26Å; L1478-L1483 HydrophobicContact CD2-CD1 3.94Å; L1478-L1483 PolarHBondContact O-N 3.13Å; L1478-E1486 HydrophobicContact CD1-CB 3.81Å; L1478-E1486 HydrophobicContact CD2-CB 4.19Å; L1478-E1486 WeakPolarHBondContact CD2-OE2 3.38Å; L1478-E1486 HydrophobicContact CG-CB 4.47Å; L1478-L1490 HydrophobicContact CD1-CD1 3.4Å; L1478-L1490 HydrophobicContact CD1-CG 4.02Å |
| 1479 | Q | 82.6 | Confident | 82.5 | Confident | 44 Ų | 44 | 22.3 Ų | 22.3 | 21% | 0.206 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | 175.3 | -73.1 | 175.3 | 5.1 | 0 | 0 | 111.8 | M1475 C1476 L1481 G1482 S1487 | M1475-Q1479 WeakPolarHBondContact O-CB 3.39Å; M1475-Q1479 VanDerWaalsContact O-CG 3.28Å; M1475-Q1479 WeakPolarHBondContact O-CG 3.4Å; M1475-Q1479 PolarHBondContact O-N 2.92Å; C1476-Q1479 PolarHBondContact O-N 3.38Å; Q1479-L1481 VanDerWaalsContact C-N 3.28Å; Q1479-L1481 PolarHBondContact O-N 2.99Å; Q1479-G1482 PolarHBondContact O-N 3.43Å; Q1479-S1487 PolarHBondContact NE2-OG 3.08Å |
| 1480 | Y | 82.3 | Confident | 83 | Confident | 131 Ų | 131 | 20.1 Ų | 20.1 | 51% | 0.514 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -68.3 | -26.6 | 175.5 | -70.7 | -57.9 | 0 | 0 | 0 | 113.1 | Y1439 C1476 C1477 G1482 | Y1439-Y1480 AromaticContact CD1-CD2 3.93Å; Y1439-Y1480 HydrophobicContact CD1-CD2 3.93Å; Y1439-Y1480 HydrophobicContact CD1-CG 4.48Å; Y1439-Y1480 VanDerWaalsContact CD2-CB 3.49Å; Y1439-Y1480 HydrophobicContact CD2-CD2 4.39Å; Y1439-Y1480 HydrophobicContact CD2-CG 4.14Å; Y1439-Y1480 AromaticContact CE1-CD2 3.44Å; Y1439-Y1480 HydrophobicContact CE1-CD2 3.44Å; Y1439-Y1480 VanDerWaalsContact CE1-CD2 3.44Å; Y1439-Y1480 AromaticContact CE1-CE2 3.98Å; Y1439-Y1480 HydrophobicContact CE1-CE2 3.98Å; Y1439-Y1480 HydrophobicContact CE1-CG 4.09Å; Y1439-Y1480 HydrophobicContact CE2-CD1 4.35Å; Y1439-Y1480 AromaticContact CE2-CD2 3.96Å; Y1439-Y1480 HydrophobicContact CE2-CD2 3.96Å; Y1439-Y1480 AromaticContact CE2-CG 3.71Å; Y1439-Y1480 HydrophobicContact CE2-CG 3.71Å; Y1439-Y1480 HydrophobicContact CG-CD2 4.38Å; Y1439-Y1480 AromaticContact CZ-CD2 3.45Å; Y1439-Y1480 VanDerWaalsContact CZ-CD2 3.45Å; Y1439-Y1480 AromaticContact CZ-CE2 3.99Å; Y1439-Y1480 AromaticContact CZ-CG 3.67Å; C1476-Y1480 HydrophobicContact CB-CD2 4.27Å; C1476-Y1480 HydrophobicContact CB-CE2 4.04Å; C1476-Y1480 WeakPolarHBondContact O-CD2 3.23Å; C1476-Y1480 PolarHBondContact O-N 3.38Å; C1477-Y1480 PolarHBondContact O-N 2.97Å; Y1480-G1482 VanDerWaalsContact C-N 3.26Å |
| 1481 | L | 83.2 | Confident | 83 | Confident | 50 Ų | 50 | 20.2 Ų | 20.2 | 26% | 0.262 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -3.7 | 171.3 | -68.8 | 169.3 | 0 | 0 | 0 | 113.2 | R1440 L1443 C1477 L1478 Q1479 L1483 L1561 | R1440-L1481 HydrophobicContact CB-CD2 4.26Å; L1443-L1481 HydrophobicContact CD2-CD1 4.45Å; C1477-L1481 WeakPolarHBondContact O-CB 3.41Å; C1477-L1481 WeakPolarHBondContact O-CG 3.27Å; C1477-L1481 PolarHBondContact O-N 3.46Å; L1478-L1481 CarbonylContact O-C 3.58Å; L1478-L1481 PolarHBondContact O-N 3.34Å; Q1479-L1481 VanDerWaalsContact C-N 3.28Å; Q1479-L1481 PolarHBondContact O-N 2.99Å; L1481-L1483 HydrophobicContact CB-CD1 4.13Å; L1481-L1483 HydrophobicContact CB-CG 4.34Å; L1481-L1561 WeakPolarHBondContact O-CD1 3.43Å |
| 1482 | G | 78.4 | Confident | 83 | Confident | 27 Ų | 27 | 20.5 Ų | 20.5 | 28% | 0.278 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 14.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | L1478 Q1479 Y1480 L1561 | L1478-G1482 PolarHBondContact O-N 3.1Å; L1478-G1482 VanDerWaalsContact O-N 3.13Å; Q1479-G1482 PolarHBondContact O-N 3.43Å; Y1480-G1482 VanDerWaalsContact C-N 3.26Å; G1482-L1561 PolarHBondContact O-N 3.09Å |
| 1483 | L | 81.9 | Confident | 82.8 | Confident | 19 Ų | 19 | 19.1 Ų | 19.1 | 10% | 0.099 | 9% | 0.093 | C | C | . | . | trans | -101.5 | 77.9 | -177.7 | -59.3 | 168.2 | 0 | 0 | 0 | 110.1 | L1478 L1481 E1486 S1487 L1561 D1562 Y1633 | L1478-L1483 HydrophobicContact CB-CB 4.37Å; L1478-L1483 HydrophobicContact CD2-CB 4.26Å; L1478-L1483 HydrophobicContact CD2-CD1 3.94Å; L1478-L1483 PolarHBondContact O-N 3.13Å; L1481-L1483 HydrophobicContact CB-CD1 4.13Å; L1481-L1483 HydrophobicContact CB-CG 4.34Å; L1483-E1486 HydrophobicContact CB-CB 4.12Å; L1483-E1486 HydrophobicContact CB-CG 4.33Å; L1483-S1487 PolarHBondContact O-N 3.25Å; L1483-L1561 HydrophobicContact CD2-CB 3.86Å; L1483-D1562 WeakPolarHBondContact CA-OD2 3.47Å; L1483-D1562 HydrophobicContact CD2-CB 3.82Å; L1483-Y1633 WeakPolarHBondContact CD1-OH 3.36Å | ||
| 1484 | F | 81.9 | Confident | 82 | Confident | 16 Ų | 16 | 18.6 Ų | 18.6 | 7% | 0.07 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -70.8 | -50.2 | -172.3 | 177.7 | -100.7 | 0 | 0 | 0 | 113.7 | E1486 S1487 V1488 I1508 I1509 L1512 T1560 D1562 | F1484-E1486 VanDerWaalsContact C-N 3.27Å; F1484-E1486 PolarHBondContact O-N 2.75Å; F1484-S1487 CarbonylContact O-C 3.55Å; F1484-S1487 WeakPolarHBondContact O-CA 3.33Å; F1484-S1487 VanDerWaalsContact O-CB 3.28Å; F1484-S1487 WeakPolarHBondContact O-CB 3.33Å; F1484-S1487 PolarHBondContact O-N 2.75Å; F1484-S1487 VanDerWaalsContact O-N 3.11Å; F1484-V1488 HydrophobicContact CD1-CG2 3.93Å; F1484-V1488 HydrophobicContact CE1-CG2 3.51Å; F1484-V1488 HydrophobicContact CE2-CG2 4.28Å; F1484-V1488 HydrophobicContact CG-CG2 4.48Å; F1484-V1488 HydrophobicContact CZ-CG2 3.71Å; F1484-V1488 VanDerWaalsContact O-CG2 3.3Å; F1484-V1488 WeakPolarHBondContact O-CG2 3.46Å; F1484-V1488 PolarHBondContact O-N 2.87Å; F1484-I1508 HydrophobicContact CE2-CG2 3.82Å; F1484-I1508 HydrophobicContact CZ-CG2 4.16Å; F1484-I1509 HydrophobicContact CE1-CG1 4.22Å; F1484-I1509 HydrophobicContact CZ-CG1 3.88Å; F1484-L1512 HydrophobicContact CE1-CD1 4.11Å; F1484-L1512 HydrophobicContact CE2-CD1 4.02Å; F1484-L1512 HydrophobicContact CZ-CD1 3.61Å; F1484-T1560 HydrophobicContact CB-CG2 3.68Å; F1484-T1560 HydrophobicContact CG-CG2 4.45Å; F1484-D1562 PolarHBondContact N-OD2 2.99Å |
| 1485 | Y | 82.1 | Confident | 80.8 | Confident | 21 Ų | 21 | 21.1 Ų | 21.1 | 8% | 0.082 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.2 | -32.9 | 178.9 | -69.5 | -87.2 | 0 | 0 | 0 | 112.1 | V1488 V1489 T1560 D1562 P1564 L1580 F1596 | Y1485-V1488 WeakPolarHBondContact O-CB 3.46Å; Y1485-V1488 PolarHBondContact O-N 3.44Å; Y1485-V1489 WeakPolarHBondContact O-CG2 3.49Å; Y1485-V1489 PolarHBondContact O-N 2.82Å; Y1485-T1560 HydrophobicContact CE2-CG2 4.49Å; Y1485-D1562 VanDerWaalsContact CA-OD2 3.31Å; Y1485-D1562 WeakPolarHBondContact CA-OD2 3.47Å; Y1485-D1562 VanDerWaalsContact CB-OD2 3.3Å; Y1485-D1562 WeakPolarHBondContact CB-OD2 3.26Å; Y1485-D1562 WeakPolarHBondContact CD2-OD1 3.49Å; Y1485-D1562 PolarHBondContact N-OD2 3.5Å; Y1485-P1564 HydrophobicContact CD1-CB 3.91Å; Y1485-P1564 HydrophobicContact CD2-CB 3.82Å; Y1485-P1564 HydrophobicContact CD2-CG 4.48Å; Y1485-P1564 HydrophobicContact CE1-CB 3.85Å; Y1485-P1564 HydrophobicContact CE2-CB 3.77Å; Y1485-P1564 HydrophobicContact CE2-CG 4.15Å; Y1485-P1564 HydrophobicContact CG-CB 3.88Å; Y1485-L1580 HydrophobicContact CE1-CD2 4.09Å; Y1485-F1596 HydrophobicContact CE1-CZ 4.21Å |
| 1486 | E | 84.9 | Confident | 79.3 | Confident | 10 Ų | 10 | 27 Ų | 27 | 5% | 0.047 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.5 | -43.7 | 171.2 | -69.1 | -166 | -172.3 | 0 | 0 | 111.5 | L1478 L1483 F1484 V1488 V1489 L1490 D1562 L1567 Y1625 | L1478-E1486 HydrophobicContact CD1-CB 3.81Å; L1478-E1486 HydrophobicContact CD2-CB 4.19Å; L1478-E1486 WeakPolarHBondContact CD2-OE2 3.38Å; L1478-E1486 HydrophobicContact CG-CB 4.47Å; L1483-E1486 HydrophobicContact CB-CB 4.12Å; L1483-E1486 HydrophobicContact CB-CG 4.33Å; F1484-E1486 VanDerWaalsContact C-N 3.27Å; F1484-E1486 PolarHBondContact O-N 2.75Å; E1486-V1488 VanDerWaalsContact C-N 3.26Å; E1486-V1488 PolarHBondContact O-N 3.41Å; E1486-V1489 PolarHBondContact O-N 3.08Å; E1486-L1490 PolarHBondContact O-N 3.18Å; E1486-D1562 HydrophobicContact CG-CB 4.39Å; E1486-D1562 PolarHBondContact N-OD2 2.84Å; E1486-L1567 HydrophobicContact CB-CD1 4.49Å; E1486-L1567 HydrophobicContact CG-CD1 3.58Å; E1486-L1567 HydrophobicContact CG-CD2 4.04Å; E1486-L1567 HydrophobicContact CG-CG 4.47Å; E1486-Y1625 VanDerWaalsContact CA-OH 3.23Å; E1486-Y1625 WeakPolarHBondContact CA-OH 3.41Å; E1486-Y1625 WeakPolarHBondContact CB-OH 3.26Å; E1486-Y1625 PolarHBondContact O-OH 3.27Å |
| 1487 | S | 83.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.2 | -36.8 | 170.4 | 153.1 | 0 | 0 | 0 | 0 | 112.5 | Q1479 L1483 F1484 L1490 S1491 | Q1479-S1487 PolarHBondContact NE2-OG 3.08Å; L1483-S1487 PolarHBondContact O-N 3.25Å; F1484-S1487 CarbonylContact O-C 3.55Å; F1484-S1487 WeakPolarHBondContact O-CA 3.33Å; F1484-S1487 VanDerWaalsContact O-CB 3.28Å; F1484-S1487 WeakPolarHBondContact O-CB 3.33Å; F1484-S1487 PolarHBondContact O-N 2.75Å; F1484-S1487 VanDerWaalsContact O-N 3.11Å; S1487-L1490 PolarHBondContact O-N 2.74Å; S1487-S1491 PolarHBondContact O-N 2.83Å; S1487-S1491 VanDerWaalsContact O-N 3.11Å |
| 1488 | V | 83 | Confident | 76 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.9 | -39.6 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | F1484 Y1485 E1486 S1491 V1505 I1509 L1571 L1576 L1580 | F1484-V1488 HydrophobicContact CD1-CG2 3.93Å; F1484-V1488 HydrophobicContact CE1-CG2 3.51Å; F1484-V1488 HydrophobicContact CE2-CG2 4.28Å; F1484-V1488 HydrophobicContact CG-CG2 4.48Å; F1484-V1488 HydrophobicContact CZ-CG2 3.71Å; F1484-V1488 VanDerWaalsContact O-CG2 3.3Å; F1484-V1488 WeakPolarHBondContact O-CG2 3.46Å; F1484-V1488 PolarHBondContact O-N 2.87Å; Y1485-V1488 WeakPolarHBondContact O-CB 3.46Å; Y1485-V1488 PolarHBondContact O-N 3.44Å; E1486-V1488 VanDerWaalsContact C-N 3.26Å; E1486-V1488 PolarHBondContact O-N 3.41Å; V1488-S1491 PolarHBondContact O-N 3.32Å; V1488-S1491 PolarHBondContact O-OG 3.38Å; V1488-V1505 HydrophobicContact CB-CG1 4.49Å; V1488-V1505 HydrophobicContact CG1-CG1 4.43Å; V1488-V1505 HydrophobicContact CG2-CG1 3.87Å; V1488-I1509 HydrophobicContact CG1-CD1 4.43Å; V1488-I1509 HydrophobicContact CG2-CD1 4.4Å; V1488-L1571 HydrophobicContact CG1-CD2 4.25Å; V1488-L1576 HydrophobicContact CG1-CD1 3.97Å; V1488-L1576 HydrophobicContact CG1-CD2 3.6Å; V1488-L1576 HydrophobicContact CG1-CG 3.95Å; V1488-L1580 HydrophobicContact CG1-CD1 4.13Å |
| 1489 | V | 84.3 | Confident | 75 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -45.1 | 174.4 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | Y1485 E1486 S1491 Q1492 F1493 L1567 L1571 Y1625 | Y1485-V1489 WeakPolarHBondContact O-CG2 3.49Å; Y1485-V1489 PolarHBondContact O-N 2.82Å; E1486-V1489 PolarHBondContact O-N 3.08Å; V1489-S1491 PolarHBondContact O-N 3.2Å; V1489-Q1492 WeakPolarHBondContact O-CB 3.38Å; V1489-Q1492 PolarHBondContact O-N 3.27Å; V1489-Q1492 VanDerWaalsContact O-N 3.1Å; V1489-F1493 HydrophobicContact CG1-CE2 4.29Å; V1489-F1493 WeakPolarHBondContact O-CD2 3.31Å; V1489-L1567 HydrophobicContact CG2-CB 4.28Å; V1489-L1571 HydrophobicContact CB-CD2 4.41Å; V1489-L1571 HydrophobicContact CG2-CD2 3.7Å; V1489-L1571 HydrophobicContact CG2-CG 4.11Å; V1489-Y1625 HydrophobicContact CB-CD1 4.29Å; V1489-Y1625 HydrophobicContact CB-CD2 4.48Å; V1489-Y1625 HydrophobicContact CB-CE1 3.92Å; V1489-Y1625 HydrophobicContact CB-CE2 4.19Å; V1489-Y1625 HydrophobicContact CG1-CD1 3.45Å; V1489-Y1625 VanDerWaalsContact CG1-CD1 3.45Å; V1489-Y1625 HydrophobicContact CG1-CD2 3.82Å; V1489-Y1625 HydrophobicContact CG1-CE1 3.6Å; V1489-Y1625 HydrophobicContact CG1-CE2 4.01Å; V1489-Y1625 HydrophobicContact CG1-CG 3.54Å |
| 1490 | L | 83.4 | Confident | 74.4 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.7 | -28.9 | 177.2 | -78.9 | -170.5 | 0 | 0 | 0 | 113.7 | V1471 M1474 M1475 L1478 E1486 S1487 Q1492 F1493 Y1625 | V1471-L1490 WeakPolarHBondContact CG1-O 3.34Å; M1474-L1490 HydrophobicContact CB-CD1 3.61Å; M1474-L1490 HydrophobicContact CE-CD1 4.21Å; M1475-L1490 HydrophobicContact CG-CB 3.78Å; L1478-L1490 HydrophobicContact CD1-CD1 3.4Å; L1478-L1490 HydrophobicContact CD1-CG 4.02Å; E1486-L1490 PolarHBondContact O-N 3.18Å; S1487-L1490 PolarHBondContact O-N 2.74Å; L1490-Q1492 PolarHBondContact O-N 3.24Å; L1490-F1493 HydrophobicContact CD2-CD2 4.26Å; L1490-F1493 HydrophobicContact CD2-CE2 4.34Å; L1490-F1493 WeakPolarHBondContact O-CB 3.39Å; L1490-F1493 PolarHBondContact O-N 2.9Å; L1490-Y1625 HydrophobicContact CD2-CD1 4.26Å; L1490-Y1625 HydrophobicContact CD2-CE1 3.71Å; L1490-Y1625 HydrophobicContact CG-CE1 3.93Å |
| 1491 | S | 82 | Confident | 73.8 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -59.8 | -21.3 | 177.1 | 75.3 | 0 | 0 | 0 | 0 | 113.7 | S1487 V1488 V1489 F1493 M1502 | S1487-S1491 PolarHBondContact O-N 2.83Å; S1487-S1491 VanDerWaalsContact O-N 3.11Å; V1488-S1491 PolarHBondContact O-N 3.32Å; V1488-S1491 PolarHBondContact O-OG 3.38Å; V1489-S1491 PolarHBondContact O-N 3.2Å; S1491-F1493 VanDerWaalsContact C-N 3.3Å; S1491-F1493 PolarHBondContact O-N 3.16Å; S1491-M1502 PolarHBondContact OG-SD 3.38Å |
| 1492 | Q | 81.3 | Confident | 73.4 | Confident | 7 Ų | 7 | 32.2 Ų | 32.2 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -76.7 | -12.3 | 176.8 | -58.2 | -178.3 | -39.6 | 0 | 0 | 113.4 | V1489 L1490 M1502 Y1570 W1572 N1573 L1576 | V1489-Q1492 WeakPolarHBondContact O-CB 3.38Å; V1489-Q1492 PolarHBondContact O-N 3.27Å; V1489-Q1492 VanDerWaalsContact O-N 3.1Å; L1490-Q1492 PolarHBondContact O-N 3.24Å; Q1492-M1502 HydrophobicContact CG-CE 4.15Å; Q1492-M1502 HydrophobicContact CG-SD 4.19Å; Q1492-Y1570 PolarHBondContact OE1-O 3.04Å; Q1492-W1572 HydrophobicContact CB-CZ2 3.83Å; Q1492-W1572 VanDerWaalsContact O-CZ2 3.25Å; Q1492-W1572 WeakPolarHBondContact O-CZ2 3.38Å; Q1492-N1573 HydrophobicContact CG-CB 4.38Å; Q1492-L1576 HydrophobicContact CG-CD2 3.9Å |
| 1493 | F | 76.7 | Confident | 73.3 | Confident | 17 Ų | 17 | 33.8 Ų | 33.8 | 8% | 0.075 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -84.4 | -9.2 | -174.6 | -74.8 | -117.3 | 0 | 0 | 0 | 113.6 | L1462 V1471 V1489 L1490 S1491 N1622 Y1625 L1626 | L1462-F1493 HydrophobicContact CD1-CD1 4.36Å; L1462-F1493 HydrophobicContact CD1-CE1 4.09Å; V1471-F1493 HydrophobicContact CG1-CB 4.31Å; V1471-F1493 HydrophobicContact CG2-CB 4.33Å; V1489-F1493 HydrophobicContact CG1-CE2 4.29Å; V1489-F1493 WeakPolarHBondContact O-CD2 3.31Å; L1490-F1493 HydrophobicContact CD2-CD2 4.26Å; L1490-F1493 HydrophobicContact CD2-CE2 4.34Å; L1490-F1493 WeakPolarHBondContact O-CB 3.39Å; L1490-F1493 PolarHBondContact O-N 2.9Å; S1491-F1493 VanDerWaalsContact C-N 3.3Å; S1491-F1493 PolarHBondContact O-N 3.16Å; F1493-N1622 HydrophobicContact CD1-CB 4.19Å; F1493-N1622 HydrophobicContact CE1-CB 3.48Å; F1493-N1622 VanDerWaalsContact CE1-CB 3.48Å; F1493-N1622 HydrophobicContact CE2-CB 4.21Å; F1493-N1622 VanDerWaalsContact CZ-CA 3.41Å; F1493-N1622 HydrophobicContact CZ-CB 3.5Å; F1493-N1622 VanDerWaalsContact CZ-O 3.32Å; F1493-N1622 WeakPolarHBondContact CZ-O 3.29Å; F1493-Y1625 AromaticContact CE2-CD1 3.85Å; F1493-Y1625 HydrophobicContact CE2-CD1 3.85Å; F1493-Y1625 AromaticContact CZ-CD1 3.79Å; F1493-Y1625 HydrophobicContact CZ-CD1 3.79Å; F1493-L1626 HydrophobicContact CD1-CD1 4.35Å; F1493-L1626 HydrophobicContact CE1-CD1 3.62Å; F1493-L1626 HydrophobicContact CE1-CD2 4.26Å; F1493-L1626 HydrophobicContact CE1-CG 3.69Å; F1493-L1626 HydrophobicContact CZ-CG 4.13Å |
| 1494 | G | 65.2 | Low | 72.8 | Confident | 21 Ų | 21 | 35.5 Ų | 35.5 | 22% | 0.216 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -61.6 | 151.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1496 | G1494-S1496 PolarHBondContact O-N 3.04Š|
| 1495 | P | 60.1 | Low | 72.6 | Confident | 54 Ų | 54 | 34.9 Ų | 34.9 | 35% | 0.351 | 21% | 0.209 | S | C | . | . | trans | -57.7 | 137.1 | 176.9 | 23.4 | -32.3 | 0 | 0 | 0 | 110.6 | S1497 D1498 | P1495-S1497 PolarHBondContact O-N 3.32Å; P1495-D1498 PolarHBondContact O-N 3.19Å | ||
| 1496 | S | 53.6 | Low | 72.4 | Confident | 128 Ų | 128 | 34.9 Ų | 34.9 | 90% | 0.895 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -5.5 | -169.8 | 39.3 | 0 | 0 | 0 | 0 | 116 | G1494 | G1494-S1496 PolarHBondContact O-N 3.04Š|
| 1497 | S | 49.7 | Very low | 72 | Confident | 94 Ų | 94 | 40.8 Ų | 40.8 | 66% | 0.657 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -25.4 | 178.4 | 64.7 | 0 | 0 | 0 | 0 | 114 | P1495 | P1495-S1497 PolarHBondContact O-N 3.32Š|
| 1498 | D | 51.5 | Low | 71.6 | Confident | 75 Ų | 75 | 43.4 Ų | 43.4 | 40% | 0.401 | 25% | 0.251 | S | S | . | . | trans | -122.5 | 91.1 | -163.1 | -78.9 | 21.3 | 0 | 0 | 0 | 112.9 | K1468 P1495 S1500 | K1468-D1498 IonicContact NZ-OD2 2.86Å; K1468-D1498 PolarHBondContact NZ-OD2 2.97Å; P1495-D1498 PolarHBondContact O-N 3.19Å; D1498-S1500 PolarHBondContact O-N 3.39Å | ||
| 1499 | E | 63.3 | Low | 71.3 | Confident | 109 Ų | 109 | 43.4 Ų | 43.4 | 51% | 0.509 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -8.7 | 172.1 | -63.9 | -160.2 | 142.4 | 0 | 0 | 114 | L1501 M1502 D1503 R1575 | E1499-L1501 PolarHBondContact O-N 3.31Å; E1499-M1502 PolarHBondContact O-N 2.86Å; E1499-D1503 WeakPolarHBondContact O-CB 3.4Å; E1499-D1503 PolarHBondContact O-N 2.9Å; E1499-R1575 IonicContact OE1-CZ 3.16Å; E1499-R1575 IonicContact OE1-NH1 3.07Å; E1499-R1575 PolarHBondContact OE1-NH1 3.29Å; E1499-R1575 IonicContact OE2-CZ 3.69Å; E1499-R1575 IonicContact OE2-NH1 3.78Å; E1499-R1575 PolarHBondContact OE2-NH1 3.26Å; E1499-R1575 IonicContact OE2-NH2 3.67Å |
| 1500 | S | 69.6 | Low | 70.7 | Confident | 39 Ų | 39 | 46.6 Ų | 46.6 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.3 | -43.5 | -176.3 | 60.9 | 0 | 0 | 0 | 0 | 116.1 | K1468 D1498 N1504 | K1468-S1500 WeakPolarHBondContact CE-OG 3.07Å; K1468-S1500 PolarHBondContact NZ-OG 2.93Å; D1498-S1500 PolarHBondContact O-N 3.39Å; S1500-N1504 WeakPolarHBondContact O-CB 3.42Å; S1500-N1504 PolarHBondContact O-N 3.43Å; S1500-N1504 PolarHBondContact O-ND2 3.12Å |
| 1501 | L | 70.5 | Confident | 70.1 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 179.2 | -74.5 | 177.6 | 0 | 0 | 0 | 110.8 | K1468 F1472 E1499 V1505 | K1468-L1501 HydrophobicContact CG-CD1 3.94Å; K1468-L1501 HydrophobicContact CG-CG 4.45Å; F1472-L1501 HydrophobicContact CD2-CD2 3.79Å; E1499-L1501 PolarHBondContact O-N 3.31Å; L1501-V1505 WeakPolarHBondContact O-CG2 3.35Å; L1501-V1505 PolarHBondContact O-N 2.89Å; L1501-V1505 VanDerWaalsContact O-N 3.09Å |
| 1502 | M | 75.1 | Confident | 69.2 | Low | 20 Ų | 20 | 50.9 Ų | 50.9 | 10% | 0.099 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 178.6 | -70.4 | -70.8 | -83.8 | 0 | 0 | 111.1 | S1491 Q1492 E1499 V1505 I1506 N1573 L1576 | S1491-M1502 PolarHBondContact OG-SD 3.38Å; Q1492-M1502 HydrophobicContact CG-CE 4.15Å; Q1492-M1502 HydrophobicContact CG-SD 4.19Å; E1499-M1502 PolarHBondContact O-N 2.86Å; M1502-V1505 PolarHBondContact O-N 3.41Å; M1502-I1506 WeakPolarHBondContact O-CB 3.43Å; M1502-I1506 WeakPolarHBondContact O-CD1 3.26Å; M1502-I1506 WeakPolarHBondContact O-CG1 3.43Å; M1502-I1506 PolarHBondContact O-N 3.33Å; M1502-N1573 HydrophobicContact CE-CB 3.45Å; M1502-N1573 VanDerWaalsContact CE-CB 3.45Å; M1502-N1573 VanDerWaalsContact CE-ND2 3.27Å; M1502-N1573 WeakPolarHBondContact CE-ND2 3.36Å; M1502-L1576 HydrophobicContact CE-CB 3.77Å; M1502-L1576 HydrophobicContact CE-CD2 3.95Å; M1502-L1576 HydrophobicContact CE-CG 4.33Å; M1502-L1576 HydrophobicContact SD-CD2 4.26Å |
| 1503 | D | 75.6 | Confident | 68 | Low | 60 Ų | 60 | 52 Ų | 52 | 32% | 0.321 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 177.8 | -73.2 | -25.8 | 0 | 0 | 0 | 111.8 | E1499 I1506 Q1507 R1575 | E1499-D1503 WeakPolarHBondContact O-CB 3.4Å; E1499-D1503 PolarHBondContact O-N 2.9Å; D1503-I1506 PolarHBondContact O-N 2.99Å; D1503-Q1507 VanDerWaalsContact O-CB 3.32Å; D1503-Q1507 WeakPolarHBondContact O-CB 3.34Å; D1503-Q1507 PolarHBondContact O-N 2.88Å; D1503-R1575 IonicContact OD1-CZ 2.66Å; D1503-R1575 IonicContact OD1-NH2 2.72Å; D1503-R1575 PolarHBondContact OD1-NH2 3.21Å |
| 1504 | N | 72.6 | Confident | 66.9 | Low | 54 Ų | 54 | 58.9 Ų | 58.9 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 173.7 | -73.1 | -19.4 | 0 | 0 | 0 | 111.4 | S1500 Q1507 I1508 | S1500-N1504 WeakPolarHBondContact O-CB 3.42Å; S1500-N1504 PolarHBondContact O-N 3.43Å; S1500-N1504 PolarHBondContact O-ND2 3.12Å; N1504-Q1507 PolarHBondContact O-N 3.18Å; N1504-I1508 VanDerWaalsContact O-CG1 3.26Å; N1504-I1508 WeakPolarHBondContact O-CG1 3.46Å; N1504-I1508 PolarHBondContact O-N 3.38Å |
| 1505 | V | 77.3 | Confident | 65.9 | Low | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.024 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 177.5 | 173 | 0 | 0 | 0 | 0 | 111.2 | M1475 V1488 L1501 M1502 Q1507 I1508 I1509 L1576 | M1475-V1505 HydrophobicContact CE-CG2 3.52Å; V1488-V1505 HydrophobicContact CB-CG1 4.49Å; V1488-V1505 HydrophobicContact CG1-CG1 4.43Å; V1488-V1505 HydrophobicContact CG2-CG1 3.87Å; L1501-V1505 WeakPolarHBondContact O-CG2 3.35Å; L1501-V1505 PolarHBondContact O-N 2.89Å; L1501-V1505 VanDerWaalsContact O-N 3.09Å; M1502-V1505 PolarHBondContact O-N 3.41Å; V1505-Q1507 VanDerWaalsContact C-N 3.33Å; V1505-Q1507 PolarHBondContact O-N 3.47Å; V1505-I1508 WeakPolarHBondContact O-CB 3.25Å; V1505-I1508 PolarHBondContact O-N 2.98Å; V1505-I1509 HydrophobicContact CG1-CD1 3.76Å; V1505-I1509 HydrophobicContact CG1-CG1 4.31Å; V1505-I1509 VanDerWaalsContact O-CG1 3.24Å; V1505-I1509 WeakPolarHBondContact O-CG1 3.4Å; V1505-I1509 PolarHBondContact O-N 3.32Å; V1505-L1576 HydrophobicContact CG1-CD1 4.06Å |
| 1506 | I | 77.5 | Confident | 65 | Low | 21 Ų | 21 | 65.2 Ų | 65.2 | 11% | 0.108 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 175 | -71.3 | 165.1 | 0 | 0 | 0 | 110.4 | M1502 D1503 I1508 I1509 N1510 R1575 L1576 A1579 | M1502-I1506 WeakPolarHBondContact O-CB 3.43Å; M1502-I1506 WeakPolarHBondContact O-CD1 3.26Å; M1502-I1506 WeakPolarHBondContact O-CG1 3.43Å; M1502-I1506 PolarHBondContact O-N 3.33Å; D1503-I1506 PolarHBondContact O-N 2.99Å; I1506-I1508 VanDerWaalsContact C-N 3.33Å; I1506-I1508 PolarHBondContact O-N 3.19Å; I1506-I1509 PolarHBondContact O-N 2.94Å; I1506-N1510 WeakPolarHBondContact CG2-ND2 3.45Å; I1506-N1510 WeakPolarHBondContact O-CB 3.28Å; I1506-N1510 PolarHBondContact O-N 3.23Å; I1506-N1510 PolarHBondContact O-ND2 3.41Å; I1506-R1575 HydrophobicContact CD1-CB 4.28Å; I1506-L1576 HydrophobicContact CG1-CD1 4.04Å; I1506-A1579 HydrophobicContact CG1-CB 4.38Å; I1506-A1579 HydrophobicContact CG2-CB 4.24Å |
| 1507 | Q | 77 | Confident | 64.1 | Low | 134 Ų | 134 | 65.5 Ų | 65.5 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 174.7 | -171.1 | 176.7 | 5.3 | 0 | 0 | 111.2 | D1503 N1504 V1505 N1510 S1511 | D1503-Q1507 VanDerWaalsContact O-CB 3.32Å; D1503-Q1507 WeakPolarHBondContact O-CB 3.34Å; D1503-Q1507 PolarHBondContact O-N 2.88Å; N1504-Q1507 PolarHBondContact O-N 3.18Å; V1505-Q1507 VanDerWaalsContact C-N 3.33Å; V1505-Q1507 PolarHBondContact O-N 3.47Å; Q1507-N1510 PolarHBondContact O-N 2.92Å; Q1507-S1511 WeakPolarHBondContact O-CB 3.25Å; Q1507-S1511 PolarHBondContact O-N 2.87Å; Q1507-S1511 PolarHBondContact O-OG 2.94Å |
| 1508 | I | 75 | Confident | 63.4 | Low | 54 Ų | 54 | 63.7 Ų | 63.7 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 173.1 | -67.1 | 163.6 | 0 | 0 | 0 | 109.9 | F1484 N1504 V1505 I1506 N1510 S1511 L1512 | F1484-I1508 HydrophobicContact CE2-CG2 3.82Å; F1484-I1508 HydrophobicContact CZ-CG2 4.16Å; N1504-I1508 VanDerWaalsContact O-CG1 3.26Å; N1504-I1508 WeakPolarHBondContact O-CG1 3.46Å; N1504-I1508 PolarHBondContact O-N 3.38Å; V1505-I1508 WeakPolarHBondContact O-CB 3.25Å; V1505-I1508 PolarHBondContact O-N 2.98Å; I1506-I1508 VanDerWaalsContact C-N 3.33Å; I1506-I1508 PolarHBondContact O-N 3.19Å; I1508-N1510 VanDerWaalsContact C-N 3.32Å; I1508-N1510 PolarHBondContact O-N 3.23Å; I1508-S1511 PolarHBondContact O-N 3.38Å; I1508-S1511 PolarHBondContact O-OG 3.34Å; I1508-L1512 HydrophobicContact CG2-CD1 3.8Å; I1508-L1512 VanDerWaalsContact O-CB 3.29Å; I1508-L1512 WeakPolarHBondContact O-CB 3.49Å; I1508-L1512 WeakPolarHBondContact O-CD1 3.5Å; I1508-L1512 WeakPolarHBondContact O-CG 3.09Å; I1508-L1512 PolarHBondContact O-N 3.26Å |
| 1509 | I | 75.9 | Confident | 62.7 | Low | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.1 | -38.6 | 177.7 | -68.2 | 164.6 | 0 | 0 | 0 | 112.1 | F1484 V1488 V1505 I1506 L1512 G1513 L1576 A1579 L1580 | F1484-I1509 HydrophobicContact CE1-CG1 4.22Å; F1484-I1509 HydrophobicContact CZ-CG1 3.88Å; V1488-I1509 HydrophobicContact CG1-CD1 4.43Å; V1488-I1509 HydrophobicContact CG2-CD1 4.4Å; V1505-I1509 HydrophobicContact CG1-CD1 3.76Å; V1505-I1509 HydrophobicContact CG1-CG1 4.31Å; V1505-I1509 VanDerWaalsContact O-CG1 3.24Å; V1505-I1509 WeakPolarHBondContact O-CG1 3.4Å; V1505-I1509 PolarHBondContact O-N 3.32Å; I1506-I1509 PolarHBondContact O-N 2.94Å; I1509-L1512 VanDerWaalsContact O-CB 3.29Å; I1509-L1512 WeakPolarHBondContact O-CB 3.36Å; I1509-G1513 PolarHBondContact O-N 3Å; I1509-L1576 HydrophobicContact CD1-CD1 3.61Å; I1509-A1579 HydrophobicContact CG2-CB 4.18Å; I1509-L1580 HydrophobicContact CD1-CD2 3.77Å; I1509-L1580 HydrophobicContact CD1-CG 4.13Å; I1509-L1580 HydrophobicContact CG1-CD2 4.22Å; I1509-L1580 HydrophobicContact CG2-CD2 4.26Å |
| 1510 | N | 73 | Confident | 61.2 | Low | 68 Ų | 68 | 65.3 Ų | 65.3 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.9 | -41.4 | 177.7 | -70.1 | -22 | 0 | 0 | 0 | 111.2 | I1506 Q1507 I1508 L1512 G1513 E1514 | I1506-N1510 WeakPolarHBondContact CG2-ND2 3.45Å; I1506-N1510 WeakPolarHBondContact O-CB 3.28Å; I1506-N1510 PolarHBondContact O-N 3.23Å; I1506-N1510 PolarHBondContact O-ND2 3.41Å; Q1507-N1510 PolarHBondContact O-N 2.92Å; I1508-N1510 VanDerWaalsContact C-N 3.32Å; I1508-N1510 PolarHBondContact O-N 3.23Å; N1510-L1512 PolarHBondContact O-N 2.82Å; N1510-G1513 WeakPolarHBondContact O-CA 3.35Å; N1510-G1513 PolarHBondContact O-N 3.44Å; N1510-E1514 PolarHBondContact O-N 3.33Å |
| 1511 | S | 69 | Low | 59.6 | Low | 55 Ų | 55 | 70.3 Ų | 70.3 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.2 | -34.5 | 175.1 | 73.8 | 0 | 0 | 0 | 0 | 112.3 | Q1507 I1508 G1513 E1514 N1515 | Q1507-S1511 WeakPolarHBondContact O-CB 3.25Å; Q1507-S1511 PolarHBondContact O-N 2.87Å; Q1507-S1511 PolarHBondContact O-OG 2.94Å; I1508-S1511 PolarHBondContact O-N 3.38Å; I1508-S1511 PolarHBondContact O-OG 3.34Å; S1511-G1513 PolarHBondContact O-N 2.88Å; S1511-E1514 PolarHBondContact O-N 3.19Å; S1511-N1515 PolarHBondContact O-N 3.48Å; S1511-N1515 VanDerWaalsContact O-N 3.1Å |
| 1512 | L | 63.8 | Low | 57.8 | Low | 39 Ų | 39 | 74.7 Ų | 74.7 | 20% | 0.204 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.9 | -15.9 | 170.8 | -91.2 | 159.7 | 0 | 0 | 0 | 113.4 | F1484 I1508 I1509 N1510 R1587 | F1484-L1512 HydrophobicContact CE1-CD1 4.11Å; F1484-L1512 HydrophobicContact CE2-CD1 4.02Å; F1484-L1512 HydrophobicContact CZ-CD1 3.61Å; I1508-L1512 HydrophobicContact CG2-CD1 3.8Å; I1508-L1512 VanDerWaalsContact O-CB 3.29Å; I1508-L1512 WeakPolarHBondContact O-CB 3.49Å; I1508-L1512 WeakPolarHBondContact O-CD1 3.5Å; I1508-L1512 WeakPolarHBondContact O-CG 3.09Å; I1508-L1512 PolarHBondContact O-N 3.26Å; I1509-L1512 VanDerWaalsContact O-CB 3.29Å; I1509-L1512 WeakPolarHBondContact O-CB 3.36Å; N1510-L1512 PolarHBondContact O-N 2.82Å; L1512-R1587 VanDerWaalsContact CB-NH2 3.27Å; L1512-R1587 PolarHBondContact O-NE 3.14Å; L1512-R1587 PolarHBondContact O-NH2 2.95Å |
| 1513 | G | 55.8 | Low | 55.6 | Low | 30 Ų | 30 | 81.6 Ų | 81.6 | 31% | 0.309 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -98.1 | -19.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1509 N1510 S1511 | I1509-G1513 PolarHBondContact O-N 3Å; N1510-G1513 WeakPolarHBondContact O-CA 3.35Å; N1510-G1513 PolarHBondContact O-N 3.44Å; S1511-G1513 PolarHBondContact O-N 2.88Å |
| 1514 | E | 53.9 | Low | 53.7 | Low | 162 Ų | 162 | 83.7 Ų | 83.7 | 76% | 0.757 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -108.5 | -26.9 | -172.7 | -69.4 | -176.1 | 172.8 | 0 | 0 | 114.3 | N1510 S1511 | N1510-E1514 PolarHBondContact O-N 3.33Å; S1511-E1514 PolarHBondContact O-N 3.19Å |
| 1515 | N | 44.5 | Very low | 51.7 | Low | 118 Ų | 118 | 87 Ų | 87 | 63% | 0.631 | 48% | 0.48 | S | S | * | . | trans | -118.4 | 114.8 | -172.9 | -68.7 | -28.8 | 0 | 0 | 0 | 112.5 | S1511 N1517 | S1511-N1515 PolarHBondContact O-N 3.48Å; S1511-N1515 VanDerWaalsContact O-N 3.1Å; N1515-N1517 PolarHBondContact O-N 3.2Å | ||
| 1516 | S | 41.1 | Very low | 49.5 | Very low | 90 Ų | 90 | 91.8 Ų | 91.8 | 63% | 0.629 | 51% | 0.509 | S | S | * | . | trans | -72.2 | 4.6 | 171.3 | 57.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1517 | N | 35.2 | Very low | 47.2 | Very low | 133 Ų | 133 | 98.6 Ų | 98.6 | 71% | 0.711 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -124.8 | 110.7 | -170.1 | -63.2 | -9.1 | 0 | 0 | 0 | 110.7 | N1515 | N1515-N1517 PolarHBondContact O-N 3.2Š|
| 1518 | G | 34.6 | Very low | 44.9 | Very low | 57 Ų | 57 | 96.7 Ų | 96.7 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | trans | 61.6 | 116.5 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | P1520 | G1518-P1520 WeakPolarHBondContact O-CD 3.28Š| ||
| 1519 | W | 37.6 | Very low | 42.6 | Very low | 116 Ų | 116 | 100.9 Ų | 100.9 | 44% | 0.439 | 57% | 0.568 | S | S | . | * | trans | -50.2 | 127.6 | 158.8 | -90.6 | 59.9 | 0 | 0 | 0 | 110.4 | I1521 | W1519-I1521 VanDerWaalsContact C-N 3.32Å; W1519-I1521 HydrophobicContact CB-CG1 4.08Å; W1519-I1521 HydrophobicContact CE3-CG1 4.24Å; W1519-I1521 PolarHBondContact O-N 3.4Å | ||
| 1520 | P | 31.3 | Very low | 40.2 | Very low | 102 Ų | 102 | 105.1 Ų | 105.1 | 66% | 0.662 | 60% | 0.604 | S | S | * | * | trans | -76.3 | 93.2 | 158.7 | 30.7 | -25.7 | 0 | 0 | 0 | 106.6 | G1518 T1522 | G1518-P1520 WeakPolarHBondContact O-CD 3.28Å; P1520-T1522 PolarHBondContact O-N 3.21Å; P1520-T1522 VanDerWaalsContact O-N 3.11Å | ||
| 1521 | I | 35.8 | Very low | 38 | Very low | 143 Ų | 143 | 108.3 Ų | 108.3 | 73% | 0.733 | 63% | 0.625 | S | S | * | * | trans | -69.9 | 8.5 | 163.2 | -62.1 | 175.8 | 0 | 0 | 0 | 110.2 | W1519 Q1523 | W1519-I1521 VanDerWaalsContact C-N 3.32Å; W1519-I1521 HydrophobicContact CB-CG1 4.08Å; W1519-I1521 HydrophobicContact CE3-CG1 4.24Å; W1519-I1521 PolarHBondContact O-N 3.4Å; I1521-Q1523 PolarHBondContact O-N 3.48Å | ||
| 1522 | T | 32.1 | Very low | 35.9 | Very low | 106 Ų | 106 | 112.3 Ų | 112.3 | 65% | 0.65 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -91.6 | 107.6 | -178.4 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | P1520 | P1520-T1522 PolarHBondContact O-N 3.21Å; P1520-T1522 VanDerWaalsContact O-N 3.11Å |
| 1523 | Q | 28.4 | Very low | 34.1 | Very low | 166 Ų | 166 | 117 Ų | 117 | 78% | 0.776 | 67% | 0.666 | S | S | * | * | trans | 68.5 | 84.9 | 150 | -61.6 | 177.4 | -22.9 | 0 | 0 | 117.4 | I1521 | I1521-Q1523 PolarHBondContact O-N 3.48Š| ||
| 1524 | I | 36.4 | Very low | 32.8 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 53% | 0.528 | 69% | 0.689 | S | S | . | * | trans | -107.6 | 27.4 | 153.4 | -46.1 | 178.7 | 0 | 0 | 0 | 109.8 | F1472 T1526 | F1472-I1524 HydrophobicContact CZ-CG2 3.99Å; I1524-T1526 PolarHBondContact O-N 3.12Å; I1524-T1526 VanDerWaalsContact O-N 3.16Å | ||
| 1525 | D | 31.5 | Very low | 31.5 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 67% | 0.668 | 69% | 0.691 | S | S | * | * | trans | -79 | 18.3 | 176.6 | -85.1 | -8.7 | 0 | 0 | 0 | 112.9 | ||||
| 1526 | T | 31 | Very low | 30.7 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 64% | 0.638 | 70% | 0.702 | S | S | * | * | trans | -150.3 | 72.2 | -171.9 | -7.2 | 0 | 0 | 0 | 0 | 114.2 | I1524 S1528 | I1524-T1526 PolarHBondContact O-N 3.12Å; I1524-T1526 VanDerWaalsContact O-N 3.16Å; T1526-S1528 VanDerWaalsContact C-N 3.3Å; T1526-S1528 PolarHBondContact O-N 3.43Å | ||
| 1527 | F | 27.8 | Very low | 30 | Very low | 164 Ų | 164 | 126.5 Ų | 126.5 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | trans | -91.4 | 73.3 | 147.7 | -97.5 | -84.5 | 0 | 0 | 0 | 108.9 | ||||
| 1528 | S | 29.5 | Very low | 29.5 | Very low | 93 Ų | 93 | 125.5 Ų | 125.5 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -149.3 | 113 | 160.5 | -80.1 | 0 | 0 | 0 | 0 | 107.3 | T1526 | T1526-S1528 VanDerWaalsContact C-N 3.3Å; T1526-S1528 PolarHBondContact O-N 3.43Å |
| 1529 | T | 27 | Very low | 29.2 | Very low | 142 Ų | 142 | 132.7 Ų | 132.7 | 87% | 0.871 | 73% | 0.732 | S | S | * | * | trans | 5 | 118.4 | 161.5 | 39 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1530 | A | 24.9 | Very low | 28.8 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | trans | 86.9 | 135.4 | 145.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1531 | V | 27.8 | Very low | 28.6 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | 92.5 | 83 | 156 | -162 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1532 | I | 25 | Very low | 28.2 | Very low | 140 Ų | 140 | 136 Ų | 136 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | 24.9 | 127.3 | 115.3 | -61.7 | 171.6 | 0 | 0 | 0 | 118.4 | |||||
| 1533 | N | 25 | Very low | 28.2 | Very low | 136 Ų | 136 | 138 Ų | 138 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 99.6 | 128.2 | 149.2 | -78.3 | -17.1 | 0 | 0 | 0 | 121.1 | ||||
| 1534 | Q | 28.2 | Very low | 28.1 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 77.8 | 135 | 156.2 | -61.5 | 162.6 | 12 | 0 | 0 | 115.2 | ||||
| 1535 | Q | 26.8 | Very low | 27.9 | Very low | 171 Ų | 171 | 135.5 Ų | 135.5 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | cis | -172 | 144.8 | 7 | -136.3 | 172.5 | -23.1 | 0 | 0 | 104.9 | ||||
| 1536 | P | 27.3 | Very low | 27.9 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 128.4 | -179.1 | 31.9 | -29.4 | 0 | 0 | 0 | 111.6 | ||
| 1537 | C | 26.6 | Very low | 27.7 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 136.6 | 168.3 | -82.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1538 | S | 26.1 | Very low | 27.9 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 137.1 | -174.2 | 46.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1539 | F | 27.6 | Very low | 27.8 | Very low | 208 Ų | 208 | 145.7 Ų | 145.7 | 91% | 0.912 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 132.6 | 157.4 | -98.6 | -89.8 | 0 | 0 | 0 | 108.9 | ||
| 1540 | D | 29.5 | Very low | 28 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 127.8 | 175.3 | -78.8 | -39.5 | 0 | 0 | 0 | 111.5 | ||
| 1541 | D | 26.3 | Very low | 28.3 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -69.2 | 113.9 | 171 | -88.8 | -38.5 | 0 | 0 | 0 | 111.4 | ||||
| 1542 | S | 28.2 | Very low | 28.7 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | trans | -170.9 | 82.2 | 148.5 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1543 | T | 31.6 | Very low | 28.8 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -166.4 | 124.2 | 140.8 | 36.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1544 | S | 26.8 | Very low | 29 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | trans | -60 | 141.5 | -172.1 | 46.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1545 | P | 31.1 | Very low | 29 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -92.6 | 102.2 | 170.8 | 34.4 | -25.9 | 0 | 0 | 0 | 110.1 | C1547 | P1545-C1547 PolarHBondContact O-N 3.15Š| ||
| 1546 | D | 31.1 | Very low | 29.3 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -88.8 | 103.5 | 167.2 | -84.6 | -30.8 | 0 | 0 | 0 | 109.9 | L1548 | D1546-L1548 PolarHBondContact O-N 3.24Š| ||
| 1547 | C | 28.2 | Very low | 29.7 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -64 | 111.7 | 171.6 | -78.6 | 0 | 0 | 0 | 0 | 111.7 | P1545 R1549 | P1545-C1547 PolarHBondContact O-N 3.15Å; C1547-R1549 PolarHBondContact O-N 2.84Å | ||
| 1548 | L | 31.2 | Very low | 30.8 | Very low | 178 Ų | 178 | 126.5 Ų | 126.5 | 93% | 0.932 | 76% | 0.763 | S | S | * | * | trans | -83.8 | 106.2 | 163.3 | -76.2 | 171.1 | 0 | 0 | 0 | 110.4 | D1546 G1550 | D1546-L1548 PolarHBondContact O-N 3.24Å; L1548-G1550 PolarHBondContact O-N 3.36Å; L1548-G1550 VanDerWaalsContact O-N 3.12Å | ||
| 1549 | R | 28.4 | Very low | 31.9 | Very low | 249 Ų | 249 | 127.6 Ų | 127.6 | 94% | 0.94 | 77% | 0.765 | S | S | * | * | trans | -71.5 | 91 | 175.8 | -159.1 | 178.5 | -166.3 | -147.6 | 4.3 | 109.7 | C1547 | C1547-R1549 PolarHBondContact O-N 2.84Š| ||
| 1550 | G | 30.8 | Very low | 33.6 | Very low | 59 Ų | 59 | 120.1 Ų | 120.1 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | trans | -81.9 | 142.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1548 C1552 | L1548-G1550 PolarHBondContact O-N 3.36Å; L1548-G1550 VanDerWaalsContact O-N 3.12Å; G1550-C1552 PolarHBondContact O-N 2.71Å | ||
| 1551 | S | 31.5 | Very low | 35.4 | Very low | 131 Ų | 131 | 118.9 Ų | 118.9 | 92% | 0.916 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -63.9 | 19 | -163.2 | -52.7 | 0 | 0 | 0 | 0 | 118.7 | ||
| 1552 | C | 35.4 | Very low | 37.3 | Very low | 114 Ų | 114 | 111.4 Ų | 111.4 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -110.8 | 96.1 | 175.7 | -45.5 | 0 | 0 | 0 | 0 | 108.2 | G1550 G1554 | G1550-C1552 PolarHBondContact O-N 2.71Å; C1552-G1554 PolarHBondContact O-N 3.32Å |
| 1553 | G | 27.7 | Very low | 39.4 | Very low | 96 Ų | 96 | 110.4 Ų | 110.4 | 99% | 0.99 | 68% | 0.682 | S | S | * | * | trans | -57 | 95.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1554 | G | 29.6 | Very low | 41.4 | Very low | 50 Ų | 50 | 104.3 Ų | 104.3 | 52% | 0.515 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -179.1 | 116.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | C1552 L1556 | C1552-G1554 PolarHBondContact O-N 3.32Å; G1554-L1556 VanDerWaalsContact C-N 3.27Å; G1554-L1556 PolarHBondContact O-N 3.26Å |
| 1555 | S | 26.7 | Very low | 43.8 | Very low | 110 Ų | 110 | 102.6 Ų | 102.6 | 77% | 0.769 | 63% | 0.627 | S | S | * | * | trans | -66.5 | 83.4 | 177.8 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | L1557 | S1555-L1557 PolarHBondContact O-N 2.99Š| ||
| 1556 | L | 34.7 | Very low | 46.1 | Very low | 86 Ų | 86 | 101.5 Ų | 101.5 | 45% | 0.45 | 62% | 0.615 | S | S | . | * | trans | -89.9 | 87.2 | 165.4 | -76 | 170.2 | 0 | 0 | 0 | 108.2 | G1554 H1558 R1587 | G1554-L1556 VanDerWaalsContact C-N 3.27Å; G1554-L1556 PolarHBondContact O-N 3.26Å; L1556-H1558 PolarHBondContact O-N 3.17Å; L1556-R1587 HydrophobicContact CD2-CB 4.01Å; L1556-R1587 HydrophobicContact CD2-CG 4.13Å | ||
| 1557 | L | 35.9 | Very low | 48.6 | Very low | 97 Ų | 97 | 94.5 Ų | 94.5 | 51% | 0.508 | 58% | 0.577 | S | S | . | * | trans | -53 | 128.7 | 158.6 | -86 | 155.4 | 0 | 0 | 0 | 108.5 | S1555 | S1555-L1557 PolarHBondContact O-N 2.99Š| ||
| 1558 | H | 48.1 | Very low | 51.3 | Low | 98 Ų | 98 | 89.2 Ų | 89.2 | 45% | 0.454 | 54% | 0.541 | S | S | . | . | S | Bend | trans | 82.7 | 94 | 177.1 | -50.7 | -67 | 0 | 0 | 0 | 115.8 | L1556 T1560 | L1556-H1558 PolarHBondContact O-N 3.17Å; H1558-T1560 PolarHBondContact O-N 3.02Å; H1558-T1560 VanDerWaalsContact O-N 3.11Å |
| 1559 | T | 50.6 | Low | 53.9 | Low | 135 Ų | 135 | 84 Ų | 84 | 83% | 0.828 | 52% | 0.517 | S | S | * | . | trans | -61.9 | 99.7 | 170.9 | 47.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1560 | T | 63 | Low | 56.6 | Low | 52 Ų | 52 | 74.5 Ų | 74.5 | 32% | 0.319 | 48% | 0.482 | S | S | . | . | trans | -73.8 | 139.1 | 160.5 | 70.1 | 0 | 0 | 0 | 0 | 107.6 | F1484 Y1485 H1558 D1562 | F1484-T1560 HydrophobicContact CB-CG2 3.68Å; F1484-T1560 HydrophobicContact CG-CG2 4.45Å; Y1485-T1560 HydrophobicContact CE2-CG2 4.49Å; H1558-T1560 PolarHBondContact O-N 3.02Å; H1558-T1560 VanDerWaalsContact O-N 3.11Å; T1560-D1562 WeakPolarHBondContact CB-OD1 3.26Å; T1560-D1562 PolarHBondContact O-N 3.15Å; T1560-D1562 PolarHBondContact OG1-OD1 2.96Å | ||
| 1561 | L | 66.2 | Low | 59.3 | Low | 131 Ų | 131 | 71.9 Ų | 71.9 | 69% | 0.686 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -80.4 | -6.7 | -175.6 | -75.9 | 166 | 0 | 0 | 0 | 112.8 | L1481 G1482 L1483 | L1481-L1561 WeakPolarHBondContact O-CD1 3.43Å; G1482-L1561 PolarHBondContact O-N 3.09Å; L1483-L1561 HydrophobicContact CD2-CB 3.86Å |
| 1562 | D | 67.3 | Low | 61.8 | Low | 9 Ų | 9 | 67.3 Ų | 67.3 | 5% | 0.048 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -91.6 | 144.8 | 179.2 | 44.2 | 10.9 | 0 | 0 | 0 | 112.6 | L1483 F1484 Y1485 E1486 T1560 P1564 L1567 | L1483-D1562 WeakPolarHBondContact CA-OD2 3.47Å; L1483-D1562 HydrophobicContact CD2-CB 3.82Å; F1484-D1562 PolarHBondContact N-OD2 2.99Å; Y1485-D1562 VanDerWaalsContact CA-OD2 3.31Å; Y1485-D1562 WeakPolarHBondContact CA-OD2 3.47Å; Y1485-D1562 VanDerWaalsContact CB-OD2 3.3Å; Y1485-D1562 WeakPolarHBondContact CB-OD2 3.26Å; Y1485-D1562 WeakPolarHBondContact CD2-OD1 3.49Å; Y1485-D1562 PolarHBondContact N-OD2 3.5Å; E1486-D1562 HydrophobicContact CG-CB 4.39Å; E1486-D1562 PolarHBondContact N-OD2 2.84Å; T1560-D1562 WeakPolarHBondContact CB-OD1 3.26Å; T1560-D1562 PolarHBondContact O-N 3.15Å; T1560-D1562 PolarHBondContact OG1-OD1 2.96Å; D1562-P1564 WeakPolarHBondContact O-CD 3.4Å; D1562-L1567 HydrophobicContact CB-CD1 4.08Å |
| 1563 | C | 70.9 | Confident | 64.2 | Low | 86 Ų | 86 | 63.7 Ų | 63.7 | 58% | 0.581 | 39% | 0.39 | S | S | * | . | trans | -83.9 | 99.2 | 171.1 | -70.8 | 0 | 0 | 0 | 0 | 108.6 | D1565 N1566 | C1563-D1565 PolarHBondContact O-N 3.41Å; C1563-N1566 PolarHBondContact O-N 3.45Å; C1563-N1566 VanDerWaalsContact O-N 3.13Å | ||
| 1564 | P | 74.7 | Confident | 67 | Low | 18 Ų | 18 | 62.3 Ų | 62.3 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.2 | -31.1 | -174.2 | 21.7 | -33.6 | 0 | 0 | 0 | 112.3 | Y1485 D1562 N1566 L1567 I1568 | Y1485-P1564 HydrophobicContact CD1-CB 3.91Å; Y1485-P1564 HydrophobicContact CD2-CB 3.82Å; Y1485-P1564 HydrophobicContact CD2-CG 4.48Å; Y1485-P1564 HydrophobicContact CE1-CB 3.85Å; Y1485-P1564 HydrophobicContact CE2-CB 3.77Å; Y1485-P1564 HydrophobicContact CE2-CG 4.15Å; Y1485-P1564 HydrophobicContact CG-CB 3.88Å; D1562-P1564 WeakPolarHBondContact O-CD 3.4Å; P1564-N1566 VanDerWaalsContact C-N 3.3Å; P1564-N1566 PolarHBondContact O-N 3.46Å; P1564-L1567 PolarHBondContact O-N 2.84Å; P1564-I1568 WeakPolarHBondContact O-CG1 3.47Å; P1564-I1568 PolarHBondContact O-N 3.13Å |
| 1565 | D | 76 | Confident | 69.7 | Low | 63 Ų | 63 | 65.5 Ų | 65.5 | 34% | 0.337 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.5 | -37.1 | -179.4 | -76.7 | -21.4 | 0 | 0 | 0 | 114.1 | C1563 L1567 K1595 | C1563-D1565 PolarHBondContact O-N 3.41Å; D1565-L1567 VanDerWaalsContact C-N 3.28Å; D1565-K1595 WeakPolarHBondContact OD1-CD 3.38Å; D1565-K1595 IonicContact OD1-NZ 3.87Å; D1565-K1595 PolarHBondContact OD1-NZ 3.37Å; D1565-K1595 IonicContact OD2-NZ 3.98Å; D1565-K1595 PolarHBondContact OD2-NZ 2.73Å |
| 1566 | N | 80.6 | Confident | 72.5 | Confident | 96 Ų | 96 | 60.2 Ų | 60.2 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -77.6 | -18.1 | 179.3 | -69.9 | -10.4 | 0 | 0 | 0 | 112.2 | C1563 P1564 P1569 Y1570 | C1563-N1566 PolarHBondContact O-N 3.45Å; C1563-N1566 VanDerWaalsContact O-N 3.13Å; P1564-N1566 VanDerWaalsContact C-N 3.3Å; P1564-N1566 PolarHBondContact O-N 3.46Å; N1566-P1569 WeakPolarHBondContact O-CD 3.25Å; N1566-Y1570 WeakPolarHBondContact O-CE2 3.47Å |
| 1567 | L | 83.6 | Confident | 75 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -96.3 | -20.1 | -174.5 | -63.3 | 170.2 | 0 | 0 | 0 | 113.2 | E1486 V1489 D1562 P1564 D1565 P1569 Y1570 Y1625 Y1628 | E1486-L1567 HydrophobicContact CB-CD1 4.49Å; E1486-L1567 HydrophobicContact CG-CD1 3.58Å; E1486-L1567 HydrophobicContact CG-CD2 4.04Å; E1486-L1567 HydrophobicContact CG-CG 4.47Å; V1489-L1567 HydrophobicContact CG2-CB 4.28Å; D1562-L1567 HydrophobicContact CB-CD1 4.08Å; P1564-L1567 PolarHBondContact O-N 2.84Å; D1565-L1567 VanDerWaalsContact C-N 3.28Å; L1567-P1569 VanDerWaalsContact C-N 3.32Å; L1567-Y1570 HydrophobicContact CD2-CD2 4.41Å; L1567-Y1570 PolarHBondContact O-N 3.31Å; L1567-Y1625 HydrophobicContact CD2-CD2 4.28Å; L1567-Y1625 HydrophobicContact CD2-CE2 3.6Å; L1567-Y1628 HydrophobicContact CD2-CE1 4.05Å |
| 1568 | I | 83.7 | Confident | 77.4 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 6% | 0.062 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -51.9 | -41.1 | 178.3 | -51.5 | -173.1 | 0 | 0 | 0 | 113.3 | P1564 Y1570 L1571 K1595 F1596 R1599 | P1564-I1568 WeakPolarHBondContact O-CG1 3.47Å; P1564-I1568 PolarHBondContact O-N 3.13Å; I1568-Y1570 PolarHBondContact O-N 2.92Å; I1568-L1571 PolarHBondContact O-N 2.89Å; I1568-K1595 HydrophobicContact CD1-CB 3.51Å; I1568-K1595 HydrophobicContact CD1-CD 3.91Å; I1568-K1595 HydrophobicContact CD1-CG 4.37Å; I1568-F1596 HydrophobicContact CD1-CD1 4.3Å; I1568-F1596 HydrophobicContact CD1-CE1 4.03Å; I1568-F1596 HydrophobicContact CD1-CZ 4.36Å; I1568-F1596 HydrophobicContact CG1-CD1 4.37Å; I1568-F1596 HydrophobicContact CG1-CE1 3.87Å; I1568-F1596 HydrophobicContact CG1-CZ 4.45Å; I1568-F1596 HydrophobicContact CG2-CD1 4.1Å; I1568-F1596 HydrophobicContact CG2-CE1 4.35Å; I1568-R1599 HydrophobicContact CG2-CB 3.98Å; I1568-R1599 HydrophobicContact CG2-CG 4.3Å |
| 1569 | P | 86 | Confident | 79.2 | Confident | 67 Ų | 67 | 49.2 Ų | 49.2 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -60.8 | -29.7 | 179.4 | -24.3 | 35.7 | 0 | 0 | 0 | 113.6 | N1566 L1567 R1599 L1621 | N1566-P1569 WeakPolarHBondContact O-CD 3.25Å; L1567-P1569 VanDerWaalsContact C-N 3.32Å; P1569-R1599 VanDerWaalsContact O-CZ 3.29Å; P1569-R1599 PolarHBondContact O-NE 3.33Å; P1569-R1599 PolarHBondContact O-NH2 2.97Å; P1569-L1621 WeakPolarHBondContact O-CD2 3.41Å |
| 1570 | Y | 86.2 | Confident | 80.9 | Confident | 51 Ų | 51 | 43.1 Ų | 43.1 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -81.5 | -15.9 | -176.7 | -55.7 | -66.4 | 0 | 0 | 0 | 113.4 | Q1492 N1566 L1567 I1568 W1572 Y1625 Y1628 | Q1492-Y1570 PolarHBondContact OE1-O 3.04Å; N1566-Y1570 WeakPolarHBondContact O-CE2 3.47Å; L1567-Y1570 HydrophobicContact CD2-CD2 4.41Å; L1567-Y1570 PolarHBondContact O-N 3.31Å; I1568-Y1570 PolarHBondContact O-N 2.92Å; Y1570-W1572 PolarHBondContact O-N 2.88Å; Y1570-Y1625 AromaticContact CD2-CD2 3.75Å; Y1570-Y1625 HydrophobicContact CD2-CD2 3.75Å; Y1570-Y1625 HydrophobicContact CE2-CD2 4.26Å; Y1570-Y1625 AromaticContact CG-CD2 3.9Å; Y1570-Y1625 HydrophobicContact CG-CD2 3.9Å; Y1570-Y1625 HydrophobicContact CG-CG 4.24Å; Y1570-Y1628 HydrophobicContact CE2-CG 4.49Å |
| 1571 | L | 86.6 | Confident | 82 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | trans | -75.8 | 122 | 177.8 | -65.6 | 171.9 | 0 | 0 | 0 | 111.2 | V1488 V1489 I1568 L1576 L1577 L1580 F1596 R1599 | V1488-L1571 HydrophobicContact CG1-CD2 4.25Å; V1489-L1571 HydrophobicContact CB-CD2 4.41Å; V1489-L1571 HydrophobicContact CG2-CD2 3.7Å; V1489-L1571 HydrophobicContact CG2-CG 4.11Å; I1568-L1571 PolarHBondContact O-N 2.89Å; L1571-L1576 HydrophobicContact CD2-CD2 3.91Å; L1571-L1577 HydrophobicContact CB-CD2 3.71Å; L1571-L1577 HydrophobicContact CB-CG 4.1Å; L1571-L1577 HydrophobicContact CD1-CD2 3.92Å; L1571-L1577 HydrophobicContact CG-CD2 4.49Å; L1571-L1580 HydrophobicContact CD1-CD1 3.6Å; L1571-F1596 HydrophobicContact CD1-CE1 4.01Å; L1571-R1599 PolarHBondContact O-NE 3.39Å | ||
| 1572 | W | 85.6 | Confident | 82.9 | Confident | 34 Ų | 34 | 43.7 Ų | 43.7 | 13% | 0.129 | 22% | 0.22 | C | C | . | . | trans | -118.7 | -19.3 | 178.1 | 56.5 | -100.4 | 0 | 0 | 0 | 114.9 | Q1492 Y1570 I1574 L1605 R1618 L1621 N1622 | Q1492-W1572 HydrophobicContact CB-CZ2 3.83Å; Q1492-W1572 VanDerWaalsContact O-CZ2 3.25Å; Q1492-W1572 WeakPolarHBondContact O-CZ2 3.38Å; Y1570-W1572 PolarHBondContact O-N 2.88Å; W1572-I1574 PolarHBondContact O-N 3.22Å; W1572-L1605 HydrophobicContact CB-CD2 3.46Å; W1572-L1605 VanDerWaalsContact CB-CD2 3.46Å; W1572-R1618 HydrophobicContact CD2-CB 4.41Å; W1572-R1618 HydrophobicContact CD2-CG 3.59Å; W1572-R1618 HydrophobicContact CE3-CG 3.62Å; W1572-R1618 HydrophobicContact CG-CG 4.09Å; W1572-R1618 HydrophobicContact CH2-CG 4.1Å; W1572-R1618 HydrophobicContact CZ2-CB 4.47Å; W1572-R1618 HydrophobicContact CZ2-CG 4.04Å; W1572-R1618 HydrophobicContact CZ3-CG 3.9Å; W1572-L1621 HydrophobicContact CB-CD1 3.79Å; W1572-L1621 HydrophobicContact CG-CD1 4.45Å; W1572-N1622 PolarHBondContact NE1-OD1 3.26Å | ||
| 1573 | N | 85.5 | Confident | 83.7 | Confident | 38 Ų | 38 | 43.8 Ų | 43.8 | 20% | 0.203 | 22% | 0.221 | C | C | . | . | trans | -77.5 | 117.8 | -179.7 | -169.7 | -60.9 | 0 | 0 | 0 | 111.7 | Q1492 M1502 R1575 L1576 L1577 | Q1492-N1573 HydrophobicContact CG-CB 4.38Å; M1502-N1573 HydrophobicContact CE-CB 3.45Å; M1502-N1573 VanDerWaalsContact CE-CB 3.45Å; M1502-N1573 VanDerWaalsContact CE-ND2 3.27Å; M1502-N1573 WeakPolarHBondContact CE-ND2 3.36Å; N1573-R1575 PolarHBondContact O-N 3.04Å; N1573-R1575 WeakPolarHBondContact OD1-CB 3.33Å; N1573-R1575 PolarHBondContact OD1-N 3.23Å; N1573-L1576 HydrophobicContact CB-CB 4.15Å; N1573-L1576 PolarHBondContact O-N 3.5Å; N1573-L1576 PolarHBondContact OD1-N 2.91Å; N1573-L1577 PolarHBondContact O-N 3.02Å | ||
| 1574 | I | 86.2 | Confident | 84.2 | Confident | 68 Ų | 68 | 39.9 Ų | 39.9 | 35% | 0.349 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.6 | -38.8 | -177.2 | -61.4 | 163.5 | 0 | 0 | 0 | 112.3 | W1572 L1576 L1577 S1578 L1605 A1607 | W1572-I1574 PolarHBondContact O-N 3.22Å; I1574-L1576 VanDerWaalsContact C-N 3.34Å; I1574-L1576 PolarHBondContact O-N 3.38Å; I1574-L1577 PolarHBondContact O-N 3.35Å; I1574-S1578 WeakPolarHBondContact O-CB 3.21Å; I1574-S1578 PolarHBondContact O-N 3.05Å; I1574-S1578 PolarHBondContact O-OG 3.44Å; I1574-L1605 WeakPolarHBondContact CD1-O 3.32Å; I1574-A1607 HydrophobicContact CD1-CB 3.9Å |
| 1575 | R | 86.2 | Confident | 84.6 | Confident | 116 Ų | 116 | 41.6 Ų | 41.6 | 44% | 0.438 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.5 | -46 | 178.7 | -73 | 174.8 | 64.1 | 169.2 | -5.6 | 110.2 | E1499 D1503 I1506 N1573 S1578 A1579 | E1499-R1575 IonicContact OE1-CZ 3.16Å; E1499-R1575 IonicContact OE1-NH1 3.07Å; E1499-R1575 PolarHBondContact OE1-NH1 3.29Å; E1499-R1575 IonicContact OE2-CZ 3.69Å; E1499-R1575 IonicContact OE2-NH1 3.78Å; E1499-R1575 PolarHBondContact OE2-NH1 3.26Å; E1499-R1575 IonicContact OE2-NH2 3.67Å; D1503-R1575 IonicContact OD1-CZ 2.66Å; D1503-R1575 IonicContact OD1-NH2 2.72Å; D1503-R1575 PolarHBondContact OD1-NH2 3.21Å; I1506-R1575 HydrophobicContact CD1-CB 4.28Å; N1573-R1575 PolarHBondContact O-N 3.04Å; N1573-R1575 WeakPolarHBondContact OD1-CB 3.33Å; N1573-R1575 PolarHBondContact OD1-N 3.23Å; R1575-S1578 PolarHBondContact O-N 3.08Å; R1575-S1578 PolarHBondContact O-OG 3.34Å; R1575-A1579 PolarHBondContact O-N 2.99Å |
| 1576 | L | 85.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -45.7 | 178.5 | -170 | 67.9 | 0 | 0 | 0 | 112.1 | V1488 Q1492 M1502 V1505 I1506 I1509 L1571 N1573 I1574 S1578 A1579 L1580 | V1488-L1576 HydrophobicContact CG1-CD1 3.97Å; V1488-L1576 HydrophobicContact CG1-CD2 3.6Å; V1488-L1576 HydrophobicContact CG1-CG 3.95Å; Q1492-L1576 HydrophobicContact CG-CD2 3.9Å; M1502-L1576 HydrophobicContact CE-CB 3.77Å; M1502-L1576 HydrophobicContact CE-CD2 3.95Å; M1502-L1576 HydrophobicContact CE-CG 4.33Å; M1502-L1576 HydrophobicContact SD-CD2 4.26Å; V1505-L1576 HydrophobicContact CG1-CD1 4.06Å; I1506-L1576 HydrophobicContact CG1-CD1 4.04Å; I1509-L1576 HydrophobicContact CD1-CD1 3.61Å; L1571-L1576 HydrophobicContact CD2-CD2 3.91Å; N1573-L1576 HydrophobicContact CB-CB 4.15Å; N1573-L1576 PolarHBondContact O-N 3.5Å; N1573-L1576 PolarHBondContact OD1-N 2.91Å; I1574-L1576 VanDerWaalsContact C-N 3.34Å; I1574-L1576 PolarHBondContact O-N 3.38Å; L1576-S1578 VanDerWaalsContact C-N 3.28Å; L1576-S1578 PolarHBondContact O-N 3.39Å; L1576-A1579 PolarHBondContact O-N 3.46Å; L1576-L1580 HydrophobicContact CG-CD1 4.44Å; L1576-L1580 WeakPolarHBondContact O-CG 3.3Å; L1576-L1580 PolarHBondContact O-N 3.18Å |
| 1577 | L | 87.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59 | -39.6 | 174.8 | -78.3 | 168.4 | 0 | 0 | 0 | 111.8 | L1571 N1573 I1574 L1580 E1581 F1596 R1599 I1600 L1605 | L1571-L1577 HydrophobicContact CB-CD2 3.71Å; L1571-L1577 HydrophobicContact CB-CG 4.1Å; L1571-L1577 HydrophobicContact CD1-CD2 3.92Å; L1571-L1577 HydrophobicContact CG-CD2 4.49Å; N1573-L1577 PolarHBondContact O-N 3.02Å; I1574-L1577 PolarHBondContact O-N 3.35Å; L1577-L1580 PolarHBondContact O-N 2.99Å; L1577-E1581 VanDerWaalsContact O-CB 3.28Å; L1577-E1581 WeakPolarHBondContact O-CB 3.45Å; L1577-E1581 PolarHBondContact O-N 2.89Å; L1577-F1596 HydrophobicContact CD2-CD1 3.9Å; L1577-R1599 HydrophobicContact CD1-CG 3.96Å; L1577-R1599 HydrophobicContact CD2-CB 4.33Å; L1577-R1599 HydrophobicContact CD2-CG 4.16Å; L1577-I1600 HydrophobicContact CB-CD1 4.01Å; L1577-I1600 HydrophobicContact CB-CG1 3.64Å; L1577-I1600 HydrophobicContact CD1-CG1 4.17Å; L1577-I1600 HydrophobicContact CG-CG1 4.44Å; L1577-L1605 HydrophobicContact CD1-CD1 4.22Å |
| 1578 | S | 86.9 | Confident | 84.3 | Confident | 44 Ų | 44 | 45.2 Ų | 45.2 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.9 | -35.6 | 177.2 | 77.8 | 0 | 0 | 0 | 0 | 113 | I1574 R1575 L1576 R1582 | I1574-S1578 WeakPolarHBondContact O-CB 3.21Å; I1574-S1578 PolarHBondContact O-N 3.05Å; I1574-S1578 PolarHBondContact O-OG 3.44Å; R1575-S1578 PolarHBondContact O-N 3.08Å; R1575-S1578 PolarHBondContact O-OG 3.34Å; L1576-S1578 VanDerWaalsContact C-N 3.28Å; L1576-S1578 PolarHBondContact O-N 3.39Å; S1578-R1582 WeakPolarHBondContact O-CB 3.41Å; S1578-R1582 PolarHBondContact O-N 3.33Å |
| 1579 | A | 85.3 | Confident | 84.1 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.8 | -41.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1506 I1509 R1575 L1576 R1582 S1583 | I1506-A1579 HydrophobicContact CG1-CB 4.38Å; I1506-A1579 HydrophobicContact CG2-CB 4.24Å; I1509-A1579 HydrophobicContact CG2-CB 4.18Å; R1575-A1579 PolarHBondContact O-N 2.99Å; L1576-A1579 PolarHBondContact O-N 3.46Å; A1579-R1582 PolarHBondContact O-N 3Å; A1579-S1583 VanDerWaalsContact O-CB 3.28Å; A1579-S1583 WeakPolarHBondContact O-CB 3.42Å; A1579-S1583 PolarHBondContact O-N 2.9Å |
| 1580 | L | 85.5 | Confident | 83.9 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 174.4 | -71.5 | 172.6 | 0 | 0 | 0 | 112.2 | Y1485 V1488 I1509 L1571 L1576 L1577 S1583 A1584 F1596 | Y1485-L1580 HydrophobicContact CE1-CD2 4.09Å; V1488-L1580 HydrophobicContact CG1-CD1 4.13Å; I1509-L1580 HydrophobicContact CD1-CD2 3.77Å; I1509-L1580 HydrophobicContact CD1-CG 4.13Å; I1509-L1580 HydrophobicContact CG1-CD2 4.22Å; I1509-L1580 HydrophobicContact CG2-CD2 4.26Å; L1571-L1580 HydrophobicContact CD1-CD1 3.6Å; L1576-L1580 HydrophobicContact CG-CD1 4.44Å; L1576-L1580 WeakPolarHBondContact O-CG 3.3Å; L1576-L1580 PolarHBondContact O-N 3.18Å; L1577-L1580 PolarHBondContact O-N 2.99Å; L1580-S1583 PolarHBondContact O-N 3.36Å; L1580-A1584 WeakPolarHBondContact O-CB 3.43Å; L1580-A1584 PolarHBondContact O-N 2.94Å; L1580-F1596 HydrophobicContact CB-CD1 4.33Å; L1580-F1596 HydrophobicContact CB-CD2 4.19Å; L1580-F1596 HydrophobicContact CB-CE1 4.18Å; L1580-F1596 HydrophobicContact CB-CE2 4.03Å; L1580-F1596 HydrophobicContact CB-CG 4.36Å; L1580-F1596 HydrophobicContact CB-CZ 4.04Å; L1580-F1596 HydrophobicContact CD1-CE1 3.92Å; L1580-F1596 HydrophobicContact CD1-CZ 4.16Å |
| 1581 | E | 86.7 | Confident | 83.7 | Confident | 47 Ų | 47 | 51.2 Ų | 51.2 | 22% | 0.22 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 175.7 | -172.3 | -82.9 | 155.6 | 0 | 0 | 111.2 | L1577 A1584 S1585 S1593 F1596 I1600 | L1577-E1581 VanDerWaalsContact O-CB 3.28Å; L1577-E1581 WeakPolarHBondContact O-CB 3.45Å; L1577-E1581 PolarHBondContact O-N 2.89Å; E1581-A1584 PolarHBondContact O-N 2.88Å; E1581-S1585 VanDerWaalsContact O-CB 3.26Å; E1581-S1585 WeakPolarHBondContact O-CB 3.46Å; E1581-S1585 PolarHBondContact O-N 3.13Å; E1581-S1593 PolarHBondContact OE1-OG 3.39Å; E1581-F1596 HydrophobicContact CB-CB 3.97Å; E1581-F1596 HydrophobicContact CG-CB 4.36Å; E1581-I1600 HydrophobicContact CB-CD1 4.35Å |
| 1582 | R | 86.1 | Confident | 83.5 | Confident | 149 Ų | 149 | 52.8 Ų | 52.8 | 56% | 0.562 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.5 | -43 | 176 | -173.4 | 177.6 | -81.2 | 124.6 | -5.4 | 111.7 | S1578 A1579 S1585 N1586 | S1578-R1582 WeakPolarHBondContact O-CB 3.41Å; S1578-R1582 PolarHBondContact O-N 3.33Å; A1579-R1582 PolarHBondContact O-N 3Å; R1582-S1585 PolarHBondContact O-N 2.98Å; R1582-N1586 WeakPolarHBondContact O-CB 3.47Å; R1582-N1586 PolarHBondContact O-N 3.04Å; R1582-N1586 PolarHBondContact O-OD1 2.92Å |
| 1583 | S | 83.1 | Confident | 83.5 | Confident | 11 Ų | 11 | 51.7 Ų | 51.7 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.7 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | A1579 L1580 S1585 N1586 R1587 | A1579-S1583 VanDerWaalsContact O-CB 3.28Å; A1579-S1583 WeakPolarHBondContact O-CB 3.42Å; A1579-S1583 PolarHBondContact O-N 2.9Å; L1580-S1583 PolarHBondContact O-N 3.36Å; S1583-S1585 PolarHBondContact O-N 3.15Å; S1583-N1586 PolarHBondContact O-N 3.5Å; S1583-R1587 WeakPolarHBondContact O-CB 3.39Å; S1583-R1587 WeakPolarHBondContact O-CD 3.39Å; S1583-R1587 VanDerWaalsContact O-CG 3.23Å; S1583-R1587 WeakPolarHBondContact O-CG 3.18Å; S1583-R1587 PolarHBondContact O-N 3.44Å |
| 1584 | A | 81.8 | Confident | 83.5 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L1580 E1581 R1587 G1588 A1589 Q1592 F1596 | L1580-A1584 WeakPolarHBondContact O-CB 3.43Å; L1580-A1584 PolarHBondContact O-N 2.94Å; E1581-A1584 PolarHBondContact O-N 2.88Å; A1584-R1587 PolarHBondContact O-N 3.21Å; A1584-G1588 PolarHBondContact O-N 3Å; A1584-A1589 HydrophobicContact CB-CB 4.39Å; A1584-A1589 PolarHBondContact O-N 3.42Å; A1584-Q1592 HydrophobicContact CB-CB 4.25Å; A1584-F1596 HydrophobicContact CB-CD2 4.26Å; A1584-F1596 HydrophobicContact CB-CE2 4.29Å |
| 1585 | S | 83.4 | Confident | 83.6 | Confident | 54 Ų | 54 | 54 Ų | 54 | 38% | 0.378 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 174.8 | -170.5 | 0 | 0 | 0 | 0 | 111.5 | E1581 R1582 S1583 R1587 G1588 | E1581-S1585 VanDerWaalsContact O-CB 3.26Å; E1581-S1585 WeakPolarHBondContact O-CB 3.46Å; E1581-S1585 PolarHBondContact O-N 3.13Å; R1582-S1585 PolarHBondContact O-N 2.98Å; S1583-S1585 PolarHBondContact O-N 3.15Å; S1585-R1587 VanDerWaalsContact C-N 3.26Å; S1585-R1587 PolarHBondContact O-N 3.03Å; S1585-G1588 PolarHBondContact O-N 3.31Å |
| 1586 | N | 81.3 | Confident | 83.7 | Confident | 107 Ų | 107 | 48.5 Ų | 48.5 | 57% | 0.572 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63 | -31.5 | 177.3 | -71.1 | -5.7 | 0 | 0 | 0 | 112.6 | R1582 S1583 G1588 | R1582-N1586 WeakPolarHBondContact O-CB 3.47Å; R1582-N1586 PolarHBondContact O-N 3.04Å; R1582-N1586 PolarHBondContact O-OD1 2.92Å; S1583-N1586 PolarHBondContact O-N 3.5Å; N1586-G1588 VanDerWaalsContact C-N 3.32Å |
| 1587 | R | 76.1 | Confident | 83.8 | Confident | 78 Ų | 78 | 54.2 Ų | 54.2 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -7.9 | 175.8 | -70.6 | 165.4 | 173.2 | -157 | -9.1 | 114.1 | L1512 L1556 S1583 A1584 S1585 A1589 | L1512-R1587 VanDerWaalsContact CB-NH2 3.27Å; L1512-R1587 PolarHBondContact O-NE 3.14Å; L1512-R1587 PolarHBondContact O-NH2 2.95Å; L1556-R1587 HydrophobicContact CD2-CB 4.01Å; L1556-R1587 HydrophobicContact CD2-CG 4.13Å; S1583-R1587 WeakPolarHBondContact O-CB 3.39Å; S1583-R1587 WeakPolarHBondContact O-CD 3.39Å; S1583-R1587 VanDerWaalsContact O-CG 3.23Å; S1583-R1587 WeakPolarHBondContact O-CG 3.18Å; S1583-R1587 PolarHBondContact O-N 3.44Å; A1584-R1587 PolarHBondContact O-N 3.21Å; S1585-R1587 VanDerWaalsContact C-N 3.26Å; S1585-R1587 PolarHBondContact O-N 3.03Å; R1587-A1589 VanDerWaalsContact C-N 3.31Å |
| 1588 | G | 75.8 | Confident | 83.9 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 56% | 0.557 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 11.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A1584 S1585 N1586 L1590 | A1584-G1588 PolarHBondContact O-N 3Å; S1585-G1588 PolarHBondContact O-N 3.31Å; N1586-G1588 VanDerWaalsContact C-N 3.32Å; G1588-L1590 PolarHBondContact O-N 2.87Å |
| 1589 | A | 79 | Confident | 83.9 | Confident | 19 Ų | 19 | 56.4 Ų | 56.4 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | trans | -81 | 65.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1584 R1587 L1591 Q1592 S1593 | A1584-A1589 HydrophobicContact CB-CB 4.39Å; A1584-A1589 PolarHBondContact O-N 3.42Å; R1587-A1589 VanDerWaalsContact C-N 3.31Å; A1589-L1591 VanDerWaalsContact C-N 3.28Å; A1589-L1591 PolarHBondContact O-N 2.84Å; A1589-Q1592 HydrophobicContact CB-CB 4.31Å; A1589-Q1592 PolarHBondContact O-N 2.82Å; A1589-Q1592 VanDerWaalsContact O-N 3.1Å; A1589-S1593 PolarHBondContact O-N 3.44Å | ||
| 1590 | L | 81.6 | Confident | 84.1 | Confident | 119 Ų | 119 | 58.5 Ų | 58.5 | 62% | 0.623 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -56.8 | -37.6 | -173.3 | -66.6 | 175.6 | 0 | 0 | 0 | 113.3 | G1588 Q1592 S1593 T1594 | G1588-L1590 PolarHBondContact O-N 2.87Å; L1590-Q1592 PolarHBondContact O-N 3.32Å; L1590-S1593 PolarHBondContact O-N 3.11Å; L1590-T1594 WeakPolarHBondContact O-CG2 3.4Å; L1590-T1594 PolarHBondContact O-N 3.18Å; L1590-T1594 PolarHBondContact O-OG1 2.85Å |
| 1591 | L | 83.1 | Confident | 84.1 | Confident | 119 Ų | 119 | 63.9 Ų | 63.9 | 62% | 0.623 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.1 | -44.7 | 178.1 | -173.2 | 68.9 | 0 | 0 | 0 | 111.6 | A1589 T1594 K1595 | A1589-L1591 VanDerWaalsContact C-N 3.28Å; A1589-L1591 PolarHBondContact O-N 2.84Å; L1591-T1594 PolarHBondContact O-N 3.48Å; L1591-T1594 PolarHBondContact O-OG1 3.28Å; L1591-K1595 WeakPolarHBondContact O-CG 3.28Å; L1591-K1595 PolarHBondContact O-N 3.4Å; L1591-K1595 VanDerWaalsContact O-N 3.13Å |
| 1592 | Q | 81.6 | Confident | 84.2 | Confident | 37 Ų | 37 | 63.7 Ų | 63.7 | 17% | 0.173 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 176.7 | -69.4 | 178.7 | -6.9 | 0 | 0 | 111.2 | A1584 A1589 L1590 T1594 K1595 F1596 | A1584-Q1592 HydrophobicContact CB-CB 4.25Å; A1589-Q1592 HydrophobicContact CB-CB 4.31Å; A1589-Q1592 PolarHBondContact O-N 2.82Å; A1589-Q1592 VanDerWaalsContact O-N 3.1Å; L1590-Q1592 PolarHBondContact O-N 3.32Å; Q1592-T1594 VanDerWaalsContact C-N 3.31Å; Q1592-T1594 PolarHBondContact O-N 2.99Å; Q1592-K1595 PolarHBondContact O-N 3.48Å; Q1592-K1595 VanDerWaalsContact O-N 3.13Å; Q1592-F1596 HydrophobicContact CB-CD2 4.44Å; Q1592-F1596 HydrophobicContact CB-CE2 4.11Å; Q1592-F1596 WeakPolarHBondContact O-CD2 3.11Å; Q1592-F1596 PolarHBondContact O-N 3.41Å |
| 1593 | S | 85 | Confident | 84.1 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 7% | 0.07 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.2 | -43.3 | 173.7 | 164.3 | 0 | 0 | 0 | 0 | 111.6 | E1581 A1589 L1590 K1595 F1596 K1597 | E1581-S1593 PolarHBondContact OE1-OG 3.39Å; A1589-S1593 PolarHBondContact O-N 3.44Å; L1590-S1593 PolarHBondContact O-N 3.11Å; S1593-K1595 PolarHBondContact O-N 3.11Å; S1593-F1596 PolarHBondContact O-N 3.26Å; S1593-K1597 VanDerWaalsContact O-CB 3.29Å; S1593-K1597 WeakPolarHBondContact O-CB 3.3Å; S1593-K1597 PolarHBondContact O-N 2.91Å |
| 1594 | T | 87.5 | Confident | 84 | Confident | 82 Ų | 82 | 65 Ų | 65 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 176.3 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | L1590 L1591 Q1592 K1597 A1598 | L1590-T1594 WeakPolarHBondContact O-CG2 3.4Å; L1590-T1594 PolarHBondContact O-N 3.18Å; L1590-T1594 PolarHBondContact O-OG1 2.85Å; L1591-T1594 PolarHBondContact O-N 3.48Å; L1591-T1594 PolarHBondContact O-OG1 3.28Å; Q1592-T1594 VanDerWaalsContact C-N 3.31Å; Q1592-T1594 PolarHBondContact O-N 2.99Å; T1594-K1597 PolarHBondContact O-N 3.41Å; T1594-A1598 WeakPolarHBondContact O-CB 3.35Å; T1594-A1598 PolarHBondContact O-N 3.16Å |
| 1595 | K | 87.8 | Confident | 84.1 | Confident | 72 Ų | 72 | 65.3 Ų | 65.3 | 31% | 0.313 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 176.2 | -69.4 | -178.1 | -176.8 | -180 | 0 | 112.1 | D1565 I1568 L1591 Q1592 S1593 K1597 A1598 R1599 | D1565-K1595 WeakPolarHBondContact OD1-CD 3.38Å; D1565-K1595 IonicContact OD1-NZ 3.87Å; D1565-K1595 PolarHBondContact OD1-NZ 3.37Å; D1565-K1595 IonicContact OD2-NZ 3.98Å; D1565-K1595 PolarHBondContact OD2-NZ 2.73Å; I1568-K1595 HydrophobicContact CD1-CB 3.51Å; I1568-K1595 HydrophobicContact CD1-CD 3.91Å; I1568-K1595 HydrophobicContact CD1-CG 4.37Å; L1591-K1595 WeakPolarHBondContact O-CG 3.28Å; L1591-K1595 PolarHBondContact O-N 3.4Å; L1591-K1595 VanDerWaalsContact O-N 3.13Å; Q1592-K1595 PolarHBondContact O-N 3.48Å; Q1592-K1595 VanDerWaalsContact O-N 3.13Å; S1593-K1595 PolarHBondContact O-N 3.11Å; K1595-K1597 VanDerWaalsContact C-N 3.35Å; K1595-A1598 PolarHBondContact O-N 3.46Å; K1595-R1599 PolarHBondContact O-N 3.02Å |
| 1596 | F | 87.6 | Confident | 84.1 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.009 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 173.2 | -68.6 | -53 | 0 | 0 | 0 | 111.3 | Y1485 I1568 L1571 L1577 L1580 E1581 A1584 Q1592 S1593 A1598 R1599 I1600 | Y1485-F1596 HydrophobicContact CE1-CZ 4.21Å; I1568-F1596 HydrophobicContact CD1-CD1 4.3Å; I1568-F1596 HydrophobicContact CD1-CE1 4.03Å; I1568-F1596 HydrophobicContact CD1-CZ 4.36Å; I1568-F1596 HydrophobicContact CG1-CD1 4.37Å; I1568-F1596 HydrophobicContact CG1-CE1 3.87Å; I1568-F1596 HydrophobicContact CG1-CZ 4.45Å; I1568-F1596 HydrophobicContact CG2-CD1 4.1Å; I1568-F1596 HydrophobicContact CG2-CE1 4.35Å; L1571-F1596 HydrophobicContact CD1-CE1 4.01Å; L1577-F1596 HydrophobicContact CD2-CD1 3.9Å; L1580-F1596 HydrophobicContact CB-CD1 4.33Å; L1580-F1596 HydrophobicContact CB-CD2 4.19Å; L1580-F1596 HydrophobicContact CB-CE1 4.18Å; L1580-F1596 HydrophobicContact CB-CE2 4.03Å; L1580-F1596 HydrophobicContact CB-CG 4.36Å; L1580-F1596 HydrophobicContact CB-CZ 4.04Å; L1580-F1596 HydrophobicContact CD1-CE1 3.92Å; L1580-F1596 HydrophobicContact CD1-CZ 4.16Å; E1581-F1596 HydrophobicContact CB-CB 3.97Å; E1581-F1596 HydrophobicContact CG-CB 4.36Å; A1584-F1596 HydrophobicContact CB-CD2 4.26Å; A1584-F1596 HydrophobicContact CB-CE2 4.29Å; Q1592-F1596 HydrophobicContact CB-CD2 4.44Å; Q1592-F1596 HydrophobicContact CB-CE2 4.11Å; Q1592-F1596 WeakPolarHBondContact O-CD2 3.11Å; Q1592-F1596 PolarHBondContact O-N 3.41Å; S1593-F1596 PolarHBondContact O-N 3.26Å; F1596-A1598 VanDerWaalsContact C-N 3.33Å; F1596-A1598 PolarHBondContact O-N 3.03Å; F1596-R1599 PolarHBondContact O-N 3.44Å; F1596-R1599 VanDerWaalsContact O-N 3.14Å; F1596-I1600 WeakPolarHBondContact O-CG1 3.36Å; F1596-I1600 PolarHBondContact O-N 3.21Å |
| 1597 | K | 88.3 | Confident | 83.9 | Confident | 119 Ų | 119 | 64.3 Ų | 64.3 | 52% | 0.517 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 175.8 | -167.3 | 170.9 | -174.8 | 172.7 | 0 | 112.6 | S1593 T1594 K1595 R1599 I1600 N1601 | S1593-K1597 VanDerWaalsContact O-CB 3.29Å; S1593-K1597 WeakPolarHBondContact O-CB 3.3Å; S1593-K1597 PolarHBondContact O-N 2.91Å; T1594-K1597 PolarHBondContact O-N 3.41Å; K1595-K1597 VanDerWaalsContact C-N 3.35Å; K1597-R1599 VanDerWaalsContact C-N 3.35Å; K1597-I1600 PolarHBondContact O-N 3.41Å; K1597-N1601 PolarHBondContact O-N 2.93Å; K1597-N1601 VanDerWaalsContact O-N 3.17Å; K1597-N1601 PolarHBondContact O-ND2 3.43Å |
| 1598 | A | 88 | Confident | 84.2 | Confident | 65 Ų | 65 | 67.3 Ų | 67.3 | 54% | 0.537 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1594 K1595 F1596 N1601 N1602 | T1594-A1598 WeakPolarHBondContact O-CB 3.35Å; T1594-A1598 PolarHBondContact O-N 3.16Å; K1595-A1598 PolarHBondContact O-N 3.46Å; F1596-A1598 VanDerWaalsContact C-N 3.33Å; F1596-A1598 PolarHBondContact O-N 3.03Å; A1598-N1601 PolarHBondContact O-N 3.48Å; A1598-N1602 PolarHBondContact O-N 3.47Å |
| 1599 | R | 88.2 | Confident | 84.7 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 9% | 0.094 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 176 | -171 | 59.2 | 174.4 | 150.8 | -6.1 | 112.3 | I1568 P1569 L1571 L1577 K1595 F1596 K1597 N1601 N1602 L1605 | I1568-R1599 HydrophobicContact CG2-CB 3.98Å; I1568-R1599 HydrophobicContact CG2-CG 4.3Å; P1569-R1599 VanDerWaalsContact O-CZ 3.29Å; P1569-R1599 PolarHBondContact O-NE 3.33Å; P1569-R1599 PolarHBondContact O-NH2 2.97Å; L1571-R1599 PolarHBondContact O-NE 3.39Å; L1577-R1599 HydrophobicContact CD1-CG 3.96Å; L1577-R1599 HydrophobicContact CD2-CB 4.33Å; L1577-R1599 HydrophobicContact CD2-CG 4.16Å; K1595-R1599 PolarHBondContact O-N 3.02Å; F1596-R1599 PolarHBondContact O-N 3.44Å; F1596-R1599 VanDerWaalsContact O-N 3.14Å; K1597-R1599 VanDerWaalsContact C-N 3.35Å; R1599-N1601 PolarHBondContact O-N 3.21Å; R1599-N1602 PolarHBondContact NH1-ND2 3.33Å; R1599-N1602 VanDerWaalsContact O-CB 3.28Å; R1599-N1602 WeakPolarHBondContact O-CB 3.37Å; R1599-N1602 PolarHBondContact O-N 3.31Å; R1599-N1602 VanDerWaalsContact O-N 3.12Å; R1599-L1605 HydrophobicContact CG-CD1 4.06Å |
| 1600 | I | 87.8 | Confident | 84.9 | Confident | 50 Ų | 50 | 69.3 Ų | 69.3 | 26% | 0.256 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.8 | -35.9 | 175 | -67.6 | 166.3 | 0 | 0 | 0 | 111.3 | L1577 E1581 F1596 K1597 N1602 | L1577-I1600 HydrophobicContact CB-CD1 4.01Å; L1577-I1600 HydrophobicContact CB-CG1 3.64Å; L1577-I1600 HydrophobicContact CD1-CG1 4.17Å; L1577-I1600 HydrophobicContact CG-CG1 4.44Å; E1581-I1600 HydrophobicContact CB-CD1 4.35Å; F1596-I1600 WeakPolarHBondContact O-CG1 3.36Å; F1596-I1600 PolarHBondContact O-N 3.21Å; K1597-I1600 PolarHBondContact O-N 3.41Å; I1600-N1602 VanDerWaalsContact C-N 3.28Å; I1600-N1602 PolarHBondContact O-N 3.49Å |
| 1601 | N | 87.3 | Confident | 85 | Confident | 120 Ų | 120 | 69.7 Ų | 69.7 | 64% | 0.642 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 5.2 | 179.9 | -70.3 | -19.6 | 0 | 0 | 0 | 114.3 | K1597 A1598 R1599 | K1597-N1601 PolarHBondContact O-N 2.93Å; K1597-N1601 VanDerWaalsContact O-N 3.17Å; K1597-N1601 PolarHBondContact O-ND2 3.43Å; A1598-N1601 PolarHBondContact O-N 3.48Å; R1599-N1601 PolarHBondContact O-N 3.21Å |
| 1602 | N | 86.9 | Confident | 84.9 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 23% | 0.225 | 40% | 0.395 | C | S | . | . | trans | -71.8 | 126.8 | 178.8 | -172.1 | -34 | 0 | 0 | 0 | 110.2 | A1598 R1599 I1600 E1604 L1605 | A1598-N1602 PolarHBondContact O-N 3.47Å; R1599-N1602 PolarHBondContact NH1-ND2 3.33Å; R1599-N1602 VanDerWaalsContact O-CB 3.28Å; R1599-N1602 WeakPolarHBondContact O-CB 3.37Å; R1599-N1602 PolarHBondContact O-N 3.31Å; R1599-N1602 VanDerWaalsContact O-N 3.12Å; I1600-N1602 VanDerWaalsContact C-N 3.28Å; I1600-N1602 PolarHBondContact O-N 3.49Å; N1602-E1604 PolarHBondContact O-N 3.17Å; N1602-E1604 VanDerWaalsContact O-N 3.13Å; N1602-E1604 WeakPolarHBondContact OD1-CB 3.34Å; N1602-E1604 PolarHBondContact OD1-N 3.33Å; N1602-L1605 PolarHBondContact O-N 3.32Å; N1602-L1605 VanDerWaalsContact O-N 3.1Å | ||
| 1603 | P | 84.5 | Confident | 85 | Confident | 96 Ų | 96 | 73.6 Ų | 73.6 | 62% | 0.623 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -58.6 | -26.4 | -177.8 | 24.2 | -36.3 | 0 | 0 | 0 | 113.9 | L1605 N1606 N1609 | P1603-L1605 VanDerWaalsContact C-N 3.29Å; P1603-L1605 PolarHBondContact O-N 2.96Å; P1603-N1606 WeakPolarHBondContact O-CB 3.36Å; P1603-N1606 PolarHBondContact O-N 3.28Å; P1603-N1609 PolarHBondContact O-ND2 3.48Å |
| 1604 | E | 81.9 | Confident | 84.9 | Confident | 91 Ų | 91 | 73.9 Ų | 73.9 | 43% | 0.425 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -64.9 | -30.5 | 177.9 | -72.4 | 170.1 | -171 | 0 | 0 | 113.4 | N1602 N1609 N1617 | N1602-E1604 PolarHBondContact O-N 3.17Å; N1602-E1604 VanDerWaalsContact O-N 3.13Å; N1602-E1604 WeakPolarHBondContact OD1-CB 3.34Å; N1602-E1604 PolarHBondContact OD1-N 3.33Å; E1604-N1609 PolarHBondContact O-ND2 3.44Å; E1604-N1617 WeakPolarHBondContact CB-ND2 3.21Å; E1604-N1617 PolarHBondContact O-ND2 3.26Å; E1604-N1617 VanDerWaalsContact O-ND2 3.13Å |
| 1605 | L | 82.4 | Confident | 84.7 | Confident | 11 Ų | 11 | 75 Ų | 75 | 6% | 0.058 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -96.6 | 5.3 | -177.9 | -62.3 | -178.3 | 0 | 0 | 0 | 112.8 | W1572 I1574 L1577 R1599 N1602 P1603 A1607 L1621 | W1572-L1605 HydrophobicContact CB-CD2 3.46Å; W1572-L1605 VanDerWaalsContact CB-CD2 3.46Å; I1574-L1605 WeakPolarHBondContact CD1-O 3.32Å; L1577-L1605 HydrophobicContact CD1-CD1 4.22Å; R1599-L1605 HydrophobicContact CG-CD1 4.06Å; N1602-L1605 PolarHBondContact O-N 3.32Å; N1602-L1605 VanDerWaalsContact O-N 3.1Å; P1603-L1605 VanDerWaalsContact C-N 3.29Å; P1603-L1605 PolarHBondContact O-N 2.96Å; L1605-A1607 PolarHBondContact O-N 3.31Å; L1605-L1621 HydrophobicContact CD2-CD1 4.33Å |
| 1606 | N | 83.4 | Confident | 84.4 | Confident | 70 Ų | 70 | 78.3 Ų | 78.3 | 37% | 0.374 | 42% | 0.424 | S | S | . | . | trans | -62.6 | 121 | -176.8 | -174.7 | 1.1 | 0 | 0 | 0 | 110.4 | P1603 N1608 N1609 | P1603-N1606 WeakPolarHBondContact O-CB 3.36Å; P1603-N1606 PolarHBondContact O-N 3.28Å; N1606-N1608 PolarHBondContact O-N 3.21Å; N1606-N1608 PolarHBondContact OD1-N 3.41Å; N1606-N1608 VanDerWaalsContact OD1-N 3.16Å; N1606-N1609 VanDerWaalsContact O-CB 3.3Å; N1606-N1609 WeakPolarHBondContact O-CB 3.3Å; N1606-N1609 PolarHBondContact O-N 3.11Å | ||
| 1607 | A | 78.1 | Confident | 84.2 | Confident | 69 Ų | 69 | 79.7 Ų | 79.7 | 57% | 0.57 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -15.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1574 L1605 | I1574-A1607 HydrophobicContact CD1-CB 3.9Å; L1605-A1607 PolarHBondContact O-N 3.31Å |
| 1608 | N | 82.9 | Confident | 84 | Confident | 142 Ų | 142 | 77.8 Ų | 77.8 | 76% | 0.759 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -2.4 | 175.2 | -61.6 | -27.8 | 0 | 0 | 0 | 114 | N1606 | N1606-N1608 PolarHBondContact O-N 3.21Å; N1606-N1608 PolarHBondContact OD1-N 3.41Å; N1606-N1608 VanDerWaalsContact OD1-N 3.16Å |
| 1609 | N | 85.7 | Confident | 83.6 | Confident | 39 Ų | 39 | 75.6 Ų | 75.6 | 21% | 0.209 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -71.3 | 152.2 | 173 | -71 | -14.4 | 0 | 0 | 0 | 110.7 | P1603 E1604 N1606 L1614 | P1603-N1609 PolarHBondContact O-ND2 3.48Å; E1604-N1609 PolarHBondContact O-ND2 3.44Å; N1606-N1609 VanDerWaalsContact O-CB 3.3Å; N1606-N1609 WeakPolarHBondContact O-CB 3.3Å; N1606-N1609 PolarHBondContact O-N 3.11Å; N1609-L1614 HydrophobicContact CB-CD2 4.16Å; N1609-L1614 HydrophobicContact CB-CG 4.1Å |
| 1610 | P | 84.2 | Confident | 83.4 | Confident | 76 Ų | 76 | 77.3 Ų | 77.3 | 49% | 0.494 | 42% | 0.422 | S | S | . | . | trans | -61.1 | 146.4 | 171.2 | 27.3 | -35 | 0 | 0 | 0 | 111.2 | E1612 I1613 L1614 | P1610-E1612 PolarHBondContact O-N 3.16Å; P1610-E1612 VanDerWaalsContact O-N 3.11Å; P1610-I1613 HydrophobicContact CG-CB 4.33Å; P1610-I1613 HydrophobicContact CG-CD1 3.63Å; P1610-I1613 HydrophobicContact CG-CG1 3.88Å; P1610-I1613 PolarHBondContact O-N 3.05Å; P1610-L1614 PolarHBondContact O-N 3.32Å | ||
| 1611 | D | 82.3 | Confident | 83.3 | Confident | 126 Ų | 126 | 76.4 Ų | 76.4 | 67% | 0.674 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -57.8 | -28.2 | -175.6 | -73.2 | -38.4 | 0 | 0 | 0 | 113.5 | L1614 L1615 | D1611-L1614 PolarHBondContact O-N 3.45Å; D1611-L1615 VanDerWaalsContact O-CB 3.24Å; D1611-L1615 WeakPolarHBondContact O-CB 3.43Å; D1611-L1615 PolarHBondContact O-N 3.27Å |
| 1612 | E | 81.7 | Confident | 83.1 | Confident | 165 Ų | 165 | 71.5 Ų | 71.5 | 77% | 0.771 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.7 | -47.2 | 174.7 | -67.2 | 179 | -179.5 | 0 | 0 | 112 | P1610 L1615 E1616 | P1610-E1612 PolarHBondContact O-N 3.16Å; P1610-E1612 VanDerWaalsContact O-N 3.11Å; E1612-L1615 PolarHBondContact O-N 3.2Å; E1612-E1616 WeakPolarHBondContact O-CB 3.38Å; E1612-E1616 PolarHBondContact O-N 3.32Å |
| 1613 | I | 83.8 | Confident | 83 | Confident | 74 Ų | 74 | 70.3 Ų | 70.3 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68 | -40.6 | 178.6 | -64.3 | 177.8 | 0 | 0 | 0 | 109.9 | P1610 N1617 | P1610-I1613 HydrophobicContact CG-CB 4.33Å; P1610-I1613 HydrophobicContact CG-CD1 3.63Å; P1610-I1613 HydrophobicContact CG-CG1 3.88Å; P1610-I1613 PolarHBondContact O-N 3.05Å; I1613-N1617 VanDerWaalsContact O-CB 3.31Å; I1613-N1617 WeakPolarHBondContact O-CB 3.31Å; I1613-N1617 VanDerWaalsContact O-CG 3.28Å; I1613-N1617 PolarHBondContact O-N 2.98Å; I1613-N1617 PolarHBondContact O-ND2 3.47Å |
| 1614 | L | 83.6 | Confident | 83 | Confident | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 176.8 | -68.1 | 177.1 | 0 | 0 | 0 | 111.3 | N1609 P1610 D1611 R1618 | N1609-L1614 HydrophobicContact CB-CD2 4.16Å; N1609-L1614 HydrophobicContact CB-CG 4.1Å; P1610-L1614 PolarHBondContact O-N 3.32Å; D1611-L1614 PolarHBondContact O-N 3.45Å; L1614-R1618 VanDerWaalsContact O-CB 3.32Å; L1614-R1618 WeakPolarHBondContact O-CB 3.41Å; L1614-R1618 WeakPolarHBondContact O-CD 3.47Å; L1614-R1618 WeakPolarHBondContact O-CG 3.1Å; L1614-R1618 PolarHBondContact O-N 3.47Å |
| 1615 | L | 81.6 | Confident | 83.2 | Confident | 105 Ų | 105 | 62.6 Ų | 62.6 | 55% | 0.55 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.2 | -46.9 | 179 | -173.2 | 67.2 | 0 | 0 | 0 | 111.4 | D1611 E1612 N1617 R1618 C1619 | D1611-L1615 VanDerWaalsContact O-CB 3.24Å; D1611-L1615 WeakPolarHBondContact O-CB 3.43Å; D1611-L1615 PolarHBondContact O-N 3.27Å; E1612-L1615 PolarHBondContact O-N 3.2Å; L1615-N1617 VanDerWaalsContact C-N 3.33Å; L1615-N1617 PolarHBondContact O-N 3.41Å; L1615-R1618 PolarHBondContact O-N 3.02Å; L1615-C1619 WeakPolarHBondContact O-CB 2.89Å; L1615-C1619 PolarHBondContact O-N 2.91Å; L1615-C1619 PolarHBondContact O-SG 3.41Å |
| 1616 | E | 81.8 | Confident | 83.4 | Confident | 142 Ų | 142 | 62.1 Ų | 62.1 | 66% | 0.664 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -57.9 | -46.7 | 176.7 | -173.8 | 175.4 | -174.2 | 0 | 0 | 111.1 | E1612 C1619 A1620 | E1612-E1616 WeakPolarHBondContact O-CB 3.38Å; E1612-E1616 PolarHBondContact O-N 3.32Å; E1616-C1619 PolarHBondContact O-N 3.35Å; E1616-A1620 WeakPolarHBondContact O-CB 3.43Å; E1616-A1620 PolarHBondContact O-N 2.8Å |
| 1617 | N | 84.1 | Confident | 83.5 | Confident | 31 Ų | 31 | 64.3 Ų | 64.3 | 17% | 0.166 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.3 | -45 | 176.9 | -74.9 | -21.9 | 0 | 0 | 0 | 112.3 | E1604 I1613 L1615 C1619 A1620 L1621 | E1604-N1617 WeakPolarHBondContact CB-ND2 3.21Å; E1604-N1617 PolarHBondContact O-ND2 3.26Å; E1604-N1617 VanDerWaalsContact O-ND2 3.13Å; I1613-N1617 VanDerWaalsContact O-CB 3.31Å; I1613-N1617 WeakPolarHBondContact O-CB 3.31Å; I1613-N1617 VanDerWaalsContact O-CG 3.28Å; I1613-N1617 PolarHBondContact O-N 2.98Å; I1613-N1617 PolarHBondContact O-ND2 3.47Å; L1615-N1617 VanDerWaalsContact C-N 3.33Å; L1615-N1617 PolarHBondContact O-N 3.41Å; N1617-C1619 VanDerWaalsContact C-N 3.29Å; N1617-C1619 PolarHBondContact O-N 3.47Å; N1617-A1620 PolarHBondContact O-N 3.39Å; N1617-L1621 WeakPolarHBondContact O-CB 3.36Å; N1617-L1621 WeakPolarHBondContact O-CG 3.25Å; N1617-L1621 PolarHBondContact O-N 3.03Å |
| 1618 | R | 84.2 | Confident | 83.8 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 30% | 0.302 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56 | -46.6 | 175.9 | -75.9 | 169.4 | -168.1 | 177.8 | 7.1 | 110.9 | W1572 L1614 L1615 L1621 N1622 | W1572-R1618 HydrophobicContact CD2-CB 4.41Å; W1572-R1618 HydrophobicContact CD2-CG 3.59Å; W1572-R1618 HydrophobicContact CE3-CG 3.62Å; W1572-R1618 HydrophobicContact CG-CG 4.09Å; W1572-R1618 HydrophobicContact CH2-CG 4.1Å; W1572-R1618 HydrophobicContact CZ2-CB 4.47Å; W1572-R1618 HydrophobicContact CZ2-CG 4.04Å; W1572-R1618 HydrophobicContact CZ3-CG 3.9Å; L1614-R1618 VanDerWaalsContact O-CB 3.32Å; L1614-R1618 WeakPolarHBondContact O-CB 3.41Å; L1614-R1618 WeakPolarHBondContact O-CD 3.47Å; L1614-R1618 WeakPolarHBondContact O-CG 3.1Å; L1614-R1618 PolarHBondContact O-N 3.47Å; L1615-R1618 PolarHBondContact O-N 3.02Å; R1618-L1621 PolarHBondContact O-N 3.21Å; R1618-N1622 VanDerWaalsContact O-CB 3.27Å; R1618-N1622 WeakPolarHBondContact O-CB 3.48Å; R1618-N1622 PolarHBondContact O-N 3.24Å; R1618-N1622 PolarHBondContact O-OD1 3.36Å |
| 1619 | C | 79.9 | Confident | 83.9 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 12% | 0.122 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.9 | -42.2 | -178.2 | -67.9 | 0 | 0 | 0 | 0 | 112.5 | N1460 L1615 E1616 N1617 L1621 N1622 L1623 | N1460-C1619 VanDerWaalsContact CG-SG 3.58Å; N1460-C1619 WeakPolarHBondContact ND2-CB 3.43Å; N1460-C1619 PolarHBondContact ND2-SG 3.49Å; N1460-C1619 PolarHBondContact OD1-SG 3.21Å; L1615-C1619 WeakPolarHBondContact O-CB 2.89Å; L1615-C1619 PolarHBondContact O-N 2.91Å; L1615-C1619 PolarHBondContact O-SG 3.41Å; E1616-C1619 PolarHBondContact O-N 3.35Å; N1617-C1619 VanDerWaalsContact C-N 3.29Å; N1617-C1619 PolarHBondContact O-N 3.47Å; C1619-L1621 PolarHBondContact O-N 3.4Å; C1619-N1622 PolarHBondContact O-N 3.02Å; C1619-L1623 WeakPolarHBondContact O-CB 3.36Å; C1619-L1623 VanDerWaalsContact O-CG 3.32Å; C1619-L1623 WeakPolarHBondContact O-CG 3.46Å; C1619-L1623 PolarHBondContact O-N 3Å |
| 1620 | A | 83.2 | Confident | 83.9 | Confident | 62 Ų | 62 | 56.4 Ų | 56.4 | 51% | 0.512 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | E1616 N1617 G1624 | E1616-A1620 WeakPolarHBondContact O-CB 3.43Å; E1616-A1620 PolarHBondContact O-N 2.8Å; N1617-A1620 PolarHBondContact O-N 3.39Å; A1620-G1624 PolarHBondContact O-N 3.28Å |
| 1621 | L | 85.8 | Confident | 83.9 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 178.3 | -66.8 | 171.1 | 0 | 0 | 0 | 112.2 | P1569 W1572 L1605 N1617 R1618 C1619 G1624 Y1625 | P1569-L1621 WeakPolarHBondContact O-CD2 3.41Å; W1572-L1621 HydrophobicContact CB-CD1 3.79Å; W1572-L1621 HydrophobicContact CG-CD1 4.45Å; L1605-L1621 HydrophobicContact CD2-CD1 4.33Å; N1617-L1621 WeakPolarHBondContact O-CB 3.36Å; N1617-L1621 WeakPolarHBondContact O-CG 3.25Å; N1617-L1621 PolarHBondContact O-N 3.03Å; R1618-L1621 PolarHBondContact O-N 3.21Å; C1619-L1621 PolarHBondContact O-N 3.4Å; L1621-G1624 PolarHBondContact O-N 3.4Å; L1621-Y1625 PolarHBondContact O-N 3.32Å |
| 1622 | N | 83.9 | Confident | 83.9 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 176.8 | -76.1 | -0.8 | 0 | 0 | 0 | 111.7 | L1462 F1493 W1572 R1618 C1619 Y1625 L1626 | L1462-N1622 HydrophobicContact CD1-CB 3.92Å; F1493-N1622 HydrophobicContact CD1-CB 4.19Å; F1493-N1622 HydrophobicContact CE1-CB 3.48Å; F1493-N1622 VanDerWaalsContact CE1-CB 3.48Å; F1493-N1622 HydrophobicContact CE2-CB 4.21Å; F1493-N1622 VanDerWaalsContact CZ-CA 3.41Å; F1493-N1622 HydrophobicContact CZ-CB 3.5Å; F1493-N1622 VanDerWaalsContact CZ-O 3.32Å; F1493-N1622 WeakPolarHBondContact CZ-O 3.29Å; W1572-N1622 PolarHBondContact NE1-OD1 3.26Å; R1618-N1622 VanDerWaalsContact O-CB 3.27Å; R1618-N1622 WeakPolarHBondContact O-CB 3.48Å; R1618-N1622 PolarHBondContact O-N 3.24Å; R1618-N1622 PolarHBondContact O-OD1 3.36Å; C1619-N1622 PolarHBondContact O-N 3.02Å; N1622-Y1625 PolarHBondContact O-N 3.35Å; N1622-L1626 PolarHBondContact O-N 3.45Å |
| 1623 | L | 83.3 | Confident | 83.9 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.7 | -40.4 | 175.1 | -71.6 | 171.7 | 0 | 0 | 0 | 111.7 | F1457 N1460 L1462 C1619 Y1625 L1626 R1627 | F1457-L1623 HydrophobicContact CB-CD2 4.09Å; N1460-L1623 HydrophobicContact CB-CD1 4.12Å; L1462-L1623 HydrophobicContact CD1-CD2 3.97Å; L1462-L1623 HydrophobicContact CD1-CG 4.27Å; L1462-L1623 HydrophobicContact CG-CD2 4.34Å; C1619-L1623 WeakPolarHBondContact O-CB 3.36Å; C1619-L1623 VanDerWaalsContact O-CG 3.32Å; C1619-L1623 WeakPolarHBondContact O-CG 3.46Å; C1619-L1623 PolarHBondContact O-N 3Å; L1623-Y1625 VanDerWaalsContact C-N 3.31Å; L1623-Y1625 PolarHBondContact O-N 3.26Å; L1623-L1626 PolarHBondContact O-N 3.47Å; L1623-R1627 WeakPolarHBondContact O-CG 3.25Å; L1623-R1627 PolarHBondContact O-N 3.28Å |
| 1624 | G | 85.2 | Confident | 83.5 | Confident | 25 Ų | 25 | 47.7 Ų | 47.7 | 26% | 0.258 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.1 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1620 L1621 Y1628 | A1620-G1624 PolarHBondContact O-N 3.28Å; L1621-G1624 PolarHBondContact O-N 3.4Å; G1624-Y1628 PolarHBondContact O-N 3.27Å; G1624-Y1628 VanDerWaalsContact O-N 3.09Å |
| 1625 | Y | 87.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.1 | -42.1 | 176.9 | -179.8 | -115.2 | 0 | 0 | 0 | 112.7 | E1486 V1489 L1490 F1493 L1567 Y1570 L1621 N1622 L1623 R1627 Y1628 L1629 | E1486-Y1625 VanDerWaalsContact CA-OH 3.23Å; E1486-Y1625 WeakPolarHBondContact CA-OH 3.41Å; E1486-Y1625 WeakPolarHBondContact CB-OH 3.26Å; E1486-Y1625 PolarHBondContact O-OH 3.27Å; V1489-Y1625 HydrophobicContact CB-CD1 4.29Å; V1489-Y1625 HydrophobicContact CB-CD2 4.48Å; V1489-Y1625 HydrophobicContact CB-CE1 3.92Å; V1489-Y1625 HydrophobicContact CB-CE2 4.19Å; V1489-Y1625 HydrophobicContact CG1-CD1 3.45Å; V1489-Y1625 VanDerWaalsContact CG1-CD1 3.45Å; V1489-Y1625 HydrophobicContact CG1-CD2 3.82Å; V1489-Y1625 HydrophobicContact CG1-CE1 3.6Å; V1489-Y1625 HydrophobicContact CG1-CE2 4.01Å; V1489-Y1625 HydrophobicContact CG1-CG 3.54Å; L1490-Y1625 HydrophobicContact CD2-CD1 4.26Å; L1490-Y1625 HydrophobicContact CD2-CE1 3.71Å; L1490-Y1625 HydrophobicContact CG-CE1 3.93Å; F1493-Y1625 AromaticContact CE2-CD1 3.85Å; F1493-Y1625 HydrophobicContact CE2-CD1 3.85Å; F1493-Y1625 AromaticContact CZ-CD1 3.79Å; F1493-Y1625 HydrophobicContact CZ-CD1 3.79Å; L1567-Y1625 HydrophobicContact CD2-CD2 4.28Å; L1567-Y1625 HydrophobicContact CD2-CE2 3.6Å; Y1570-Y1625 AromaticContact CD2-CD2 3.75Å; Y1570-Y1625 HydrophobicContact CD2-CD2 3.75Å; Y1570-Y1625 HydrophobicContact CE2-CD2 4.26Å; Y1570-Y1625 AromaticContact CG-CD2 3.9Å; Y1570-Y1625 HydrophobicContact CG-CD2 3.9Å; Y1570-Y1625 HydrophobicContact CG-CG 4.24Å; L1621-Y1625 PolarHBondContact O-N 3.32Å; N1622-Y1625 PolarHBondContact O-N 3.35Å; L1623-Y1625 VanDerWaalsContact C-N 3.31Å; L1623-Y1625 PolarHBondContact O-N 3.26Å; Y1625-R1627 VanDerWaalsContact C-N 3.34Å; Y1625-R1627 PolarHBondContact O-N 3.23Å; Y1625-Y1628 HydrophobicContact CD2-CD1 4.21Å; Y1625-Y1628 HydrophobicContact CE2-CD1 4.13Å; Y1625-Y1628 WeakPolarHBondContact O-CB 3.29Å; Y1625-Y1628 PolarHBondContact O-N 3.32Å; Y1625-L1629 HydrophobicContact CE1-CD1 4.05Å; Y1625-L1629 HydrophobicContact CE2-CD1 4.28Å; Y1625-L1629 WeakPolarHBondContact O-CB 3.2Å; Y1625-L1629 PolarHBondContact O-N 2.86Å; Y1625-L1629 WeakPolarHBondContact OH-CD1 3.36Å |
| 1626 | L | 85.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.5 | -35.8 | 176.9 | -73.7 | 172.5 | 0 | 0 | 0 | 112.9 | L1447 F1457 L1462 F1466 F1493 N1622 L1623 L1629 S1630 | L1447-L1626 HydrophobicContact CD2-CD2 4.2Å; F1457-L1626 HydrophobicContact CD1-CB 3.69Å; F1457-L1626 HydrophobicContact CD1-CD1 3.81Å; F1457-L1626 HydrophobicContact CD1-CG 4.36Å; F1457-L1626 HydrophobicContact CD2-CB 4.44Å; F1457-L1626 HydrophobicContact CE1-CB 3.87Å; F1457-L1626 HydrophobicContact CE1-CD1 3.87Å; F1457-L1626 HydrophobicContact CE1-CD2 4.48Å; F1457-L1626 HydrophobicContact CE1-CG 4.31Å; F1457-L1626 HydrophobicContact CG-CB 3.99Å; F1457-L1626 HydrophobicContact CZ-CB 4.33Å; L1462-L1626 HydrophobicContact CD1-CD1 3.92Å; L1462-L1626 HydrophobicContact CD2-CD1 3.2Å; L1462-L1626 HydrophobicContact CG-CD1 4.21Å; F1466-L1626 HydrophobicContact CE2-CD1 4.42Å; F1466-L1626 HydrophobicContact CZ-CD1 4.35Å; F1493-L1626 HydrophobicContact CD1-CD1 4.35Å; F1493-L1626 HydrophobicContact CE1-CD1 3.62Å; F1493-L1626 HydrophobicContact CE1-CD2 4.26Å; F1493-L1626 HydrophobicContact CE1-CG 3.69Å; F1493-L1626 HydrophobicContact CZ-CG 4.13Å; N1622-L1626 PolarHBondContact O-N 3.45Å; L1623-L1626 PolarHBondContact O-N 3.47Å; L1626-L1629 PolarHBondContact O-N 3.14Å; L1626-S1630 WeakPolarHBondContact O-CB 3.39Å; L1626-S1630 PolarHBondContact O-N 3.37Å; L1626-S1630 PolarHBondContact O-OG 2.65Å |
| 1627 | R | 85 | Confident | 82.3 | Confident | 117 Ų | 117 | 48.1 Ų | 48.1 | 44% | 0.442 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 171.3 | -72 | -176.7 | -166 | 166.8 | 7 | 112.4 | F1457 L1623 Y1625 S1630 N1631 | F1457-R1627 HydrophobicContact CB-CG 3.82Å; F1457-R1627 HydrophobicContact CD2-CG 4.43Å; F1457-R1627 PolarHBondContact O-NE 3.09Å; F1457-R1627 PolarHBondContact O-NH2 3.42Å; L1623-R1627 WeakPolarHBondContact O-CG 3.25Å; L1623-R1627 PolarHBondContact O-N 3.28Å; Y1625-R1627 VanDerWaalsContact C-N 3.34Å; Y1625-R1627 PolarHBondContact O-N 3.23Å; R1627-S1630 WeakPolarHBondContact CA-OG 3.37Å; R1627-S1630 PolarHBondContact O-OG 2.88Å; R1627-N1631 WeakPolarHBondContact O-CB 3.43Å; R1627-N1631 PolarHBondContact O-N 3.5Å; R1627-N1631 PolarHBondContact O-ND2 3.12Å |
| 1628 | Y | 85.9 | Confident | 82.2 | Confident | 71 Ų | 71 | 49 Ų | 49 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 173.3 | 169.2 | -101.1 | 0 | 0 | 0 | 110.3 | L1567 Y1570 G1624 Y1625 S1630 N1631 V1632 | L1567-Y1628 HydrophobicContact CD2-CE1 4.05Å; Y1570-Y1628 HydrophobicContact CE2-CG 4.49Å; G1624-Y1628 PolarHBondContact O-N 3.27Å; G1624-Y1628 VanDerWaalsContact O-N 3.09Å; Y1625-Y1628 HydrophobicContact CD2-CD1 4.21Å; Y1625-Y1628 HydrophobicContact CE2-CD1 4.13Å; Y1625-Y1628 WeakPolarHBondContact O-CB 3.29Å; Y1625-Y1628 PolarHBondContact O-N 3.32Å; Y1628-S1630 PolarHBondContact O-N 2.94Å; Y1628-N1631 PolarHBondContact O-N 3.28Å; Y1628-V1632 HydrophobicContact CE1-CG2 4.47Å; Y1628-V1632 HydrophobicContact CE2-CG2 4.28Å; Y1628-V1632 WeakPolarHBondContact O-CG2 3.47Å; Y1628-V1632 PolarHBondContact O-N 2.79Å |
| 1629 | L | 84.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.4 | -37.8 | -178.4 | -157.7 | 124 | 0 | 0 | 0 | 111.8 | L1443 L1447 Y1625 L1626 N1631 V1632 Y1633 | L1443-L1629 HydrophobicContact CD1-CD2 4.25Å; L1443-L1629 HydrophobicContact CD2-CD2 4.36Å; L1443-L1629 HydrophobicContact CG-CD2 4.38Å; L1447-L1629 HydrophobicContact CD1-CD2 3.35Å; L1447-L1629 HydrophobicContact CD1-CG 4.38Å; L1447-L1629 HydrophobicContact CD2-CD2 3.35Å; L1447-L1629 HydrophobicContact CG-CD2 3.77Å; Y1625-L1629 HydrophobicContact CE1-CD1 4.05Å; Y1625-L1629 HydrophobicContact CE2-CD1 4.28Å; Y1625-L1629 WeakPolarHBondContact O-CB 3.2Å; Y1625-L1629 PolarHBondContact O-N 2.86Å; Y1625-L1629 WeakPolarHBondContact OH-CD1 3.36Å; L1626-L1629 PolarHBondContact O-N 3.14Å; L1629-N1631 PolarHBondContact O-N 2.98Å; L1629-V1632 PolarHBondContact O-N 3.44Å; L1629-V1632 VanDerWaalsContact O-N 3.16Å; L1629-Y1633 HydrophobicContact CD1-CE2 4.3Å; L1629-Y1633 HydrophobicContact CD2-CD2 4.04Å; L1629-Y1633 HydrophobicContact CD2-CE2 4.3Å; L1629-Y1633 HydrophobicContact CG-CD2 3.84Å; L1629-Y1633 HydrophobicContact CG-CE2 3.89Å; L1629-Y1633 VanDerWaalsContact O-CD2 3.29Å; L1629-Y1633 WeakPolarHBondContact O-CD2 3.43Å; L1629-Y1633 PolarHBondContact O-N 3.4Å; L1629-Y1633 VanDerWaalsContact O-N 3.11Å |
| 1630 | S | 84.8 | Confident | 82.2 | Confident | 13 Ų | 13 | 49 Ų | 49 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | 174.9 | 69.9 | 0 | 0 | 0 | 0 | 112.5 | L1626 R1627 Y1628 V1632 Y1633 L1634 | L1626-S1630 WeakPolarHBondContact O-CB 3.39Å; L1626-S1630 PolarHBondContact O-N 3.37Å; L1626-S1630 PolarHBondContact O-OG 2.65Å; R1627-S1630 WeakPolarHBondContact CA-OG 3.37Å; R1627-S1630 PolarHBondContact O-OG 2.88Å; Y1628-S1630 PolarHBondContact O-N 2.94Å; S1630-V1632 PolarHBondContact O-N 3.4Å; S1630-Y1633 PolarHBondContact O-N 2.67Å; S1630-L1634 VanDerWaalsContact O-CB 3.3Å; S1630-L1634 WeakPolarHBondContact O-CB 3.2Å; S1630-L1634 PolarHBondContact O-N 2.84Å |
| 1631 | N | 84.1 | Confident | 82.2 | Confident | 101 Ų | 101 | 48.1 Ų | 48.1 | 54% | 0.54 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.8 | -23.9 | 176.1 | -70.5 | -12.9 | 0 | 0 | 0 | 112.8 | R1627 Y1628 L1629 I1635 | R1627-N1631 WeakPolarHBondContact O-CB 3.43Å; R1627-N1631 PolarHBondContact O-N 3.5Å; R1627-N1631 PolarHBondContact O-ND2 3.12Å; Y1628-N1631 PolarHBondContact O-N 3.28Å; L1629-N1631 PolarHBondContact O-N 2.98Å; N1631-I1635 HydrophobicContact CB-CD1 4.14Å |
| 1632 | V | 82.7 | Confident | 81.9 | Confident | 59 Ų | 59 | 49.4 Ų | 49.4 | 36% | 0.358 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -84.7 | -30.8 | 178.6 | 173.4 | 0 | 0 | 0 | 0 | 112.3 | Y1628 L1629 S1630 | Y1628-V1632 HydrophobicContact CE1-CG2 4.47Å; Y1628-V1632 HydrophobicContact CE2-CG2 4.28Å; Y1628-V1632 WeakPolarHBondContact O-CG2 3.47Å; Y1628-V1632 PolarHBondContact O-N 2.79Å; L1629-V1632 PolarHBondContact O-N 3.44Å; L1629-V1632 VanDerWaalsContact O-N 3.16Å; S1630-V1632 PolarHBondContact O-N 3.4Å |
| 1633 | Y | 81.7 | Confident | 81.7 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 11% | 0.106 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -117.2 | -18.5 | -171 | -69.2 | -75 | 0 | 0 | 0 | 116.6 | R1440 L1443 S1444 L1447 L1483 L1629 S1630 | R1440-Y1633 HydrophobicContact CG-CD1 4.19Å; R1440-Y1633 HydrophobicContact CG-CE1 4.26Å; L1443-Y1633 HydrophobicContact CD2-CD1 4.25Å; L1443-Y1633 HydrophobicContact CD2-CD2 3.85Å; L1443-Y1633 HydrophobicContact CD2-CE1 3.95Å; L1443-Y1633 HydrophobicContact CD2-CE2 3.53Å; L1443-Y1633 HydrophobicContact CD2-CG 4.2Å; S1444-Y1633 PolarHBondContact OG-O 3.39Å; L1447-Y1633 HydrophobicContact CD1-CD2 4.1Å; L1447-Y1633 HydrophobicContact CD1-CG 4.27Å; L1483-Y1633 WeakPolarHBondContact CD1-OH 3.36Å; L1629-Y1633 HydrophobicContact CD1-CE2 4.3Å; L1629-Y1633 HydrophobicContact CD2-CD2 4.04Å; L1629-Y1633 HydrophobicContact CD2-CE2 4.3Å; L1629-Y1633 HydrophobicContact CG-CD2 3.84Å; L1629-Y1633 HydrophobicContact CG-CE2 3.89Å; L1629-Y1633 VanDerWaalsContact O-CD2 3.29Å; L1629-Y1633 WeakPolarHBondContact O-CD2 3.43Å; L1629-Y1633 PolarHBondContact O-N 3.4Å; L1629-Y1633 VanDerWaalsContact O-N 3.11Å; S1630-Y1633 PolarHBondContact O-N 2.67Å |
| 1634 | L | 75.8 | Confident | 81.6 | Confident | 70 Ų | 70 | 54.8 Ų | 54.8 | 37% | 0.366 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -18.4 | 177.4 | -64.6 | 179.1 | 0 | 0 | 0 | 113.4 | S1444 L1447 E1448 S1630 | S1444-L1634 WeakPolarHBondContact O-CD2 3.44Å; L1447-L1634 HydrophobicContact CB-CD1 4.3Å; L1447-L1634 HydrophobicContact CB-CD2 4.33Å; L1447-L1634 HydrophobicContact CB-CG 4.3Å; E1448-L1634 HydrophobicContact CB-CD2 4.1Å; S1630-L1634 VanDerWaalsContact O-CB 3.3Å; S1630-L1634 WeakPolarHBondContact O-CB 3.2Å; S1630-L1634 PolarHBondContact O-N 2.84Å |
| 1635 | I | 57.3 | Low | 81.3 | Confident | 174 Ų | 174 | 57.5 Ų | 57.5 | 89% | 0.892 | 28% | 0.279 | S | S | * | . | trans | -95.8 | 0 | 174.3 | -50.9 | 177 | 0 | 0 | 0 | 108.3 | N1631 | N1631-I1635 HydrophobicContact CB-CD1 4.14Š|
Retrieved 1,635 of 1,635 residues in 2371.3 ms
(Link to these results)