| 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 | 43.6 | Very low | 72.9 | Confident | 201 Ų | 201 | 69.8 Ų | 69.8 | 99% | 0.99 | 33% | 0.334 | S | S | * | . | 0 | 139.5 | 0 | -80.6 | -161.5 | -163.9 | 0 | 0 | 107.5 | H5 | M1-H5 HydrophobicContact CB-CB 4.48Å; M1-H5 HydrophobicContact SD-CB 4.38Å | |||
| 2 | S | 55 | Low | 74.6 | Confident | 42 Ų | 42 | 64 Ų | 64 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | trans | -61.9 | 146.9 | 169.7 | 67.7 | 0 | 0 | 0 | 0 | 109.4 | I4 H5 | S2-I4 PolarHBondContact O-N 3.07Å; S2-H5 WeakPolarHBondContact O-CB 3.48Å; S2-H5 PolarHBondContact O-N 3.1Å; S2-H5 PolarHBondContact OG-N 3.17Å; S2-H5 PolarHBondContact OG-ND1 3.19Å; S2-H5 VanDerWaalsContact OG-ND1 3.08Å | ||
| 3 | L | 60 | Low | 75.9 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 20% | 0.204 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -61.5 | -27.8 | 175.7 | -90.9 | 84.8 | 0 | 0 | 0 | 111.9 | H5 Q6 L8 C520 | L3-H5 PolarHBondContact O-N 3.24Å; L3-Q6 WeakPolarHBondContact O-CB 3.45Å; L3-Q6 PolarHBondContact O-N 3.24Å; L3-L8 HydrophobicContact CD2-CD1 4.13Å; L3-C520 HydrophobicContact CD2-CB 3.4Å; L3-C520 WeakPolarHBondContact CD2-SG 3.44Å |
| 4 | I | 59.6 | Low | 77.3 | Confident | 46 Ų | 46 | 71.4 Ų | 71.4 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -58.7 | -36.3 | 172.1 | -63.8 | 170.8 | 0 | 0 | 0 | 111 | S2 Q6 K7 E468 C517 | S2-I4 PolarHBondContact O-N 3.07Å; I4-Q6 PolarHBondContact O-N 3.29Å; I4-K7 PolarHBondContact O-N 3Å; I4-E468 HydrophobicContact CD1-CB 3.69Å; I4-E468 VanDerWaalsContact CD1-OE2 3.27Å; I4-E468 WeakPolarHBondContact CD1-OE2 3.43Å; I4-C517 WeakPolarHBondContact CG1-SG 3.22Å |
| 5 | H | 60 | Low | 78.6 | Confident | 129 Ų | 129 | 67.8 Ų | 67.8 | 60% | 0.597 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -65 | -23.3 | 174.2 | -92.1 | 75.8 | 0 | 0 | 0 | 113.6 | M1 S2 L3 K7 | M1-H5 HydrophobicContact CB-CB 4.48Å; M1-H5 HydrophobicContact SD-CB 4.38Å; S2-H5 WeakPolarHBondContact O-CB 3.48Å; S2-H5 PolarHBondContact O-N 3.1Å; S2-H5 PolarHBondContact OG-N 3.17Å; S2-H5 PolarHBondContact OG-ND1 3.19Å; S2-H5 VanDerWaalsContact OG-ND1 3.08Å; L3-H5 PolarHBondContact O-N 3.24Å; H5-K7 VanDerWaalsContact C-N 3.27Å |
| 6 | Q | 71.6 | Confident | 79.8 | Confident | 70 Ų | 70 | 64.4 Ų | 64.4 | 33% | 0.327 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -79.6 | -10.2 | 175.4 | -62.9 | -173.4 | -2.8 | 0 | 0 | 113.1 | L3 I4 L8 R11 | L3-Q6 WeakPolarHBondContact O-CB 3.45Å; L3-Q6 PolarHBondContact O-N 3.24Å; I4-Q6 PolarHBondContact O-N 3.29Å; Q6-L8 HydrophobicContact CB-CD2 4.29Å; Q6-L8 HydrophobicContact CB-CG 4.07Å; Q6-L8 PolarHBondContact O-N 3.44Å; Q6-R11 WeakPolarHBondContact O-CD 3.35Å |
| 7 | K | 86.1 | Confident | 80.7 | Confident | 128 Ų | 128 | 65.8 Ų | 65.8 | 56% | 0.557 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 41.8 | 178.8 | -62.1 | -171.7 | 177.1 | -175.3 | 0 | 113.1 | I4 H5 A9 E10 R11 | I4-K7 PolarHBondContact O-N 3Å; H5-K7 VanDerWaalsContact C-N 3.27Å; K7-A9 PolarHBondContact O-N 2.8Å; K7-E10 WeakPolarHBondContact CA-OE2 3.4Å; K7-E10 HydrophobicContact CB-CB 4.34Å; K7-E10 WeakPolarHBondContact CB-OE2 3.37Å; K7-E10 PolarHBondContact O-N 3.12Å; K7-R11 WeakPolarHBondContact O-CB 3.45Å; K7-R11 VanDerWaalsContact O-CG 3.27Å; K7-R11 WeakPolarHBondContact O-CG 3.34Å; K7-R11 PolarHBondContact O-N 2.85Å |
| 8 | L | 88.7 | Confident | 81.6 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58 | -38.6 | -174.8 | -68.5 | 174.7 | 0 | 0 | 0 | 112 | L3 Q6 R11 L12 L107 C110 L111 A516 | L3-L8 HydrophobicContact CD2-CD1 4.13Å; Q6-L8 HydrophobicContact CB-CD2 4.29Å; Q6-L8 HydrophobicContact CB-CG 4.07Å; Q6-L8 PolarHBondContact O-N 3.44Å; L8-R11 PolarHBondContact O-N 3.04Å; L8-L12 VanDerWaalsContact O-CB 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 3.14Å; L8-L107 HydrophobicContact CD2-CD1 4Å; L8-C110 HydrophobicContact CD2-CB 4.16Å; L8-L111 HydrophobicContact CD1-CD2 4.3Å; L8-L111 HydrophobicContact CD2-CD2 4.41Å; L8-A516 HydrophobicContact CB-CB 4.41Å |
| 9 | A | 89.4 | Confident | 82.4 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.3 | -52.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | K7 R11 L12 F13 L512 R513 A516 | K7-A9 PolarHBondContact O-N 2.8Å; A9-R11 PolarHBondContact O-N 3.43Å; A9-L12 PolarHBondContact O-N 3.15Å; A9-F13 WeakPolarHBondContact O-CB 3.49Å; A9-F13 PolarHBondContact O-N 3.39Å; A9-L512 HydrophobicContact CB-CD2 4.1Å; A9-L512 HydrophobicContact CB-CG 3.81Å; A9-R513 HydrophobicContact CB-CB 4.48Å; A9-R513 HydrophobicContact CB-CG 3.9Å; A9-A516 HydrophobicContact CB-CB 4.34Å |
| 10 | E | 93.7 | Very high | 83.1 | Confident | 35 Ų | 35 | 62.9 Ų | 62.9 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 178.4 | -64.6 | 84.8 | 167.3 | 0 | 0 | 111.5 | K7 F13 I14 R513 | K7-E10 WeakPolarHBondContact CA-OE2 3.4Å; K7-E10 HydrophobicContact CB-CB 4.34Å; K7-E10 WeakPolarHBondContact CB-OE2 3.37Å; K7-E10 PolarHBondContact O-N 3.12Å; E10-F13 PolarHBondContact O-N 3.28Å; E10-I14 HydrophobicContact CB-CD1 4.26Å; E10-I14 VanDerWaalsContact O-CB 3.29Å; E10-I14 WeakPolarHBondContact O-CB 3.19Å; E10-I14 WeakPolarHBondContact O-CD1 3.42Å; E10-I14 WeakPolarHBondContact O-CG1 3.32Å; E10-I14 PolarHBondContact O-N 2.86Å; E10-R513 IonicContact OE1-CZ 3.89Å; E10-R513 IonicContact OE1-NE 2.72Å; E10-R513 PolarHBondContact OE1-NE 3.09Å; E10-R513 IonicContact OE1-NH2 2.68Å; E10-R513 PolarHBondContact OE1-NH2 3.37Å |
| 11 | R | 94.3 | Very high | 83.8 | Confident | 71 Ų | 71 | 59.9 Ų | 59.9 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 176.8 | -71.2 | -179.7 | 67.6 | -177.5 | 0.1 | 111.7 | Q6 K7 L8 A9 L15 D106 L107 | Q6-R11 WeakPolarHBondContact O-CD 3.35Å; K7-R11 WeakPolarHBondContact O-CB 3.45Å; K7-R11 VanDerWaalsContact O-CG 3.27Å; K7-R11 WeakPolarHBondContact O-CG 3.34Å; K7-R11 PolarHBondContact O-N 2.85Å; L8-R11 PolarHBondContact O-N 3.04Å; A9-R11 PolarHBondContact O-N 3.43Å; R11-L15 WeakPolarHBondContact O-CB 3.42Å; R11-L15 PolarHBondContact O-N 2.81Å; R11-D106 IonicContact CZ-OD2 2.78Å; R11-D106 IonicContact NH1-OD2 3.09Å; R11-D106 PolarHBondContact NH1-OD2 3.25Å; R11-D106 IonicContact NH2-OD2 2.8Å; R11-D106 PolarHBondContact NH2-OD2 3.35Å; R11-L107 HydrophobicContact CB-CD1 3.95Å; R11-L107 HydrophobicContact CB-CD2 4.21Å |
| 12 | L | 93.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 175.5 | -86.3 | 170.5 | 0 | 0 | 0 | 111.7 | L8 A9 N16 L107 L111 V126 I129 L133 | L8-L12 VanDerWaalsContact O-CB 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 3.14Å; A9-L12 PolarHBondContact O-N 3.15Å; L12-N16 PolarHBondContact O-N 3.16Å; L12-N16 PolarHBondContact O-ND2 3.14Å; L12-L107 HydrophobicContact CD2-CD2 4.02Å; L12-L107 HydrophobicContact CG-CD2 4.21Å; L12-L111 HydrophobicContact CD1-CD1 4.48Å; L12-L111 HydrophobicContact CD1-CD2 4.4Å; L12-L111 HydrophobicContact CD2-CD1 3.91Å; L12-L111 HydrophobicContact CG-CD1 4.41Å; L12-V126 HydrophobicContact CD1-CG1 4.2Å; L12-I129 HydrophobicContact CB-CG2 3.89Å; L12-I129 HydrophobicContact CD2-CG2 4.34Å; L12-I129 WeakPolarHBondContact O-CG2 3.2Å; L12-L133 HydrophobicContact CD2-CD2 4.18Å |
| 13 | F | 91.7 | Very high | 88.4 | Confident | 124 Ų | 124 | 48.4 Ų | 48.4 | 54% | 0.544 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.2 | -53.7 | -179.8 | -176.7 | -96.1 | 0 | 0 | 0 | 112 | A9 E10 L15 N16 D17 | A9-F13 WeakPolarHBondContact O-CB 3.49Å; A9-F13 PolarHBondContact O-N 3.39Å; E10-F13 PolarHBondContact O-N 3.28Å; F13-L15 PolarHBondContact O-N 3.43Å; F13-N16 PolarHBondContact O-N 2.92Å; F13-D17 PolarHBondContact O-N 2.73Å |
| 14 | I | 95.5 | Very high | 90.2 | Very high | 108 Ų | 108 | 46.7 Ų | 46.7 | 55% | 0.554 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -64.3 | -40.7 | -176.8 | -66.1 | 166.1 | 0 | 0 | 0 | 111.3 | E10 D17 R18 | E10-I14 HydrophobicContact CB-CD1 4.26Å; E10-I14 VanDerWaalsContact O-CB 3.29Å; E10-I14 WeakPolarHBondContact O-CB 3.19Å; E10-I14 WeakPolarHBondContact O-CD1 3.42Å; E10-I14 WeakPolarHBondContact O-CG1 3.32Å; E10-I14 PolarHBondContact O-N 2.86Å; I14-D17 PolarHBondContact O-N 3.03Å; I14-R18 WeakPolarHBondContact O-CB 3.28Å; I14-R18 PolarHBondContact O-N 3.12Å |
| 15 | L | 97.3 | Very high | 91.9 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.8 | -34.3 | -177.5 | -171.7 | 62.1 | 0 | 0 | 0 | 112.1 | R11 F13 Q19 V100 H103 F104 L107 L133 | R11-L15 WeakPolarHBondContact O-CB 3.42Å; R11-L15 PolarHBondContact O-N 2.81Å; F13-L15 PolarHBondContact O-N 3.43Å; L15-Q19 WeakPolarHBondContact O-CB 3.29Å; L15-Q19 PolarHBondContact O-N 3.25Å; L15-V100 HydrophobicContact CD1-CG1 4.33Å; L15-H103 HydrophobicContact CD1-CB 3.91Å; L15-H103 HydrophobicContact CD2-CB 4.3Å; L15-F104 HydrophobicContact CD2-CB 4.21Å; L15-L107 HydrophobicContact CB-CD2 4.48Å; L15-L107 HydrophobicContact CD2-CB 4.37Å; L15-L107 HydrophobicContact CD2-CD2 3.87Å; L15-L133 HydrophobicContact CB-CD1 4.17Å; L15-L133 HydrophobicContact CD2-CD1 3.94Å; L15-L133 HydrophobicContact CD2-CD2 4.34Å; L15-L133 HydrophobicContact CG-CD1 3.84Å |
| 16 | N | 96.6 | Very high | 93.7 | Very high | 14 Ų | 14 | 40 Ų | 40 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.6 | -48 | 173.7 | -93.9 | -80.3 | 0 | 0 | 0 | 111.9 | L12 F13 Q19 L20 I129 L133 | L12-N16 PolarHBondContact O-N 3.16Å; L12-N16 PolarHBondContact O-ND2 3.14Å; F13-N16 PolarHBondContact O-N 2.92Å; N16-Q19 PolarHBondContact O-N 3.28Å; N16-L20 WeakPolarHBondContact O-CB 3.45Å; N16-L20 PolarHBondContact O-N 2.99Å; N16-I129 WeakPolarHBondContact ND2-CG2 3.33Å; N16-I129 PolarHBondContact ND2-O 2.81Å; N16-L133 WeakPolarHBondContact ND2-CB 3.41Å; N16-L133 VanDerWaalsContact OD1-CA 3.31Å; N16-L133 WeakPolarHBondContact OD1-CA 3.5Å; N16-L133 PolarHBondContact OD1-N 3.31Å; N16-L133 VanDerWaalsContact OD1-N 3.12Å |
| 17 | D | 96.4 | Very high | 94.9 | Very high | 87 Ų | 87 | 36.6 Ų | 36.6 | 47% | 0.465 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 177.2 | -177 | 76.3 | 0 | 0 | 0 | 111.3 | F13 I14 Q19 L20 G21 H602 | F13-D17 PolarHBondContact O-N 2.73Å; I14-D17 PolarHBondContact O-N 3.03Å; D17-Q19 VanDerWaalsContact C-N 3.29Å; D17-Q19 PolarHBondContact O-N 2.91Å; D17-L20 PolarHBondContact O-N 2.82Å; D17-G21 PolarHBondContact O-N 3.21Å; D17-H602 PolarHBondContact O-NE2 2.59Å; D17-H602 IonicContact OD1-CE1 2.77Å; D17-H602 IonicContact OD1-NE2 2.72Å |
| 18 | R | 96.9 | Very high | 95.3 | Very high | 83 Ų | 83 | 32 Ų | 32 | 31% | 0.313 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 176.3 | -176.2 | 60.2 | 179.5 | 178 | 2.9 | 111.8 | I14 G21 V22 D96 V100 | I14-R18 WeakPolarHBondContact O-CB 3.28Å; I14-R18 PolarHBondContact O-N 3.12Å; R18-G21 PolarHBondContact O-N 3.5Å; R18-V22 HydrophobicContact CG-CG2 4.5Å; R18-V22 WeakPolarHBondContact O-CB 3.41Å; R18-V22 WeakPolarHBondContact O-CG2 2.96Å; R18-V22 PolarHBondContact O-N 2.95Å; R18-D96 IonicContact CZ-OD1 2.9Å; R18-D96 IonicContact NH2-OD1 3.93Å; R18-D96 PolarHBondContact NH2-OD1 3.09Å; R18-D96 IonicContact NH2-OD2 3.81Å; R18-V100 HydrophobicContact CG-CG2 4.03Å |
| 19 | Q | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.4 | -42.2 | 179.2 | 179.2 | 175.9 | 56.7 | 0 | 0 | 112.1 | L15 N16 D17 G21 V22 L23 V100 L133 N136 Y137 M140 | L15-Q19 WeakPolarHBondContact O-CB 3.29Å; L15-Q19 PolarHBondContact O-N 3.25Å; N16-Q19 PolarHBondContact O-N 3.28Å; D17-Q19 VanDerWaalsContact C-N 3.29Å; D17-Q19 PolarHBondContact O-N 2.91Å; Q19-G21 VanDerWaalsContact C-N 3.33Å; Q19-V22 PolarHBondContact O-N 3.16Å; Q19-L23 VanDerWaalsContact O-CB 3.24Å; Q19-L23 WeakPolarHBondContact O-CB 3.49Å; Q19-L23 PolarHBondContact O-N 2.94Å; Q19-V100 HydrophobicContact CB-CG1 3.97Å; Q19-V100 HydrophobicContact CG-CG1 4.07Å; Q19-L133 PolarHBondContact NE2-O 3.25Å; Q19-L133 PolarHBondContact OE1-O 3.03Å; Q19-N136 HydrophobicContact CG-CB 3.99Å; Q19-Y137 VanDerWaalsContact NE2-CB 3.26Å; Q19-M140 HydrophobicContact CG-SD 4.42Å |
| 20 | L | 96.1 | Very high | 95.9 | Very high | 57 Ų | 57 | 33.1 Ų | 33.1 | 30% | 0.298 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 176 | -175.6 | 62.8 | 0 | 0 | 0 | 111.2 | N16 D17 L23 T24 F293 | N16-L20 WeakPolarHBondContact O-CB 3.45Å; N16-L20 PolarHBondContact O-N 2.99Å; D17-L20 PolarHBondContact O-N 2.82Å; L20-L23 PolarHBondContact O-N 3.47Å; L20-T24 WeakPolarHBondContact O-CB 3.41Å; L20-T24 PolarHBondContact O-N 3.07Å; L20-T24 PolarHBondContact O-OG1 3.07Å; L20-F293 HydrophobicContact CD1-CE2 3.84Å |
| 21 | G | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -40.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | D17 R18 Q19 T24 R25 H602 | D17-G21 PolarHBondContact O-N 3.21Å; R18-G21 PolarHBondContact O-N 3.5Å; Q19-G21 VanDerWaalsContact C-N 3.33Å; G21-T24 PolarHBondContact O-N 2.69Å; G21-R25 PolarHBondContact O-N 3.38Å; G21-H602 VanDerWaalsContact CA-ND1 3.32Å; G21-H602 WeakPolarHBondContact CA-ND1 3.37Å; G21-H602 PolarHBondContact N-NE2 3.35Å |
| 22 | V | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.9 | -43.9 | 175.8 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | R18 Q19 T24 R25 I26 D96 V97 V100 M140 | R18-V22 HydrophobicContact CG-CG2 4.5Å; R18-V22 WeakPolarHBondContact O-CB 3.41Å; R18-V22 WeakPolarHBondContact O-CG2 2.96Å; R18-V22 PolarHBondContact O-N 2.95Å; Q19-V22 PolarHBondContact O-N 3.16Å; V22-T24 VanDerWaalsContact C-N 3.29Å; V22-T24 PolarHBondContact O-N 3.47Å; V22-R25 VanDerWaalsContact CG2-NH2 3.28Å; V22-R25 PolarHBondContact O-N 3.12Å; V22-I26 HydrophobicContact CG1-CD1 3.95Å; V22-I26 WeakPolarHBondContact O-CD1 3.33Å; V22-I26 VanDerWaalsContact O-CG1 3.23Å; V22-I26 WeakPolarHBondContact O-CG1 3.3Å; V22-I26 PolarHBondContact O-N 2.8Å; V22-D96 HydrophobicContact CG1-CB 4.41Å; V22-D96 HydrophobicContact CG2-CB 4.23Å; V22-V97 HydrophobicContact CG1-CG2 3.86Å; V22-V100 HydrophobicContact CB-CG2 4.3Å; V22-V100 HydrophobicContact CG1-CG2 4.46Å; V22-V100 HydrophobicContact CG2-CG2 3.83Å; V22-M140 HydrophobicContact CB-SD 4.4Å; V22-M140 HydrophobicContact CG1-SD 3.75Å |
| 23 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.7 | -42.1 | 173.6 | 175.4 | 58.8 | 0 | 0 | 0 | 111.9 | Q19 L20 I26 H27 A139 M140 L143 F293 | Q19-L23 VanDerWaalsContact O-CB 3.24Å; Q19-L23 WeakPolarHBondContact O-CB 3.49Å; Q19-L23 PolarHBondContact O-N 2.94Å; L20-L23 PolarHBondContact O-N 3.47Å; L23-I26 PolarHBondContact O-N 2.65Å; L23-H27 WeakPolarHBondContact O-CB 3.4Å; L23-H27 PolarHBondContact O-N 3.22Å; L23-A139 HydrophobicContact CD1-CB 4.48Å; L23-A139 HydrophobicContact CD2-CB 4.12Å; L23-M140 HydrophobicContact CD1-CB 4.22Å; L23-L143 HydrophobicContact CD1-CD2 3.74Å; L23-F293 HydrophobicContact CD1-CB 4.2Å; L23-F293 HydrophobicContact CD1-CD1 4.34Å; L23-F293 HydrophobicContact CD1-CD2 4.37Å; L23-F293 HydrophobicContact CD1-CG 4.05Å; L23-F293 HydrophobicContact CD2-CB 4.28Å; L23-F293 HydrophobicContact CD2-CD2 3.32Å; L23-F293 HydrophobicContact CD2-CE2 3.71Å; L23-F293 HydrophobicContact CD2-CG 3.85Å; L23-F293 HydrophobicContact CD2-CZ 4.49Å; L23-F293 HydrophobicContact CG-CB 4.38Å; L23-F293 HydrophobicContact CG-CD1 4.09Å; L23-F293 HydrophobicContact CG-CD2 3.63Å; L23-F293 HydrophobicContact CG-CE1 4.25Å; L23-F293 HydrophobicContact CG-CE2 3.82Å; L23-F293 HydrophobicContact CG-CG 3.77Å; L23-F293 HydrophobicContact CG-CZ 4.12Å |
| 24 | T | 97.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.025 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 176 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | L20 G21 V22 I26 H27 H28 F293 H602 C605 E608 | L20-T24 WeakPolarHBondContact O-CB 3.41Å; L20-T24 PolarHBondContact O-N 3.07Å; L20-T24 PolarHBondContact O-OG1 3.07Å; G21-T24 PolarHBondContact O-N 2.69Å; V22-T24 VanDerWaalsContact C-N 3.29Å; V22-T24 PolarHBondContact O-N 3.47Å; T24-I26 VanDerWaalsContact C-N 3.34Å; T24-I26 PolarHBondContact O-N 3.45Å; T24-H27 WeakPolarHBondContact O-CB 3.38Å; T24-H27 PolarHBondContact O-N 3.27Å; T24-H28 WeakPolarHBondContact O-CB 3.45Å; T24-H28 PolarHBondContact O-N 2.91Å; T24-F293 WeakPolarHBondContact OG1-CZ 3.4Å; T24-H602 HydrophobicContact CG2-CB 4Å; T24-C605 HydrophobicContact CG2-CB 3.82Å; T24-E608 WeakPolarHBondContact CG2-OE1 3.38Å |
| 25 | R | 96.1 | Very high | 95.3 | Very high | 33 Ų | 33 | 26.8 Ų | 26.8 | 13% | 0.125 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 176.6 | -76 | -171.7 | -70.1 | 161.4 | 1.3 | 113.1 | G21 V22 H28 M29 D96 L604 C605 | G21-R25 PolarHBondContact O-N 3.38Å; V22-R25 VanDerWaalsContact CG2-NH2 3.28Å; V22-R25 PolarHBondContact O-N 3.12Å; R25-H28 PolarHBondContact O-N 3.26Å; R25-M29 VanDerWaalsContact O-CB 3.29Å; R25-M29 WeakPolarHBondContact O-CB 3.4Å; R25-M29 PolarHBondContact O-N 2.88Å; R25-D96 IonicContact CZ-OD2 2.82Å; R25-D96 IonicContact NH1-OD2 3.02Å; R25-D96 PolarHBondContact NH1-OD2 2.95Å; R25-D96 IonicContact NH2-OD1 2.72Å; R25-D96 IonicContact NH2-OD2 3.71Å; R25-D96 PolarHBondContact NH2-OD2 2.87Å; R25-L604 WeakPolarHBondContact CD-O 3.21Å; R25-L604 WeakPolarHBondContact CG-O 3.22Å; R25-C605 HydrophobicContact CG-CB 3.65Å |
| 26 | I | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.1 | -42.3 | 177.3 | -66.9 | 163.7 | 0 | 0 | 0 | 111 | V22 L23 T24 M29 K30 V97 M140 L143 I144 I147 | V22-I26 HydrophobicContact CG1-CD1 3.95Å; V22-I26 WeakPolarHBondContact O-CD1 3.33Å; V22-I26 VanDerWaalsContact O-CG1 3.23Å; V22-I26 WeakPolarHBondContact O-CG1 3.3Å; V22-I26 PolarHBondContact O-N 2.8Å; L23-I26 PolarHBondContact O-N 2.65Å; T24-I26 VanDerWaalsContact C-N 3.34Å; T24-I26 PolarHBondContact O-N 3.45Å; I26-M29 PolarHBondContact O-N 2.74Å; I26-K30 WeakPolarHBondContact O-CB 3.48Å; I26-K30 PolarHBondContact O-N 3.41Å; I26-V97 HydrophobicContact CD1-CG2 3.12Å; I26-V97 HydrophobicContact CG1-CG2 3.94Å; I26-M140 HydrophobicContact CD1-CG 3.64Å; I26-M140 HydrophobicContact CD1-SD 4.47Å; I26-L143 HydrophobicContact CG2-CD2 4Å; I26-L143 HydrophobicContact CG2-CG 4.22Å; I26-I144 HydrophobicContact CG2-CG1 4.36Å; I26-I147 HydrophobicContact CG2-CD1 3.34Å; I26-I147 HydrophobicContact CG2-CG1 4.4Å |
| 27 | H | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 174.5 | 172.5 | -99.7 | 0 | 0 | 0 | 111.4 | L23 T24 M29 K30 Q31 L143 F293 R294 E295 F565 | L23-H27 WeakPolarHBondContact O-CB 3.4Å; L23-H27 PolarHBondContact O-N 3.22Å; T24-H27 WeakPolarHBondContact O-CB 3.38Å; T24-H27 PolarHBondContact O-N 3.27Å; H27-M29 PolarHBondContact O-N 2.92Å; H27-K30 WeakPolarHBondContact O-CB 3.23Å; H27-K30 PolarHBondContact O-N 3.48Å; H27-Q31 PolarHBondContact CE1-NE2 3.27Å; H27-Q31 PolarHBondContact NE2-NE2 3.11Å; H27-Q31 PolarHBondContact O-N 3.4Å; H27-L143 HydrophobicContact CB-CD2 3.96Å; H27-F293 HydrophobicContact CB-CD1 3.61Å; H27-F293 HydrophobicContact CB-CE1 3.59Å; H27-F293 AromaticContact CD2-CD1 3.95Å; H27-F293 AromaticContact CG-CD1 3.68Å; H27-F293 AromaticContact CG-CE1 3.75Å; H27-R294 VanDerWaalsContact CE1-CD 3.42Å; H27-R294 WeakPolarHBondContact CE1-CD 3.43Å; H27-R294 PolarHBondContact ND1-NH1 3.49Å; H27-E295 IonicContact CD2-OE1 2.86Å; H27-E295 IonicContact CE1-OE1 3.21Å; H27-E295 PolarHBondContact CE1-OE1 2.86Å; H27-E295 IonicContact CE1-OE2 3.66Å; H27-E295 PolarHBondContact CE1-OE2 3.02Å; H27-E295 IonicContact NE2-OE1 3.42Å; H27-E295 PolarHBondContact NE2-OE1 3.38Å; H27-E295 IonicContact NE2-OE2 2.67Å; H27-E295 PolarHBondContact NE2-OE2 3.02Å; H27-F565 AromaticContact CE1-CE1 3.97Å |
| 28 | H | 94.9 | Very high | 93.9 | Very high | 31 Ų | 31 | 39.1 Ų | 39.1 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -47.4 | 174.4 | 179.7 | 63.3 | 0 | 0 | 0 | 112 | T24 R25 K30 Q31 M32 | T24-H28 WeakPolarHBondContact O-CB 3.45Å; T24-H28 PolarHBondContact O-N 2.91Å; R25-H28 PolarHBondContact O-N 3.26Å; H28-K30 VanDerWaalsContact C-N 3.31Å; H28-K30 PolarHBondContact O-N 3.39Å; H28-Q31 WeakPolarHBondContact O-CB 3.42Å; H28-Q31 PolarHBondContact O-N 3.21Å; H28-Q31 VanDerWaalsContact O-N 3.1Å; H28-M32 WeakPolarHBondContact O-CG 3.36Å; H28-M32 PolarHBondContact O-N 3.08Å |
| 29 | M | 95 | Very high | 93.7 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.015 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.9 | -44.3 | 174.5 | 170.1 | 169.5 | 78.9 | 0 | 0 | 111.8 | R25 I26 H27 Q31 M32 L33 Y90 N93 F94 I147 | R25-M29 VanDerWaalsContact O-CB 3.29Å; R25-M29 WeakPolarHBondContact O-CB 3.4Å; R25-M29 PolarHBondContact O-N 2.88Å; I26-M29 PolarHBondContact O-N 2.74Å; H27-M29 PolarHBondContact O-N 2.92Å; M29-Q31 VanDerWaalsContact C-N 3.34Å; M29-Q31 PolarHBondContact O-N 2.77Å; M29-M32 PolarHBondContact O-N 3.49Å; M29-L33 HydrophobicContact CG-CD1 3.75Å; M29-L33 HydrophobicContact CG-CG 4.39Å; M29-L33 WeakPolarHBondContact O-CB 3.36Å; M29-L33 VanDerWaalsContact O-CG 3.29Å; M29-L33 WeakPolarHBondContact O-CG 3.08Å; M29-L33 PolarHBondContact O-N 3.28Å; M29-Y90 HydrophobicContact CG-CD1 3.68Å; M29-Y90 HydrophobicContact CG-CE1 4.23Å; M29-Y90 HydrophobicContact SD-CD1 3.76Å; M29-Y90 HydrophobicContact SD-CG 4.37Å; M29-N93 HydrophobicContact CE-CB 4.23Å; M29-N93 HydrophobicContact SD-CB 4.1Å; M29-F94 HydrophobicContact CE-CD1 4.28Å; M29-F94 HydrophobicContact CE-CD2 4.38Å; M29-F94 HydrophobicContact CE-CE1 3.62Å; M29-F94 HydrophobicContact CE-CE2 3.74Å; M29-F94 HydrophobicContact CE-CZ 3.31Å; M29-F94 HydrophobicContact SD-CE2 4.14Å; M29-F94 HydrophobicContact SD-CZ 4.24Å; M29-I147 HydrophobicContact CE-CD1 3.67Å; M29-I147 HydrophobicContact CE-CG2 4.42Å |
| 30 | K | 95.8 | Very high | 93.5 | Very high | 28 Ų | 28 | 38.8 Ų | 38.8 | 12% | 0.122 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 175.5 | -178.2 | -173.9 | 168.8 | -73.5 | 0 | 111.3 | I26 H27 H28 L33 T34 L143 R146 I147 E296 | I26-K30 WeakPolarHBondContact O-CB 3.48Å; I26-K30 PolarHBondContact O-N 3.41Å; H27-K30 WeakPolarHBondContact O-CB 3.23Å; H27-K30 PolarHBondContact O-N 3.48Å; H28-K30 VanDerWaalsContact C-N 3.31Å; H28-K30 PolarHBondContact O-N 3.39Å; K30-L33 PolarHBondContact O-N 2.83Å; K30-T34 WeakPolarHBondContact O-CB 3.47Å; K30-T34 PolarHBondContact O-N 3.4Å; K30-T34 PolarHBondContact O-OG1 3.34Å; K30-L143 HydrophobicContact CD-CD1 3.96Å; K30-R146 HydrophobicContact CD-CB 4.27Å; K30-R146 WeakPolarHBondContact CE-O 3.27Å; K30-I147 HydrophobicContact CB-CG1 4.16Å; K30-I147 HydrophobicContact CG-CG1 4.41Å; K30-E296 WeakPolarHBondContact CE-OE1 3.22Å; K30-E296 IonicContact NZ-OE1 2.79Å; K30-E296 PolarHBondContact NZ-OE1 3.35Å |
| 31 | Q | 92.6 | Very high | 93.2 | Very high | 42 Ų | 42 | 40.8 Ų | 40.8 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -47.9 | 178.6 | -69.8 | -175.4 | -22.7 | 0 | 0 | 111.1 | H27 H28 M29 L33 T34 I35 E295 | H27-Q31 PolarHBondContact CE1-NE2 3.27Å; H27-Q31 PolarHBondContact NE2-NE2 3.11Å; H27-Q31 PolarHBondContact O-N 3.4Å; H28-Q31 WeakPolarHBondContact O-CB 3.42Å; H28-Q31 PolarHBondContact O-N 3.21Å; H28-Q31 VanDerWaalsContact O-N 3.1Å; M29-Q31 VanDerWaalsContact C-N 3.34Å; M29-Q31 PolarHBondContact O-N 2.77Å; Q31-L33 VanDerWaalsContact C-N 3.31Å; Q31-L33 PolarHBondContact O-N 3.31Å; Q31-T34 PolarHBondContact O-N 3.38Å; Q31-T34 VanDerWaalsContact O-N 3.08Å; Q31-I35 WeakPolarHBondContact O-CG1 3.43Å; Q31-I35 PolarHBondContact O-N 3.34Å; Q31-E295 PolarHBondContact NE2-OE1 2.77Å |
| 32 | M | 90.9 | Very high | 93 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -37.5 | 178.5 | -65 | -58.5 | 99.6 | 0 | 0 | 112.8 | H28 M29 T34 I35 Y38 R39 | H28-M32 WeakPolarHBondContact O-CG 3.36Å; H28-M32 PolarHBondContact O-N 3.08Å; M29-M32 PolarHBondContact O-N 3.49Å; M32-T34 VanDerWaalsContact C-N 3.31Å; M32-T34 PolarHBondContact O-N 2.76Å; M32-I35 HydrophobicContact CE-CD1 4.13Å; M32-Y38 HydrophobicContact CE-CD2 3.99Å; M32-Y38 HydrophobicContact CE-CE2 4.37Å; M32-Y38 CarbonylContact O-C 3.49Å; M32-Y38 HydrophobicContact SD-CD2 3.79Å; M32-Y38 HydrophobicContact SD-CE2 4.45Å; M32-Y38 HydrophobicContact SD-CG 3.87Å; M32-R39 PolarHBondContact O-N 3.15Å |
| 33 | L | 94.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -76.2 | -16.8 | 177 | -68.5 | 171.8 | 0 | 0 | 0 | 113.6 | M29 K30 Q31 R39 L43 Y90 I147 I153 | M29-L33 HydrophobicContact CG-CD1 3.75Å; M29-L33 HydrophobicContact CG-CG 4.39Å; M29-L33 WeakPolarHBondContact O-CB 3.36Å; M29-L33 VanDerWaalsContact O-CG 3.29Å; M29-L33 WeakPolarHBondContact O-CG 3.08Å; M29-L33 PolarHBondContact O-N 3.28Å; K30-L33 PolarHBondContact O-N 2.83Å; Q31-L33 VanDerWaalsContact C-N 3.31Å; Q31-L33 PolarHBondContact O-N 3.31Å; L33-R39 VanDerWaalsContact O-CD 3.24Å; L33-R39 WeakPolarHBondContact O-CD 3.45Å; L33-R39 WeakPolarHBondContact O-CG 3.47Å; L33-L43 HydrophobicContact CD2-CD1 3.71Å; L33-Y90 HydrophobicContact CD1-CD1 4.49Å; L33-Y90 HydrophobicContact CD2-CD1 4.46Å; L33-Y90 HydrophobicContact CD2-CE1 4.06Å; L33-Y90 HydrophobicContact CG-CE1 4.19Å; L33-I147 HydrophobicContact CD1-CG2 3.73Å; L33-I153 HydrophobicContact CD1-CD1 3.73Å; L33-I153 HydrophobicContact CD2-CD1 4.26Å |
| 34 | T | 90.8 | Very high | 92.5 | Very high | 82 Ų | 82 | 42.8 Ų | 42.8 | 50% | 0.503 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -89.9 | -35.5 | 178.3 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | K30 Q31 M32 P36 | K30-T34 WeakPolarHBondContact O-CB 3.47Å; K30-T34 PolarHBondContact O-N 3.4Å; K30-T34 PolarHBondContact O-OG1 3.34Å; Q31-T34 PolarHBondContact O-N 3.38Å; Q31-T34 VanDerWaalsContact O-N 3.08Å; M32-T34 VanDerWaalsContact C-N 3.31Å; M32-T34 PolarHBondContact O-N 2.76Å; T34-P36 WeakPolarHBondContact O-CD 3.09Å |
| 35 | I | 87.8 | Confident | 92.1 | Very high | 55 Ų | 55 | 45.9 Ų | 45.9 | 28% | 0.282 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -77.3 | 115.6 | -177.7 | -64.5 | 166.1 | 0 | 0 | 0 | 109.3 | Q31 M32 E37 Y38 R39 | Q31-I35 WeakPolarHBondContact O-CG1 3.43Å; Q31-I35 PolarHBondContact O-N 3.34Å; M32-I35 HydrophobicContact CE-CD1 4.13Å; I35-E37 HydrophobicContact CG2-CB 4.24Å; I35-E37 WeakPolarHBondContact CG2-OE2 3.34Å; I35-E37 PolarHBondContact O-N 3.34Å; I35-E37 VanDerWaalsContact O-N 3.12Å; I35-Y38 HydrophobicContact CB-CD2 3.91Å; I35-Y38 HydrophobicContact CD1-CD2 4.12Å; I35-Y38 HydrophobicContact CD1-CE2 4.38Å; I35-Y38 HydrophobicContact CG2-CD2 3.52Å; I35-Y38 HydrophobicContact CG2-CE2 3.99Å; I35-Y38 HydrophobicContact CG2-CG 4.42Å; I35-Y38 PolarHBondContact O-N 2.88Å; I35-R39 WeakPolarHBondContact O-CB 3.17Å; I35-R39 PolarHBondContact O-N 2.93Å |
| 36 | P | 86.4 | Confident | 91.8 | Very high | 103 Ų | 103 | 45.9 Ų | 45.9 | 67% | 0.669 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -31.9 | -174.4 | -27.2 | 35.8 | 0 | 0 | 0 | 114.7 | T34 Y38 | T34-P36 WeakPolarHBondContact O-CD 3.09Å; P36-Y38 VanDerWaalsContact C-N 3.33Å; P36-Y38 PolarHBondContact O-N 3.23Å |
| 37 | E | 87.3 | Confident | 91.6 | Very high | 153 Ų | 153 | 49.4 Ų | 49.4 | 72% | 0.715 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -30.6 | 179.7 | -64.6 | 79.6 | -175.9 | 0 | 0 | 113.1 | I35 | I35-E37 HydrophobicContact CG2-CB 4.24Å; I35-E37 WeakPolarHBondContact CG2-OE2 3.34Å; I35-E37 PolarHBondContact O-N 3.34Å; I35-E37 VanDerWaalsContact O-N 3.12Å |
| 38 | Y | 87 | Confident | 91.3 | Very high | 120 Ų | 120 | 57.7 Ų | 57.7 | 47% | 0.471 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -20.6 | -178.7 | -59.1 | -55.7 | 0 | 0 | 0 | 112.9 | M32 I35 P36 P40 | M32-Y38 HydrophobicContact CE-CD2 3.99Å; M32-Y38 HydrophobicContact CE-CE2 4.37Å; M32-Y38 CarbonylContact O-C 3.49Å; M32-Y38 HydrophobicContact SD-CD2 3.79Å; M32-Y38 HydrophobicContact SD-CE2 4.45Å; M32-Y38 HydrophobicContact SD-CG 3.87Å; I35-Y38 HydrophobicContact CB-CD2 3.91Å; I35-Y38 HydrophobicContact CD1-CD2 4.12Å; I35-Y38 HydrophobicContact CD1-CE2 4.38Å; I35-Y38 HydrophobicContact CG2-CD2 3.52Å; I35-Y38 HydrophobicContact CG2-CE2 3.99Å; I35-Y38 HydrophobicContact CG2-CG 4.42Å; I35-Y38 PolarHBondContact O-N 2.88Å; P36-Y38 VanDerWaalsContact C-N 3.33Å; P36-Y38 PolarHBondContact O-N 3.23Å; Y38-P40 WeakPolarHBondContact O-CD 3.4Å |
| 39 | R | 92.7 | Very high | 91 | Very high | 57 Ų | 57 | 58.9 Ų | 58.9 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -65.4 | 122.5 | -179.9 | -174 | -177.3 | 179.5 | -106.6 | 4.7 | 110.4 | M32 L33 I35 T41 L43 P44 D149 | M32-R39 PolarHBondContact O-N 3.15Å; L33-R39 VanDerWaalsContact O-CD 3.24Å; L33-R39 WeakPolarHBondContact O-CD 3.45Å; L33-R39 WeakPolarHBondContact O-CG 3.47Å; I35-R39 WeakPolarHBondContact O-CB 3.17Å; I35-R39 PolarHBondContact O-N 2.93Å; R39-T41 PolarHBondContact O-N 3.13Å; R39-L43 HydrophobicContact CG-CD1 4.24Å; R39-P44 PolarHBondContact NH1-O 2.8Å; R39-P44 PolarHBondContact NH2-O 3.48Å; R39-D149 IonicContact CZ-OD2 2.91Å; R39-D149 VanDerWaalsContact CZ-OD2 3.25Å; R39-D149 IonicContact NE-OD2 3.86Å; R39-D149 PolarHBondContact NE-OD2 3.1Å; R39-D149 IonicContact NH2-OD1 2.92Å; R39-D149 PolarHBondContact NH2-OD1 2.92Å; R39-D149 IonicContact NH2-OD2 3.56Å; R39-D149 PolarHBondContact NH2-OD2 3.06Å |
| 40 | P | 92.2 | Very high | 90.8 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | trans | -57.4 | 124.7 | 178 | -24.3 | 32.3 | 0 | 0 | 0 | 112.3 | Y38 V42 L43 M86 Y90 | Y38-P40 WeakPolarHBondContact O-CD 3.4Å; P40-V42 HydrophobicContact CB-CG1 4.1Å; P40-V42 PolarHBondContact O-N 2.82Å; P40-L43 HydrophobicContact CB-CD1 4.27Å; P40-L43 HydrophobicContact CB-CG 4.22Å; P40-L43 HydrophobicContact CG-CD1 4.23Å; P40-L43 WeakPolarHBondContact O-CB 3.27Å; P40-L43 PolarHBondContact O-N 2.84Å; P40-L43 VanDerWaalsContact O-N 3.07Å; P40-M86 HydrophobicContact CB-CE 3.82Å; P40-M86 HydrophobicContact CB-SD 3.9Å; P40-M86 HydrophobicContact CG-CE 4.29Å; P40-M86 HydrophobicContact CG-CG 4.48Å; P40-M86 HydrophobicContact CG-SD 3.68Å; P40-Y90 HydrophobicContact CG-CE2 3.88Å | ||
| 41 | T | 90.7 | Very high | 90.5 | Very high | 99 Ų | 99 | 61 Ų | 61 | 61% | 0.607 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.6 | -176.9 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | R39 L43 G46 D47 | R39-T41 PolarHBondContact O-N 3.13Å; T41-L43 VanDerWaalsContact C-N 3.25Å; T41-L43 PolarHBondContact O-N 3.19Å; T41-G46 CarbonylContact O-C 3.58Å; T41-G46 VanDerWaalsContact O-CA 3.28Å; T41-G46 WeakPolarHBondContact O-CA 3.39Å; T41-D47 PolarHBondContact O-N 2.9Å |
| 42 | V | 91.9 | Very high | 90.3 | Very high | 8 Ų | 8 | 60.6 Ų | 60.6 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -19.7 | 173.8 | 66.3 | 0 | 0 | 0 | 0 | 113.3 | P40 F50 W54 F76 L83 M86 | P40-V42 HydrophobicContact CB-CG1 4.1Å; P40-V42 PolarHBondContact O-N 2.82Å; V42-F50 HydrophobicContact CB-CE2 4.41Å; V42-F50 HydrophobicContact CB-CZ 4.5Å; V42-F50 HydrophobicContact CG2-CD1 3.71Å; V42-F50 HydrophobicContact CG2-CD2 4.07Å; V42-F50 HydrophobicContact CG2-CE1 3.64Å; V42-F50 HydrophobicContact CG2-CE2 4.03Å; V42-F50 HydrophobicContact CG2-CG 3.91Å; V42-F50 HydrophobicContact CG2-CZ 3.81Å; V42-W54 PolarHBondContact O-NE1 3Å; V42-F76 HydrophobicContact CG2-CD1 4.32Å; V42-F76 HydrophobicContact CG2-CE1 3.85Å; V42-L83 HydrophobicContact CB-CD2 3.89Å; V42-L83 HydrophobicContact CG1-CD2 3.66Å; V42-L83 HydrophobicContact CG2-CD1 4.2Å; V42-L83 HydrophobicContact CG2-CD2 3.61Å; V42-M86 HydrophobicContact CG1-CE 3.36Å |
| 43 | L | 93.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -67.4 | 158.4 | 177.8 | -67.3 | 175.4 | 0 | 0 | 0 | 111.2 | L33 R39 P40 T41 G45 G46 W54 D149 I153 | L33-L43 HydrophobicContact CD2-CD1 3.71Å; R39-L43 HydrophobicContact CG-CD1 4.24Å; P40-L43 HydrophobicContact CB-CD1 4.27Å; P40-L43 HydrophobicContact CB-CG 4.22Å; P40-L43 HydrophobicContact CG-CD1 4.23Å; P40-L43 WeakPolarHBondContact O-CB 3.27Å; P40-L43 PolarHBondContact O-N 2.84Å; P40-L43 VanDerWaalsContact O-N 3.07Å; T41-L43 VanDerWaalsContact C-N 3.25Å; T41-L43 PolarHBondContact O-N 3.19Å; L43-G45 PolarHBondContact O-N 3.31Å; L43-G46 PolarHBondContact O-N 3.36Å; L43-G46 VanDerWaalsContact O-N 3.09Å; L43-W54 HydrophobicContact CD2-CZ2 4.41Å; L43-D149 HydrophobicContact CD1-CB 4.13Å; L43-D149 HydrophobicContact CD2-CB 4.3Å; L43-I153 HydrophobicContact CD2-CG1 4.08Å |
| 44 | P | 92.7 | Very high | 90.1 | Very high | 33 Ų | 33 | 59.8 Ų | 59.8 | 21% | 0.214 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 134.4 | -175.9 | -27.4 | 34.8 | 0 | 0 | 0 | 113.2 | R39 G46 W54 L58 A152 | R39-P44 PolarHBondContact NH1-O 2.8Å; R39-P44 PolarHBondContact NH2-O 3.48Å; P44-G46 VanDerWaalsContact C-N 3.32Å; P44-W54 HydrophobicContact CG-CD2 3.71Å; P44-W54 HydrophobicContact CG-CE3 4.02Å; P44-W54 HydrophobicContact CG-CG 4.09Å; P44-W54 HydrophobicContact CG-CH2 4.47Å; P44-W54 HydrophobicContact CG-CZ2 4.18Å; P44-W54 HydrophobicContact CG-CZ3 4.39Å; P44-L58 HydrophobicContact CG-CD1 4.22Å; P44-A152 HydrophobicContact CG-CB 3.71Å |
| 45 | G | 88.5 | Confident | 90 | Very high | 70 Ų | 70 | 63.6 Ų | 63.6 | 72% | 0.722 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 2.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L43 | L43-G45 PolarHBondContact O-N 3.31Š|
| 46 | G | 89.7 | Confident | 90 | Very high | 33 Ų | 33 | 62.1 Ų | 62.1 | 34% | 0.34 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -86.5 | -109.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T41 L43 P44 K48 | T41-G46 CarbonylContact O-C 3.58Å; T41-G46 VanDerWaalsContact O-CA 3.28Å; T41-G46 WeakPolarHBondContact O-CA 3.39Å; L43-G46 PolarHBondContact O-N 3.36Å; L43-G46 VanDerWaalsContact O-N 3.09Å; P44-G46 VanDerWaalsContact C-N 3.32Å; G46-K48 PolarHBondContact O-N 3.3Å |
| 47 | D | 91.3 | Very high | 90.2 | Very high | 74 Ų | 74 | 57.4 Ų | 57.4 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | trans | -72.2 | 118.6 | -178.9 | -179.1 | 1.6 | 0 | 0 | 0 | 111.7 | T41 A49 F50 | T41-D47 PolarHBondContact O-N 2.9Å; D47-A49 PolarHBondContact O-N 3.49Å; D47-A49 VanDerWaalsContact O-N 3.08Å; D47-A49 WeakPolarHBondContact OD1-CB 3.25Å; D47-A49 PolarHBondContact OD1-N 2.77Å; D47-F50 HydrophobicContact CB-CD2 3.87Å; D47-F50 HydrophobicContact CB-CE2 4.19Å; D47-F50 PolarHBondContact O-N 3.48Å | ||
| 48 | K | 90.4 | Very high | 90.3 | Very high | 173 Ų | 173 | 53.1 Ų | 53.1 | 75% | 0.752 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -58.5 | -21.7 | 179.8 | -66 | -176 | 178.7 | 177.9 | 0 | 113.1 | G46 F50 D51 | G46-K48 PolarHBondContact O-N 3.3Å; K48-F50 PolarHBondContact O-N 3.47Å; K48-D51 PolarHBondContact O-N 3.49Å |
| 49 | A | 89.4 | Confident | 90.3 | Very high | 57 Ų | 57 | 55.7 Ų | 55.7 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -58.3 | -28.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D47 P75 | D47-A49 PolarHBondContact O-N 3.49Å; D47-A49 VanDerWaalsContact O-N 3.08Å; D47-A49 WeakPolarHBondContact OD1-CB 3.25Å; D47-A49 PolarHBondContact OD1-N 2.77Å; A49-P75 VanDerWaalsContact O-CG 3.32Å; A49-P75 WeakPolarHBondContact O-CG 3.39Å |
| 50 | F | 91.2 | Very high | 89.9 | Confident | 13 Ų | 13 | 58 Ų | 58 | 6% | 0.057 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -94.3 | -7.8 | -178.3 | -61.8 | -87.8 | 0 | 0 | 0 | 114 | V42 D47 K48 G52 A53 W54 P75 F76 L83 | V42-F50 HydrophobicContact CB-CE2 4.41Å; V42-F50 HydrophobicContact CB-CZ 4.5Å; V42-F50 HydrophobicContact CG2-CD1 3.71Å; V42-F50 HydrophobicContact CG2-CD2 4.07Å; V42-F50 HydrophobicContact CG2-CE1 3.64Å; V42-F50 HydrophobicContact CG2-CE2 4.03Å; V42-F50 HydrophobicContact CG2-CG 3.91Å; V42-F50 HydrophobicContact CG2-CZ 3.81Å; D47-F50 HydrophobicContact CB-CD2 3.87Å; D47-F50 HydrophobicContact CB-CE2 4.19Å; D47-F50 PolarHBondContact O-N 3.48Å; K48-F50 PolarHBondContact O-N 3.47Å; F50-G52 VanDerWaalsContact C-N 3.3Å; F50-G52 PolarHBondContact O-N 3.18Å; F50-A53 WeakPolarHBondContact O-CA 3.19Å; F50-A53 WeakPolarHBondContact O-CB 3.16Å; F50-A53 PolarHBondContact O-N 3.13Å; F50-W54 PolarHBondContact O-N 2.91Å; F50-P75 HydrophobicContact CD1-CB 3.61Å; F50-P75 HydrophobicContact CE1-CB 3.65Å; F50-P75 HydrophobicContact CG-CB 4.33Å; F50-P75 HydrophobicContact CZ-CB 4.38Å; F50-F76 HydrophobicContact CB-CE1 4.32Å; F50-F76 AromaticContact CD1-CD1 3.47Å; F50-F76 HydrophobicContact CD1-CD1 3.47Å; F50-F76 VanDerWaalsContact CD1-CD1 3.47Å; F50-F76 AromaticContact CD1-CE1 3.38Å; F50-F76 HydrophobicContact CD1-CE1 3.38Å; F50-F76 HydrophobicContact CD1-CG 4.38Å; F50-F76 HydrophobicContact CD1-CZ 4.24Å; F50-F76 AromaticContact CE1-CD1 3.75Å; F50-F76 HydrophobicContact CE1-CD1 3.75Å; F50-F76 HydrophobicContact CE1-CE1 4.05Å; F50-F76 HydrophobicContact CG-CE1 4.19Å; F50-L83 HydrophobicContact CE1-CD1 4.48Å |
| 51 | D | 89.6 | Confident | 89.8 | Confident | 62 Ų | 62 | 59 Ų | 59 | 33% | 0.332 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.2 | -40.2 | -175.6 | -81.4 | -11 | 0 | 0 | 0 | 112.9 | K48 A53 K55 | K48-D51 PolarHBondContact O-N 3.49Å; D51-A53 VanDerWaalsContact C-N 3.33Å; D51-K55 WeakPolarHBondContact O-CG 3.34Å; D51-K55 PolarHBondContact O-N 3.44Å |
| 52 | G | 88 | Confident | 89.8 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | F50 V56 | F50-G52 VanDerWaalsContact C-N 3.3Å; F50-G52 PolarHBondContact O-N 3.18Å; G52-V56 PolarHBondContact O-N 3.25Å |
| 53 | A | 89.8 | Confident | 89.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69 | -44.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F50 D51 K55 V56 L57 S72 M73 F76 | F50-A53 WeakPolarHBondContact O-CA 3.19Å; F50-A53 WeakPolarHBondContact O-CB 3.16Å; F50-A53 PolarHBondContact O-N 3.13Å; D51-A53 VanDerWaalsContact C-N 3.33Å; A53-K55 PolarHBondContact O-N 3.24Å; A53-V56 PolarHBondContact O-N 3.07Å; A53-V56 VanDerWaalsContact O-N 3.12Å; A53-L57 WeakPolarHBondContact O-CB 3.33Å; A53-L57 PolarHBondContact O-N 3.27Å; A53-S72 WeakPolarHBondContact CA-O 3.17Å; A53-S72 VanDerWaalsContact CB-O 3.22Å; A53-S72 WeakPolarHBondContact CB-O 3.39Å; A53-S72 PolarHBondContact N-O 3.21Å; A53-M73 HydrophobicContact CB-SD 3.99Å; A53-F76 HydrophobicContact CB-CD2 3.53Å; A53-F76 HydrophobicContact CB-CE2 3.26Å; A53-F76 HydrophobicContact CB-CG 4.35Å; A53-F76 HydrophobicContact CB-CZ 3.89Å |
| 54 | W | 92 | Very high | 88.7 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 176.5 | -79.8 | 122 | 0 | 0 | 0 | 113.1 | V42 L43 P44 F50 V56 L57 L58 F76 A152 I155 L156 | V42-W54 PolarHBondContact O-NE1 3Å; L43-W54 HydrophobicContact CD2-CZ2 4.41Å; P44-W54 HydrophobicContact CG-CD2 3.71Å; P44-W54 HydrophobicContact CG-CE3 4.02Å; P44-W54 HydrophobicContact CG-CG 4.09Å; P44-W54 HydrophobicContact CG-CH2 4.47Å; P44-W54 HydrophobicContact CG-CZ2 4.18Å; P44-W54 HydrophobicContact CG-CZ3 4.39Å; F50-W54 PolarHBondContact O-N 2.91Å; W54-V56 VanDerWaalsContact C-N 3.25Å; W54-V56 PolarHBondContact O-N 3.34Å; W54-L57 HydrophobicContact CE3-CD2 4.17Å; W54-L57 HydrophobicContact CZ3-CD2 3.82Å; W54-L57 PolarHBondContact O-N 3.31Å; W54-L58 HydrophobicContact CE3-CD1 3.94Å; W54-L58 HydrophobicContact CE3-CG 4.01Å; W54-L58 WeakPolarHBondContact O-CB 3.43Å; W54-L58 PolarHBondContact O-N 3.1Å; W54-F76 AromaticContact CD2-CZ 3.83Å; W54-F76 HydrophobicContact CD2-CZ 3.83Å; W54-F76 AromaticContact CE2-CZ 3.6Å; W54-F76 HydrophobicContact CE3-CZ 4.32Å; W54-F76 HydrophobicContact CG-CZ 4.21Å; W54-F76 HydrophobicContact CH2-CZ 4.36Å; W54-F76 HydrophobicContact CZ2-CE1 4.21Å; W54-F76 AromaticContact CZ2-CZ 3.89Å; W54-F76 HydrophobicContact CZ2-CZ 3.89Å; W54-F76 AromaticContact NE1-CZ 3.83Å; W54-A152 HydrophobicContact CE3-CB 4.31Å; W54-A152 HydrophobicContact CH2-CB 3.54Å; W54-A152 WeakPolarHBondContact CH2-O 3.49Å; W54-A152 HydrophobicContact CZ2-CB 4.32Å; W54-A152 HydrophobicContact CZ3-CB 3.53Å; W54-I155 HydrophobicContact CZ3-CG2 4.32Å; W54-L156 HydrophobicContact CH2-CB 3.66Å; W54-L156 HydrophobicContact CH2-CD2 3.52Å; W54-L156 HydrophobicContact CH2-CG 4.16Å; W54-L156 HydrophobicContact CZ2-CD2 3.61Å; W54-L156 HydrophobicContact CZ3-CB 4.15Å |
| 55 | K | 88.5 | Confident | 87.8 | Confident | 162 Ų | 162 | 63.1 Ų | 63.1 | 70% | 0.704 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59 | -36.7 | 173.8 | -79.1 | 176.4 | -176.3 | 174.8 | 0 | 112.3 | D51 A53 K59 | D51-K55 WeakPolarHBondContact O-CG 3.34Å; D51-K55 PolarHBondContact O-N 3.44Å; A53-K55 PolarHBondContact O-N 3.24Å; K55-K59 WeakPolarHBondContact O-CB 3.43Å |
| 56 | V | 88 | Confident | 86.9 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -73.1 | -49.2 | 176.5 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | G52 A53 W54 K59 N69 M73 | G52-V56 PolarHBondContact O-N 3.25Å; A53-V56 PolarHBondContact O-N 3.07Å; A53-V56 VanDerWaalsContact O-N 3.12Å; W54-V56 VanDerWaalsContact C-N 3.25Å; W54-V56 PolarHBondContact O-N 3.34Å; V56-K59 PolarHBondContact O-N 2.88Å; V56-N69 HydrophobicContact CG2-CB 3.9Å; V56-M73 HydrophobicContact CB-SD 4.18Å; V56-M73 HydrophobicContact CG1-SD 4.19Å |
| 57 | L | 88.9 | Confident | 85.8 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.4 | -43 | -171.8 | -165.4 | 63.7 | 0 | 0 | 0 | 112.7 | A53 W54 V64 M73 F76 I155 L156 F159 | A53-L57 WeakPolarHBondContact O-CB 3.33Å; A53-L57 PolarHBondContact O-N 3.27Å; W54-L57 HydrophobicContact CE3-CD2 4.17Å; W54-L57 HydrophobicContact CZ3-CD2 3.82Å; W54-L57 PolarHBondContact O-N 3.31Å; L57-V64 HydrophobicContact CD1-CG1 3.98Å; L57-V64 HydrophobicContact CD1-CG2 4.22Å; L57-M73 HydrophobicContact CD1-CE 4.3Å; L57-F76 HydrophobicContact CD2-CE2 4.15Å; L57-I155 HydrophobicContact CD1-CD1 4.27Å; L57-I155 HydrophobicContact CD1-CG1 3.96Å; L57-I155 HydrophobicContact CD2-CG1 4.47Å; L57-I155 HydrophobicContact CD2-CG2 3.81Å; L57-I155 HydrophobicContact CG-CB 4.49Å; L57-I155 HydrophobicContact CG-CD1 4.12Å; L57-I155 HydrophobicContact CG-CG1 3.91Å; L57-I155 HydrophobicContact CG-CG2 3.84Å; L57-I155 WeakPolarHBondContact O-CD1 3.46Å; L57-L156 HydrophobicContact CD2-CB 3.98Å; L57-L156 HydrophobicContact CD2-CD1 3.98Å; L57-F159 HydrophobicContact CD1-CB 4.09Å; L57-F159 HydrophobicContact CD1-CG 4.26Å |
| 58 | L | 89.4 | Confident | 84.6 | Confident | 63 Ų | 63 | 70.2 Ų | 70.2 | 33% | 0.33 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -81 | -14.2 | -177.2 | -68.7 | 169.7 | 0 | 0 | 0 | 114.1 | P44 W54 K60 F61 K151 I155 | P44-L58 HydrophobicContact CG-CD1 4.22Å; W54-L58 HydrophobicContact CE3-CD1 3.94Å; W54-L58 HydrophobicContact CE3-CG 4.01Å; W54-L58 WeakPolarHBondContact O-CB 3.43Å; W54-L58 PolarHBondContact O-N 3.1Å; L58-K60 VanDerWaalsContact C-N 3.32Å; L58-K60 PolarHBondContact O-N 2.98Å; L58-F61 PolarHBondContact O-N 2.95Å; L58-K151 HydrophobicContact CD2-CB 4.32Å; L58-I155 HydrophobicContact CD2-CG2 4.09Å |
| 59 | K | 87.7 | Confident | 83.7 | Confident | 175 Ų | 175 | 65.7 Ų | 65.7 | 76% | 0.761 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -35.9 | -173.2 | -176.5 | 176.1 | -179.3 | -179 | 0 | 114 | K55 V56 | K55-K59 WeakPolarHBondContact O-CB 3.43Å; V56-K59 PolarHBondContact O-N 2.88Å |
| 60 | K | 85.1 | Confident | 83 | Confident | 105 Ų | 105 | 66.7 Ų | 66.7 | 46% | 0.457 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 26.4 | -178 | -65 | -172.7 | 178.7 | 175 | 0 | 112.9 | L58 S63 D65 | L58-K60 VanDerWaalsContact C-N 3.32Å; L58-K60 PolarHBondContact O-N 2.98Å; K60-S63 CarbonylContact C-O 3.57Å; K60-S63 WeakPolarHBondContact CB-OG 3.36Å; K60-S63 WeakPolarHBondContact O-CA 3.31Å; K60-S63 PolarHBondContact O-N 3Å; K60-S63 PolarHBondContact O-OG 3.42Å; K60-D65 HydrophobicContact CD-CB 4.2Å; K60-D65 IonicContact NZ-OD2 2.74Å; K60-D65 PolarHBondContact NZ-OD2 3.45Å |
| 61 | F | 89.8 | Confident | 82.5 | Confident | 41 Ų | 41 | 70.1 Ų | 70.1 | 18% | 0.18 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 131.3 | 177.4 | -179.1 | -82.8 | 0 | 0 | 0 | 110.9 | L58 K151 I155 A176 T180 | L58-F61 PolarHBondContact O-N 2.95Å; F61-K151 HydrophobicContact CD1-CD 4.41Å; F61-K151 HydrophobicContact CD1-CG 4.48Å; F61-K151 HydrophobicContact CD2-CB 4.31Å; F61-K151 HydrophobicContact CE1-CG 4.25Å; F61-K151 HydrophobicContact CE2-CB 4.2Å; F61-K151 HydrophobicContact CE2-CG 4.31Å; F61-K151 HydrophobicContact CZ-CG 4.19Å; F61-I155 HydrophobicContact CB-CD1 4.26Å; F61-I155 HydrophobicContact CD2-CB 3.93Å; F61-I155 HydrophobicContact CD2-CD1 3.68Å; F61-I155 HydrophobicContact CD2-CG1 4.32Å; F61-I155 HydrophobicContact CD2-CG2 4.41Å; F61-I155 HydrophobicContact CE2-CB 4.06Å; F61-I155 HydrophobicContact CG-CD1 4.42Å; F61-A176 HydrophobicContact CE1-CB 4.33Å; F61-A176 HydrophobicContact CE2-CB 4.44Å; F61-A176 HydrophobicContact CZ-CB 3.68Å; F61-T180 HydrophobicContact CE1-CG2 3.85Å; F61-T180 WeakPolarHBondContact CE1-OG1 3.42Å; F61-T180 HydrophobicContact CZ-CG2 3.55Å |
| 62 | P | 89.8 | Confident | 82.2 | Confident | 67 Ų | 67 | 69 Ų | 69 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -90.4 | 0.2 | 9.1 | 36.4 | -37.2 | 0 | 0 | 0 | 115.2 | Y172 A176 | P62-Y172 WeakPolarHBondContact CA-OH 3.4Å; P62-Y172 HydrophobicContact CB-CE1 4.36Å; P62-Y172 WeakPolarHBondContact O-CE1 3.02Å; P62-Y172 PolarHBondContact O-OH 2.95Å; P62-A176 HydrophobicContact CB-CB 3.79Å |
| 63 | S | 86 | Confident | 82.1 | Confident | 66 Ų | 66 | 67.3 Ų | 67.3 | 46% | 0.462 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -79.8 | 143.5 | 178.4 | 67.7 | 0 | 0 | 0 | 0 | 112.6 | K60 | K60-S63 CarbonylContact C-O 3.57Å; K60-S63 WeakPolarHBondContact CB-OG 3.36Å; K60-S63 WeakPolarHBondContact O-CA 3.31Å; K60-S63 PolarHBondContact O-N 3Å; K60-S63 PolarHBondContact O-OG 3.42Å |
| 64 | V | 76.7 | Confident | 82 | Confident | 49 Ų | 49 | 71.8 Ų | 71.8 | 30% | 0.297 | 37% | 0.372 | S | S | . | . | trans | -109.3 | 116.7 | -179.7 | 179.2 | 0 | 0 | 0 | 0 | 109 | L57 V66 I155 F159 | L57-V64 HydrophobicContact CD1-CG1 3.98Å; L57-V64 HydrophobicContact CD1-CG2 4.22Å; V64-V66 HydrophobicContact CG1-CG2 3.7Å; V64-I155 HydrophobicContact CG2-CD1 3.96Å; V64-I155 HydrophobicContact CG2-CG1 3.69Å; V64-F159 HydrophobicContact CG1-CD2 3.9Å | ||
| 65 | D | 73.8 | Confident | 81.8 | Confident | 45 Ų | 45 | 72.7 Ų | 72.7 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | trans | -127.3 | 74.9 | -178.6 | -169.7 | 13.6 | 0 | 0 | 0 | 111.8 | K60 R67 S68 | K60-D65 HydrophobicContact CD-CB 4.2Å; K60-D65 IonicContact NZ-OD2 2.74Å; K60-D65 PolarHBondContact NZ-OD2 3.45Å; D65-R67 VanDerWaalsContact C-N 3.32Å; D65-R67 PolarHBondContact O-N 2.96Å; D65-R67 IonicContact OD1-NE 3.28Å; D65-R67 IonicContact OD1-NH2 2.83Å; D65-S68 PolarHBondContact O-OG 3.33Å | ||
| 66 | V | 69 | Low | 81.9 | Confident | 29 Ų | 29 | 65 Ų | 65 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -76 | -18.8 | -173.3 | 172.8 | 0 | 0 | 0 | 0 | 113.2 | V64 S68 N69 M73 F159 | V64-V66 HydrophobicContact CG1-CG2 3.7Å; V66-S68 PolarHBondContact O-N 2.78Å; V66-N69 PolarHBondContact O-N 3.17Å; V66-M73 HydrophobicContact CG1-CB 4.47Å; V66-M73 HydrophobicContact CG1-CG 3.92Å; V66-M73 HydrophobicContact CG2-CE 4.08Å; V66-F159 HydrophobicContact CG2-CD2 4.02Å; V66-F159 HydrophobicContact CG2-CE2 3.62Å; V66-F159 HydrophobicContact CG2-CZ 4.38Å |
| 67 | R | 68.6 | Low | 81.8 | Confident | 223 Ų | 223 | 66.6 Ų | 66.6 | 84% | 0.842 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -57.5 | -22.6 | -178.2 | -66.2 | 179.2 | -64.6 | -173.3 | -1.2 | 113.3 | D65 | D65-R67 VanDerWaalsContact C-N 3.32Å; D65-R67 PolarHBondContact O-N 2.96Å; D65-R67 IonicContact OD1-NE 3.28Å; D65-R67 IonicContact OD1-NH2 2.83Å |
| 68 | S | 65 | Low | 81.7 | Confident | 75 Ų | 75 | 72 Ų | 72 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -77.9 | -20.8 | -177.4 | 61.9 | 0 | 0 | 0 | 0 | 115.1 | D65 V66 | D65-S68 PolarHBondContact O-OG 3.33Å; V66-S68 PolarHBondContact O-N 2.78Å |
| 69 | N | 71.9 | Confident | 81.6 | Confident | 77 Ų | 77 | 72.9 Ų | 72.9 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | trans | -160.4 | 70.7 | -177 | -97.7 | -29.6 | 0 | 0 | 0 | 112.9 | V56 V66 S71 S72 | V56-N69 HydrophobicContact CG2-CB 3.9Å; V66-N69 PolarHBondContact O-N 3.17Å; N69-S71 VanDerWaalsContact C-N 3.3Å; N69-S71 PolarHBondContact O-N 2.89Å; N69-S72 PolarHBondContact O-N 3.26Å | ||
| 70 | P | 74.2 | Confident | 81.8 | Confident | 78 Ų | 78 | 66.6 Ų | 66.6 | 51% | 0.506 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -30.4 | -177.7 | 25.7 | -33.8 | 0 | 0 | 0 | 113.5 | S72 M73 | P70-S72 VanDerWaalsContact C-N 3.34Å; P70-S72 PolarHBondContact O-N 2.91Å; P70-M73 PolarHBondContact O-N 3.27Å |
| 71 | S | 80.9 | Confident | 81.9 | Confident | 86 Ų | 86 | 70.1 Ų | 70.1 | 60% | 0.601 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -65.1 | -36.4 | 178 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | N69 M73 Q74 | N69-S71 VanDerWaalsContact C-N 3.3Å; N69-S71 PolarHBondContact O-N 2.89Å; S71-M73 PolarHBondContact O-N 3.21Å; S71-Q74 WeakPolarHBondContact O-CB 3.4Å; S71-Q74 WeakPolarHBondContact O-CG 3.44Å; S71-Q74 PolarHBondContact O-N 3.21Å |
| 72 | S | 83.8 | Confident | 82 | Confident | 37 Ų | 37 | 74.7 Ų | 74.7 | 26% | 0.259 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -69.6 | -21 | 177.9 | -53.4 | 0 | 0 | 0 | 0 | 113.2 | A53 N69 P70 P75 | A53-S72 WeakPolarHBondContact CA-O 3.17Å; A53-S72 VanDerWaalsContact CB-O 3.22Å; A53-S72 WeakPolarHBondContact CB-O 3.39Å; A53-S72 PolarHBondContact N-O 3.21Å; N69-S72 PolarHBondContact O-N 3.26Å; P70-S72 VanDerWaalsContact C-N 3.34Å; P70-S72 PolarHBondContact O-N 2.91Å; S72-P75 WeakPolarHBondContact O-CD 3.48Å |
| 73 | M | 85.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -90.5 | -7.5 | -178.5 | -65.4 | -63.6 | -71.5 | 0 | 0 | 113.6 | A53 V56 L57 V66 P70 S71 P75 F76 F77 F159 | A53-M73 HydrophobicContact CB-SD 3.99Å; V56-M73 HydrophobicContact CB-SD 4.18Å; V56-M73 HydrophobicContact CG1-SD 4.19Å; L57-M73 HydrophobicContact CD1-CE 4.3Å; V66-M73 HydrophobicContact CG1-CB 4.47Å; V66-M73 HydrophobicContact CG1-CG 3.92Å; V66-M73 HydrophobicContact CG2-CE 4.08Å; P70-M73 PolarHBondContact O-N 3.27Å; S71-M73 PolarHBondContact O-N 3.21Å; M73-P75 VanDerWaalsContact C-N 3.3Å; M73-F76 HydrophobicContact CE-CD2 3.7Å; M73-F76 HydrophobicContact CE-CE2 4.27Å; M73-F76 PolarHBondContact O-N 3.24Å; M73-F76 VanDerWaalsContact O-N 3.08Å; M73-F76 HydrophobicContact SD-CD2 4.19Å; M73-F77 HydrophobicContact CB-CD2 4.02Å; M73-F77 HydrophobicContact CB-CE2 3.52Å; M73-F77 HydrophobicContact CB-CZ 4.33Å; M73-F77 WeakPolarHBondContact O-CD2 3.36Å; M73-F77 PolarHBondContact O-N 3.22Å; M73-F159 HydrophobicContact CE-CD1 3.97Å; M73-F159 HydrophobicContact CE-CD2 4.45Å; M73-F159 HydrophobicContact CE-CE1 3.48Å; M73-F159 VanDerWaalsContact CE-CE1 3.48Å; M73-F159 HydrophobicContact CE-CE2 4.04Å; M73-F159 HydrophobicContact CE-CG 4.41Å; M73-F159 HydrophobicContact CE-CZ 3.51Å |
| 74 | Q | 87.2 | Confident | 82.5 | Confident | 94 Ų | 94 | 71 Ų | 71 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -47.7 | -41.2 | 178.4 | -71.3 | -65.7 | -49.4 | 0 | 0 | 114.6 | S71 F76 F77 N78 | S71-Q74 WeakPolarHBondContact O-CB 3.4Å; S71-Q74 WeakPolarHBondContact O-CG 3.44Å; S71-Q74 PolarHBondContact O-N 3.21Å; Q74-F76 VanDerWaalsContact C-N 3.34Å; Q74-F76 PolarHBondContact O-N 2.89Å; Q74-F77 PolarHBondContact O-N 2.7Å; Q74-F77 VanDerWaalsContact O-N 3.17Å; Q74-N78 VanDerWaalsContact O-CG 3.26Å; Q74-N78 PolarHBondContact O-N 2.91Å; Q74-N78 PolarHBondContact O-ND2 2.85Å |
| 75 | P | 88.3 | Confident | 83.3 | Confident | 28 Ų | 28 | 71.3 Ų | 71.3 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.1 | -40.6 | 178.1 | -26.4 | 36.1 | 0 | 0 | 0 | 114.1 | A49 F50 S72 M73 H79 | A49-P75 VanDerWaalsContact O-CG 3.32Å; A49-P75 WeakPolarHBondContact O-CG 3.39Å; F50-P75 HydrophobicContact CD1-CB 3.61Å; F50-P75 HydrophobicContact CE1-CB 3.65Å; F50-P75 HydrophobicContact CG-CB 4.33Å; F50-P75 HydrophobicContact CZ-CB 4.38Å; S72-P75 WeakPolarHBondContact O-CD 3.48Å; M73-P75 VanDerWaalsContact C-N 3.3Å; P75-H79 PolarHBondContact O-ND1 3.37Å |
| 76 | F | 89.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.1 | -37.3 | 176.6 | -68.9 | -40.6 | 0 | 0 | 0 | 112.1 | V42 F50 A53 W54 L57 M73 Q74 H79 Q80 L83 L156 F159 | V42-F76 HydrophobicContact CG2-CD1 4.32Å; V42-F76 HydrophobicContact CG2-CE1 3.85Å; F50-F76 HydrophobicContact CB-CE1 4.32Å; F50-F76 AromaticContact CD1-CD1 3.47Å; F50-F76 HydrophobicContact CD1-CD1 3.47Å; F50-F76 VanDerWaalsContact CD1-CD1 3.47Å; F50-F76 AromaticContact CD1-CE1 3.38Å; F50-F76 HydrophobicContact CD1-CE1 3.38Å; F50-F76 HydrophobicContact CD1-CG 4.38Å; F50-F76 HydrophobicContact CD1-CZ 4.24Å; F50-F76 AromaticContact CE1-CD1 3.75Å; F50-F76 HydrophobicContact CE1-CD1 3.75Å; F50-F76 HydrophobicContact CE1-CE1 4.05Å; F50-F76 HydrophobicContact CG-CE1 4.19Å; A53-F76 HydrophobicContact CB-CD2 3.53Å; A53-F76 HydrophobicContact CB-CE2 3.26Å; A53-F76 HydrophobicContact CB-CG 4.35Å; A53-F76 HydrophobicContact CB-CZ 3.89Å; W54-F76 AromaticContact CD2-CZ 3.83Å; W54-F76 HydrophobicContact CD2-CZ 3.83Å; W54-F76 AromaticContact CE2-CZ 3.6Å; W54-F76 HydrophobicContact CE3-CZ 4.32Å; W54-F76 HydrophobicContact CG-CZ 4.21Å; W54-F76 HydrophobicContact CH2-CZ 4.36Å; W54-F76 HydrophobicContact CZ2-CE1 4.21Å; W54-F76 AromaticContact CZ2-CZ 3.89Å; W54-F76 HydrophobicContact CZ2-CZ 3.89Å; W54-F76 AromaticContact NE1-CZ 3.83Å; L57-F76 HydrophobicContact CD2-CE2 4.15Å; M73-F76 HydrophobicContact CE-CD2 3.7Å; M73-F76 HydrophobicContact CE-CE2 4.27Å; M73-F76 PolarHBondContact O-N 3.24Å; M73-F76 VanDerWaalsContact O-N 3.08Å; M73-F76 HydrophobicContact SD-CD2 4.19Å; Q74-F76 VanDerWaalsContact C-N 3.34Å; Q74-F76 PolarHBondContact O-N 2.89Å; F76-H79 CarbonylContact O-C 3.38Å; F76-H79 PolarHBondContact O-N 2.92Å; F76-Q80 WeakPolarHBondContact O-CA 3.29Å; F76-Q80 PolarHBondContact O-N 3.05Å; F76-Q80 VanDerWaalsContact O-N 3.07Å; F76-L83 HydrophobicContact CD1-CD1 3.76Å; F76-L156 HydrophobicContact CD1-CD1 3.85Å; F76-L156 HydrophobicContact CD1-CD2 4.16Å; F76-L156 HydrophobicContact CD2-CD1 3.89Å; F76-L156 HydrophobicContact CE1-CD1 3.92Å; F76-L156 HydrophobicContact CE1-CD2 3.69Å; F76-L156 HydrophobicContact CE2-CD1 3.95Å; F76-L156 HydrophobicContact CG-CD1 3.86Å; F76-L156 HydrophobicContact CZ-CD1 3.98Å; F76-L156 HydrophobicContact CZ-CD2 4.08Å; F76-F159 HydrophobicContact CB-CE1 4.3Å |
| 77 | F | 86 | Confident | 85.5 | Confident | 56 Ų | 56 | 70 Ų | 70 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 176.6 | -68.7 | -59.1 | 0 | 0 | 0 | 111.9 | M73 Q74 H79 Q80 F159 Q163 | M73-F77 HydrophobicContact CB-CD2 4.02Å; M73-F77 HydrophobicContact CB-CE2 3.52Å; M73-F77 HydrophobicContact CB-CZ 4.33Å; M73-F77 WeakPolarHBondContact O-CD2 3.36Å; M73-F77 PolarHBondContact O-N 3.22Å; Q74-F77 PolarHBondContact O-N 2.7Å; Q74-F77 VanDerWaalsContact O-N 3.17Å; F77-H79 PolarHBondContact O-N 3.11Å; F77-Q80 WeakPolarHBondContact O-CB 3.38Å; F77-Q80 PolarHBondContact O-N 3.39Å; F77-F159 HydrophobicContact CD1-CZ 4.48Å; F77-F159 HydrophobicContact CE1-CE1 4.4Å; F77-F159 AromaticContact CE1-CZ 3.66Å; F77-F159 HydrophobicContact CE1-CZ 3.66Å; F77-F159 HydrophobicContact CE2-CZ 4.5Å; F77-F159 HydrophobicContact CZ-CE2 4.43Å; F77-F159 AromaticContact CZ-CZ 3.67Å; F77-F159 HydrophobicContact CZ-CZ 3.67Å; F77-Q163 HydrophobicContact CE1-CG 4.2Å |
| 78 | N | 87.5 | Confident | 86.7 | Confident | 117 Ų | 117 | 60.8 Ų | 60.8 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.7 | -27.1 | -179.5 | -68.9 | -14.7 | 0 | 0 | 0 | 113.1 | Q74 | Q74-N78 VanDerWaalsContact O-CG 3.26Å; Q74-N78 PolarHBondContact O-N 2.91Å; Q74-N78 PolarHBondContact O-ND2 2.85Å |
| 79 | H | 87.9 | Confident | 88 | Confident | 83 Ų | 83 | 61.1 Ų | 61.1 | 38% | 0.384 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 16.4 | -177.8 | -57.3 | 89 | 0 | 0 | 0 | 113.4 | P75 F76 F77 K81 E82 L83 | P75-H79 PolarHBondContact O-ND1 3.37Å; F76-H79 CarbonylContact O-C 3.38Å; F76-H79 PolarHBondContact O-N 2.92Å; F77-H79 PolarHBondContact O-N 3.11Å; H79-K81 PolarHBondContact O-N 2.95Å; H79-E82 PolarHBondContact O-N 3.44Å; H79-L83 HydrophobicContact CB-CD1 3.9Å; H79-L83 HydrophobicContact CB-CG 3.89Å; H79-L83 VanDerWaalsContact O-CG 3.31Å; H79-L83 WeakPolarHBondContact O-CG 3.49Å; H79-L83 PolarHBondContact O-N 3.24Å |
| 80 | Q | 90.5 | Very high | 89.1 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -51.6 | -47.3 | -167.4 | 176.7 | 176.1 | 21.2 | 0 | 0 | 114.4 | F76 F77 F84 L160 Q163 L164 | F76-Q80 WeakPolarHBondContact O-CA 3.29Å; F76-Q80 PolarHBondContact O-N 3.05Å; F76-Q80 VanDerWaalsContact O-N 3.07Å; F77-Q80 WeakPolarHBondContact O-CB 3.38Å; F77-Q80 PolarHBondContact O-N 3.39Å; Q80-F84 VanDerWaalsContact O-CB 3.26Å; Q80-F84 WeakPolarHBondContact O-CB 3.16Å; Q80-F84 PolarHBondContact O-N 2.74Å; Q80-L160 HydrophobicContact CB-CD2 4.27Å; Q80-L160 HydrophobicContact CG-CD2 3.88Å; Q80-Q163 VanDerWaalsContact NE2-CB 3.31Å; Q80-L164 HydrophobicContact CG-CD2 4.33Å; Q80-L164 HydrophobicContact CG-CG 4.48Å |
| 81 | K | 88.1 | Confident | 90.2 | Very high | 180 Ų | 180 | 55.1 Ų | 55.1 | 78% | 0.783 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66 | -43.2 | -177.1 | -71.7 | -177.2 | 178 | -180 | 0 | 112.5 | H79 A85 | H79-K81 PolarHBondContact O-N 2.95Å; K81-A85 PolarHBondContact O-N 3.1Å; K81-A85 VanDerWaalsContact O-N 3.14Å |
| 82 | E | 91.2 | Very high | 91 | Very high | 136 Ų | 136 | 56.1 Ų | 56.1 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -67.4 | -45.9 | 179.9 | -176.1 | -177.9 | 177.1 | 0 | 0 | 110.9 | H79 F84 A85 M86 | H79-E82 PolarHBondContact O-N 3.44Å; E82-F84 VanDerWaalsContact C-N 3.35Å; E82-F84 PolarHBondContact O-N 3.12Å; E82-A85 PolarHBondContact O-N 3.47Å; E82-M86 WeakPolarHBondContact O-CB 3.49Å; E82-M86 PolarHBondContact O-N 2.7Å |
| 83 | L | 93 | Very high | 91.6 | Very high | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 177.7 | -64.9 | 178.7 | 0 | 0 | 0 | 112.3 | V42 F50 F76 H79 M86 L87 L160 | V42-L83 HydrophobicContact CB-CD2 3.89Å; V42-L83 HydrophobicContact CG1-CD2 3.66Å; V42-L83 HydrophobicContact CG2-CD1 4.2Å; V42-L83 HydrophobicContact CG2-CD2 3.61Å; F50-L83 HydrophobicContact CE1-CD1 4.48Å; F76-L83 HydrophobicContact CD1-CD1 3.76Å; H79-L83 HydrophobicContact CB-CD1 3.9Å; H79-L83 HydrophobicContact CB-CG 3.89Å; H79-L83 VanDerWaalsContact O-CG 3.31Å; H79-L83 WeakPolarHBondContact O-CG 3.49Å; H79-L83 PolarHBondContact O-N 3.24Å; L83-M86 HydrophobicContact CD2-CE 3.92Å; L83-M86 PolarHBondContact O-N 3.44Å; L83-L87 VanDerWaalsContact O-CB 3.25Å; L83-L87 WeakPolarHBondContact O-CB 3.4Å; L83-L87 VanDerWaalsContact O-CG 3.26Å; L83-L87 WeakPolarHBondContact O-CG 3.29Å; L83-L87 PolarHBondContact O-N 3.2Å; L83-L160 HydrophobicContact CB-CD1 3.68Å |
| 84 | F | 93.6 | Very high | 92.2 | Very high | 45 Ų | 45 | 55.4 Ų | 55.4 | 20% | 0.197 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 177.7 | -172.5 | -97.5 | 0 | 0 | 0 | 111.5 | Q80 E82 S88 F157 L160 Y161 L164 | Q80-F84 VanDerWaalsContact O-CB 3.26Å; Q80-F84 WeakPolarHBondContact O-CB 3.16Å; Q80-F84 PolarHBondContact O-N 2.74Å; E82-F84 VanDerWaalsContact C-N 3.35Å; E82-F84 PolarHBondContact O-N 3.12Å; F84-S88 WeakPolarHBondContact O-CB 3.25Å; F84-S88 PolarHBondContact O-N 3.15Å; F84-F157 HydrophobicContact CD2-CD2 4.29Å; F84-F157 AromaticContact CD2-CE2 3.92Å; F84-F157 HydrophobicContact CD2-CE2 3.92Å; F84-F157 HydrophobicContact CD2-CZ 4.36Å; F84-F157 HydrophobicContact CE2-CD2 4.31Å; F84-F157 HydrophobicContact CE2-CE1 4.23Å; F84-F157 AromaticContact CE2-CE2 3.69Å; F84-F157 HydrophobicContact CE2-CE2 3.69Å; F84-F157 AromaticContact CE2-CZ 3.65Å; F84-F157 HydrophobicContact CE2-CZ 3.65Å; F84-F157 HydrophobicContact CG-CE2 4.47Å; F84-F157 HydrophobicContact CZ-CE2 4.04Å; F84-F157 AromaticContact CZ-CZ 3.78Å; F84-F157 HydrophobicContact CZ-CZ 3.78Å; F84-L160 HydrophobicContact CB-CD1 4.45Å; F84-L160 HydrophobicContact CD2-CB 3.92Å; F84-Y161 AromaticContact CE2-CD2 3.97Å; F84-Y161 HydrophobicContact CE2-CD2 3.97Å; F84-Y161 HydrophobicContact CE2-CG 4.46Å; F84-Y161 AromaticContact CZ-CD2 3.98Å; F84-Y161 HydrophobicContact CZ-CD2 3.98Å; F84-L164 HydrophobicContact CB-CD1 4.21Å; F84-L164 HydrophobicContact CD1-CD1 3.99Å; F84-L164 HydrophobicContact CD2-CD1 3.71Å; F84-L164 HydrophobicContact CE1-CD1 4.27Å; F84-L164 HydrophobicContact CE2-CD1 4.01Å; F84-L164 HydrophobicContact CG-CD1 3.69Å; F84-L164 HydrophobicContact CZ-CD1 4.27Å |
| 85 | A | 93.6 | Very high | 92.7 | Very high | 56 Ų | 56 | 51.6 Ų | 51.6 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K81 E82 S88 | K81-A85 PolarHBondContact O-N 3.1Å; K81-A85 VanDerWaalsContact O-N 3.14Å; E82-A85 PolarHBondContact O-N 3.47Å; A85-S88 PolarHBondContact O-N 3.14Å; A85-S88 PolarHBondContact O-OG 3.08Å |
| 86 | M | 93.7 | Very high | 93.2 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -49.7 | 178.5 | 175.9 | -88.7 | -70.4 | 0 | 0 | 112 | P40 V42 E82 L83 S88 T89 Y90 | P40-M86 HydrophobicContact CB-CE 3.82Å; P40-M86 HydrophobicContact CB-SD 3.9Å; P40-M86 HydrophobicContact CG-CE 4.29Å; P40-M86 HydrophobicContact CG-CG 4.48Å; P40-M86 HydrophobicContact CG-SD 3.68Å; V42-M86 HydrophobicContact CG1-CE 3.36Å; E82-M86 WeakPolarHBondContact O-CB 3.49Å; E82-M86 PolarHBondContact O-N 2.7Å; L83-M86 HydrophobicContact CD2-CE 3.92Å; L83-M86 PolarHBondContact O-N 3.44Å; M86-S88 VanDerWaalsContact C-N 3.27Å; M86-S88 PolarHBondContact O-N 3.1Å; M86-T89 PolarHBondContact O-N 3.41Å; M86-T89 PolarHBondContact O-OG1 2.9Å; M86-Y90 HydrophobicContact CG-CE2 4.46Å; M86-Y90 HydrophobicContact SD-CD2 4.15Å; M86-Y90 HydrophobicContact SD-CE2 3.83Å |
| 87 | L | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.2 | -25.5 | -178.4 | -70.6 | 170.5 | 0 | 0 | 0 | 113.2 | L83 T89 Y90 Y91 I153 L156 F157 L160 | L83-L87 VanDerWaalsContact O-CB 3.25Å; L83-L87 WeakPolarHBondContact O-CB 3.4Å; L83-L87 VanDerWaalsContact O-CG 3.26Å; L83-L87 WeakPolarHBondContact O-CG 3.29Å; L83-L87 PolarHBondContact O-N 3.2Å; L87-T89 PolarHBondContact O-N 3.18Å; L87-Y90 PolarHBondContact O-N 3.15Å; L87-Y90 VanDerWaalsContact O-N 3.08Å; L87-Y91 WeakPolarHBondContact O-CB 3.47Å; L87-Y91 PolarHBondContact O-N 3.46Å; L87-I153 HydrophobicContact CD2-CG1 4.29Å; L87-I153 HydrophobicContact CD2-CG2 4.34Å; L87-L156 HydrophobicContact CD1-CB 4.02Å; L87-L156 HydrophobicContact CD1-CD2 3.63Å; L87-L156 HydrophobicContact CD1-CG 3.56Å; L87-F157 HydrophobicContact CB-CB 4.43Å; L87-F157 HydrophobicContact CB-CD2 3.78Å; L87-L160 HydrophobicContact CD1-CD1 4.06Å |
| 88 | S | 95.5 | Very high | 94.2 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.7 | -37 | 175.9 | 74.8 | 0 | 0 | 0 | 0 | 112.2 | F84 A85 M86 Y90 Y91 F92 | F84-S88 WeakPolarHBondContact O-CB 3.25Å; F84-S88 PolarHBondContact O-N 3.15Å; A85-S88 PolarHBondContact O-N 3.14Å; A85-S88 PolarHBondContact O-OG 3.08Å; M86-S88 VanDerWaalsContact C-N 3.27Å; M86-S88 PolarHBondContact O-N 3.1Å; S88-Y90 PolarHBondContact O-N 3.22Å; S88-Y91 PolarHBondContact O-N 2.94Å; S88-F92 WeakPolarHBondContact O-CD2 3.17Å; S88-F92 PolarHBondContact O-N 3.11Å; S88-F92 VanDerWaalsContact O-N 3.14Å |
| 89 | T | 91.6 | Very high | 94.6 | Very high | 83 Ų | 83 | 46.6 Ų | 46.6 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.4 | -28 | 178.9 | 67.1 | 0 | 0 | 0 | 0 | 113.2 | M86 L87 N93 | M86-T89 PolarHBondContact O-N 3.41Å; M86-T89 PolarHBondContact O-OG1 2.9Å; L87-T89 PolarHBondContact O-N 3.18Å; T89-N93 PolarHBondContact O-ND2 3.07Å |
| 90 | Y | 95.2 | Very high | 95.1 | Very high | 29 Ų | 29 | 42.9 Ų | 42.9 | 11% | 0.114 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -93 | -43 | 176.7 | -59.7 | -66.5 | 0 | 0 | 0 | 111.9 | M29 L33 P40 M86 L87 S88 F92 N93 F94 | M29-Y90 HydrophobicContact CG-CD1 3.68Å; M29-Y90 HydrophobicContact CG-CE1 4.23Å; M29-Y90 HydrophobicContact SD-CD1 3.76Å; M29-Y90 HydrophobicContact SD-CG 4.37Å; L33-Y90 HydrophobicContact CD1-CD1 4.49Å; L33-Y90 HydrophobicContact CD2-CD1 4.46Å; L33-Y90 HydrophobicContact CD2-CE1 4.06Å; L33-Y90 HydrophobicContact CG-CE1 4.19Å; P40-Y90 HydrophobicContact CG-CE2 3.88Å; M86-Y90 HydrophobicContact CG-CE2 4.46Å; M86-Y90 HydrophobicContact SD-CD2 4.15Å; M86-Y90 HydrophobicContact SD-CE2 3.83Å; L87-Y90 PolarHBondContact O-N 3.15Å; L87-Y90 VanDerWaalsContact O-N 3.08Å; S88-Y90 PolarHBondContact O-N 3.22Å; Y90-F92 PolarHBondContact O-N 2.75Å; Y90-N93 WeakPolarHBondContact O-CB 3.29Å; Y90-N93 PolarHBondContact O-N 3.12Å; Y90-F94 WeakPolarHBondContact O-CD2 3.42Å |
| 91 | Y | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | -175 | -170 | -92.1 | 0 | 0 | 0 | 112.3 | L87 S88 N93 F94 V95 L154 F157 E169 Y172 M175 | L87-Y91 WeakPolarHBondContact O-CB 3.47Å; L87-Y91 PolarHBondContact O-N 3.46Å; S88-Y91 PolarHBondContact O-N 2.94Å; Y91-N93 VanDerWaalsContact C-N 3.25Å; Y91-N93 PolarHBondContact O-N 3.25Å; Y91-F94 WeakPolarHBondContact O-CB 3.43Å; Y91-F94 PolarHBondContact O-N 2.92Å; Y91-V95 HydrophobicContact CD1-CG2 3.93Å; Y91-V95 HydrophobicContact CE1-CG2 3.83Å; Y91-V95 PolarHBondContact O-N 3.48Å; Y91-L154 HydrophobicContact CD2-CD2 3.93Å; Y91-L154 HydrophobicContact CE2-CD2 3.7Å; Y91-F157 AromaticContact CD1-CD1 3.45Å; Y91-F157 HydrophobicContact CD1-CD1 3.45Å; Y91-F157 VanDerWaalsContact CD1-CD1 3.45Å; Y91-F157 AromaticContact CD1-CE1 3.45Å; Y91-F157 HydrophobicContact CD1-CE1 3.45Å; Y91-F157 VanDerWaalsContact CD1-CE1 3.45Å; Y91-F157 HydrophobicContact CD1-CG 4.14Å; Y91-F157 HydrophobicContact CD1-CZ 4.16Å; Y91-F157 HydrophobicContact CD2-CB 3.5Å; Y91-F157 VanDerWaalsContact CD2-CB 3.5Å; Y91-F157 AromaticContact CD2-CD1 3.45Å; Y91-F157 HydrophobicContact CD2-CD1 3.45Å; Y91-F157 VanDerWaalsContact CD2-CD1 3.45Å; Y91-F157 HydrophobicContact CD2-CE1 4.32Å; Y91-F157 AromaticContact CD2-CG 3.56Å; Y91-F157 HydrophobicContact CD2-CG 3.56Å; Y91-F157 AromaticContact CE1-CD1 3.61Å; Y91-F157 HydrophobicContact CE1-CD1 3.61Å; Y91-F157 AromaticContact CE1-CE1 3.68Å; Y91-F157 HydrophobicContact CE1-CE1 3.68Å; Y91-F157 HydrophobicContact CE2-CB 3.96Å; Y91-F157 AromaticContact CE2-CD1 3.61Å; Y91-F157 HydrophobicContact CE2-CD1 3.61Å; Y91-F157 HydrophobicContact CE2-CG 4.09Å; Y91-F157 HydrophobicContact CG-CB 4.03Å; Y91-F157 AromaticContact CG-CD1 3.35Å; Y91-F157 HydrophobicContact CG-CD1 3.35Å; Y91-F157 HydrophobicContact CG-CD2 4.2Å; Y91-F157 AromaticContact CG-CE1 3.78Å; Y91-F157 HydrophobicContact CG-CE1 3.78Å; Y91-F157 AromaticContact CG-CG 3.58Å; Y91-F157 HydrophobicContact CG-CG 3.58Å; Y91-F157 HydrophobicContact CG-CZ 4.37Å; Y91-F157 AromaticContact CZ-CD1 3.67Å; Y91-E169 HydrophobicContact CE1-CG 3.96Å; Y91-E169 PolarHBondContact OH-OE2 2.92Å; Y91-Y172 WeakPolarHBondContact OH-CA 3.38Å; Y91-Y172 WeakPolarHBondContact OH-CB 3.38Å; Y91-Y172 PolarHBondContact OH-N 3Å; Y91-M175 HydrophobicContact CD1-CE 4.2Å; Y91-M175 HydrophobicContact CD2-CE 4.4Å; Y91-M175 HydrophobicContact CE1-CE 3.41Å; Y91-M175 VanDerWaalsContact CE1-CE 3.41Å; Y91-M175 HydrophobicContact CE2-CE 3.65Å; Y91-M175 WeakPolarHBondContact OH-CE 3.28Å |
| 92 | F | 97.3 | Very high | 95.9 | Very high | 106 Ų | 106 | 36.2 Ų | 36.2 | 47% | 0.465 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.4 | -20.6 | -179 | -73.9 | -64 | 0 | 0 | 0 | 113.6 | S88 Y90 F94 V95 D96 F157 | S88-F92 WeakPolarHBondContact O-CD2 3.17Å; S88-F92 PolarHBondContact O-N 3.11Å; S88-F92 VanDerWaalsContact O-N 3.14Å; Y90-F92 PolarHBondContact O-N 2.75Å; F92-F94 VanDerWaalsContact C-N 3.28Å; F92-F94 PolarHBondContact O-N 3.48Å; F92-V95 HydrophobicContact CD1-CB 4.23Å; F92-V95 HydrophobicContact CD1-CG2 3.97Å; F92-V95 PolarHBondContact O-N 3.13Å; F92-D96 PolarHBondContact O-N 3.42Å; F92-F157 HydrophobicContact CE2-CZ 4.33Å; F92-F157 HydrophobicContact CZ-CZ 4.49Å |
| 93 | N | 96.3 | Very high | 96.2 | Very high | 22 Ų | 22 | 35 Ų | 35 | 12% | 0.118 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -37.3 | 168.9 | -67.1 | -36.1 | 0 | 0 | 0 | 111.4 | M29 T89 Y90 Y91 V97 | M29-N93 HydrophobicContact CE-CB 4.23Å; M29-N93 HydrophobicContact SD-CB 4.1Å; T89-N93 PolarHBondContact O-ND2 3.07Å; Y90-N93 WeakPolarHBondContact O-CB 3.29Å; Y90-N93 PolarHBondContact O-N 3.12Å; Y91-N93 VanDerWaalsContact C-N 3.25Å; Y91-N93 PolarHBondContact O-N 3.25Å; N93-V97 WeakPolarHBondContact O-CG2 3.42Å; N93-V97 PolarHBondContact O-N 2.95Å |
| 94 | F | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -72 | -34.2 | 174.8 | -63.4 | -66.6 | 0 | 0 | 0 | 112.3 | M29 Y90 Y91 F92 D96 V97 L98 I144 I147 T150 I153 L154 M175 F179 | M29-F94 HydrophobicContact CE-CD1 4.28Å; M29-F94 HydrophobicContact CE-CD2 4.38Å; M29-F94 HydrophobicContact CE-CE1 3.62Å; M29-F94 HydrophobicContact CE-CE2 3.74Å; M29-F94 HydrophobicContact CE-CZ 3.31Å; M29-F94 HydrophobicContact SD-CE2 4.14Å; M29-F94 HydrophobicContact SD-CZ 4.24Å; Y90-F94 WeakPolarHBondContact O-CD2 3.42Å; Y91-F94 WeakPolarHBondContact O-CB 3.43Å; Y91-F94 PolarHBondContact O-N 2.92Å; F92-F94 VanDerWaalsContact C-N 3.28Å; F92-F94 PolarHBondContact O-N 3.48Å; F94-D96 VanDerWaalsContact C-N 3.33Å; F94-V97 WeakPolarHBondContact O-CB 3.45Å; F94-V97 PolarHBondContact O-N 3.35Å; F94-L98 PolarHBondContact O-N 3.28Å; F94-L98 VanDerWaalsContact O-N 3.09Å; F94-I144 HydrophobicContact CE1-CG2 4.28Å; F94-I147 HydrophobicContact CE1-CD1 4.05Å; F94-I147 HydrophobicContact CZ-CD1 4.34Å; F94-I147 HydrophobicContact CZ-CG2 4.37Å; F94-T150 HydrophobicContact CE1-CG2 4.01Å; F94-T150 HydrophobicContact CZ-CG2 3.88Å; F94-I153 HydrophobicContact CE2-CG2 4.18Å; F94-L154 HydrophobicContact CB-CD2 4.47Å; F94-L154 HydrophobicContact CD2-CD2 4.15Å; F94-L154 HydrophobicContact CG-CD2 4.43Å; F94-M175 HydrophobicContact CB-SD 3.56Å; F94-M175 VanDerWaalsContact CB-SD 3.56Å; F94-F179 HydrophobicContact CB-CD2 3.97Å; F94-F179 HydrophobicContact CB-CE2 3.85Å; F94-F179 AromaticContact CD1-CD2 3.94Å; F94-F179 HydrophobicContact CD1-CD2 3.94Å; F94-F179 HydrophobicContact CD1-CE2 4.35Å; F94-F179 HydrophobicContact CG-CD2 4.27Å; F94-F179 WeakPolarHBondContact O-CE2 3.33Å |
| 95 | V | 98.3 | Very high | 96.6 | Very high | 14 Ų | 14 | 34.6 Ų | 34.6 | 9% | 0.085 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 173.5 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | Y91 F92 V97 L98 D99 N171 M175 | Y91-V95 HydrophobicContact CD1-CG2 3.93Å; Y91-V95 HydrophobicContact CE1-CG2 3.83Å; Y91-V95 PolarHBondContact O-N 3.48Å; F92-V95 HydrophobicContact CD1-CB 4.23Å; F92-V95 HydrophobicContact CD1-CG2 3.97Å; F92-V95 PolarHBondContact O-N 3.13Å; V95-V97 VanDerWaalsContact C-N 3.3Å; V95-V97 PolarHBondContact O-N 3.43Å; V95-L98 WeakPolarHBondContact O-CA 3.09Å; V95-L98 WeakPolarHBondContact O-CB 3.47Å; V95-L98 PolarHBondContact O-N 2.99Å; V95-D99 PolarHBondContact O-N 3.46Å; V95-N171 HydrophobicContact CG2-CB 4.4Å; V95-M175 HydrophobicContact CG2-CE 3.82Å; V95-M175 HydrophobicContact CG2-SD 4.01Å |
| 96 | D | 97.5 | Very high | 96.7 | Very high | 28 Ų | 28 | 36 Ų | 36 | 15% | 0.15 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -35.1 | 176.3 | -85.8 | -52 | 0 | 0 | 0 | 113.3 | R18 V22 R25 F92 F94 L98 D99 V100 | R18-D96 IonicContact CZ-OD1 2.9Å; R18-D96 IonicContact NH2-OD1 3.93Å; R18-D96 PolarHBondContact NH2-OD1 3.09Å; R18-D96 IonicContact NH2-OD2 3.81Å; V22-D96 HydrophobicContact CG1-CB 4.41Å; V22-D96 HydrophobicContact CG2-CB 4.23Å; R25-D96 IonicContact CZ-OD2 2.82Å; R25-D96 IonicContact NH1-OD2 3.02Å; R25-D96 PolarHBondContact NH1-OD2 2.95Å; R25-D96 IonicContact NH2-OD1 2.72Å; R25-D96 IonicContact NH2-OD2 3.71Å; R25-D96 PolarHBondContact NH2-OD2 2.87Å; F92-D96 PolarHBondContact O-N 3.42Å; F94-D96 VanDerWaalsContact C-N 3.33Å; D96-L98 VanDerWaalsContact C-N 3.33Å; D96-D99 PolarHBondContact O-N 3Å; D96-V100 WeakPolarHBondContact O-CG2 3.33Å; D96-V100 PolarHBondContact O-N 3.44Å |
| 97 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 171 | 172 | 0 | 0 | 0 | 0 | 110.8 | V22 I26 N93 F94 V95 D99 V100 R101 M140 M141 I144 F179 | V22-V97 HydrophobicContact CG1-CG2 3.86Å; I26-V97 HydrophobicContact CD1-CG2 3.12Å; I26-V97 HydrophobicContact CG1-CG2 3.94Å; N93-V97 WeakPolarHBondContact O-CG2 3.42Å; N93-V97 PolarHBondContact O-N 2.95Å; F94-V97 WeakPolarHBondContact O-CB 3.45Å; F94-V97 PolarHBondContact O-N 3.35Å; V95-V97 VanDerWaalsContact C-N 3.3Å; V95-V97 PolarHBondContact O-N 3.43Å; V97-D99 VanDerWaalsContact C-N 3.28Å; V97-D99 PolarHBondContact O-N 2.63Å; V97-V100 PolarHBondContact O-N 3.19Å; V97-R101 WeakPolarHBondContact O-CB 3.49Å; V97-R101 PolarHBondContact O-N 3.28Å; V97-M140 HydrophobicContact CG1-CE 3.97Å; V97-M140 HydrophobicContact CG1-CG 4.41Å; V97-M140 HydrophobicContact CG1-SD 4.24Å; V97-M140 HydrophobicContact CG2-CG 4.3Å; V97-M140 HydrophobicContact CG2-SD 4.24Å; V97-M141 HydrophobicContact CG1-SD 3.81Å; V97-I144 HydrophobicContact CB-CD1 4.3Å; V97-I144 HydrophobicContact CG1-CD1 3.54Å; V97-I144 HydrophobicContact CG2-CD1 4Å; V97-F179 HydrophobicContact CB-CE1 4.48Å; V97-F179 HydrophobicContact CB-CE2 4.39Å; V97-F179 HydrophobicContact CB-CZ 3.83Å; V97-F179 HydrophobicContact CG1-CE1 3.62Å; V97-F179 HydrophobicContact CG1-CE2 4.37Å; V97-F179 HydrophobicContact CG1-CZ 3.42Å; V97-F179 VanDerWaalsContact CG1-CZ 3.42Å |
| 98 | L | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | -178.5 | -169.8 | 65.1 | 0 | 0 | 0 | 110.5 | F94 V95 D96 R101 D102 N171 R174 M175 I178 F179 | F94-L98 PolarHBondContact O-N 3.28Å; F94-L98 VanDerWaalsContact O-N 3.09Å; V95-L98 WeakPolarHBondContact O-CA 3.09Å; V95-L98 WeakPolarHBondContact O-CB 3.47Å; V95-L98 PolarHBondContact O-N 2.99Å; D96-L98 VanDerWaalsContact C-N 3.33Å; L98-R101 WeakPolarHBondContact O-CB 3.49Å; L98-R101 PolarHBondContact O-N 3.49Å; L98-D102 VanDerWaalsContact O-CG 3.31Å; L98-D102 PolarHBondContact O-N 3.05Å; L98-N171 HydrophobicContact CD2-CB 4.16Å; L98-R174 HydrophobicContact CD1-CB 4.39Å; L98-R174 HydrophobicContact CD2-CB 4.01Å; L98-M175 HydrophobicContact CD2-CG 4Å; L98-I178 HydrophobicContact CD1-CD1 4.15Å; L98-F179 HydrophobicContact CB-CZ 4.28Å; L98-F179 HydrophobicContact CD1-CZ 4.48Å |
| 99 | D | 97.6 | Very high | 96.8 | Very high | 69 Ų | 69 | 33.5 Ų | 33.5 | 37% | 0.369 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64 | -47.5 | 175.4 | -71.2 | -19.9 | 0 | 0 | 0 | 111.8 | V95 D96 V97 R101 D102 H103 | V95-D99 PolarHBondContact O-N 3.46Å; D96-D99 PolarHBondContact O-N 3Å; V97-D99 VanDerWaalsContact C-N 3.28Å; V97-D99 PolarHBondContact O-N 2.63Å; D99-R101 VanDerWaalsContact C-N 3.29Å; D99-R101 PolarHBondContact O-N 3.37Å; D99-D102 PolarHBondContact O-N 3.27Å; D99-H103 PolarHBondContact O-N 3.38Å; D99-H103 VanDerWaalsContact O-N 3.1Å; D99-H103 PolarHBondContact O-ND1 2.88Å |
| 100 | V | 97.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.8 | -42.3 | 175.3 | 170 | 0 | 0 | 0 | 0 | 110.9 | L15 R18 Q19 V22 D96 V97 D102 H103 F104 M140 | L15-V100 HydrophobicContact CD1-CG1 4.33Å; R18-V100 HydrophobicContact CG-CG2 4.03Å; Q19-V100 HydrophobicContact CB-CG1 3.97Å; Q19-V100 HydrophobicContact CG-CG1 4.07Å; V22-V100 HydrophobicContact CB-CG2 4.3Å; V22-V100 HydrophobicContact CG1-CG2 4.46Å; V22-V100 HydrophobicContact CG2-CG2 3.83Å; D96-V100 WeakPolarHBondContact O-CG2 3.33Å; D96-V100 PolarHBondContact O-N 3.44Å; V97-V100 PolarHBondContact O-N 3.19Å; V100-D102 VanDerWaalsContact C-N 3.34Å; V100-D102 PolarHBondContact O-N 3.22Å; V100-H103 PolarHBondContact O-N 3.08Å; V100-F104 WeakPolarHBondContact O-CB 3.45Å; V100-F104 PolarHBondContact O-N 3.05Å; V100-M140 HydrophobicContact CB-CE 4.16Å; V100-M140 HydrophobicContact CB-SD 4.3Å; V100-M140 HydrophobicContact CG1-CE 3.74Å; V100-M140 HydrophobicContact CG1-SD 4.02Å |
| 101 | R | 97.4 | Very high | 96.6 | Very high | 30 Ų | 30 | 29.5 Ų | 29.5 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.5 | -47.5 | 176.6 | 166.4 | 178.5 | 175.6 | -78.4 | 1.4 | 111.3 | V97 L98 D99 F104 I105 Y137 R174 E193 | V97-R101 WeakPolarHBondContact O-CB 3.49Å; V97-R101 PolarHBondContact O-N 3.28Å; L98-R101 WeakPolarHBondContact O-CB 3.49Å; L98-R101 PolarHBondContact O-N 3.49Å; D99-R101 VanDerWaalsContact C-N 3.29Å; D99-R101 PolarHBondContact O-N 3.37Å; R101-F104 WeakPolarHBondContact O-CB 3.32Å; R101-F104 PolarHBondContact O-N 3.05Å; R101-I105 HydrophobicContact CG-CD1 3.82Å; R101-I105 HydrophobicContact CG-CG1 4.48Å; R101-I105 WeakPolarHBondContact O-CG1 3.34Å; R101-I105 PolarHBondContact O-N 3.33Å; R101-Y137 HydrophobicContact CB-CE2 3.94Å; R101-Y137 HydrophobicContact CG-CE2 4.04Å; R101-Y137 WeakPolarHBondContact CG-OH 3.44Å; R101-R174 VanDerWaalsContact NH1-NH2 3.14Å; R101-E193 IonicContact CZ-OE1 3.87Å; R101-E193 IonicContact NE-OE1 3.5Å; R101-E193 PolarHBondContact NE-OE1 3.44Å; R101-E193 VanDerWaalsContact NE-OE1 3.14Å; R101-E193 IonicContact NH2-OE1 2.83Å; R101-E193 PolarHBondContact NH2-OE1 2.91Å |
| 102 | D | 98 | Very high | 96.3 | Very high | 51 Ų | 51 | 30.6 Ų | 30.6 | 27% | 0.273 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.8 | -42 | -175.9 | -70.3 | -8.7 | 0 | 0 | 0 | 111.2 | L98 D99 V100 F104 I105 D106 R174 | L98-D102 VanDerWaalsContact O-CG 3.31Å; L98-D102 PolarHBondContact O-N 3.05Å; D99-D102 PolarHBondContact O-N 3.27Å; V100-D102 VanDerWaalsContact C-N 3.34Å; V100-D102 PolarHBondContact O-N 3.22Å; D102-F104 VanDerWaalsContact C-N 3.34Å; D102-F104 PolarHBondContact O-N 3.03Å; D102-I105 PolarHBondContact O-N 3.3Å; D102-D106 PolarHBondContact O-N 3.05Å; D102-R174 IonicContact OD1-CZ 3.04Å; D102-R174 IonicContact OD1-NH2 3.12Å; D102-R174 PolarHBondContact OD1-NH2 2.92Å; D102-R174 IonicContact OD2-CZ 2.81Å; D102-R174 VanDerWaalsContact OD2-CZ 3.25Å; D102-R174 IonicContact OD2-NH1 2.67Å; D102-R174 PolarHBondContact OD2-NH1 3.42Å; D102-R174 IonicContact OD2-NH2 2.69Å; D102-R174 PolarHBondContact OD2-NH2 3.5Å |
| 103 | H | 97.6 | Very high | 96 | Very high | 110 Ų | 110 | 30 Ų | 30 | 51% | 0.509 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.1 | -34.2 | 174.2 | -69.6 | 87.6 | 0 | 0 | 0 | 112.9 | L15 D99 V100 L107 | L15-H103 HydrophobicContact CD1-CB 3.91Å; L15-H103 HydrophobicContact CD2-CB 4.3Å; D99-H103 PolarHBondContact O-N 3.38Å; D99-H103 VanDerWaalsContact O-N 3.1Å; D99-H103 PolarHBondContact O-ND1 2.88Å; V100-H103 PolarHBondContact O-N 3.08Å; H103-L107 VanDerWaalsContact O-CB 3.3Å; H103-L107 WeakPolarHBondContact O-CB 3.48Å; H103-L107 PolarHBondContact O-N 2.78Å |
| 104 | F | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -49.9 | 174.7 | 168.7 | -95.3 | 0 | 0 | 0 | 111.2 | L15 V100 R101 D102 D106 L107 I108 L133 V134 Y137 I194 | L15-F104 HydrophobicContact CD2-CB 4.21Å; V100-F104 WeakPolarHBondContact O-CB 3.45Å; V100-F104 PolarHBondContact O-N 3.05Å; R101-F104 WeakPolarHBondContact O-CB 3.32Å; R101-F104 PolarHBondContact O-N 3.05Å; D102-F104 VanDerWaalsContact C-N 3.34Å; D102-F104 PolarHBondContact O-N 3.03Å; F104-D106 VanDerWaalsContact C-N 3.32Å; F104-D106 PolarHBondContact O-N 3.1Å; F104-L107 PolarHBondContact O-N 3.4Å; F104-I108 HydrophobicContact CD1-CD1 4.06Å; F104-I108 HydrophobicContact CD2-CG2 4.13Å; F104-I108 HydrophobicContact CE1-CD1 3.52Å; F104-I108 HydrophobicContact CE1-CG2 4.38Å; F104-I108 HydrophobicContact CE2-CG2 3.72Å; F104-I108 HydrophobicContact CZ-CD1 3.87Å; F104-I108 HydrophobicContact CZ-CG2 3.86Å; F104-I108 WeakPolarHBondContact O-CG1 3.22Å; F104-I108 WeakPolarHBondContact O-CG2 3.37Å; F104-I108 PolarHBondContact O-N 3.44Å; F104-L133 HydrophobicContact CD2-CD1 4.27Å; F104-L133 HydrophobicContact CD2-CD2 3.81Å; F104-L133 HydrophobicContact CD2-CG 3.66Å; F104-L133 HydrophobicContact CE2-CD2 4.05Å; F104-L133 HydrophobicContact CE2-CG 3.82Å; F104-V134 HydrophobicContact CE2-CG2 4.27Å; F104-V134 HydrophobicContact CZ-CG2 4.3Å; F104-Y137 HydrophobicContact CB-CD2 4.27Å; F104-Y137 AromaticContact CD1-CD1 3.76Å; F104-Y137 HydrophobicContact CD1-CD1 3.76Å; F104-Y137 AromaticContact CD1-CD2 3.55Å; F104-Y137 HydrophobicContact CD1-CD2 3.55Å; F104-Y137 AromaticContact CD1-CE1 3.85Å; F104-Y137 HydrophobicContact CD1-CE1 3.85Å; F104-Y137 AromaticContact CD1-CE2 3.69Å; F104-Y137 HydrophobicContact CD1-CE2 3.69Å; F104-Y137 AromaticContact CD1-CG 3.6Å; F104-Y137 HydrophobicContact CD1-CG 3.6Å; F104-Y137 AromaticContact CD1-CZ 3.82Å; F104-Y137 HydrophobicContact CD2-CD2 4.3Å; F104-Y137 HydrophobicContact CD2-CG 4.12Å; F104-Y137 AromaticContact CE1-CD1 3.2Å; F104-Y137 HydrophobicContact CE1-CD1 3.2Å; F104-Y137 AromaticContact CE1-CD2 3.9Å; F104-Y137 HydrophobicContact CE1-CD2 3.9Å; F104-Y137 AromaticContact CE1-CE1 3.46Å; F104-Y137 HydrophobicContact CE1-CE1 3.46Å; F104-Y137 VanDerWaalsContact CE1-CE1 3.46Å; F104-Y137 HydrophobicContact CE1-CE2 4.15Å; F104-Y137 AromaticContact CE1-CG 3.43Å; F104-Y137 HydrophobicContact CE1-CG 3.43Å; F104-Y137 VanDerWaalsContact CE1-CG 3.43Å; F104-Y137 AromaticContact CE1-CZ 3.94Å; F104-Y137 HydrophobicContact CE2-CD1 4.36Å; F104-Y137 AromaticContact CE2-CG 3.98Å; F104-Y137 HydrophobicContact CE2-CG 3.98Å; F104-Y137 AromaticContact CG-CD2 3.77Å; F104-Y137 HydrophobicContact CG-CD2 3.77Å; F104-Y137 HydrophobicContact CG-CE2 4.23Å; F104-Y137 AromaticContact CG-CG 3.95Å; F104-Y137 HydrophobicContact CG-CG 3.95Å; F104-Y137 AromaticContact CZ-CD1 3.56Å; F104-Y137 HydrophobicContact CZ-CD1 3.56Å; F104-Y137 HydrophobicContact CZ-CD2 4.41Å; F104-Y137 HydrophobicContact CZ-CE1 4.27Å; F104-Y137 AromaticContact CZ-CG 3.63Å; F104-Y137 HydrophobicContact CZ-CG 3.63Å; F104-I194 HydrophobicContact CE1-CD1 3.51Å; F104-I194 HydrophobicContact CZ-CD1 3.64Å |
| 105 | I | 97.3 | Very high | 95.3 | Very high | 47 Ų | 47 | 35.1 Ų | 35.1 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 178.8 | -68.1 | 170.4 | 0 | 0 | 0 | 110.9 | R101 D102 I108 G109 | R101-I105 HydrophobicContact CG-CD1 3.82Å; R101-I105 HydrophobicContact CG-CG1 4.48Å; R101-I105 WeakPolarHBondContact O-CG1 3.34Å; R101-I105 PolarHBondContact O-N 3.33Å; D102-I105 PolarHBondContact O-N 3.3Å; I105-I108 VanDerWaalsContact O-CG1 3.32Å; I105-I108 WeakPolarHBondContact O-CG1 3.46Å; I105-G109 PolarHBondContact O-N 3.34Å; I105-G109 VanDerWaalsContact O-N 3.1Å |
| 106 | D | 95.4 | Very high | 94.9 | Very high | 87 Ų | 87 | 35 Ų | 35 | 47% | 0.465 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.4 | -48.8 | 175.5 | -176.1 | 72.8 | 0 | 0 | 0 | 111.6 | R11 D102 F104 G109 C110 | R11-D106 IonicContact CZ-OD2 2.78Å; R11-D106 IonicContact NH1-OD2 3.09Å; R11-D106 PolarHBondContact NH1-OD2 3.25Å; R11-D106 IonicContact NH2-OD2 2.8Å; R11-D106 PolarHBondContact NH2-OD2 3.35Å; D102-D106 PolarHBondContact O-N 3.05Å; F104-D106 VanDerWaalsContact C-N 3.32Å; F104-D106 PolarHBondContact O-N 3.1Å; D106-G109 WeakPolarHBondContact O-CA 3.29Å; D106-G109 PolarHBondContact O-N 3.37Å; D106-C110 PolarHBondContact O-N 3.22Å; D106-C110 PolarHBondContact O-SG 3.06Å; D106-C110 VanDerWaalsContact O-SG 3.32Å |
| 107 | L | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.2 | -45.1 | -176.9 | -178.2 | 58.2 | 0 | 0 | 0 | 112.8 | L8 R11 L12 L15 H103 F104 G109 C110 L111 L133 | L8-L107 HydrophobicContact CD2-CD1 4Å; R11-L107 HydrophobicContact CB-CD1 3.95Å; R11-L107 HydrophobicContact CB-CD2 4.21Å; L12-L107 HydrophobicContact CD2-CD2 4.02Å; L12-L107 HydrophobicContact CG-CD2 4.21Å; L15-L107 HydrophobicContact CB-CD2 4.48Å; L15-L107 HydrophobicContact CD2-CB 4.37Å; L15-L107 HydrophobicContact CD2-CD2 3.87Å; H103-L107 VanDerWaalsContact O-CB 3.3Å; H103-L107 WeakPolarHBondContact O-CB 3.48Å; H103-L107 PolarHBondContact O-N 2.78Å; F104-L107 PolarHBondContact O-N 3.4Å; L107-G109 PolarHBondContact O-N 3.35Å; L107-C110 WeakPolarHBondContact O-CB 3.38Å; L107-C110 PolarHBondContact O-N 2.87Å; L107-L111 HydrophobicContact CD1-CD1 4.47Å; L107-L111 HydrophobicContact CD1-CG 4.44Å; L107-L111 HydrophobicContact CG-CD1 4.24Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 3.03Å; L107-L133 HydrophobicContact CD2-CD2 4.01Å |
| 108 | I | 95.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.6 | -33.4 | 176.1 | 67 | -175.6 | 0 | 0 | 0 | 111.3 | F104 I105 L111 A112 Y130 I194 Y197 | F104-I108 HydrophobicContact CD1-CD1 4.06Å; F104-I108 HydrophobicContact CD2-CG2 4.13Å; F104-I108 HydrophobicContact CE1-CD1 3.52Å; F104-I108 HydrophobicContact CE1-CG2 4.38Å; F104-I108 HydrophobicContact CE2-CG2 3.72Å; F104-I108 HydrophobicContact CZ-CD1 3.87Å; F104-I108 HydrophobicContact CZ-CG2 3.86Å; F104-I108 WeakPolarHBondContact O-CG1 3.22Å; F104-I108 WeakPolarHBondContact O-CG2 3.37Å; F104-I108 PolarHBondContact O-N 3.44Å; I105-I108 VanDerWaalsContact O-CG1 3.32Å; I105-I108 WeakPolarHBondContact O-CG1 3.46Å; I108-L111 PolarHBondContact O-N 3.01Å; I108-A112 VanDerWaalsContact O-CB 3.3Å; I108-A112 WeakPolarHBondContact O-CB 3.26Å; I108-A112 PolarHBondContact O-N 3.15Å; I108-Y130 HydrophobicContact CG2-CE2 4.36Å; I108-I194 HydrophobicContact CD1-CD1 3.82Å; I108-Y197 HydrophobicContact CB-CD2 4.46Å; I108-Y197 HydrophobicContact CD1-CD2 3.51Å; I108-Y197 HydrophobicContact CD1-CE2 3.36Å; I108-Y197 HydrophobicContact CG1-CD2 3.82Å; I108-Y197 HydrophobicContact CG1-CE2 3.54Å; I108-Y197 HydrophobicContact CG1-CG 4.49Å |
| 109 | G | 94 | Very high | 94.4 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | I105 D106 L107 A112 S113 | I105-G109 PolarHBondContact O-N 3.34Å; I105-G109 VanDerWaalsContact O-N 3.1Å; D106-G109 WeakPolarHBondContact O-CA 3.29Å; D106-G109 PolarHBondContact O-N 3.37Å; L107-G109 PolarHBondContact O-N 3.35Å; G109-A112 PolarHBondContact O-N 3.39Å; G109-S113 VanDerWaalsContact O-CB 3.31Å; G109-S113 WeakPolarHBondContact O-CB 3.37Å; G109-S113 PolarHBondContact O-N 3.44Å; G109-S113 PolarHBondContact O-OG 3.41Å |
| 110 | C | 92.4 | Very high | 94.3 | Very high | 25 Ų | 25 | 34.3 Ų | 34.3 | 17% | 0.169 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 173.8 | -68.1 | 0 | 0 | 0 | 0 | 112.2 | L8 D106 L107 S113 S114 | L8-C110 HydrophobicContact CD2-CB 4.16Å; D106-C110 PolarHBondContact O-N 3.22Å; D106-C110 PolarHBondContact O-SG 3.06Å; D106-C110 VanDerWaalsContact O-SG 3.32Å; L107-C110 WeakPolarHBondContact O-CB 3.38Å; L107-C110 PolarHBondContact O-N 2.87Å; C110-S113 WeakPolarHBondContact CA-OG 3.5Å; C110-S113 PolarHBondContact O-OG 3.44Å; C110-S114 WeakPolarHBondContact O-CB 3.1Å; C110-S114 PolarHBondContact O-N 3.46Å; C110-S114 PolarHBondContact O-OG 3.48Å |
| 111 | L | 92.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.9 | -43.3 | 179 | -70.6 | 169.1 | 0 | 0 | 0 | 112 | L8 L12 L107 I108 S114 K115 I116 Y130 | L8-L111 HydrophobicContact CD1-CD2 4.3Å; L8-L111 HydrophobicContact CD2-CD2 4.41Å; L12-L111 HydrophobicContact CD1-CD1 4.48Å; L12-L111 HydrophobicContact CD1-CD2 4.4Å; L12-L111 HydrophobicContact CD2-CD1 3.91Å; L12-L111 HydrophobicContact CG-CD1 4.41Å; L107-L111 HydrophobicContact CD1-CD1 4.47Å; L107-L111 HydrophobicContact CD1-CG 4.44Å; L107-L111 HydrophobicContact CG-CD1 4.24Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 3.03Å; I108-L111 PolarHBondContact O-N 3.01Å; L111-S114 PolarHBondContact O-N 3.3Å; L111-K115 PolarHBondContact O-N 2.86Å; L111-I116 HydrophobicContact CB-CG2 4.08Å; L111-I116 HydrophobicContact CD2-CD1 3.97Å; L111-I116 HydrophobicContact CD2-CG2 4.43Å; L111-I116 WeakPolarHBondContact O-CG2 3.13Å; L111-I116 PolarHBondContact O-N 3.1Å; L111-Y130 HydrophobicContact CD1-CD2 3.95Å; L111-Y130 HydrophobicContact CD1-CE2 4.4Å |
| 112 | A | 90.4 | Very high | 93.9 | Very high | 24 Ų | 24 | 34.3 Ų | 34.3 | 20% | 0.198 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.5 | -41 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I108 G109 S114 K115 Y197 | I108-A112 VanDerWaalsContact O-CB 3.3Å; I108-A112 WeakPolarHBondContact O-CB 3.26Å; I108-A112 PolarHBondContact O-N 3.15Å; G109-A112 PolarHBondContact O-N 3.39Å; A112-S114 VanDerWaalsContact C-N 3.28Å; A112-S114 PolarHBondContact O-N 3.19Å; A112-K115 WeakPolarHBondContact O-CA 3.24Å; A112-K115 PolarHBondContact O-N 2.93Å; A112-Y197 HydrophobicContact CB-CD1 3.44Å; A112-Y197 VanDerWaalsContact CB-CD1 3.44Å; A112-Y197 HydrophobicContact CB-CE1 4.03Å; A112-Y197 HydrophobicContact CB-CG 4.38Å |
| 113 | S | 90.2 | Very high | 93.7 | Very high | 93 Ų | 93 | 31.9 Ų | 31.9 | 65% | 0.65 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -66.7 | -30.1 | 175.9 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | G109 C110 K115 | G109-S113 VanDerWaalsContact O-CB 3.31Å; G109-S113 WeakPolarHBondContact O-CB 3.37Å; G109-S113 PolarHBondContact O-N 3.44Å; G109-S113 PolarHBondContact O-OG 3.41Å; C110-S113 WeakPolarHBondContact CA-OG 3.5Å; C110-S113 PolarHBondContact O-OG 3.44Å; S113-K115 PolarHBondContact O-N 3.29Å |
| 114 | S | 89.9 | Confident | 93.6 | Very high | 21 Ų | 21 | 27.5 Ų | 27.5 | 15% | 0.147 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -3.7 | 170.8 | -54.8 | 0 | 0 | 0 | 0 | 113.5 | C110 L111 A112 I116 E521 | C110-S114 WeakPolarHBondContact O-CB 3.1Å; C110-S114 PolarHBondContact O-N 3.46Å; C110-S114 PolarHBondContact O-OG 3.48Å; L111-S114 PolarHBondContact O-N 3.3Å; A112-S114 VanDerWaalsContact C-N 3.28Å; A112-S114 PolarHBondContact O-N 3.19Å; S114-I116 PolarHBondContact O-N 2.77Å; S114-E521 PolarHBondContact O-N 3.34Å |
| 115 | K | 90.2 | Very high | 93.5 | Very high | 109 Ų | 109 | 28.3 Ų | 28.3 | 47% | 0.474 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 46 | -176.6 | -67.9 | 167.8 | 171.7 | -177.5 | 0 | 112.3 | L111 A112 S113 E521 | L111-K115 PolarHBondContact O-N 2.86Å; A112-K115 WeakPolarHBondContact O-CA 3.24Å; A112-K115 PolarHBondContact O-N 2.93Å; S113-K115 PolarHBondContact O-N 3.29Å; K115-E521 HydrophobicContact CB-CB 3.88Å; K115-E521 HydrophobicContact CD-CB 4.16Å; K115-E521 HydrophobicContact CD-CG 4.33Å; K115-E521 WeakPolarHBondContact CD-OE1 3.41Å; K115-E521 WeakPolarHBondContact CD-OE2 3.32Å; K115-E521 WeakPolarHBondContact CE-OE2 3.34Å; K115-E521 IonicContact NZ-OE1 3.75Å; K115-E521 PolarHBondContact NZ-OE1 2.76Å; K115-E521 IonicContact NZ-OE2 2.73Å; K115-E521 PolarHBondContact NZ-OE2 2.95Å |
| 116 | I | 91.5 | Very high | 93.4 | Very high | 11 Ų | 11 | 26.2 Ų | 26.2 | 6% | 0.056 | 16% | 0.155 | C | C | . | . | trans | -58.5 | 142.9 | 177.8 | -163.2 | 167.7 | 0 | 0 | 0 | 110.7 | L111 S114 P118 V126 T200 S519 | L111-I116 HydrophobicContact CB-CG2 4.08Å; L111-I116 HydrophobicContact CD2-CD1 3.97Å; L111-I116 HydrophobicContact CD2-CG2 4.43Å; L111-I116 WeakPolarHBondContact O-CG2 3.13Å; L111-I116 PolarHBondContact O-N 3.1Å; S114-I116 PolarHBondContact O-N 2.77Å; I116-P118 VanDerWaalsContact C-CD 3.42Å; I116-P118 WeakPolarHBondContact O-CD 3.32Å; I116-V126 HydrophobicContact CD1-CG1 3.71Å; I116-T200 HydrophobicContact CG2-CG2 3.87Å; I116-S519 WeakPolarHBondContact CA-O 3.3Å | ||
| 117 | T | 91.8 | Very high | 93.5 | Very high | 38 Ų | 38 | 22 Ų | 22 | 23% | 0.233 | 13% | 0.133 | C | C | . | . | trans | -107.7 | 75.8 | -176.8 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | D119 N123 S519 | T117-D119 PolarHBondContact O-N 3.14Å; T117-N123 PolarHBondContact O-ND2 3.01Å; T117-S519 PolarHBondContact N-O 3.22Å; T117-S519 PolarHBondContact OG1-O 2.98Å | ||
| 118 | P | 95.2 | Very high | 93.5 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.019 | 15% | 0.145 | C | C | . | . | trans | -66.4 | 130.7 | -176.8 | 28.6 | -35.9 | 0 | 0 | 0 | 110.9 | I116 T127 T200 R203 A204 | I116-P118 VanDerWaalsContact C-CD 3.42Å; I116-P118 WeakPolarHBondContact O-CD 3.32Å; P118-T127 WeakPolarHBondContact CA-OG1 3.28Å; P118-T127 HydrophobicContact CB-CG2 4.14Å; P118-T127 WeakPolarHBondContact CB-OG1 3.45Å; P118-T200 HydrophobicContact CG-CG2 3.91Å; P118-T200 WeakPolarHBondContact CG-O 3.47Å; P118-R203 HydrophobicContact CG-CB 4.28Å; P118-R203 WeakPolarHBondContact O-CG 3.39Å; P118-A204 HydrophobicContact CB-CB 3.82Å; P118-A204 HydrophobicContact CG-CB 3.82Å | ||
| 119 | D | 95.7 | Very high | 93.6 | Very high | 42 Ų | 42 | 25.5 Ų | 25.5 | 23% | 0.225 | 15% | 0.146 | C | C | . | . | trans | -152.2 | 112.9 | 175.4 | -175.3 | -28.4 | 0 | 0 | 0 | 108.4 | T117 T121 V122 N123 T127 | T117-D119 PolarHBondContact O-N 3.14Å; D119-T121 PolarHBondContact O-N 3.3Å; D119-T121 WeakPolarHBondContact OD1-CB 3.36Å; D119-T121 PolarHBondContact OD1-N 3.14Å; D119-T121 PolarHBondContact OD1-OG1 3.41Å; D119-V122 HydrophobicContact CB-CB 4.1Å; D119-V122 HydrophobicContact CB-CG2 4.15Å; D119-V122 PolarHBondContact O-N 2.86Å; D119-N123 PolarHBondContact N-OD1 3.49Å; D119-N123 PolarHBondContact O-N 3.06Å; D119-N123 PolarHBondContact O-OD1 3.39Å; D119-T127 PolarHBondContact N-OG1 2.96Å | ||
| 120 | I | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.2 | -177 | -159.1 | 67.9 | 0 | 0 | 0 | 112.7 | F124 T127 R128 S207 L208 F211 I251 | I120-F124 HydrophobicContact CD1-CD2 3.9Å; I120-F124 HydrophobicContact CD1-CE2 4.23Å; I120-F124 HydrophobicContact CG1-CD2 4Å; I120-F124 HydrophobicContact CG1-CE2 4.39Å; I120-F124 WeakPolarHBondContact O-CA 3.43Å; I120-F124 WeakPolarHBondContact O-CB 3.35Å; I120-T127 HydrophobicContact CB-CG2 4.12Å; I120-T127 HydrophobicContact CD1-CG2 3.98Å; I120-R128 HydrophobicContact CD1-CB 4.04Å; I120-S207 WeakPolarHBondContact CB-OG 3.18Å; I120-S207 WeakPolarHBondContact CG2-O 3.18Å; I120-S207 PolarHBondContact N-OG 3.18Å; I120-L208 HydrophobicContact CB-CD2 4.32Å; I120-L208 HydrophobicContact CG1-CD2 4.15Å; I120-L208 HydrophobicContact CG2-CD2 4.36Å; I120-F211 HydrophobicContact CG2-CD2 4.16Å; I120-F211 HydrophobicContact CG2-CE2 3.9Å; I120-I251 HydrophobicContact CD1-CD1 4.2Å; I120-I251 HydrophobicContact CG1-CD1 4.14Å |
| 121 | T | 92.7 | Very high | 94.1 | Very high | 21 Ų | 21 | 24 Ų | 24 | 13% | 0.129 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -12.6 | 178.2 | 71.9 | 0 | 0 | 0 | 0 | 113.5 | D119 F211 R531 | D119-T121 PolarHBondContact O-N 3.3Å; D119-T121 WeakPolarHBondContact OD1-CB 3.36Å; D119-T121 PolarHBondContact OD1-N 3.14Å; D119-T121 PolarHBondContact OD1-OG1 3.41Å; T121-F211 HydrophobicContact CG2-CE2 3.74Å; T121-F211 HydrophobicContact CG2-CZ 4.13Å; T121-R531 PolarHBondContact O-NH1 3.28Å; T121-R531 PolarHBondContact OG1-NH1 2.89Å |
| 122 | V | 93.9 | Very high | 94.4 | Very high | 13 Ų | 13 | 26.7 Ų | 26.7 | 8% | 0.079 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -64.9 | -178 | -178.6 | 0 | 0 | 0 | 0 | 111 | D119 L527 V534 | D119-V122 HydrophobicContact CB-CB 4.1Å; D119-V122 HydrophobicContact CB-CG2 4.15Å; D119-V122 PolarHBondContact O-N 2.86Å; V122-L527 HydrophobicContact CG1-CB 3.6Å; V122-V534 HydrophobicContact CG1-CG1 4.31Å; V122-V534 HydrophobicContact CG1-CG2 4.38Å; V122-V534 WeakPolarHBondContact O-CG1 3.38Å |
| 123 | N | 94.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -107.5 | 63.3 | -179.7 | 49.8 | 28.8 | 0 | 0 | 0 | 109.4 | T117 D119 D125 V126 T127 Q515 S519 | T117-N123 PolarHBondContact O-ND2 3.01Å; D119-N123 PolarHBondContact N-OD1 3.49Å; D119-N123 PolarHBondContact O-N 3.06Å; D119-N123 PolarHBondContact O-OD1 3.39Å; N123-D125 PolarHBondContact O-N 2.89Å; N123-V126 HydrophobicContact CB-CB 4.39Å; N123-V126 PolarHBondContact O-N 3.05Å; N123-T127 WeakPolarHBondContact O-CB 3.34Å; N123-T127 PolarHBondContact O-N 3.28Å; N123-T127 PolarHBondContact O-OG1 3.2Å; N123-T127 PolarHBondContact OD1-OG1 2.69Å; N123-Q515 HydrophobicContact CB-CB 4.13Å; N123-Q515 HydrophobicContact CB-CG 4.25Å; N123-Q515 PolarHBondContact O-OE1 3.46Å; N123-S519 WeakPolarHBondContact CB-OG 3.31Å; N123-S519 VanDerWaalsContact ND2-CB 3.29Å; N123-S519 WeakPolarHBondContact ND2-CB 3.45Å; N123-S519 PolarHBondContact ND2-OG 3.39Å |
| 124 | F | 95 | Very high | 95.1 | Very high | 18 Ų | 18 | 21.3 Ų | 21.3 | 8% | 0.079 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -47.8 | -57 | -172.5 | 172.7 | -103.4 | 0 | 0 | 0 | 113.6 | I120 T127 R128 G247 C248 I251 | I120-F124 HydrophobicContact CD1-CD2 3.9Å; I120-F124 HydrophobicContact CD1-CE2 4.23Å; I120-F124 HydrophobicContact CG1-CD2 4Å; I120-F124 HydrophobicContact CG1-CE2 4.39Å; I120-F124 WeakPolarHBondContact O-CA 3.43Å; I120-F124 WeakPolarHBondContact O-CB 3.35Å; F124-T127 PolarHBondContact O-N 2.66Å; F124-R128 WeakPolarHBondContact O-CB 3.17Å; F124-R128 PolarHBondContact O-N 3.01Å; F124-G247 WeakPolarHBondContact CZ-O 3.28Å; F124-C248 WeakPolarHBondContact CD2-SG 3.47Å; F124-C248 HydrophobicContact CE2-CB 4.31Å; F124-I251 HydrophobicContact CE2-CD1 3.9Å; F124-I251 HydrophobicContact CE2-CG1 4.22Å; F124-I251 HydrophobicContact CZ-CG1 4.43Å |
| 125 | D | 94.9 | Very high | 95.6 | Very high | 16 Ų | 16 | 20.5 Ų | 20.5 | 9% | 0.086 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.9 | -41.8 | -173.8 | -62.3 | -73.6 | 0 | 0 | 0 | 111.2 | N123 R128 I129 L512 Q515 | N123-D125 PolarHBondContact O-N 2.89Å; D125-R128 PolarHBondContact O-N 3.2Å; D125-I129 HydrophobicContact CB-CD1 4.4Å; D125-I129 VanDerWaalsContact O-CB 3.25Å; D125-I129 WeakPolarHBondContact O-CB 3.49Å; D125-I129 WeakPolarHBondContact O-CD1 3.47Å; D125-I129 WeakPolarHBondContact O-CG1 3.48Å; D125-I129 PolarHBondContact O-N 3.2Å; D125-L512 HydrophobicContact CB-CD1 3.64Å; D125-Q515 PolarHBondContact OD2-NE2 3.34Å |
| 126 | V | 95.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 15.5 Ų | 15.5 | 2% | 0.018 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.3 | -47.8 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L12 I116 N123 Y130 L512 Q515 A516 | L12-V126 HydrophobicContact CD1-CG1 4.2Å; I116-V126 HydrophobicContact CD1-CG1 3.71Å; N123-V126 HydrophobicContact CB-CB 4.39Å; N123-V126 PolarHBondContact O-N 3.05Å; V126-Y130 WeakPolarHBondContact O-CB 3.34Å; V126-Y130 PolarHBondContact O-N 3.3Å; V126-L512 HydrophobicContact CG2-CD1 3.72Å; V126-Q515 HydrophobicContact CB-CB 4.47Å; V126-Q515 HydrophobicContact CG2-CB 3.51Å; V126-Q515 VanDerWaalsContact N-OE1 3.1Å; V126-A516 HydrophobicContact CG2-CB 4.16Å |
| 127 | T | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66 | -43.4 | -179.1 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | P118 D119 I120 N123 F124 Y130 L131 A204 | P118-T127 WeakPolarHBondContact CA-OG1 3.28Å; P118-T127 HydrophobicContact CB-CG2 4.14Å; P118-T127 WeakPolarHBondContact CB-OG1 3.45Å; D119-T127 PolarHBondContact N-OG1 2.96Å; I120-T127 HydrophobicContact CB-CG2 4.12Å; I120-T127 HydrophobicContact CD1-CG2 3.98Å; N123-T127 WeakPolarHBondContact O-CB 3.34Å; N123-T127 PolarHBondContact O-N 3.28Å; N123-T127 PolarHBondContact O-OG1 3.2Å; N123-T127 PolarHBondContact OD1-OG1 2.69Å; F124-T127 PolarHBondContact O-N 2.66Å; T127-Y130 PolarHBondContact O-N 3.03Å; T127-L131 HydrophobicContact CG2-CD1 4.01Å; T127-L131 HydrophobicContact CG2-CG 4.49Å; T127-L131 WeakPolarHBondContact O-CB 3.18Å; T127-L131 WeakPolarHBondContact O-CG 3.22Å; T127-L131 PolarHBondContact O-N 2.9Å; T127-A204 HydrophobicContact CG2-CB 4.07Å |
| 128 | R | 96.8 | Very high | 96.6 | Very high | 65 Ų | 65 | 13.1 Ų | 13.1 | 25% | 0.245 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.5 | -53.5 | 176.3 | -176.3 | 179.9 | 75.2 | 115.5 | 5.7 | 111.6 | I120 F124 D125 Y130 L131 E132 W259 | I120-R128 HydrophobicContact CD1-CB 4.04Å; F124-R128 WeakPolarHBondContact O-CB 3.17Å; F124-R128 PolarHBondContact O-N 3.01Å; D125-R128 PolarHBondContact O-N 3.2Å; R128-Y130 VanDerWaalsContact C-N 3.31Å; R128-Y130 PolarHBondContact O-N 2.83Å; R128-L131 PolarHBondContact O-N 2.88Å; R128-E132 WeakPolarHBondContact O-CB 3.33Å; R128-E132 PolarHBondContact O-N 2.58Å; R128-W259 HydrophobicContact CG-CH2 3.79Å; R128-W259 HydrophobicContact CG-CZ2 4.09Å |
| 129 | I | 97 | Very high | 96.7 | Very high | 10 Ų | 10 | 13 Ų | 13 | 5% | 0.051 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.2 | -34.9 | -177.5 | -65.3 | 168 | 0 | 0 | 0 | 110.8 | L12 N16 D125 L133 L512 | L12-I129 HydrophobicContact CB-CG2 3.89Å; L12-I129 HydrophobicContact CD2-CG2 4.34Å; L12-I129 WeakPolarHBondContact O-CG2 3.2Å; N16-I129 WeakPolarHBondContact ND2-CG2 3.33Å; N16-I129 PolarHBondContact ND2-O 2.81Å; D125-I129 HydrophobicContact CB-CD1 4.4Å; D125-I129 VanDerWaalsContact O-CB 3.25Å; D125-I129 WeakPolarHBondContact O-CB 3.49Å; D125-I129 WeakPolarHBondContact O-CD1 3.47Å; D125-I129 WeakPolarHBondContact O-CG1 3.48Å; D125-I129 PolarHBondContact O-N 3.2Å; I129-L133 VanDerWaalsContact O-CB 3.3Å; I129-L133 WeakPolarHBondContact O-CB 3.35Å; I129-L133 PolarHBondContact O-N 3.47Å; I129-L512 HydrophobicContact CD1-CD1 3.97Å; I129-L512 HydrophobicContact CD1-CD2 4.1Å |
| 130 | Y | 97.9 | Very high | 96.8 | Very high | 10 Ų | 10 | 11 Ų | 11 | 4% | 0.039 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.7 | -46.9 | 174.2 | 170.4 | -105 | 0 | 0 | 0 | 112.6 | I108 L111 V126 T127 R128 E132 L133 V134 T200 L201 A204 | I108-Y130 HydrophobicContact CG2-CE2 4.36Å; L111-Y130 HydrophobicContact CD1-CD2 3.95Å; L111-Y130 HydrophobicContact CD1-CE2 4.4Å; V126-Y130 WeakPolarHBondContact O-CB 3.34Å; V126-Y130 PolarHBondContact O-N 3.3Å; T127-Y130 PolarHBondContact O-N 3.03Å; R128-Y130 VanDerWaalsContact C-N 3.31Å; R128-Y130 PolarHBondContact O-N 2.83Å; Y130-E132 VanDerWaalsContact C-N 3.31Å; Y130-E132 PolarHBondContact O-N 2.79Å; Y130-L133 WeakPolarHBondContact O-CB 3.42Å; Y130-L133 PolarHBondContact O-N 2.77Å; Y130-V134 HydrophobicContact CD2-CG2 4.48Å; Y130-V134 HydrophobicContact CE2-CG2 4.05Å; Y130-V134 WeakPolarHBondContact O-CG2 3.43Å; Y130-V134 PolarHBondContact O-N 3.31Å; Y130-V134 VanDerWaalsContact O-N 3.11Å; Y130-T200 HydrophobicContact CE1-CG2 4.25Å; Y130-L201 HydrophobicContact CE1-CD1 4.12Å; Y130-A204 HydrophobicContact CD1-CB 4.08Å; Y130-A204 HydrophobicContact CE1-CB 4.07Å |
| 131 | L | 98.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 11 Ų | 11 | 2% | 0.016 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64 | -39.4 | 177.4 | -73.5 | 171.3 | 0 | 0 | 0 | 111.7 | T127 R128 V134 S135 L201 A204 L205 L208 W259 | T127-L131 HydrophobicContact CG2-CD1 4.01Å; T127-L131 HydrophobicContact CG2-CG 4.49Å; T127-L131 WeakPolarHBondContact O-CB 3.18Å; T127-L131 WeakPolarHBondContact O-CG 3.22Å; T127-L131 PolarHBondContact O-N 2.9Å; R128-L131 PolarHBondContact O-N 2.88Å; L131-V134 PolarHBondContact O-N 2.69Å; L131-S135 WeakPolarHBondContact O-CB 3.14Å; L131-S135 PolarHBondContact O-N 3.44Å; L131-L201 HydrophobicContact CD2-CD1 3.91Å; L131-A204 HydrophobicContact CD1-CB 4.35Å; L131-A204 HydrophobicContact CD2-CB 3.72Å; L131-A204 HydrophobicContact CG-CB 4.03Å; L131-L205 HydrophobicContact CD2-CD2 3.72Å; L131-L205 HydrophobicContact CD2-CG 4.19Å; L131-L208 HydrophobicContact CD1-CD1 4.02Å; L131-L208 HydrophobicContact CD1-CD2 4.16Å; L131-L208 HydrophobicContact CD1-CG 4.27Å; L131-W259 HydrophobicContact CB-CB 4.37Å; L131-W259 HydrophobicContact CB-CD2 3.66Å; L131-W259 HydrophobicContact CB-CE3 4.15Å; L131-W259 HydrophobicContact CB-CG 3.78Å; L131-W259 HydrophobicContact CB-CZ2 4.39Å; L131-W259 HydrophobicContact CD1-CD2 4.12Å; L131-W259 HydrophobicContact CD1-CE3 3.75Å; L131-W259 HydrophobicContact CD1-CZ3 4.21Å; L131-W259 HydrophobicContact CG-CD2 4.48Å |
| 132 | E | 98.1 | Very high | 97.2 | Very high | 60 Ų | 60 | 10.3 Ų | 10.3 | 28% | 0.28 | 5% | 0.047 | S | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 174 | -172.1 | 163.8 | -159.7 | 0 | 0 | 112 | R128 Y130 V134 S135 N136 W259 | R128-E132 WeakPolarHBondContact O-CB 3.33Å; R128-E132 PolarHBondContact O-N 2.58Å; Y130-E132 VanDerWaalsContact C-N 3.31Å; Y130-E132 PolarHBondContact O-N 2.79Å; E132-V134 VanDerWaalsContact C-N 3.34Å; E132-V134 PolarHBondContact O-N 2.93Å; E132-S135 PolarHBondContact O-N 2.98Å; E132-N136 WeakPolarHBondContact CG-ND2 3.22Å; E132-N136 WeakPolarHBondContact O-CB 3.29Å; E132-N136 PolarHBondContact O-N 2.87Å; E132-W259 HydrophobicContact CB-CZ2 4.42Å |
| 133 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -57.2 | -45.9 | 177.3 | -170.3 | 71.7 | 0 | 0 | 0 | 112 | L12 L15 N16 Q19 F104 L107 I129 Y130 Y137 | L12-L133 HydrophobicContact CD2-CD2 4.18Å; L15-L133 HydrophobicContact CB-CD1 4.17Å; L15-L133 HydrophobicContact CD2-CD1 3.94Å; L15-L133 HydrophobicContact CD2-CD2 4.34Å; L15-L133 HydrophobicContact CG-CD1 3.84Å; N16-L133 WeakPolarHBondContact ND2-CB 3.41Å; N16-L133 VanDerWaalsContact OD1-CA 3.31Å; N16-L133 WeakPolarHBondContact OD1-CA 3.5Å; N16-L133 PolarHBondContact OD1-N 3.31Å; N16-L133 VanDerWaalsContact OD1-N 3.12Å; Q19-L133 PolarHBondContact NE2-O 3.25Å; Q19-L133 PolarHBondContact OE1-O 3.03Å; F104-L133 HydrophobicContact CD2-CD1 4.27Å; F104-L133 HydrophobicContact CD2-CD2 3.81Å; F104-L133 HydrophobicContact CD2-CG 3.66Å; F104-L133 HydrophobicContact CE2-CD2 4.05Å; F104-L133 HydrophobicContact CE2-CG 3.82Å; L107-L133 HydrophobicContact CD2-CD2 4.01Å; I129-L133 VanDerWaalsContact O-CB 3.3Å; I129-L133 WeakPolarHBondContact O-CB 3.35Å; I129-L133 PolarHBondContact O-N 3.47Å; Y130-L133 WeakPolarHBondContact O-CB 3.42Å; Y130-L133 PolarHBondContact O-N 2.77Å; L133-Y137 VanDerWaalsContact O-CB 3.25Å; L133-Y137 WeakPolarHBondContact O-CB 3.45Å; L133-Y137 PolarHBondContact O-N 2.93Å |
| 134 | V | 98.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 9.7 Ų | 9.7 | 2% | 0.024 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -66.8 | -42 | 179 | 174.6 | 0 | 0 | 0 | 0 | 111 | F104 Y130 L131 E132 Y137 F138 L201 L266 | F104-V134 HydrophobicContact CE2-CG2 4.27Å; F104-V134 HydrophobicContact CZ-CG2 4.3Å; Y130-V134 HydrophobicContact CD2-CG2 4.48Å; Y130-V134 HydrophobicContact CE2-CG2 4.05Å; Y130-V134 WeakPolarHBondContact O-CG2 3.43Å; Y130-V134 PolarHBondContact O-N 3.31Å; Y130-V134 VanDerWaalsContact O-N 3.11Å; L131-V134 PolarHBondContact O-N 2.69Å; E132-V134 VanDerWaalsContact C-N 3.34Å; E132-V134 PolarHBondContact O-N 2.93Å; V134-Y137 PolarHBondContact O-N 3.23Å; V134-F138 PolarHBondContact O-N 3.21Å; V134-L201 HydrophobicContact CG1-CD1 4.3Å; V134-L201 HydrophobicContact CG1-CD2 4.16Å; V134-L266 HydrophobicContact CG1-CD1 3.85Å |
| 135 | S | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 10.7 Ų | 10.7 | 2% | 0.021 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -68.2 | -42.4 | 179.4 | 176.4 | 0 | 0 | 0 | 0 | 112.9 | L131 E132 Y137 F138 A139 R258 F262 | L131-S135 WeakPolarHBondContact O-CB 3.14Å; L131-S135 PolarHBondContact O-N 3.44Å; E132-S135 PolarHBondContact O-N 2.98Å; S135-Y137 VanDerWaalsContact C-N 3.32Å; S135-F138 PolarHBondContact O-N 3.45Å; S135-A139 WeakPolarHBondContact O-CB 3.34Å; S135-A139 PolarHBondContact O-N 2.91Å; S135-R258 PolarHBondContact OG-NH2 3.34Å; S135-F262 WeakPolarHBondContact OG-CD2 3.39Å |
| 136 | N | 97.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 13.5 Ų | 13.5 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -70.5 | -30.5 | 176.2 | -73.9 | -19.5 | 0 | 0 | 0 | 111.3 | Q19 E132 A139 M140 R258 | Q19-N136 HydrophobicContact CG-CB 3.99Å; E132-N136 WeakPolarHBondContact CG-ND2 3.22Å; E132-N136 WeakPolarHBondContact O-CB 3.29Å; E132-N136 PolarHBondContact O-N 2.87Å; N136-A139 PolarHBondContact O-N 3.48Å; N136-M140 VanDerWaalsContact O-CB 3.28Å; N136-M140 WeakPolarHBondContact O-CB 3.46Å; N136-M140 PolarHBondContact O-N 2.87Å; N136-R258 PolarHBondContact OD1-NH2 2.87Å |
| 137 | Y | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.8 | -49.4 | 171.6 | 179.9 | -110 | 0 | 0 | 0 | 111.7 | Q19 R101 F104 L133 V134 S135 A139 M140 M141 L190 E193 I194 | Q19-Y137 VanDerWaalsContact NE2-CB 3.26Å; R101-Y137 HydrophobicContact CB-CE2 3.94Å; R101-Y137 HydrophobicContact CG-CE2 4.04Å; R101-Y137 WeakPolarHBondContact CG-OH 3.44Å; F104-Y137 HydrophobicContact CB-CD2 4.27Å; F104-Y137 AromaticContact CD1-CD1 3.76Å; F104-Y137 HydrophobicContact CD1-CD1 3.76Å; F104-Y137 AromaticContact CD1-CD2 3.55Å; F104-Y137 HydrophobicContact CD1-CD2 3.55Å; F104-Y137 AromaticContact CD1-CE1 3.85Å; F104-Y137 HydrophobicContact CD1-CE1 3.85Å; F104-Y137 AromaticContact CD1-CE2 3.69Å; F104-Y137 HydrophobicContact CD1-CE2 3.69Å; F104-Y137 AromaticContact CD1-CG 3.6Å; F104-Y137 HydrophobicContact CD1-CG 3.6Å; F104-Y137 AromaticContact CD1-CZ 3.82Å; F104-Y137 HydrophobicContact CD2-CD2 4.3Å; F104-Y137 HydrophobicContact CD2-CG 4.12Å; F104-Y137 AromaticContact CE1-CD1 3.2Å; F104-Y137 HydrophobicContact CE1-CD1 3.2Å; F104-Y137 AromaticContact CE1-CD2 3.9Å; F104-Y137 HydrophobicContact CE1-CD2 3.9Å; F104-Y137 AromaticContact CE1-CE1 3.46Å; F104-Y137 HydrophobicContact CE1-CE1 3.46Å; F104-Y137 VanDerWaalsContact CE1-CE1 3.46Å; F104-Y137 HydrophobicContact CE1-CE2 4.15Å; F104-Y137 AromaticContact CE1-CG 3.43Å; F104-Y137 HydrophobicContact CE1-CG 3.43Å; F104-Y137 VanDerWaalsContact CE1-CG 3.43Å; F104-Y137 AromaticContact CE1-CZ 3.94Å; F104-Y137 HydrophobicContact CE2-CD1 4.36Å; F104-Y137 AromaticContact CE2-CG 3.98Å; F104-Y137 HydrophobicContact CE2-CG 3.98Å; F104-Y137 AromaticContact CG-CD2 3.77Å; F104-Y137 HydrophobicContact CG-CD2 3.77Å; F104-Y137 HydrophobicContact CG-CE2 4.23Å; F104-Y137 AromaticContact CG-CG 3.95Å; F104-Y137 HydrophobicContact CG-CG 3.95Å; F104-Y137 AromaticContact CZ-CD1 3.56Å; F104-Y137 HydrophobicContact CZ-CD1 3.56Å; F104-Y137 HydrophobicContact CZ-CD2 4.41Å; F104-Y137 HydrophobicContact CZ-CE1 4.27Å; F104-Y137 AromaticContact CZ-CG 3.63Å; F104-Y137 HydrophobicContact CZ-CG 3.63Å; L133-Y137 VanDerWaalsContact O-CB 3.25Å; L133-Y137 WeakPolarHBondContact O-CB 3.45Å; L133-Y137 PolarHBondContact O-N 2.93Å; V134-Y137 PolarHBondContact O-N 3.23Å; S135-Y137 VanDerWaalsContact C-N 3.32Å; Y137-A139 VanDerWaalsContact C-N 3.29Å; Y137-A139 PolarHBondContact O-N 3.49Å; Y137-M140 HydrophobicContact CD2-CE 3.96Å; Y137-M140 HydrophobicContact CE2-CE 4.24Å; Y137-M140 PolarHBondContact O-N 3.12Å; Y137-M141 HydrophobicContact CD2-CG 4.05Å; Y137-M141 HydrophobicContact CE1-CG 4.2Å; Y137-M141 HydrophobicContact CE2-CG 3.59Å; Y137-M141 HydrophobicContact CE2-SD 4.08Å; Y137-M141 WeakPolarHBondContact O-CB 3.28Å; Y137-M141 WeakPolarHBondContact O-CG 3.35Å; Y137-M141 PolarHBondContact O-N 3.38Å; Y137-L190 HydrophobicContact CD1-CD2 4.14Å; Y137-L190 HydrophobicContact CE1-CD2 3.42Å; Y137-L190 VanDerWaalsContact CE1-CD2 3.42Å; Y137-E193 PolarHBondContact OH-OE2 3.46Å; Y137-I194 HydrophobicContact CD1-CD1 4.38Å; Y137-I194 HydrophobicContact CE1-CD1 4.41Å |
| 138 | F | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -54.6 | -48.9 | 172.1 | 175.9 | -88.3 | 0 | 0 | 0 | 110.8 | V134 S135 M140 M141 F142 L187 L190 F262 L265 L266 L292 I298 | V134-F138 PolarHBondContact O-N 3.21Å; S135-F138 PolarHBondContact O-N 3.45Å; F138-M140 PolarHBondContact O-N 2.94Å; F138-M141 PolarHBondContact O-N 3.33Å; F138-F142 HydrophobicContact CE1-CB 4.2Å; F138-F142 HydrophobicContact CE1-CG 4.3Å; F138-F142 HydrophobicContact CE2-CD2 4.35Å; F138-F142 HydrophobicContact CZ-CB 4.3Å; F138-F142 HydrophobicContact CZ-CD2 4.03Å; F138-F142 HydrophobicContact CZ-CG 4.09Å; F138-F142 WeakPolarHBondContact O-CB 3.25Å; F138-F142 PolarHBondContact O-N 2.91Å; F138-L187 HydrophobicContact CE2-CD1 3.78Å; F138-L190 HydrophobicContact CD2-CD1 3.98Å; F138-L190 HydrophobicContact CE2-CD1 4.35Å; F138-F262 HydrophobicContact CB-CB 4.23Å; F138-F262 HydrophobicContact CB-CD2 4.36Å; F138-F262 HydrophobicContact CB-CG 4.43Å; F138-F262 HydrophobicContact CD1-CB 3.94Å; F138-F262 AromaticContact CD1-CD1 3.58Å; F138-F262 HydrophobicContact CD1-CD1 3.58Å; F138-F262 AromaticContact CD1-CD2 3.45Å; F138-F262 HydrophobicContact CD1-CD2 3.45Å; F138-F262 VanDerWaalsContact CD1-CD2 3.45Å; F138-F262 AromaticContact CD1-CE1 3.89Å; F138-F262 HydrophobicContact CD1-CE1 3.89Å; F138-F262 AromaticContact CD1-CE2 3.74Å; F138-F262 HydrophobicContact CD1-CE2 3.74Å; F138-F262 AromaticContact CD1-CG 3.37Å; F138-F262 HydrophobicContact CD1-CG 3.37Å; F138-F262 AromaticContact CD1-CZ 3.96Å; F138-F262 HydrophobicContact CD1-CZ 3.96Å; F138-F262 HydrophobicContact CD2-CB 4.43Å; F138-F262 HydrophobicContact CE1-CB 4.46Å; F138-F262 AromaticContact CE1-CD1 3.37Å; F138-F262 HydrophobicContact CE1-CD1 3.37Å; F138-F262 HydrophobicContact CE1-CD2 4.08Å; F138-F262 AromaticContact CE1-CE1 3.46Å; F138-F262 HydrophobicContact CE1-CE1 3.46Å; F138-F262 VanDerWaalsContact CE1-CE1 3.46Å; F138-F262 HydrophobicContact CE1-CE2 4.13Å; F138-F262 AromaticContact CE1-CG 3.72Å; F138-F262 HydrophobicContact CE1-CG 3.72Å; F138-F262 AromaticContact CE1-CZ 3.85Å; F138-F262 HydrophobicContact CE1-CZ 3.85Å; F138-F262 HydrophobicContact CG-CB 3.93Å; F138-F262 HydrophobicContact CG-CD1 4.36Å; F138-F262 HydrophobicContact CG-CD2 4.14Å; F138-F262 AromaticContact CG-CG 3.91Å; F138-F262 HydrophobicContact CG-CG 3.91Å; F138-F262 AromaticContact CZ-CD1 4Å; F138-F262 HydrophobicContact CZ-CD1 4Å; F138-F262 HydrophobicContact CZ-CE1 4.31Å; F138-F262 HydrophobicContact CZ-CG 4.49Å; F138-L265 HydrophobicContact CE2-CD2 3.9Å; F138-L265 HydrophobicContact CZ-CD2 3.95Å; F138-L266 HydrophobicContact CB-CD1 4.38Å; F138-L266 HydrophobicContact CD2-CD1 4.4Å; F138-L266 HydrophobicContact CD2-CD2 4.12Å; F138-L266 HydrophobicContact CD2-CG 4.28Å; F138-L292 HydrophobicContact CD1-CD1 4.36Å; F138-L292 HydrophobicContact CE1-CD1 4.15Å; F138-I298 HydrophobicContact CE1-CD1 3.65Å; F138-I298 HydrophobicContact CZ-CD1 4.05Å |
| 139 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L23 S135 N136 Y137 L143 L292 | L23-A139 HydrophobicContact CD1-CB 4.48Å; L23-A139 HydrophobicContact CD2-CB 4.12Å; S135-A139 WeakPolarHBondContact O-CB 3.34Å; S135-A139 PolarHBondContact O-N 2.91Å; N136-A139 PolarHBondContact O-N 3.48Å; Y137-A139 VanDerWaalsContact C-N 3.29Å; Y137-A139 PolarHBondContact O-N 3.49Å; A139-L143 WeakPolarHBondContact O-CB 3.45Å; A139-L143 PolarHBondContact O-N 3.46Å; A139-L292 HydrophobicContact CB-CD1 3.92Å; A139-L292 HydrophobicContact CB-CG 4.48Å; A139-L292 WeakPolarHBondContact CB-O 3.32Å |
| 140 | M | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.9 | -52.1 | 177.7 | -176.2 | -175.4 | 67.1 | 0 | 0 | 111.9 | Q19 V22 L23 I26 V97 V100 N136 Y137 F138 L143 I144 | Q19-M140 HydrophobicContact CG-SD 4.42Å; V22-M140 HydrophobicContact CB-SD 4.4Å; V22-M140 HydrophobicContact CG1-SD 3.75Å; L23-M140 HydrophobicContact CD1-CB 4.22Å; I26-M140 HydrophobicContact CD1-CG 3.64Å; I26-M140 HydrophobicContact CD1-SD 4.47Å; V97-M140 HydrophobicContact CG1-CE 3.97Å; V97-M140 HydrophobicContact CG1-CG 4.41Å; V97-M140 HydrophobicContact CG1-SD 4.24Å; V97-M140 HydrophobicContact CG2-CG 4.3Å; V97-M140 HydrophobicContact CG2-SD 4.24Å; V100-M140 HydrophobicContact CB-CE 4.16Å; V100-M140 HydrophobicContact CB-SD 4.3Å; V100-M140 HydrophobicContact CG1-CE 3.74Å; V100-M140 HydrophobicContact CG1-SD 4.02Å; N136-M140 VanDerWaalsContact O-CB 3.28Å; N136-M140 WeakPolarHBondContact O-CB 3.46Å; N136-M140 PolarHBondContact O-N 2.87Å; Y137-M140 HydrophobicContact CD2-CE 3.96Å; Y137-M140 HydrophobicContact CE2-CE 4.24Å; Y137-M140 PolarHBondContact O-N 3.12Å; F138-M140 PolarHBondContact O-N 2.94Å; M140-L143 PolarHBondContact O-N 3.09Å; M140-I144 WeakPolarHBondContact O-CG1 3.41Å; M140-I144 PolarHBondContact O-N 3.37Å |
| 141 | M | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.6 | -39.1 | -177.5 | -66.5 | -62.9 | -63.9 | 0 | 0 | 112 | V97 Y137 F138 I178 F179 M186 L190 | V97-M141 HydrophobicContact CG1-SD 3.81Å; Y137-M141 HydrophobicContact CD2-CG 4.05Å; Y137-M141 HydrophobicContact CE1-CG 4.2Å; Y137-M141 HydrophobicContact CE2-CG 3.59Å; Y137-M141 HydrophobicContact CE2-SD 4.08Å; Y137-M141 WeakPolarHBondContact O-CB 3.28Å; Y137-M141 WeakPolarHBondContact O-CG 3.35Å; Y137-M141 PolarHBondContact O-N 3.38Å; F138-M141 PolarHBondContact O-N 3.33Å; M141-I178 HydrophobicContact CE-CG2 3.65Å; M141-F179 HydrophobicContact CE-CD1 4.45Å; M141-F179 HydrophobicContact CE-CE1 3.98Å; M141-F179 HydrophobicContact SD-CE1 4.21Å; M141-M186 HydrophobicContact CB-SD 4.18Å; M141-M186 HydrophobicContact CE-CE 4.46Å; M141-M186 HydrophobicContact CE-SD 3.94Å; M141-L190 HydrophobicContact CB-CD1 4.06Å; M141-L190 HydrophobicContact CB-CD2 3.75Å; M141-L190 HydrophobicContact CB-CG 4.41Å; M141-L190 HydrophobicContact CG-CD2 3.88Å |
| 142 | F | 97.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 18.9 Ų | 18.9 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -74.6 | -33.4 | 179.8 | -160.2 | -93.7 | 0 | 0 | 0 | 112.3 | F138 I144 T145 L292 I298 L303 | F138-F142 HydrophobicContact CE1-CB 4.2Å; F138-F142 HydrophobicContact CE1-CG 4.3Å; F138-F142 HydrophobicContact CE2-CD2 4.35Å; F138-F142 HydrophobicContact CZ-CB 4.3Å; F138-F142 HydrophobicContact CZ-CD2 4.03Å; F138-F142 HydrophobicContact CZ-CG 4.09Å; F138-F142 WeakPolarHBondContact O-CB 3.25Å; F138-F142 PolarHBondContact O-N 2.91Å; F142-I144 VanDerWaalsContact C-N 3.26Å; F142-I144 PolarHBondContact O-N 3.3Å; F142-T145 WeakPolarHBondContact O-CB 3.32Å; F142-T145 PolarHBondContact O-N 3.32Å; F142-T145 VanDerWaalsContact O-N 3.16Å; F142-T145 PolarHBondContact O-OG1 3.08Å; F142-L292 HydrophobicContact CB-CD1 4.21Å; F142-L292 HydrophobicContact CD1-CD1 4.23Å; F142-L292 HydrophobicContact CD1-CD2 4.12Å; F142-I298 HydrophobicContact CD1-CD1 3.85Å; F142-I298 HydrophobicContact CD1-CG1 4.32Å; F142-I298 HydrophobicContact CE1-CD1 3.84Å; F142-I298 HydrophobicContact CE1-CG1 4.01Å; F142-L303 HydrophobicContact CE2-CD2 4.39Å; F142-L303 HydrophobicContact CZ-CD1 4.1Å; F142-L303 HydrophobicContact CZ-CD2 3.95Å |
| 143 | L | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.1 | -32.8 | 176.5 | -177.9 | 61.8 | 0 | 0 | 0 | 112.3 | L23 I26 H27 K30 A139 M140 T145 R146 L292 E296 | L23-L143 HydrophobicContact CD1-CD2 3.74Å; I26-L143 HydrophobicContact CG2-CD2 4Å; I26-L143 HydrophobicContact CG2-CG 4.22Å; H27-L143 HydrophobicContact CB-CD2 3.96Å; K30-L143 HydrophobicContact CD-CD1 3.96Å; A139-L143 WeakPolarHBondContact O-CB 3.45Å; A139-L143 PolarHBondContact O-N 3.46Å; M140-L143 PolarHBondContact O-N 3.09Å; L143-T145 PolarHBondContact O-N 3.13Å; L143-R146 WeakPolarHBondContact O-CA 3.44Å; L143-R146 WeakPolarHBondContact O-CB 3.27Å; L143-R146 PolarHBondContact O-N 3.13Å; L143-L292 HydrophobicContact CB-CD2 4.11Å; L143-L292 HydrophobicContact CD1-CD2 4.06Å; L143-E296 HydrophobicContact CD1-CB 4.36Å; L143-E296 HydrophobicContact CD1-CG 3.86Å |
| 144 | I | 97.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -56.4 | -33.7 | 176 | -69 | 166.2 | 0 | 0 | 0 | 112.1 | I26 F94 V97 M140 F142 R146 I147 F179 | I26-I144 HydrophobicContact CG2-CG1 4.36Å; F94-I144 HydrophobicContact CE1-CG2 4.28Å; V97-I144 HydrophobicContact CB-CD1 4.3Å; V97-I144 HydrophobicContact CG1-CD1 3.54Å; V97-I144 HydrophobicContact CG2-CD1 4Å; M140-I144 WeakPolarHBondContact O-CG1 3.41Å; M140-I144 PolarHBondContact O-N 3.37Å; F142-I144 VanDerWaalsContact C-N 3.26Å; F142-I144 PolarHBondContact O-N 3.3Å; I144-R146 PolarHBondContact O-N 3.09Å; I144-R146 VanDerWaalsContact O-N 3.12Å; I144-I147 HydrophobicContact CG1-CD1 4.32Å; I144-I147 PolarHBondContact O-N 3.08Å; I144-I147 VanDerWaalsContact O-N 3.13Å; I144-F179 HydrophobicContact CD1-CD1 3.8Å; I144-F179 HydrophobicContact CD1-CE1 3.85Å; I144-F179 HydrophobicContact CD1-CG 4.36Å; I144-F179 HydrophobicContact CD1-CZ 4.42Å; I144-F179 HydrophobicContact CG2-CB 3.69Å; I144-F179 HydrophobicContact CG2-CD1 4.14Å; I144-F179 HydrophobicContact CG2-CG 4.05Å |
| 145 | T | 96.1 | Very high | 96.5 | Very high | 40 Ų | 40 | 15.8 Ų | 15.8 | 25% | 0.245 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14.6 | 177.4 | 73.6 | 0 | 0 | 0 | 0 | 113.3 | F142 L143 M186 | F142-T145 WeakPolarHBondContact O-CB 3.32Å; F142-T145 PolarHBondContact O-N 3.32Å; F142-T145 VanDerWaalsContact O-N 3.16Å; F142-T145 PolarHBondContact O-OG1 3.08Å; L143-T145 PolarHBondContact O-N 3.13Å; T145-M186 HydrophobicContact CG2-CB 3.68Å; T145-M186 HydrophobicContact CG2-CE 4.13Å; T145-M186 HydrophobicContact CG2-CG 3.81Å |
| 146 | R | 95.5 | Very high | 96.3 | Very high | 74 Ų | 74 | 15.7 Ų | 15.7 | 28% | 0.279 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 0.5 | 179.6 | -55.5 | -175.5 | 176.9 | -169.4 | -3.7 | 113.6 | K30 L143 I144 E296 V297 | K30-R146 HydrophobicContact CD-CB 4.27Å; K30-R146 WeakPolarHBondContact CE-O 3.27Å; L143-R146 WeakPolarHBondContact O-CA 3.44Å; L143-R146 WeakPolarHBondContact O-CB 3.27Å; L143-R146 PolarHBondContact O-N 3.13Å; I144-R146 PolarHBondContact O-N 3.09Å; I144-R146 VanDerWaalsContact O-N 3.12Å; R146-E296 WeakPolarHBondContact CD-OE2 3.31Å; R146-E296 IonicContact CZ-OE2 3.09Å; R146-E296 IonicContact NE-OE2 3.04Å; R146-E296 IonicContact NH1-OE2 2.6Å; R146-E296 PolarHBondContact NH1-OE2 2.89Å; R146-V297 PolarHBondContact NH1-O 3.47Å; R146-V297 PolarHBondContact NH2-O 2.89Å |
| 147 | I | 95.4 | Very high | 96.2 | Very high | 11 Ų | 11 | 15.5 Ų | 15.5 | 6% | 0.056 | 8% | 0.078 | C | C | . | . | trans | -84.8 | 123.3 | 178 | -56.6 | 176.2 | 0 | 0 | 0 | 108.1 | I26 M29 K30 L33 F94 I144 T150 | I26-I147 HydrophobicContact CG2-CD1 3.34Å; I26-I147 HydrophobicContact CG2-CG1 4.4Å; M29-I147 HydrophobicContact CE-CD1 3.67Å; M29-I147 HydrophobicContact CE-CG2 4.42Å; K30-I147 HydrophobicContact CB-CG1 4.16Å; K30-I147 HydrophobicContact CG-CG1 4.41Å; L33-I147 HydrophobicContact CD1-CG2 3.73Å; F94-I147 HydrophobicContact CE1-CD1 4.05Å; F94-I147 HydrophobicContact CZ-CD1 4.34Å; F94-I147 HydrophobicContact CZ-CG2 4.37Å; I144-I147 HydrophobicContact CG1-CD1 4.32Å; I144-I147 PolarHBondContact O-N 3.08Å; I144-I147 VanDerWaalsContact O-N 3.13Å; I147-T150 PolarHBondContact O-OG1 3.07Å | ||
| 148 | S | 91.5 | Very high | 96.1 | Very high | 45 Ų | 45 | 15.8 Ų | 15.8 | 32% | 0.315 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 152.8 | 173.7 | 48.8 | 0 | 0 | 0 | 0 | 110.6 | T150 | S148-T150 PolarHBondContact O-N 3.17Š|
| 149 | D | 93 | Very high | 95.8 | Very high | 33 Ų | 33 | 15.9 Ų | 15.9 | 18% | 0.176 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 10.6 | 172.8 | -51.7 | -55.7 | 0 | 0 | 0 | 116 | R39 L43 K151 A152 I153 | R39-D149 IonicContact CZ-OD2 2.91Å; R39-D149 VanDerWaalsContact CZ-OD2 3.25Å; R39-D149 IonicContact NE-OD2 3.86Å; R39-D149 PolarHBondContact NE-OD2 3.1Å; R39-D149 IonicContact NH2-OD1 2.92Å; R39-D149 PolarHBondContact NH2-OD1 2.92Å; R39-D149 IonicContact NH2-OD2 3.56Å; R39-D149 PolarHBondContact NH2-OD2 3.06Å; L43-D149 HydrophobicContact CD1-CB 4.13Å; L43-D149 HydrophobicContact CD2-CB 4.3Å; D149-K151 VanDerWaalsContact C-N 3.32Å; D149-K151 PolarHBondContact O-N 2.67Å; D149-A152 HydrophobicContact CB-CB 4.21Å; D149-A152 CarbonylContact O-C 3.59Å; D149-A152 WeakPolarHBondContact O-CA 3.44Å; D149-A152 VanDerWaalsContact O-CB 3.32Å; D149-A152 WeakPolarHBondContact O-CB 3.37Å; D149-A152 PolarHBondContact O-N 3.06Å; D149-I153 HydrophobicContact CB-CD1 4.46Å; D149-I153 HydrophobicContact CB-CG1 4.5Å; D149-I153 WeakPolarHBondContact O-CG1 3.4Å; D149-I153 PolarHBondContact O-N 3.16Å |
| 150 | T | 95.7 | Very high | 95.5 | Very high | 10 Ų | 10 | 15.9 Ų | 15.9 | 6% | 0.061 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -50.6 | -49 | 178.5 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | F94 I147 S148 A152 I153 L154 F179 | F94-T150 HydrophobicContact CE1-CG2 4.01Å; F94-T150 HydrophobicContact CZ-CG2 3.88Å; I147-T150 PolarHBondContact O-OG1 3.07Å; S148-T150 PolarHBondContact O-N 3.17Å; T150-A152 VanDerWaalsContact C-N 3.27Å; T150-A152 PolarHBondContact O-N 2.97Å; T150-I153 PolarHBondContact O-N 2.79Å; T150-L154 HydrophobicContact CG2-CD1 4.05Å; T150-L154 HydrophobicContact CG2-CG 4.47Å; T150-L154 WeakPolarHBondContact O-CB 3.27Å; T150-L154 VanDerWaalsContact O-CG 3.25Å; T150-L154 WeakPolarHBondContact O-CG 3.43Å; T150-L154 PolarHBondContact O-N 3.23Å; T150-F179 HydrophobicContact CG2-CB 4.21Å |
| 151 | K | 95.3 | Very high | 95.4 | Very high | 102 Ų | 102 | 17.9 Ų | 17.9 | 44% | 0.443 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -56.9 | -42.1 | 175.5 | -75.5 | -179.3 | 178.7 | 179.6 | 0 | 112.2 | L58 F61 D149 I155 T180 | L58-K151 HydrophobicContact CD2-CB 4.32Å; F61-K151 HydrophobicContact CD1-CD 4.41Å; F61-K151 HydrophobicContact CD1-CG 4.48Å; F61-K151 HydrophobicContact CD2-CB 4.31Å; F61-K151 HydrophobicContact CE1-CG 4.25Å; F61-K151 HydrophobicContact CE2-CB 4.2Å; F61-K151 HydrophobicContact CE2-CG 4.31Å; F61-K151 HydrophobicContact CZ-CG 4.19Å; D149-K151 VanDerWaalsContact C-N 3.32Å; D149-K151 PolarHBondContact O-N 2.67Å; K151-I155 WeakPolarHBondContact O-CB 3.28Å; K151-I155 WeakPolarHBondContact O-CG2 3.39Å; K151-I155 PolarHBondContact O-N 2.8Å; K151-I155 VanDerWaalsContact O-N 3.09Å; K151-T180 HydrophobicContact CG-CG2 3.62Å |
| 152 | A | 94.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 3% | 0.025 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -70.5 | -45.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P44 W54 D149 T150 L156 | P44-A152 HydrophobicContact CG-CB 3.71Å; W54-A152 HydrophobicContact CE3-CB 4.31Å; W54-A152 HydrophobicContact CH2-CB 3.54Å; W54-A152 WeakPolarHBondContact CH2-O 3.49Å; W54-A152 HydrophobicContact CZ2-CB 4.32Å; W54-A152 HydrophobicContact CZ3-CB 3.53Å; D149-A152 HydrophobicContact CB-CB 4.21Å; D149-A152 CarbonylContact O-C 3.59Å; D149-A152 WeakPolarHBondContact O-CA 3.44Å; D149-A152 VanDerWaalsContact O-CB 3.32Å; D149-A152 WeakPolarHBondContact O-CB 3.37Å; D149-A152 PolarHBondContact O-N 3.06Å; T150-A152 VanDerWaalsContact C-N 3.27Å; T150-A152 PolarHBondContact O-N 2.97Å; A152-L156 WeakPolarHBondContact O-CB 3.44Å; A152-L156 PolarHBondContact O-N 3.38Å |
| 153 | I | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.6 | -50.2 | 175.9 | -66.5 | 166.6 | 0 | 0 | 0 | 110.1 | L33 L43 L87 F94 D149 T150 F157 | L33-I153 HydrophobicContact CD1-CD1 3.73Å; L33-I153 HydrophobicContact CD2-CD1 4.26Å; L43-I153 HydrophobicContact CD2-CG1 4.08Å; L87-I153 HydrophobicContact CD2-CG1 4.29Å; L87-I153 HydrophobicContact CD2-CG2 4.34Å; F94-I153 HydrophobicContact CE2-CG2 4.18Å; D149-I153 HydrophobicContact CB-CD1 4.46Å; D149-I153 HydrophobicContact CB-CG1 4.5Å; D149-I153 WeakPolarHBondContact O-CG1 3.4Å; D149-I153 PolarHBondContact O-N 3.16Å; T150-I153 PolarHBondContact O-N 2.79Å; I153-F157 VanDerWaalsContact O-CB 3.26Å; I153-F157 WeakPolarHBondContact O-CB 3.24Å; I153-F157 PolarHBondContact O-N 3.26Å |
| 154 | L | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61 | -51.2 | -178.2 | -67.6 | 176.8 | 0 | 0 | 0 | 111.8 | Y91 F94 T150 N158 Y172 M175 F179 T180 | Y91-L154 HydrophobicContact CD2-CD2 3.93Å; Y91-L154 HydrophobicContact CE2-CD2 3.7Å; F94-L154 HydrophobicContact CB-CD2 4.47Å; F94-L154 HydrophobicContact CD2-CD2 4.15Å; F94-L154 HydrophobicContact CG-CD2 4.43Å; T150-L154 HydrophobicContact CG2-CD1 4.05Å; T150-L154 HydrophobicContact CG2-CG 4.47Å; T150-L154 WeakPolarHBondContact O-CB 3.27Å; T150-L154 VanDerWaalsContact O-CG 3.25Å; T150-L154 WeakPolarHBondContact O-CG 3.43Å; T150-L154 PolarHBondContact O-N 3.23Å; L154-N158 WeakPolarHBondContact O-CB 3.3Å; L154-N158 PolarHBondContact O-N 3.1Å; L154-Y172 HydrophobicContact CB-CD2 4.2Å; L154-Y172 HydrophobicContact CB-CE2 3.97Å; L154-Y172 WeakPolarHBondContact O-CD2 3.26Å; L154-Y172 WeakPolarHBondContact O-CE2 3.42Å; L154-M175 HydrophobicContact CD1-CB 4.34Å; L154-M175 HydrophobicContact CD2-CB 4.05Å; L154-M175 HydrophobicContact CD2-CE 4.06Å; L154-M175 HydrophobicContact CD2-SD 4.4Å; L154-F179 HydrophobicContact CD1-CB 4.44Å; L154-T180 HydrophobicContact CD1-CG2 3.94Å |
| 155 | I | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.6 | -36.7 | -174.1 | -164.9 | 162.9 | 0 | 0 | 0 | 112.7 | W54 L57 L58 F61 V64 K151 F159 Y172 | W54-I155 HydrophobicContact CZ3-CG2 4.32Å; L57-I155 HydrophobicContact CD1-CD1 4.27Å; L57-I155 HydrophobicContact CD1-CG1 3.96Å; L57-I155 HydrophobicContact CD2-CG1 4.47Å; L57-I155 HydrophobicContact CD2-CG2 3.81Å; L57-I155 HydrophobicContact CG-CB 4.49Å; L57-I155 HydrophobicContact CG-CD1 4.12Å; L57-I155 HydrophobicContact CG-CG1 3.91Å; L57-I155 HydrophobicContact CG-CG2 3.84Å; L57-I155 WeakPolarHBondContact O-CD1 3.46Å; L58-I155 HydrophobicContact CD2-CG2 4.09Å; F61-I155 HydrophobicContact CB-CD1 4.26Å; F61-I155 HydrophobicContact CD2-CB 3.93Å; F61-I155 HydrophobicContact CD2-CD1 3.68Å; F61-I155 HydrophobicContact CD2-CG1 4.32Å; F61-I155 HydrophobicContact CD2-CG2 4.41Å; F61-I155 HydrophobicContact CE2-CB 4.06Å; F61-I155 HydrophobicContact CG-CD1 4.42Å; V64-I155 HydrophobicContact CG2-CD1 3.96Å; V64-I155 HydrophobicContact CG2-CG1 3.69Å; K151-I155 WeakPolarHBondContact O-CB 3.28Å; K151-I155 WeakPolarHBondContact O-CG2 3.39Å; K151-I155 PolarHBondContact O-N 2.8Å; K151-I155 VanDerWaalsContact O-N 3.09Å; I155-F159 VanDerWaalsContact O-CB 3.3Å; I155-F159 WeakPolarHBondContact O-CB 3.28Å; I155-F159 PolarHBondContact O-N 3.33Å; I155-Y172 HydrophobicContact CB-CE2 4.37Å; I155-Y172 WeakPolarHBondContact CG1-OH 3.48Å |
| 156 | L | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.9 | -43.3 | 178.6 | -179 | 57.3 | 0 | 0 | 0 | 110.8 | W54 L57 F76 L87 A152 N158 F159 L160 | W54-L156 HydrophobicContact CH2-CB 3.66Å; W54-L156 HydrophobicContact CH2-CD2 3.52Å; W54-L156 HydrophobicContact CH2-CG 4.16Å; W54-L156 HydrophobicContact CZ2-CD2 3.61Å; W54-L156 HydrophobicContact CZ3-CB 4.15Å; L57-L156 HydrophobicContact CD2-CB 3.98Å; L57-L156 HydrophobicContact CD2-CD1 3.98Å; F76-L156 HydrophobicContact CD1-CD1 3.85Å; F76-L156 HydrophobicContact CD1-CD2 4.16Å; F76-L156 HydrophobicContact CD2-CD1 3.89Å; F76-L156 HydrophobicContact CE1-CD1 3.92Å; F76-L156 HydrophobicContact CE1-CD2 3.69Å; F76-L156 HydrophobicContact CE2-CD1 3.95Å; F76-L156 HydrophobicContact CG-CD1 3.86Å; F76-L156 HydrophobicContact CZ-CD1 3.98Å; F76-L156 HydrophobicContact CZ-CD2 4.08Å; L87-L156 HydrophobicContact CD1-CB 4.02Å; L87-L156 HydrophobicContact CD1-CD2 3.63Å; L87-L156 HydrophobicContact CD1-CG 3.56Å; A152-L156 WeakPolarHBondContact O-CB 3.44Å; A152-L156 PolarHBondContact O-N 3.38Å; L156-N158 VanDerWaalsContact C-N 3.34Å; L156-N158 PolarHBondContact O-N 2.92Å; L156-F159 HydrophobicContact CD1-CD1 4.11Å; L156-F159 PolarHBondContact O-N 3.34Å; L156-L160 HydrophobicContact CD1-CD1 4.13Å; L156-L160 HydrophobicContact CD1-CD2 4.42Å; L156-L160 HydrophobicContact CD1-CG 4.06Å; L156-L160 HydrophobicContact CG-CD1 4.07Å; L156-L160 HydrophobicContact CG-CG 4.44Å; L156-L160 VanDerWaalsContact O-CG 3.25Å; L156-L160 WeakPolarHBondContact O-CG 3.24Å; L156-L160 PolarHBondContact O-N 2.83Å |
| 157 | F | 95.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -46.7 | 174.7 | -171.2 | -93.3 | 0 | 0 | 0 | 111.2 | F84 L87 Y91 F92 I153 F159 L160 Y161 E169 | F84-F157 HydrophobicContact CD2-CD2 4.29Å; F84-F157 AromaticContact CD2-CE2 3.92Å; F84-F157 HydrophobicContact CD2-CE2 3.92Å; F84-F157 HydrophobicContact CD2-CZ 4.36Å; F84-F157 HydrophobicContact CE2-CD2 4.31Å; F84-F157 HydrophobicContact CE2-CE1 4.23Å; F84-F157 AromaticContact CE2-CE2 3.69Å; F84-F157 HydrophobicContact CE2-CE2 3.69Å; F84-F157 AromaticContact CE2-CZ 3.65Å; F84-F157 HydrophobicContact CE2-CZ 3.65Å; F84-F157 HydrophobicContact CG-CE2 4.47Å; F84-F157 HydrophobicContact CZ-CE2 4.04Å; F84-F157 AromaticContact CZ-CZ 3.78Å; F84-F157 HydrophobicContact CZ-CZ 3.78Å; L87-F157 HydrophobicContact CB-CB 4.43Å; L87-F157 HydrophobicContact CB-CD2 3.78Å; Y91-F157 AromaticContact CD1-CD1 3.45Å; Y91-F157 HydrophobicContact CD1-CD1 3.45Å; Y91-F157 VanDerWaalsContact CD1-CD1 3.45Å; Y91-F157 AromaticContact CD1-CE1 3.45Å; Y91-F157 HydrophobicContact CD1-CE1 3.45Å; Y91-F157 VanDerWaalsContact CD1-CE1 3.45Å; Y91-F157 HydrophobicContact CD1-CG 4.14Å; Y91-F157 HydrophobicContact CD1-CZ 4.16Å; Y91-F157 HydrophobicContact CD2-CB 3.5Å; Y91-F157 VanDerWaalsContact CD2-CB 3.5Å; Y91-F157 AromaticContact CD2-CD1 3.45Å; Y91-F157 HydrophobicContact CD2-CD1 3.45Å; Y91-F157 VanDerWaalsContact CD2-CD1 3.45Å; Y91-F157 HydrophobicContact CD2-CE1 4.32Å; Y91-F157 AromaticContact CD2-CG 3.56Å; Y91-F157 HydrophobicContact CD2-CG 3.56Å; Y91-F157 AromaticContact CE1-CD1 3.61Å; Y91-F157 HydrophobicContact CE1-CD1 3.61Å; Y91-F157 AromaticContact CE1-CE1 3.68Å; Y91-F157 HydrophobicContact CE1-CE1 3.68Å; Y91-F157 HydrophobicContact CE2-CB 3.96Å; Y91-F157 AromaticContact CE2-CD1 3.61Å; Y91-F157 HydrophobicContact CE2-CD1 3.61Å; Y91-F157 HydrophobicContact CE2-CG 4.09Å; Y91-F157 HydrophobicContact CG-CB 4.03Å; Y91-F157 AromaticContact CG-CD1 3.35Å; Y91-F157 HydrophobicContact CG-CD1 3.35Å; Y91-F157 HydrophobicContact CG-CD2 4.2Å; Y91-F157 AromaticContact CG-CE1 3.78Å; Y91-F157 HydrophobicContact CG-CE1 3.78Å; Y91-F157 AromaticContact CG-CG 3.58Å; Y91-F157 HydrophobicContact CG-CG 3.58Å; Y91-F157 HydrophobicContact CG-CZ 4.37Å; Y91-F157 AromaticContact CZ-CD1 3.67Å; F92-F157 HydrophobicContact CE2-CZ 4.33Å; F92-F157 HydrophobicContact CZ-CZ 4.49Å; I153-F157 VanDerWaalsContact O-CB 3.26Å; I153-F157 WeakPolarHBondContact O-CB 3.24Å; I153-F157 PolarHBondContact O-N 3.26Å; F157-F159 PolarHBondContact O-N 3.36Å; F157-L160 PolarHBondContact O-N 2.96Å; F157-Y161 HydrophobicContact CE1-CD2 4.18Å; F157-Y161 VanDerWaalsContact O-CB 3.27Å; F157-Y161 WeakPolarHBondContact O-CB 3.47Å; F157-Y161 PolarHBondContact O-N 2.94Å; F157-E169 HydrophobicContact CE1-CG 4.23Å |
| 158 | N | 95.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -41 | 176.8 | 177.9 | 67.3 | 0 | 0 | 0 | 112.7 | L154 L156 Y161 D162 Q168 E169 Y172 | L154-N158 WeakPolarHBondContact O-CB 3.3Å; L154-N158 PolarHBondContact O-N 3.1Å; L156-N158 VanDerWaalsContact C-N 3.34Å; L156-N158 PolarHBondContact O-N 2.92Å; N158-Y161 PolarHBondContact O-N 3.1Å; N158-D162 WeakPolarHBondContact O-CB 3.42Å; N158-D162 PolarHBondContact O-N 3.1Å; N158-Q168 WeakPolarHBondContact OD1-CG 3.43Å; N158-E169 PolarHBondContact OD1-N 3.49Å; N158-Y172 HydrophobicContact CB-CD1 4.04Å; N158-Y172 HydrophobicContact CB-CD2 3.41Å; N158-Y172 VanDerWaalsContact CB-CD2 3.41Å; N158-Y172 HydrophobicContact CB-CE1 4.34Å; N158-Y172 HydrophobicContact CB-CE2 3.77Å; N158-Y172 HydrophobicContact CB-CG 3.55Å; N158-Y172 VanDerWaalsContact CG-CG 3.48Å |
| 159 | F | 92.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.3 | -48.3 | 175 | 167.1 | -109.2 | 0 | 0 | 0 | 111.5 | L57 V64 V66 M73 F76 F77 I155 L156 F157 Y161 D162 Q163 | L57-F159 HydrophobicContact CD1-CB 4.09Å; L57-F159 HydrophobicContact CD1-CG 4.26Å; V64-F159 HydrophobicContact CG1-CD2 3.9Å; V66-F159 HydrophobicContact CG2-CD2 4.02Å; V66-F159 HydrophobicContact CG2-CE2 3.62Å; V66-F159 HydrophobicContact CG2-CZ 4.38Å; M73-F159 HydrophobicContact CE-CD1 3.97Å; M73-F159 HydrophobicContact CE-CD2 4.45Å; M73-F159 HydrophobicContact CE-CE1 3.48Å; M73-F159 VanDerWaalsContact CE-CE1 3.48Å; M73-F159 HydrophobicContact CE-CE2 4.04Å; M73-F159 HydrophobicContact CE-CG 4.41Å; M73-F159 HydrophobicContact CE-CZ 3.51Å; F76-F159 HydrophobicContact CB-CE1 4.3Å; F77-F159 HydrophobicContact CD1-CZ 4.48Å; F77-F159 HydrophobicContact CE1-CE1 4.4Å; F77-F159 AromaticContact CE1-CZ 3.66Å; F77-F159 HydrophobicContact CE1-CZ 3.66Å; F77-F159 HydrophobicContact CE2-CZ 4.5Å; F77-F159 HydrophobicContact CZ-CE2 4.43Å; F77-F159 AromaticContact CZ-CZ 3.67Å; F77-F159 HydrophobicContact CZ-CZ 3.67Å; I155-F159 VanDerWaalsContact O-CB 3.3Å; I155-F159 WeakPolarHBondContact O-CB 3.28Å; I155-F159 PolarHBondContact O-N 3.33Å; L156-F159 HydrophobicContact CD1-CD1 4.11Å; L156-F159 PolarHBondContact O-N 3.34Å; F157-F159 PolarHBondContact O-N 3.36Å; F159-Y161 VanDerWaalsContact C-N 3.34Å; F159-Y161 PolarHBondContact O-N 2.71Å; F159-D162 PolarHBondContact O-N 3.14Å; F159-Q163 HydrophobicContact CD2-CG 4.22Å; F159-Q163 HydrophobicContact CE2-CG 3.75Å; F159-Q163 HydrophobicContact CZ-CG 3.95Å; F159-Q163 VanDerWaalsContact O-CG 3.29Å; F159-Q163 WeakPolarHBondContact O-CG 3.26Å; F159-Q163 PolarHBondContact O-N 3.21Å; F159-Q163 VanDerWaalsContact O-N 3.07Å |
| 160 | L | 93.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.8 | -38 | 178.9 | -62.4 | 171.5 | 0 | 0 | 0 | 111.5 | Q80 L83 F84 L87 L156 F157 Q163 L164 | Q80-L160 HydrophobicContact CB-CD2 4.27Å; Q80-L160 HydrophobicContact CG-CD2 3.88Å; L83-L160 HydrophobicContact CB-CD1 3.68Å; F84-L160 HydrophobicContact CB-CD1 4.45Å; F84-L160 HydrophobicContact CD2-CB 3.92Å; L87-L160 HydrophobicContact CD1-CD1 4.06Å; L156-L160 HydrophobicContact CD1-CD1 4.13Å; L156-L160 HydrophobicContact CD1-CD2 4.42Å; L156-L160 HydrophobicContact CD1-CG 4.06Å; L156-L160 HydrophobicContact CG-CD1 4.07Å; L156-L160 HydrophobicContact CG-CG 4.44Å; L156-L160 VanDerWaalsContact O-CG 3.25Å; L156-L160 WeakPolarHBondContact O-CG 3.24Å; L156-L160 PolarHBondContact O-N 2.83Å; F157-L160 PolarHBondContact O-N 2.96Å; L160-Q163 PolarHBondContact O-N 3.47Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.22Å; L160-L164 PolarHBondContact O-N 2.93Å |
| 161 | Y | 94.1 | Very high | 93.9 | Very high | 42 Ų | 42 | 43 Ų | 43 | 17% | 0.165 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 175.5 | -170.6 | -81 | 0 | 0 | 0 | 111.6 | F84 F157 N158 F159 Q163 L164 H165 K167 E169 | F84-Y161 AromaticContact CE2-CD2 3.97Å; F84-Y161 HydrophobicContact CE2-CD2 3.97Å; F84-Y161 HydrophobicContact CE2-CG 4.46Å; F84-Y161 AromaticContact CZ-CD2 3.98Å; F84-Y161 HydrophobicContact CZ-CD2 3.98Å; F157-Y161 HydrophobicContact CE1-CD2 4.18Å; F157-Y161 VanDerWaalsContact O-CB 3.27Å; F157-Y161 WeakPolarHBondContact O-CB 3.47Å; F157-Y161 PolarHBondContact O-N 2.94Å; N158-Y161 PolarHBondContact O-N 3.1Å; F159-Y161 VanDerWaalsContact C-N 3.34Å; F159-Y161 PolarHBondContact O-N 2.71Å; Y161-Q163 VanDerWaalsContact C-N 3.3Å; Y161-Q163 PolarHBondContact O-N 2.92Å; Y161-L164 PolarHBondContact O-N 3.44Å; Y161-L164 VanDerWaalsContact O-N 3.13Å; Y161-H165 HydrophobicContact CD1-CB 4.21Å; Y161-H165 AromaticContact CD1-CD2 3.77Å; Y161-H165 AromaticContact CD2-CD2 3.5Å; Y161-H165 AromaticContact CD2-NE2 3.97Å; Y161-H165 HydrophobicContact CE1-CB 3.88Å; Y161-H165 AromaticContact CE1-CD2 3.66Å; Y161-H165 AromaticContact CE1-CG 3.99Å; Y161-H165 AromaticContact CE2-CD2 3.39Å; Y161-H165 WeakPolarHBondContact CE2-CD2 3.34Å; Y161-H165 AromaticContact CE2-NE2 3.72Å; Y161-H165 AromaticContact CG-CD2 3.68Å; Y161-H165 AromaticContact CZ-CD2 3.47Å; Y161-H165 VanDerWaalsContact CZ-CD2 3.47Å; Y161-H165 AromaticContact CZ-CG 3.96Å; Y161-H165 WeakPolarHBondContact O-CB 3.43Å; Y161-H165 PolarHBondContact O-CD2 3.14Å; Y161-H165 PolarHBondContact O-N 3.06Å; Y161-K167 VanDerWaalsContact CD1-O 3.32Å; Y161-K167 WeakPolarHBondContact CD1-O 3.35Å; Y161-K167 HydrophobicContact CE1-CG 4.4Å; Y161-E169 HydrophobicContact CD1-CB 3.81Å; Y161-E169 HydrophobicContact CD1-CG 4.25Å; Y161-E169 HydrophobicContact CD2-CB 4.29Å; Y161-E169 HydrophobicContact CD2-CG 3.94Å; Y161-E169 HydrophobicContact CE1-CB 4.24Å; Y161-E169 HydrophobicContact CE1-CG 4.41Å; Y161-E169 HydrophobicContact CE2-CG 4.11Å; Y161-E169 HydrophobicContact CG-CB 3.85Å; Y161-E169 HydrophobicContact CG-CG 4.04Å |
| 162 | D | 91.8 | Very high | 94 | Very high | 59 Ų | 59 | 38.2 Ų | 38.2 | 32% | 0.316 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.7 | -38.4 | 177.6 | -174.2 | 43.7 | 0 | 0 | 0 | 111.8 | N158 F159 G166 K167 | N158-D162 WeakPolarHBondContact O-CB 3.42Å; N158-D162 PolarHBondContact O-N 3.1Å; F159-D162 PolarHBondContact O-N 3.14Å; D162-G166 WeakPolarHBondContact O-CA 3.4Å; D162-G166 PolarHBondContact O-N 3.21Å; D162-K167 VanDerWaalsContact CA-O 3.3Å; D162-K167 WeakPolarHBondContact CA-O 3.48Å; D162-K167 VanDerWaalsContact OD1-CA 3.22Å; D162-K167 WeakPolarHBondContact OD1-CA 3.31Å; D162-K167 PolarHBondContact OD1-N 3.32Å; D162-K167 VanDerWaalsContact OD1-N 3.08Å |
| 163 | Q | 87.6 | Confident | 94.1 | Very high | 94 Ų | 94 | 41 Ų | 41 | 44% | 0.439 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.7 | -35.9 | 173.8 | -67.6 | -59.8 | -61.6 | 0 | 0 | 113.2 | F77 Q80 F159 L160 Y161 | F77-Q163 HydrophobicContact CE1-CG 4.2Å; Q80-Q163 VanDerWaalsContact NE2-CB 3.31Å; F159-Q163 HydrophobicContact CD2-CG 4.22Å; F159-Q163 HydrophobicContact CE2-CG 3.75Å; F159-Q163 HydrophobicContact CZ-CG 3.95Å; F159-Q163 VanDerWaalsContact O-CG 3.29Å; F159-Q163 WeakPolarHBondContact O-CG 3.26Å; F159-Q163 PolarHBondContact O-N 3.21Å; F159-Q163 VanDerWaalsContact O-N 3.07Å; L160-Q163 PolarHBondContact O-N 3.47Å; Y161-Q163 VanDerWaalsContact C-N 3.3Å; Y161-Q163 PolarHBondContact O-N 2.92Å |
| 164 | L | 90.4 | Very high | 94.1 | Very high | 73 Ų | 73 | 45.2 Ų | 45.2 | 38% | 0.382 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -80.7 | -33.4 | -179.7 | -71.2 | 172.6 | 0 | 0 | 0 | 113.1 | Q80 F84 L160 Y161 | Q80-L164 HydrophobicContact CG-CD2 4.33Å; Q80-L164 HydrophobicContact CG-CG 4.48Å; F84-L164 HydrophobicContact CB-CD1 4.21Å; F84-L164 HydrophobicContact CD1-CD1 3.99Å; F84-L164 HydrophobicContact CD2-CD1 3.71Å; F84-L164 HydrophobicContact CE1-CD1 4.27Å; F84-L164 HydrophobicContact CE2-CD1 4.01Å; F84-L164 HydrophobicContact CG-CD1 3.69Å; F84-L164 HydrophobicContact CZ-CD1 4.27Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.22Å; L160-L164 PolarHBondContact O-N 2.93Å; Y161-L164 PolarHBondContact O-N 3.44Å; Y161-L164 VanDerWaalsContact O-N 3.13Å |
| 165 | H | 92.6 | Very high | 94.1 | Very high | 98 Ų | 98 | 45.2 Ų | 45.2 | 45% | 0.454 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -116.1 | -6.2 | -170.3 | -61.4 | -65.7 | 0 | 0 | 0 | 114.3 | Y161 K167 | Y161-H165 HydrophobicContact CD1-CB 4.21Å; Y161-H165 AromaticContact CD1-CD2 3.77Å; Y161-H165 AromaticContact CD2-CD2 3.5Å; Y161-H165 AromaticContact CD2-NE2 3.97Å; Y161-H165 HydrophobicContact CE1-CB 3.88Å; Y161-H165 AromaticContact CE1-CD2 3.66Å; Y161-H165 AromaticContact CE1-CG 3.99Å; Y161-H165 AromaticContact CE2-CD2 3.39Å; Y161-H165 WeakPolarHBondContact CE2-CD2 3.34Å; Y161-H165 AromaticContact CE2-NE2 3.72Å; Y161-H165 AromaticContact CG-CD2 3.68Å; Y161-H165 AromaticContact CZ-CD2 3.47Å; Y161-H165 VanDerWaalsContact CZ-CD2 3.47Å; Y161-H165 AromaticContact CZ-CG 3.96Å; Y161-H165 WeakPolarHBondContact O-CB 3.43Å; Y161-H165 PolarHBondContact O-CD2 3.14Å; Y161-H165 PolarHBondContact O-N 3.06Å; H165-K167 HydrophobicContact CB-CG 4.38Å; H165-K167 PolarHBondContact O-N 3.49Å |
| 166 | G | 90.9 | Very high | 94.1 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 70% | 0.701 | 24% | 0.241 | S | C | * | . | S | Bend | trans | 68.6 | 15.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D162 | D162-G166 WeakPolarHBondContact O-CA 3.4Å; D162-G166 PolarHBondContact O-N 3.21Å |
| 167 | K | 93.2 | Very high | 94.1 | Very high | 122 Ų | 122 | 50.9 Ų | 50.9 | 53% | 0.53 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -150.8 | 153.8 | 178.9 | 64.5 | 179.2 | -178.7 | 176.7 | 0 | 111.1 | Y161 D162 H165 | Y161-K167 VanDerWaalsContact CD1-O 3.32Å; Y161-K167 WeakPolarHBondContact CD1-O 3.35Å; Y161-K167 HydrophobicContact CE1-CG 4.4Å; D162-K167 VanDerWaalsContact CA-O 3.3Å; D162-K167 WeakPolarHBondContact CA-O 3.48Å; D162-K167 VanDerWaalsContact OD1-CA 3.22Å; D162-K167 WeakPolarHBondContact OD1-CA 3.31Å; D162-K167 PolarHBondContact OD1-N 3.32Å; D162-K167 VanDerWaalsContact OD1-N 3.08Å; H165-K167 HydrophobicContact CB-CG 4.38Å; H165-K167 PolarHBondContact O-N 3.49Å |
| 168 | Q | 92.5 | Very high | 94.1 | Very high | 98 Ų | 98 | 51.1 Ų | 51.1 | 46% | 0.458 | 27% | 0.268 | S | S | . | . | trans | -59.7 | 144.6 | 174.4 | -164.6 | 174.7 | 43.5 | 0 | 0 | 112.2 | N158 Y172 | N158-Q168 WeakPolarHBondContact OD1-CG 3.43Å; Q168-Y172 HydrophobicContact CG-CD1 4.19Å; Q168-Y172 VanDerWaalsContact NE2-CD1 3.31Å | ||
| 169 | E | 95.5 | Very high | 94.2 | Very high | 11 Ų | 11 | 51 Ų | 51 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | trans | -65.4 | 129.9 | 173.5 | -161.7 | -73.7 | 146.2 | 0 | 0 | 109.6 | Y91 F157 N158 Y161 N171 Y172 | Y91-E169 HydrophobicContact CE1-CG 3.96Å; Y91-E169 PolarHBondContact OH-OE2 2.92Å; F157-E169 HydrophobicContact CE1-CG 4.23Å; N158-E169 PolarHBondContact OD1-N 3.49Å; Y161-E169 HydrophobicContact CD1-CB 3.81Å; Y161-E169 HydrophobicContact CD1-CG 4.25Å; Y161-E169 HydrophobicContact CD2-CB 4.29Å; Y161-E169 HydrophobicContact CD2-CG 3.94Å; Y161-E169 HydrophobicContact CE1-CB 4.24Å; Y161-E169 HydrophobicContact CE1-CG 4.41Å; Y161-E169 HydrophobicContact CE2-CG 4.11Å; Y161-E169 HydrophobicContact CG-CB 3.85Å; Y161-E169 HydrophobicContact CG-CG 4.04Å; E169-N171 VanDerWaalsContact C-N 3.34Å; E169-N171 PolarHBondContact O-N 3.37Å; E169-N171 PolarHBondContact OE1-ND2 3.28Å; E169-N171 WeakPolarHBondContact OE2-CA 3.04Å; E169-N171 WeakPolarHBondContact OE2-CB 3.32Å; E169-N171 PolarHBondContact OE2-N 2.77Å; E169-Y172 WeakPolarHBondContact O-CB 3.2Å; E169-Y172 PolarHBondContact O-N 3.31Å; E169-Y172 PolarHBondContact OE2-N 3.06Å | ||
| 170 | P | 96.1 | Very high | 94.3 | Very high | 86 Ų | 86 | 52.4 Ų | 52.4 | 56% | 0.558 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -35.1 | -169.5 | -28.7 | 35 | 0 | 0 | 0 | 116.3 | ||
| 171 | N | 96.7 | Very high | 94.2 | Very high | 39 Ų | 39 | 54.6 Ų | 54.6 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -20.4 | -176.9 | -63.5 | -60.3 | 0 | 0 | 0 | 112.3 | V95 L98 E169 R174 M175 | V95-N171 HydrophobicContact CG2-CB 4.4Å; L98-N171 HydrophobicContact CD2-CB 4.16Å; E169-N171 VanDerWaalsContact C-N 3.34Å; E169-N171 PolarHBondContact O-N 3.37Å; E169-N171 PolarHBondContact OE1-ND2 3.28Å; E169-N171 WeakPolarHBondContact OE2-CA 3.04Å; E169-N171 WeakPolarHBondContact OE2-CB 3.32Å; E169-N171 PolarHBondContact OE2-N 2.77Å; N171-R174 PolarHBondContact O-N 3.09Å; N171-R174 VanDerWaalsContact O-N 3.17Å; N171-M175 HydrophobicContact CB-CE 3.76Å; N171-M175 HydrophobicContact CB-CG 4.42Å; N171-M175 HydrophobicContact CB-SD 4.38Å; N171-M175 WeakPolarHBondContact O-CG 3.31Å; N171-M175 PolarHBondContact O-N 2.93Å |
| 172 | Y | 97.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -49.8 | -48.3 | -176.3 | 173.5 | -101.8 | 0 | 0 | 0 | 114 | P62 Y91 L154 I155 N158 Q168 E169 R174 M175 A176 | P62-Y172 WeakPolarHBondContact CA-OH 3.4Å; P62-Y172 HydrophobicContact CB-CE1 4.36Å; P62-Y172 WeakPolarHBondContact O-CE1 3.02Å; P62-Y172 PolarHBondContact O-OH 2.95Å; Y91-Y172 WeakPolarHBondContact OH-CA 3.38Å; Y91-Y172 WeakPolarHBondContact OH-CB 3.38Å; Y91-Y172 PolarHBondContact OH-N 3Å; L154-Y172 HydrophobicContact CB-CD2 4.2Å; L154-Y172 HydrophobicContact CB-CE2 3.97Å; L154-Y172 WeakPolarHBondContact O-CD2 3.26Å; L154-Y172 WeakPolarHBondContact O-CE2 3.42Å; I155-Y172 HydrophobicContact CB-CE2 4.37Å; I155-Y172 WeakPolarHBondContact CG1-OH 3.48Å; N158-Y172 HydrophobicContact CB-CD1 4.04Å; N158-Y172 HydrophobicContact CB-CD2 3.41Å; N158-Y172 VanDerWaalsContact CB-CD2 3.41Å; N158-Y172 HydrophobicContact CB-CE1 4.34Å; N158-Y172 HydrophobicContact CB-CE2 3.77Å; N158-Y172 HydrophobicContact CB-CG 3.55Å; N158-Y172 VanDerWaalsContact CG-CG 3.48Å; Q168-Y172 HydrophobicContact CG-CD1 4.19Å; Q168-Y172 VanDerWaalsContact NE2-CD1 3.31Å; E169-Y172 WeakPolarHBondContact O-CB 3.2Å; E169-Y172 PolarHBondContact O-N 3.31Å; E169-Y172 PolarHBondContact OE2-N 3.06Å; Y172-R174 VanDerWaalsContact C-N 3.33Å; Y172-R174 PolarHBondContact O-N 2.65Å; Y172-M175 PolarHBondContact O-N 3.09Å; Y172-A176 HydrophobicContact CD2-CB 4.4Å; Y172-A176 HydrophobicContact CE1-CB 4.36Å; Y172-A176 HydrophobicContact CE2-CB 4.05Å; Y172-A176 WeakPolarHBondContact O-CB 3.41Å; Y172-A176 PolarHBondContact O-N 2.86Å |
| 173 | P | 96.1 | Very high | 94.1 | Very high | 60 Ų | 60 | 56.8 Ų | 56.8 | 39% | 0.39 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | -177.8 | -25.1 | 35.8 | 0 | 0 | 0 | 112.8 | E177 | P173-E177 WeakPolarHBondContact O-CB 3.48Å; P173-E177 PolarHBondContact O-N 3.29Å; P173-E177 VanDerWaalsContact O-N 3.08Å |
| 174 | R | 96.5 | Very high | 94.2 | Very high | 90 Ų | 90 | 56.2 Ų | 56.2 | 34% | 0.34 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68 | -46.2 | 179.1 | -65.2 | 178.8 | 64.3 | -164.7 | -2 | 111 | L98 R101 D102 N171 Y172 E177 I178 | L98-R174 HydrophobicContact CD1-CB 4.39Å; L98-R174 HydrophobicContact CD2-CB 4.01Å; R101-R174 VanDerWaalsContact NH1-NH2 3.14Å; D102-R174 IonicContact OD1-CZ 3.04Å; D102-R174 IonicContact OD1-NH2 3.12Å; D102-R174 PolarHBondContact OD1-NH2 2.92Å; D102-R174 IonicContact OD2-CZ 2.81Å; D102-R174 VanDerWaalsContact OD2-CZ 3.25Å; D102-R174 IonicContact OD2-NH1 2.67Å; D102-R174 PolarHBondContact OD2-NH1 3.42Å; D102-R174 IonicContact OD2-NH2 2.69Å; D102-R174 PolarHBondContact OD2-NH2 3.5Å; N171-R174 PolarHBondContact O-N 3.09Å; N171-R174 VanDerWaalsContact O-N 3.17Å; Y172-R174 VanDerWaalsContact C-N 3.33Å; Y172-R174 PolarHBondContact O-N 2.65Å; R174-E177 PolarHBondContact O-N 3Å; R174-I178 WeakPolarHBondContact O-CB 3.46Å; R174-I178 VanDerWaalsContact O-CG1 3.24Å; R174-I178 WeakPolarHBondContact O-CG1 3.17Å; R174-I178 PolarHBondContact O-N 3.42Å |
| 175 | M | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 179.6 | -66.3 | -163 | -65.9 | 0 | 0 | 112.1 | Y91 F94 V95 L98 L154 N171 Y172 I178 F179 | Y91-M175 HydrophobicContact CD1-CE 4.2Å; Y91-M175 HydrophobicContact CD2-CE 4.4Å; Y91-M175 HydrophobicContact CE1-CE 3.41Å; Y91-M175 VanDerWaalsContact CE1-CE 3.41Å; Y91-M175 HydrophobicContact CE2-CE 3.65Å; Y91-M175 WeakPolarHBondContact OH-CE 3.28Å; F94-M175 HydrophobicContact CB-SD 3.56Å; F94-M175 VanDerWaalsContact CB-SD 3.56Å; V95-M175 HydrophobicContact CG2-CE 3.82Å; V95-M175 HydrophobicContact CG2-SD 4.01Å; L98-M175 HydrophobicContact CD2-CG 4Å; L154-M175 HydrophobicContact CD1-CB 4.34Å; L154-M175 HydrophobicContact CD2-CB 4.05Å; L154-M175 HydrophobicContact CD2-CE 4.06Å; L154-M175 HydrophobicContact CD2-SD 4.4Å; N171-M175 HydrophobicContact CB-CE 3.76Å; N171-M175 HydrophobicContact CB-CG 4.42Å; N171-M175 HydrophobicContact CB-SD 4.38Å; N171-M175 WeakPolarHBondContact O-CG 3.31Å; N171-M175 PolarHBondContact O-N 2.93Å; Y172-M175 PolarHBondContact O-N 3.09Å; M175-I178 PolarHBondContact O-N 3.48Å; M175-F179 HydrophobicContact CB-CD2 3.69Å; M175-F179 HydrophobicContact CB-CE2 3.91Å; M175-F179 HydrophobicContact CG-CD2 3.86Å; M175-F179 HydrophobicContact CG-CE2 3.52Å; M175-F179 HydrophobicContact CG-CZ 4.46Å; M175-F179 VanDerWaalsContact O-CB 3.29Å; M175-F179 WeakPolarHBondContact O-CB 3.19Å; M175-F179 PolarHBondContact O-N 3.3Å; M175-F179 HydrophobicContact SD-CD2 4.25Å; M175-F179 HydrophobicContact SD-CE2 3.8Å |
| 176 | A | 96.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | F61 P62 Y172 T180 | F61-A176 HydrophobicContact CE1-CB 4.33Å; F61-A176 HydrophobicContact CE2-CB 4.44Å; F61-A176 HydrophobicContact CZ-CB 3.68Å; P62-A176 HydrophobicContact CB-CB 3.79Å; Y172-A176 HydrophobicContact CD2-CB 4.4Å; Y172-A176 HydrophobicContact CE1-CB 4.36Å; Y172-A176 HydrophobicContact CE2-CB 4.05Å; Y172-A176 WeakPolarHBondContact O-CB 3.41Å; Y172-A176 PolarHBondContact O-N 2.86Å; A176-T180 WeakPolarHBondContact O-CG2 3.32Å; A176-T180 PolarHBondContact O-OG1 3.49Å |
| 177 | E | 95 | Very high | 94.7 | Very high | 116 Ų | 116 | 45.9 Ų | 45.9 | 54% | 0.542 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.7 | -45.5 | 174.8 | -167.5 | -156.8 | 135.3 | 0 | 0 | 112 | P173 R174 R189 | P173-E177 WeakPolarHBondContact O-CB 3.48Å; P173-E177 PolarHBondContact O-N 3.29Å; P173-E177 VanDerWaalsContact O-N 3.08Å; R174-E177 PolarHBondContact O-N 3Å; E177-R189 IonicContact OE1-CZ 3.94Å; E177-R189 IonicContact OE1-NH1 3.43Å; E177-R189 PolarHBondContact OE1-NH1 3.19Å; E177-R189 IonicContact OE1-NH2 3.36Å; E177-R189 PolarHBondContact OE1-NH2 3.01Å |
| 178 | I | 96.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -86.8 | -51.7 | -169.8 | -60.6 | 167.7 | 0 | 0 | 0 | 111.9 | L98 M141 R174 M175 T180 E181 M186 | L98-I178 HydrophobicContact CD1-CD1 4.15Å; M141-I178 HydrophobicContact CE-CG2 3.65Å; R174-I178 WeakPolarHBondContact O-CB 3.46Å; R174-I178 VanDerWaalsContact O-CG1 3.24Å; R174-I178 WeakPolarHBondContact O-CG1 3.17Å; R174-I178 PolarHBondContact O-N 3.42Å; M175-I178 PolarHBondContact O-N 3.48Å; I178-T180 PolarHBondContact O-N 3.37Å; I178-E181 WeakPolarHBondContact O-CG 3.45Å; I178-M186 VanDerWaalsContact O-CE 3.23Å; I178-M186 WeakPolarHBondContact O-CE 3.09Å |
| 179 | F | 96.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 1.1 | -167.5 | -58.7 | -27.2 | 0 | 0 | 0 | 114.3 | F94 V97 L98 M141 I144 T150 L154 M175 | F94-F179 HydrophobicContact CB-CD2 3.97Å; F94-F179 HydrophobicContact CB-CE2 3.85Å; F94-F179 AromaticContact CD1-CD2 3.94Å; F94-F179 HydrophobicContact CD1-CD2 3.94Å; F94-F179 HydrophobicContact CD1-CE2 4.35Å; F94-F179 HydrophobicContact CG-CD2 4.27Å; F94-F179 WeakPolarHBondContact O-CE2 3.33Å; V97-F179 HydrophobicContact CB-CE1 4.48Å; V97-F179 HydrophobicContact CB-CE2 4.39Å; V97-F179 HydrophobicContact CB-CZ 3.83Å; V97-F179 HydrophobicContact CG1-CE1 3.62Å; V97-F179 HydrophobicContact CG1-CE2 4.37Å; V97-F179 HydrophobicContact CG1-CZ 3.42Å; V97-F179 VanDerWaalsContact CG1-CZ 3.42Å; L98-F179 HydrophobicContact CB-CZ 4.28Å; L98-F179 HydrophobicContact CD1-CZ 4.48Å; M141-F179 HydrophobicContact CE-CD1 4.45Å; M141-F179 HydrophobicContact CE-CE1 3.98Å; M141-F179 HydrophobicContact SD-CE1 4.21Å; I144-F179 HydrophobicContact CD1-CD1 3.8Å; I144-F179 HydrophobicContact CD1-CE1 3.85Å; I144-F179 HydrophobicContact CD1-CG 4.36Å; I144-F179 HydrophobicContact CD1-CZ 4.42Å; I144-F179 HydrophobicContact CG2-CB 3.69Å; I144-F179 HydrophobicContact CG2-CD1 4.14Å; I144-F179 HydrophobicContact CG2-CG 4.05Å; T150-F179 HydrophobicContact CG2-CB 4.21Å; L154-F179 HydrophobicContact CD1-CB 4.44Å; M175-F179 HydrophobicContact CB-CD2 3.69Å; M175-F179 HydrophobicContact CB-CE2 3.91Å; M175-F179 HydrophobicContact CG-CD2 3.86Å; M175-F179 HydrophobicContact CG-CE2 3.52Å; M175-F179 HydrophobicContact CG-CZ 4.46Å; M175-F179 VanDerWaalsContact O-CB 3.29Å; M175-F179 WeakPolarHBondContact O-CB 3.19Å; M175-F179 PolarHBondContact O-N 3.3Å; M175-F179 HydrophobicContact SD-CD2 4.25Å; M175-F179 HydrophobicContact SD-CE2 3.8Å |
| 180 | T | 93.9 | Very high | 95.1 | Very high | 30 Ų | 30 | 39.6 Ų | 39.6 | 18% | 0.184 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 8 | -179.8 | 78.2 | 0 | 0 | 0 | 0 | 113.9 | F61 K151 L154 A176 I178 | F61-T180 HydrophobicContact CE1-CG2 3.85Å; F61-T180 WeakPolarHBondContact CE1-OG1 3.42Å; F61-T180 HydrophobicContact CZ-CG2 3.55Å; K151-T180 HydrophobicContact CG-CG2 3.62Å; L154-T180 HydrophobicContact CD1-CG2 3.94Å; A176-T180 WeakPolarHBondContact O-CG2 3.32Å; A176-T180 PolarHBondContact O-OG1 3.49Å; I178-T180 PolarHBondContact O-N 3.37Å |
| 181 | E | 92.6 | Very high | 95.1 | Very high | 47 Ų | 47 | 36.6 Ų | 36.6 | 22% | 0.22 | 19% | 0.194 | C | C | . | . | trans | -64.8 | 151.4 | 171.1 | -66.8 | -169.4 | 156 | 0 | 0 | 111.9 | I178 G185 M186 R189 | I178-E181 WeakPolarHBondContact O-CG 3.45Å; E181-G185 VanDerWaalsContact OE2-C 3.26Å; E181-M186 HydrophobicContact CB-CB 4.42Å; E181-M186 HydrophobicContact CB-CE 4.46Å; E181-M186 VanDerWaalsContact OE2-CA 3.28Å; E181-M186 WeakPolarHBondContact OE2-CA 3.3Å; E181-M186 PolarHBondContact OE2-N 3.32Å; E181-R189 IonicContact OE1-CZ 3.47Å; E181-R189 IonicContact OE1-NE 3.63Å; E181-R189 PolarHBondContact OE1-NE 3.11Å; E181-R189 IonicContact OE1-NH2 2.64Å; E181-R189 PolarHBondContact OE1-NH2 2.96Å; E181-R189 WeakPolarHBondContact OE2-CB 3.38Å; E181-R189 IonicContact OE2-NE 3.53Å; E181-R189 PolarHBondContact OE2-NE 3.48Å; E181-R189 VanDerWaalsContact OE2-NE 3.1Å | ||
| 182 | T | 92.2 | Very high | 95.1 | Very high | 95 Ų | 95 | 42.3 Ų | 42.3 | 58% | 0.583 | 22% | 0.216 | S | C | * | . | trans | -67.7 | 165.1 | 167.8 | 60.6 | 0 | 0 | 0 | 0 | 110.1 | E184 G185 M186 | T182-E184 PolarHBondContact O-N 3.42Å; T182-G185 PolarHBondContact O-N 3.46Å; T182-G185 PolarHBondContact OG1-N 3.25Å; T182-M186 WeakPolarHBondContact O-CB 3.45Å; T182-M186 PolarHBondContact O-N 2.87Å | ||
| 183 | S | 90.6 | Very high | 95.1 | Very high | 51 Ų | 51 | 43.7 Ų | 43.7 | 36% | 0.357 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -54.6 | -38.7 | 175.6 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | L187 | S183-L187 WeakPolarHBondContact O-CB 3.36Å; S183-L187 PolarHBondContact O-N 2.96Å; S183-L187 VanDerWaalsContact O-N 3.1Å |
| 184 | E | 89.4 | Confident | 95.2 | Very high | 83 Ų | 83 | 41 Ų | 41 | 39% | 0.388 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -72.5 | -37.7 | 176.4 | -63.9 | -177.6 | 162.7 | 0 | 0 | 112.4 | T182 L187 N188 S306 | T182-E184 PolarHBondContact O-N 3.42Å; E184-L187 PolarHBondContact O-N 2.65Å; E184-N188 PolarHBondContact O-N 3Å; E184-N188 VanDerWaalsContact O-N 3.07Å; E184-N188 PolarHBondContact O-ND2 3.43Å; E184-S306 PolarHBondContact OE1-OG 3.49Å |
| 185 | G | 93.3 | Very high | 95.2 | Very high | 21 Ų | 21 | 39 Ų | 39 | 22% | 0.216 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -49.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E181 T182 L187 N188 R189 | E181-G185 VanDerWaalsContact OE2-C 3.26Å; T182-G185 PolarHBondContact O-N 3.46Å; T182-G185 PolarHBondContact OG1-N 3.25Å; G185-L187 VanDerWaalsContact C-N 3.28Å; G185-L187 PolarHBondContact O-N 3.41Å; G185-N188 WeakPolarHBondContact O-CB 3.25Å; G185-N188 PolarHBondContact O-N 3.4Å; G185-N188 VanDerWaalsContact O-N 3.13Å; G185-R189 PolarHBondContact O-N 2.83Å |
| 186 | M | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57 | -43.5 | 176.8 | -175.6 | 62.2 | 69.3 | 0 | 0 | 111 | M141 T145 I178 E181 T182 N188 R189 L190 | M141-M186 HydrophobicContact CB-SD 4.18Å; M141-M186 HydrophobicContact CE-CE 4.46Å; M141-M186 HydrophobicContact CE-SD 3.94Å; T145-M186 HydrophobicContact CG2-CB 3.68Å; T145-M186 HydrophobicContact CG2-CE 4.13Å; T145-M186 HydrophobicContact CG2-CG 3.81Å; I178-M186 VanDerWaalsContact O-CE 3.23Å; I178-M186 WeakPolarHBondContact O-CE 3.09Å; E181-M186 HydrophobicContact CB-CB 4.42Å; E181-M186 HydrophobicContact CB-CE 4.46Å; E181-M186 VanDerWaalsContact OE2-CA 3.28Å; E181-M186 WeakPolarHBondContact OE2-CA 3.3Å; E181-M186 PolarHBondContact OE2-N 3.32Å; T182-M186 WeakPolarHBondContact O-CB 3.45Å; T182-M186 PolarHBondContact O-N 2.87Å; M186-N188 PolarHBondContact O-N 3.45Å; M186-R189 PolarHBondContact O-N 3.24Å; M186-L190 HydrophobicContact CG-CD1 4.09Å; M186-L190 HydrophobicContact CG-CG 4.46Å; M186-L190 VanDerWaalsContact O-CG 3.27Å; M186-L190 WeakPolarHBondContact O-CG 3.15Å; M186-L190 PolarHBondContact O-N 3.4Å; M186-L190 HydrophobicContact SD-CG 4.42Å |
| 187 | L | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 178.6 | -173.2 | 55.8 | 0 | 0 | 0 | 112.7 | F138 S183 E184 G185 R189 L190 H191 L265 L303 F307 | F138-L187 HydrophobicContact CE2-CD1 3.78Å; S183-L187 WeakPolarHBondContact O-CB 3.36Å; S183-L187 PolarHBondContact O-N 2.96Å; S183-L187 VanDerWaalsContact O-N 3.1Å; E184-L187 PolarHBondContact O-N 2.65Å; G185-L187 VanDerWaalsContact C-N 3.28Å; G185-L187 PolarHBondContact O-N 3.41Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 3.23Å; L187-L190 PolarHBondContact O-N 2.96Å; L187-H191 WeakPolarHBondContact O-CB 3.43Å; L187-H191 PolarHBondContact O-N 2.98Å; L187-L265 HydrophobicContact CD1-CD2 3.55Å; L187-L265 HydrophobicContact CD1-CG 3.83Å; L187-L265 HydrophobicContact CD2-CD1 4.18Å; L187-L265 HydrophobicContact CD2-CD2 3.88Å; L187-L265 HydrophobicContact CD2-CG 4.11Å; L187-L265 HydrophobicContact CG-CD2 4.36Å; L187-L265 HydrophobicContact CG-CG 4.48Å; L187-L303 HydrophobicContact CD2-CD1 4.25Å; L187-L303 HydrophobicContact CD2-CG 4.39Å; L187-F307 HydrophobicContact CB-CD2 4.38Å; L187-F307 HydrophobicContact CB-CE2 4.33Å; L187-F307 HydrophobicContact CD2-CB 3.76Å; L187-F307 HydrophobicContact CD2-CD1 3.78Å; L187-F307 HydrophobicContact CD2-CD2 3.47Å; L187-F307 VanDerWaalsContact CD2-CD2 3.47Å; L187-F307 HydrophobicContact CD2-CE1 4.21Å; L187-F307 HydrophobicContact CD2-CE2 3.92Å; L187-F307 HydrophobicContact CD2-CG 3.38Å; L187-F307 HydrophobicContact CD2-CZ 4.27Å; L187-F307 HydrophobicContact CG-CD1 4.39Å; L187-F307 HydrophobicContact CG-CD2 3.83Å; L187-F307 HydrophobicContact CG-CE1 4.33Å; L187-F307 HydrophobicContact CG-CE2 3.75Å; L187-F307 HydrophobicContact CG-CG 4.15Å; L187-F307 HydrophobicContact CG-CZ 4.02Å |
| 188 | N | 95.3 | Very high | 95.3 | Very high | 53 Ų | 53 | 41.3 Ų | 41.3 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 174.5 | -82.6 | -58.2 | 0 | 0 | 0 | 112.3 | E184 G185 M186 K192 F307 | E184-N188 PolarHBondContact O-N 3Å; E184-N188 VanDerWaalsContact O-N 3.07Å; E184-N188 PolarHBondContact O-ND2 3.43Å; G185-N188 WeakPolarHBondContact O-CB 3.25Å; G185-N188 PolarHBondContact O-N 3.4Å; G185-N188 VanDerWaalsContact O-N 3.13Å; M186-N188 PolarHBondContact O-N 3.45Å; N188-K192 WeakPolarHBondContact O-CG 3.42Å; N188-K192 PolarHBondContact O-N 3.48Å; N188-K192 VanDerWaalsContact O-N 3.11Å; N188-F307 WeakPolarHBondContact OD1-CE2 3.35Å |
| 189 | R | 95.8 | Very high | 95.2 | Very high | 46 Ų | 46 | 51.1 Ų | 51.1 | 17% | 0.174 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64 | -50.7 | 175.8 | -179.4 | 176.4 | -66.1 | -97.7 | 5.2 | 111.1 | E177 E181 G185 M186 L187 H191 K192 E193 | E177-R189 IonicContact OE1-CZ 3.94Å; E177-R189 IonicContact OE1-NH1 3.43Å; E177-R189 PolarHBondContact OE1-NH1 3.19Å; E177-R189 IonicContact OE1-NH2 3.36Å; E177-R189 PolarHBondContact OE1-NH2 3.01Å; E181-R189 IonicContact OE1-CZ 3.47Å; E181-R189 IonicContact OE1-NE 3.63Å; E181-R189 PolarHBondContact OE1-NE 3.11Å; E181-R189 IonicContact OE1-NH2 2.64Å; E181-R189 PolarHBondContact OE1-NH2 2.96Å; E181-R189 WeakPolarHBondContact OE2-CB 3.38Å; E181-R189 IonicContact OE2-NE 3.53Å; E181-R189 PolarHBondContact OE2-NE 3.48Å; E181-R189 VanDerWaalsContact OE2-NE 3.1Å; G185-R189 PolarHBondContact O-N 2.83Å; M186-R189 PolarHBondContact O-N 3.24Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 3.23Å; R189-H191 VanDerWaalsContact C-N 3.3Å; R189-H191 PolarHBondContact O-N 3.32Å; R189-K192 WeakPolarHBondContact O-CB 3.36Å; R189-K192 PolarHBondContact O-N 3.13Å; R189-E193 WeakPolarHBondContact O-CG 3.32Å; R189-E193 PolarHBondContact O-N 2.86Å |
| 190 | L | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 178.9 | -67.1 | 171.1 | 0 | 0 | 0 | 111.9 | Y137 F138 M141 M186 L187 K192 E193 I194 L266 | Y137-L190 HydrophobicContact CD1-CD2 4.14Å; Y137-L190 HydrophobicContact CE1-CD2 3.42Å; Y137-L190 VanDerWaalsContact CE1-CD2 3.42Å; F138-L190 HydrophobicContact CD2-CD1 3.98Å; F138-L190 HydrophobicContact CE2-CD1 4.35Å; M141-L190 HydrophobicContact CB-CD1 4.06Å; M141-L190 HydrophobicContact CB-CD2 3.75Å; M141-L190 HydrophobicContact CB-CG 4.41Å; M141-L190 HydrophobicContact CG-CD2 3.88Å; M186-L190 HydrophobicContact CG-CD1 4.09Å; M186-L190 HydrophobicContact CG-CG 4.46Å; M186-L190 VanDerWaalsContact O-CG 3.27Å; M186-L190 WeakPolarHBondContact O-CG 3.15Å; M186-L190 PolarHBondContact O-N 3.4Å; M186-L190 HydrophobicContact SD-CG 4.42Å; L187-L190 PolarHBondContact O-N 2.96Å; L190-K192 PolarHBondContact O-N 3.27Å; L190-E193 PolarHBondContact O-N 3.43Å; L190-I194 WeakPolarHBondContact O-CB 3.31Å; L190-I194 WeakPolarHBondContact O-CG1 3.37Å; L190-I194 PolarHBondContact O-N 3.32Å; L190-L266 HydrophobicContact CB-CD2 3.48Å; L190-L266 VanDerWaalsContact CB-CD2 3.48Å |
| 191 | H | 97.1 | Very high | 95.3 | Very high | 23 Ų | 23 | 50.3 Ų | 50.3 | 11% | 0.106 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.7 | -48.7 | 172.2 | 170.9 | 61.3 | 0 | 0 | 0 | 111.7 | L187 R189 E193 I194 N195 L266 Y268 | L187-H191 WeakPolarHBondContact O-CB 3.43Å; L187-H191 PolarHBondContact O-N 2.98Å; R189-H191 VanDerWaalsContact C-N 3.3Å; R189-H191 PolarHBondContact O-N 3.32Å; H191-E193 VanDerWaalsContact C-N 3.27Å; H191-E193 PolarHBondContact O-N 2.68Å; H191-I194 PolarHBondContact O-N 2.86Å; H191-N195 WeakPolarHBondContact O-CB 3.42Å; H191-N195 PolarHBondContact O-N 3.42Å; H191-L266 PolarHBondContact ND1-O 2.91Å; H191-Y268 AromaticContact CD2-CE1 3.78Å; H191-Y268 AromaticContact CE1-CD1 3.75Å; H191-Y268 AromaticContact CE1-CE1 3.43Å; H191-Y268 VanDerWaalsContact CE1-CE1 3.43Å; H191-Y268 WeakPolarHBondContact CE1-CE1 3.33Å; H191-Y268 AromaticContact CG-CE1 3.98Å; H191-Y268 AromaticContact ND1-CD1 3.79Å; H191-Y268 AromaticContact ND1-CE1 3.77Å; H191-Y268 AromaticContact NE2-CE1 3.42Å; H191-Y268 WeakPolarHBondContact NE2-CE1 3.4Å |
| 192 | K | 96.4 | Very high | 95.6 | Very high | 159 Ų | 159 | 48.2 Ų | 48.2 | 69% | 0.691 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.3 | -35.3 | 178.6 | -72.1 | 172.7 | -177.4 | 176.4 | 0 | 112.8 | N188 R189 L190 P196 | N188-K192 WeakPolarHBondContact O-CG 3.42Å; N188-K192 PolarHBondContact O-N 3.48Å; N188-K192 VanDerWaalsContact O-N 3.11Å; R189-K192 WeakPolarHBondContact O-CB 3.36Å; R189-K192 PolarHBondContact O-N 3.13Å; L190-K192 PolarHBondContact O-N 3.27Å; K192-P196 WeakPolarHBondContact O-CD 3.36Å |
| 193 | E | 96.7 | Very high | 95.8 | Very high | 31 Ų | 31 | 49.5 Ų | 49.5 | 15% | 0.145 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.2 | -37.8 | 179.4 | -71.3 | 176.5 | 157.9 | 0 | 0 | 112.6 | R101 Y137 R189 L190 H191 Y197 | R101-E193 IonicContact CZ-OE1 3.87Å; R101-E193 IonicContact NE-OE1 3.5Å; R101-E193 PolarHBondContact NE-OE1 3.44Å; R101-E193 VanDerWaalsContact NE-OE1 3.14Å; R101-E193 IonicContact NH2-OE1 2.83Å; R101-E193 PolarHBondContact NH2-OE1 2.91Å; Y137-E193 PolarHBondContact OH-OE2 3.46Å; R189-E193 WeakPolarHBondContact O-CG 3.32Å; R189-E193 PolarHBondContact O-N 2.86Å; L190-E193 PolarHBondContact O-N 3.43Å; H191-E193 VanDerWaalsContact C-N 3.27Å; H191-E193 PolarHBondContact O-N 2.68Å; E193-Y197 WeakPolarHBondContact O-CE2 3.32Å |
| 194 | I | 98.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -95 | -31.9 | -172.6 | -59.7 | -62.9 | 0 | 0 | 0 | 113.4 | F104 I108 Y137 L190 H191 P196 Y197 L201 L266 I267 | F104-I194 HydrophobicContact CE1-CD1 3.51Å; F104-I194 HydrophobicContact CZ-CD1 3.64Å; I108-I194 HydrophobicContact CD1-CD1 3.82Å; Y137-I194 HydrophobicContact CD1-CD1 4.38Å; Y137-I194 HydrophobicContact CE1-CD1 4.41Å; L190-I194 WeakPolarHBondContact O-CB 3.31Å; L190-I194 WeakPolarHBondContact O-CG1 3.37Å; L190-I194 PolarHBondContact O-N 3.32Å; H191-I194 PolarHBondContact O-N 2.86Å; I194-P196 VanDerWaalsContact C-N 3.3Å; I194-Y197 WeakPolarHBondContact O-CA 3.47Å; I194-Y197 WeakPolarHBondContact O-CB 3.27Å; I194-Y197 PolarHBondContact O-N 2.89Å; I194-L201 HydrophobicContact CG2-CD2 3.9Å; I194-L266 HydrophobicContact CB-CB 4.18Å; I194-L266 HydrophobicContact CG1-CD1 4.16Å; I194-L266 HydrophobicContact CG1-CD2 4.18Å; I194-L266 HydrophobicContact CG2-CB 4Å; I194-L266 HydrophobicContact CG2-CD1 4.34Å; I194-I267 HydrophobicContact CG2-CG2 4.23Å |
| 195 | N | 96.9 | Very high | 96.5 | Very high | 49 Ų | 49 | 43.1 Ų | 43.1 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -56.4 | -30.8 | -175.5 | -167.9 | 63.8 | 0 | 0 | 0 | 115.5 | H191 Y197 S198 | H191-N195 WeakPolarHBondContact O-CB 3.42Å; H191-N195 PolarHBondContact O-N 3.42Å; N195-Y197 PolarHBondContact O-N 3.45Å; N195-Y197 VanDerWaalsContact O-N 3.13Å; N195-S198 WeakPolarHBondContact O-CB 3.39Å; N195-S198 PolarHBondContact O-N 2.91Å; N195-S198 PolarHBondContact O-OG 2.91Å |
| 196 | P | 96.9 | Very high | 96.7 | Very high | 94 Ų | 94 | 47.5 Ų | 47.5 | 61% | 0.61 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -56.1 | -24.6 | 169.9 | -27.2 | 36.9 | 0 | 0 | 0 | 114.2 | K192 I194 | K192-P196 WeakPolarHBondContact O-CD 3.36Å; I194-P196 VanDerWaalsContact C-N 3.3Å |
| 197 | Y | 96.6 | Very high | 96.7 | Very high | 50 Ų | 50 | 48.4 Ų | 48.4 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -102.7 | 13.7 | -179.8 | -44.4 | -61.8 | 0 | 0 | 0 | 113 | I108 A112 E193 I194 N195 R199 T200 L201 | I108-Y197 HydrophobicContact CB-CD2 4.46Å; I108-Y197 HydrophobicContact CD1-CD2 3.51Å; I108-Y197 HydrophobicContact CD1-CE2 3.36Å; I108-Y197 HydrophobicContact CG1-CD2 3.82Å; I108-Y197 HydrophobicContact CG1-CE2 3.54Å; I108-Y197 HydrophobicContact CG1-CG 4.49Å; A112-Y197 HydrophobicContact CB-CD1 3.44Å; A112-Y197 VanDerWaalsContact CB-CD1 3.44Å; A112-Y197 HydrophobicContact CB-CE1 4.03Å; A112-Y197 HydrophobicContact CB-CG 4.38Å; E193-Y197 WeakPolarHBondContact O-CE2 3.32Å; I194-Y197 WeakPolarHBondContact O-CA 3.47Å; I194-Y197 WeakPolarHBondContact O-CB 3.27Å; I194-Y197 PolarHBondContact O-N 2.89Å; N195-Y197 PolarHBondContact O-N 3.45Å; N195-Y197 VanDerWaalsContact O-N 3.13Å; Y197-R199 VanDerWaalsContact C-N 3.27Å; Y197-R199 PolarHBondContact O-N 2.91Å; Y197-T200 PolarHBondContact O-N 3.19Å; Y197-T200 VanDerWaalsContact O-N 3.13Å; Y197-L201 PolarHBondContact O-N 3.07Å |
| 198 | S | 96.7 | Very high | 96.7 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.2 | -36.1 | -175.4 | 49 | 0 | 0 | 0 | 0 | 114.5 | N195 T200 L201 S202 | N195-S198 WeakPolarHBondContact O-CB 3.39Å; N195-S198 PolarHBondContact O-N 2.91Å; N195-S198 PolarHBondContact O-OG 2.91Å; S198-T200 PolarHBondContact O-N 3.27Å; S198-L201 PolarHBondContact O-N 2.96Å; S198-S202 WeakPolarHBondContact O-CB 3.49Å; S198-S202 PolarHBondContact O-N 2.78Å |
| 199 | R | 95.1 | Very high | 96.6 | Very high | 213 Ų | 213 | 48.5 Ų | 48.5 | 80% | 0.804 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61 | -46.4 | 177.9 | -173.6 | -179.1 | -67.5 | 157.2 | -0.5 | 112.3 | Y197 R203 | Y197-R199 VanDerWaalsContact C-N 3.27Å; Y197-R199 PolarHBondContact O-N 2.91Å; R199-R203 WeakPolarHBondContact O-CB 3.27Å; R199-R203 PolarHBondContact O-N 2.94Å; R199-R203 VanDerWaalsContact O-N 3.1Å |
| 200 | T | 95.9 | Very high | 96.3 | Very high | 16 Ų | 16 | 51 Ų | 51 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -47.2 | -179.9 | -53.5 | 0 | 0 | 0 | 0 | 110.4 | I116 P118 Y130 Y197 S198 R203 A204 | I116-T200 HydrophobicContact CG2-CG2 3.87Å; P118-T200 HydrophobicContact CG-CG2 3.91Å; P118-T200 WeakPolarHBondContact CG-O 3.47Å; Y130-T200 HydrophobicContact CE1-CG2 4.25Å; Y197-T200 PolarHBondContact O-N 3.19Å; Y197-T200 VanDerWaalsContact O-N 3.13Å; S198-T200 PolarHBondContact O-N 3.27Å; T200-R203 PolarHBondContact O-N 3.45Å; T200-A204 PolarHBondContact O-N 3.39Å |
| 201 | L | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 178.6 | -177.5 | 56.5 | 0 | 0 | 0 | 112.4 | Y130 L131 V134 I194 Y197 S198 R203 A204 L205 I267 | Y130-L201 HydrophobicContact CE1-CD1 4.12Å; L131-L201 HydrophobicContact CD2-CD1 3.91Å; V134-L201 HydrophobicContact CG1-CD1 4.3Å; V134-L201 HydrophobicContact CG1-CD2 4.16Å; I194-L201 HydrophobicContact CG2-CD2 3.9Å; Y197-L201 PolarHBondContact O-N 3.07Å; S198-L201 PolarHBondContact O-N 2.96Å; L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 2.86Å; L201-A204 PolarHBondContact O-N 3.21Å; L201-L205 HydrophobicContact CD1-CD1 4.3Å; L201-L205 HydrophobicContact CD1-CG 4.22Å; L201-L205 HydrophobicContact CG-CD1 4.13Å; L201-L205 HydrophobicContact CG-CG 4.49Å; L201-L205 WeakPolarHBondContact O-CG 3.36Å; L201-L205 PolarHBondContact O-N 3.14Å; L201-I267 HydrophobicContact CB-CD1 4.2Å; L201-I267 HydrophobicContact CD2-CD1 4.16Å; L201-I267 HydrophobicContact CD2-CG1 4.15Å; L201-I267 HydrophobicContact CD2-CG2 3.93Å; L201-I267 HydrophobicContact CG-CD1 3.99Å; L201-I267 HydrophobicContact CG-CG1 4.5Å |
| 202 | S | 97.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62 | -35.9 | 177.5 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | S198 R206 | S198-S202 WeakPolarHBondContact O-CB 3.49Å; S198-S202 PolarHBondContact O-N 2.78Å; S202-R206 WeakPolarHBondContact O-CB 3.45Å; S202-R206 WeakPolarHBondContact O-CD 3.24Å; S202-R206 WeakPolarHBondContact O-CG 3.44Å; S202-R206 PolarHBondContact O-N 3.27Å; S202-R206 PolarHBondContact OG-NE 3.34Å; S202-R206 VanDerWaalsContact OG-NE 3.12Å; S202-R206 PolarHBondContact OG-NH2 3.27Å |
| 203 | R | 96.1 | Very high | 95.6 | Very high | 122 Ų | 122 | 45.4 Ų | 45.4 | 46% | 0.46 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.4 | -45.6 | 176.7 | -169.7 | -178 | 173 | 138.3 | 0.9 | 111.1 | P118 R199 T200 L201 L205 R206 S207 | P118-R203 HydrophobicContact CG-CB 4.28Å; P118-R203 WeakPolarHBondContact O-CG 3.39Å; R199-R203 WeakPolarHBondContact O-CB 3.27Å; R199-R203 PolarHBondContact O-N 2.94Å; R199-R203 VanDerWaalsContact O-N 3.1Å; T200-R203 PolarHBondContact O-N 3.45Å; L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 2.86Å; R203-L205 PolarHBondContact O-N 3.06Å; R203-R206 PolarHBondContact O-N 3.36Å; R203-S207 PolarHBondContact O-N 3Å |
| 204 | A | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.1 | -48.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P118 T127 Y130 L131 T200 L201 R206 S207 | P118-A204 HydrophobicContact CB-CB 3.82Å; P118-A204 HydrophobicContact CG-CB 3.82Å; T127-A204 HydrophobicContact CG2-CB 4.07Å; Y130-A204 HydrophobicContact CD1-CB 4.08Å; Y130-A204 HydrophobicContact CE1-CB 4.07Å; L131-A204 HydrophobicContact CD1-CB 4.35Å; L131-A204 HydrophobicContact CD2-CB 3.72Å; L131-A204 HydrophobicContact CG-CB 4.03Å; T200-A204 PolarHBondContact O-N 3.39Å; L201-A204 PolarHBondContact O-N 3.21Å; A204-R206 PolarHBondContact O-N 2.95Å; A204-S207 PolarHBondContact O-N 3.41Å; A204-S207 PolarHBondContact O-OG 3.49Å |
| 205 | L | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.2 | -37.2 | 178.3 | -67 | 174.6 | 0 | 0 | 0 | 113.3 | L131 L201 R203 S207 L208 W259 Y264 I267 | L131-L205 HydrophobicContact CD2-CD2 3.72Å; L131-L205 HydrophobicContact CD2-CG 4.19Å; L201-L205 HydrophobicContact CD1-CD1 4.3Å; L201-L205 HydrophobicContact CD1-CG 4.22Å; L201-L205 HydrophobicContact CG-CD1 4.13Å; L201-L205 HydrophobicContact CG-CG 4.49Å; L201-L205 WeakPolarHBondContact O-CG 3.36Å; L201-L205 PolarHBondContact O-N 3.14Å; R203-L205 PolarHBondContact O-N 3.06Å; L205-S207 VanDerWaalsContact C-N 3.28Å; L205-S207 PolarHBondContact O-N 3.22Å; L205-L208 HydrophobicContact CD2-CD1 4.29Å; L205-L208 PolarHBondContact O-N 3.28Å; L205-W259 HydrophobicContact CD2-CB 4.31Å; L205-W259 WeakPolarHBondContact CD2-O 3.45Å; L205-Y264 HydrophobicContact CB-CE2 4.31Å; L205-Y264 HydrophobicContact CD1-CD1 4.11Å; L205-Y264 HydrophobicContact CD1-CD2 4.15Å; L205-Y264 HydrophobicContact CD1-CE1 3.98Å; L205-Y264 HydrophobicContact CD1-CE2 4.05Å; L205-Y264 HydrophobicContact CD1-CG 4.17Å; L205-I267 HydrophobicContact CD1-CD1 4.28Å |
| 206 | R | 97.1 | Very high | 94.7 | Very high | 112 Ų | 112 | 47.3 Ų | 47.3 | 42% | 0.423 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61 | -37.3 | 176.6 | -80.3 | 168.7 | -167 | -168.4 | 10.4 | 111.9 | S202 R203 A204 L208 N209 E270 R279 | S202-R206 WeakPolarHBondContact O-CB 3.45Å; S202-R206 WeakPolarHBondContact O-CD 3.24Å; S202-R206 WeakPolarHBondContact O-CG 3.44Å; S202-R206 PolarHBondContact O-N 3.27Å; S202-R206 PolarHBondContact OG-NE 3.34Å; S202-R206 VanDerWaalsContact OG-NE 3.12Å; S202-R206 PolarHBondContact OG-NH2 3.27Å; R203-R206 PolarHBondContact O-N 3.36Å; A204-R206 PolarHBondContact O-N 2.95Å; R206-L208 PolarHBondContact O-N 3.39Å; R206-N209 WeakPolarHBondContact O-CB 3.17Å; R206-N209 PolarHBondContact O-N 3.34Å; R206-E270 IonicContact NH2-OE2 3.92Å; R206-R279 VanDerWaalsContact CG-NH2 3.33Å |
| 207 | S | 96.2 | Very high | 94.6 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 13% | 0.133 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -19.1 | -179.1 | 74.1 | 0 | 0 | 0 | 0 | 114.2 | I120 R203 A204 L205 N209 | I120-S207 WeakPolarHBondContact CB-OG 3.18Å; I120-S207 WeakPolarHBondContact CG2-O 3.18Å; I120-S207 PolarHBondContact N-OG 3.18Å; R203-S207 PolarHBondContact O-N 3Å; A204-S207 PolarHBondContact O-N 3.41Å; A204-S207 PolarHBondContact O-OG 3.49Å; L205-S207 VanDerWaalsContact C-N 3.28Å; L205-S207 PolarHBondContact O-N 3.22Å; S207-N209 VanDerWaalsContact C-N 3.25Å; S207-N209 PolarHBondContact O-N 3.34Å |
| 208 | L | 95.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10.7 | 178.5 | -60.8 | 174.6 | 0 | 0 | 0 | 114.1 | I120 L131 L205 R206 D210 F211 Y212 W259 V260 | I120-L208 HydrophobicContact CB-CD2 4.32Å; I120-L208 HydrophobicContact CG1-CD2 4.15Å; I120-L208 HydrophobicContact CG2-CD2 4.36Å; L131-L208 HydrophobicContact CD1-CD1 4.02Å; L131-L208 HydrophobicContact CD1-CD2 4.16Å; L131-L208 HydrophobicContact CD1-CG 4.27Å; L205-L208 HydrophobicContact CD2-CD1 4.29Å; L205-L208 PolarHBondContact O-N 3.28Å; R206-L208 PolarHBondContact O-N 3.39Å; L208-D210 PolarHBondContact O-N 3.41Å; L208-F211 PolarHBondContact O-N 3.27Å; L208-Y212 VanDerWaalsContact O-CB 3.28Å; L208-Y212 WeakPolarHBondContact O-CB 3.27Å; L208-Y212 PolarHBondContact O-N 3Å; L208-W259 HydrophobicContact CD1-CB 4.45Å; L208-W259 HydrophobicContact CD1-CE3 3.89Å; L208-W259 HydrophobicContact CD2-CE3 4.06Å; L208-W259 HydrophobicContact CD2-CZ3 4.01Å; L208-V260 HydrophobicContact CD1-CG2 4.18Å |
| 209 | N | 92 | Very high | 94.5 | Very high | 54 Ų | 54 | 49.4 Ų | 49.4 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -50.3 | -50.6 | -163.5 | -174.9 | 72.1 | 0 | 0 | 0 | 113.8 | R206 S207 N213 | R206-N209 WeakPolarHBondContact O-CB 3.17Å; R206-N209 PolarHBondContact O-N 3.34Å; S207-N209 VanDerWaalsContact C-N 3.25Å; S207-N209 PolarHBondContact O-N 3.34Å; N209-N213 WeakPolarHBondContact O-CB 3.22Å; N209-N213 VanDerWaalsContact O-CG 3.29Å; N209-N213 PolarHBondContact O-N 3.35Å; N209-N213 PolarHBondContact O-ND2 3.06Å; N209-N213 PolarHBondContact OD1-ND2 3.37Å |
| 210 | D | 90.6 | Very high | 94.6 | Very high | 98 Ų | 98 | 44.9 Ų | 44.9 | 52% | 0.524 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -72.9 | -38.3 | -171.1 | -62.1 | -12.8 | 0 | 0 | 0 | 111.8 | L208 R214 | L208-D210 PolarHBondContact O-N 3.41Å; D210-R214 WeakPolarHBondContact O-CB 3.46Å; D210-R214 WeakPolarHBondContact O-CG 3.36Å; D210-R214 PolarHBondContact O-N 3.27Å; D210-R214 PolarHBondContact O-NE 3.18Å |
| 211 | F | 91.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -73 | -42.7 | 177.5 | -54.1 | -80.4 | 0 | 0 | 0 | 111.7 | I120 T121 L208 N213 R214 R215 Q245 C248 M256 | I120-F211 HydrophobicContact CG2-CD2 4.16Å; I120-F211 HydrophobicContact CG2-CE2 3.9Å; T121-F211 HydrophobicContact CG2-CE2 3.74Å; T121-F211 HydrophobicContact CG2-CZ 4.13Å; L208-F211 PolarHBondContact O-N 3.27Å; F211-N213 VanDerWaalsContact C-N 3.34Å; F211-N213 PolarHBondContact O-N 3.23Å; F211-R214 PolarHBondContact O-N 3.12Å; F211-R215 VanDerWaalsContact O-CB 3.3Å; F211-R215 WeakPolarHBondContact O-CB 3.42Å; F211-R215 PolarHBondContact O-N 3.25Å; F211-Q245 HydrophobicContact CE1-CB 3.92Å; F211-Q245 HydrophobicContact CZ-CB 3.83Å; F211-Q245 HydrophobicContact CZ-CG 4.18Å; F211-C248 HydrophobicContact CD1-CB 3.56Å; F211-C248 HydrophobicContact CD2-CB 4.21Å; F211-C248 HydrophobicContact CE1-CB 3.17Å; F211-C248 HydrophobicContact CE2-CB 3.87Å; F211-C248 HydrophobicContact CG-CB 4.05Å; F211-C248 HydrophobicContact CZ-CB 3.31Å; F211-M256 HydrophobicContact CB-SD 4.42Å |
| 212 | Y | 93.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | -179.6 | -169.5 | -117.3 | 0 | 0 | 0 | 111.7 | L208 R215 T216 Y253 M256 V260 V282 A283 | L208-Y212 VanDerWaalsContact O-CB 3.28Å; L208-Y212 WeakPolarHBondContact O-CB 3.27Å; L208-Y212 PolarHBondContact O-N 3Å; Y212-R215 PolarHBondContact O-N 3.08Å; Y212-T216 WeakPolarHBondContact O-CG2 3.41Å; Y212-T216 PolarHBondContact O-N 3.24Å; Y212-T216 PolarHBondContact O-OG1 3.42Å; Y212-Y253 HydrophobicContact CE2-CD2 4.08Å; Y212-Y253 AromaticContact CE2-CE2 3.7Å; Y212-Y253 HydrophobicContact CE2-CE2 3.7Å; Y212-M256 HydrophobicContact CD2-CB 3.61Å; Y212-M256 HydrophobicContact CD2-SD 4.26Å; Y212-M256 HydrophobicContact CE2-CB 3.95Å; Y212-V260 HydrophobicContact CD1-CG2 4.49Å; Y212-V260 HydrophobicContact CE1-CG2 4.41Å; Y212-V282 HydrophobicContact CD1-CG1 4.27Å; Y212-V282 HydrophobicContact CE1-CB 4.1Å; Y212-V282 HydrophobicContact CE1-CG1 3.76Å; Y212-A283 WeakPolarHBondContact OH-CA 3.29Å; Y212-A283 WeakPolarHBondContact OH-CB 3.46Å |
| 213 | N | 91.2 | Very high | 94.4 | Very high | 57 Ų | 57 | 50.9 Ų | 50.9 | 31% | 0.305 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69 | -41.3 | 174.9 | -71.8 | -43.3 | 0 | 0 | 0 | 112 | N209 F211 R215 T216 V217 | N209-N213 WeakPolarHBondContact O-CB 3.22Å; N209-N213 VanDerWaalsContact O-CG 3.29Å; N209-N213 PolarHBondContact O-N 3.35Å; N209-N213 PolarHBondContact O-ND2 3.06Å; N209-N213 PolarHBondContact OD1-ND2 3.37Å; F211-N213 VanDerWaalsContact C-N 3.34Å; F211-N213 PolarHBondContact O-N 3.23Å; N213-R215 VanDerWaalsContact C-N 3.3Å; N213-R215 PolarHBondContact O-N 2.93Å; N213-T216 WeakPolarHBondContact CA-OG1 3.45Å; N213-T216 PolarHBondContact O-N 3.33Å; N213-T216 VanDerWaalsContact O-N 3.14Å; N213-T216 PolarHBondContact O-OG1 3.23Å; N213-V217 WeakPolarHBondContact O-CG1 3.48Å |
| 214 | R | 90.8 | Very high | 94.4 | Very high | 102 Ų | 102 | 49.9 Ų | 49.9 | 39% | 0.385 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.3 | -35.8 | 175.6 | -77.1 | -173 | -68.9 | 152.1 | 4.2 | 112.6 | D210 F211 T216 V217 E249 | D210-R214 WeakPolarHBondContact O-CB 3.46Å; D210-R214 WeakPolarHBondContact O-CG 3.36Å; D210-R214 PolarHBondContact O-N 3.27Å; D210-R214 PolarHBondContact O-NE 3.18Å; F211-R214 PolarHBondContact O-N 3.12Å; R214-T216 PolarHBondContact O-N 3.37Å; R214-V217 WeakPolarHBondContact O-CG2 3.44Å; R214-E249 IonicContact CZ-OE1 2.65Å; R214-E249 IonicContact NH1-OE1 2.74Å; R214-E249 PolarHBondContact NH1-OE1 3.13Å; R214-E249 IonicContact NH2-OE1 2.8Å; R214-E249 PolarHBondContact NH2-OE1 2.87Å |
| 215 | R | 92 | Very high | 94.3 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 2% | 0.023 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.6 | -16.2 | 176.3 | -156.7 | 63.3 | 166.7 | -125.9 | 6.3 | 113.7 | F211 Y212 N213 E249 I251 Y253 M256 S376 Y377 D380 | F211-R215 VanDerWaalsContact O-CB 3.3Å; F211-R215 WeakPolarHBondContact O-CB 3.42Å; F211-R215 PolarHBondContact O-N 3.25Å; Y212-R215 PolarHBondContact O-N 3.08Å; N213-R215 VanDerWaalsContact C-N 3.3Å; N213-R215 PolarHBondContact O-N 2.93Å; R215-E249 PolarHBondContact NH1-O 3.29Å; R215-I251 PolarHBondContact NH1-O 2.9Å; R215-Y253 HydrophobicContact CG-CD2 4.15Å; R215-Y253 HydrophobicContact CG-CG 4.45Å; R215-M256 HydrophobicContact CB-CE 4Å; R215-M256 HydrophobicContact CG-CE 3.83Å; R215-S376 PolarHBondContact NH2-O 2.99Å; R215-S376 PolarHBondContact NH2-OG 3.43Å; R215-Y377 VanDerWaalsContact CD-CE2 3.49Å; R215-Y377 WeakPolarHBondContact CD-OH 3.39Å; R215-Y377 VanDerWaalsContact CZ-CD2 3.49Å; R215-Y377 VanDerWaalsContact NH1-CE2 3.34Å; R215-D380 IonicContact CZ-OD2 2.84Å; R215-D380 IonicContact NE-OD2 3.54Å; R215-D380 PolarHBondContact NE-OD2 3.22Å; R215-D380 IonicContact NH2-OD1 3.59Å; R215-D380 IonicContact NH2-OD2 2.95Å; R215-D380 PolarHBondContact NH2-OD2 2.94Å |
| 216 | T | 90.6 | Very high | 94.1 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 9% | 0.092 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 11.2 | -175.1 | 52.4 | 0 | 0 | 0 | 0 | 114.4 | Y212 N213 R214 Y253 V282 H286 R342 | Y212-T216 WeakPolarHBondContact O-CG2 3.41Å; Y212-T216 PolarHBondContact O-N 3.24Å; Y212-T216 PolarHBondContact O-OG1 3.42Å; N213-T216 WeakPolarHBondContact CA-OG1 3.45Å; N213-T216 PolarHBondContact O-N 3.33Å; N213-T216 VanDerWaalsContact O-N 3.14Å; N213-T216 PolarHBondContact O-OG1 3.23Å; R214-T216 PolarHBondContact O-N 3.37Å; T216-Y253 HydrophobicContact CG2-CD2 3.99Å; T216-Y253 HydrophobicContact CG2-CE2 3.45Å; T216-Y253 VanDerWaalsContact CG2-CE2 3.45Å; T216-V282 HydrophobicContact CG2-CG1 4.08Å; T216-H286 PolarHBondContact O-NE2 2.93Å; T216-R342 VanDerWaalsContact CA-NH2 3.28Å; T216-R342 PolarHBondContact O-NH2 3.09Å |
| 217 | V | 94.2 | Very high | 94 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | trans | -73.2 | 161 | 177 | -56 | 0 | 0 | 0 | 0 | 113.7 | N213 R214 N221 R342 | N213-V217 WeakPolarHBondContact O-CG1 3.48Å; R214-V217 WeakPolarHBondContact O-CG2 3.44Å; V217-N221 HydrophobicContact CB-CB 3.95Å; V217-N221 HydrophobicContact CG2-CB 3.98Å; V217-R342 PolarHBondContact O-NE 3.46Å; V217-R342 PolarHBondContact O-NH2 3.45Å | ||
| 218 | R | 95.1 | Very high | 93.9 | Very high | 158 Ų | 158 | 51.6 Ų | 51.6 | 60% | 0.596 | 27% | 0.267 | S | S | * | . | trans | -77.5 | 158.7 | -179.7 | -60.6 | -177.7 | -179.6 | 178.3 | -1.1 | 111 | Q220 N221 W222 M338 | R218-Q220 PolarHBondContact O-N 3.25Å; R218-Q220 VanDerWaalsContact O-N 3.13Å; R218-N221 PolarHBondContact N-OD1 3Å; R218-N221 VanDerWaalsContact N-OD1 3.14Å; R218-N221 WeakPolarHBondContact O-CB 3.14Å; R218-N221 PolarHBondContact O-N 3.2Å; R218-W222 PolarHBondContact O-N 3.11Å; R218-M338 HydrophobicContact CG-CG 3.97Å | ||
| 219 | A | 96.3 | Very high | 93.8 | Very high | 9 Ų | 9 | 54 Ų | 54 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.2 | -29 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N221 W222 S223 D341 R342 | A219-N221 VanDerWaalsContact C-N 3.31Å; A219-N221 PolarHBondContact O-N 3.02Å; A219-W222 HydrophobicContact CB-CE3 4.4Å; A219-W222 WeakPolarHBondContact O-CB 3.29Å; A219-W222 PolarHBondContact O-N 2.91Å; A219-S223 PolarHBondContact O-N 2.9Å; A219-S223 PolarHBondContact O-OG 3.49Å; A219-D341 HydrophobicContact CB-CB 4.14Å; A219-R342 HydrophobicContact CB-CG 4.03Å |
| 220 | Q | 96.3 | Very high | 93.7 | Very high | 117 Ų | 117 | 52 Ų | 52 | 55% | 0.547 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 172.8 | -172.3 | 61.8 | 40.2 | 0 | 0 | 111.7 | R218 W222 S223 D224 | R218-Q220 PolarHBondContact O-N 3.25Å; R218-Q220 VanDerWaalsContact O-N 3.13Å; Q220-W222 VanDerWaalsContact C-N 3.28Å; Q220-W222 PolarHBondContact O-N 3.2Å; Q220-S223 WeakPolarHBondContact O-CB 3.23Å; Q220-S223 PolarHBondContact O-N 2.99Å; Q220-S223 VanDerWaalsContact O-N 3.14Å; Q220-D224 PolarHBondContact NE2-OD1 3.11Å; Q220-D224 PolarHBondContact O-N 3.43Å |
| 221 | N | 96.9 | Very high | 93.8 | Very high | 85 Ų | 85 | 51.4 Ų | 51.4 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.8 | -34.6 | 177.4 | -60.3 | 103.8 | 0 | 0 | 0 | 111.9 | V217 R218 A219 G225 | V217-N221 HydrophobicContact CB-CB 3.95Å; V217-N221 HydrophobicContact CG2-CB 3.98Å; R218-N221 PolarHBondContact N-OD1 3Å; R218-N221 VanDerWaalsContact N-OD1 3.14Å; R218-N221 WeakPolarHBondContact O-CB 3.14Å; R218-N221 PolarHBondContact O-N 3.2Å; A219-N221 VanDerWaalsContact C-N 3.31Å; A219-N221 PolarHBondContact O-N 3.02Å; N221-G225 PolarHBondContact O-N 3.37Å |
| 222 | W | 96.1 | Very high | 93.8 | Very high | 14 Ų | 14 | 55.4 Ų | 55.4 | 5% | 0.053 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 172.9 | -63.3 | -18.8 | 0 | 0 | 0 | 112 | R218 A219 Q220 G225 H226 F227 R342 Y345 L346 Y377 | R218-W222 PolarHBondContact O-N 3.11Å; A219-W222 HydrophobicContact CB-CE3 4.4Å; A219-W222 WeakPolarHBondContact O-CB 3.29Å; A219-W222 PolarHBondContact O-N 2.91Å; Q220-W222 VanDerWaalsContact C-N 3.28Å; Q220-W222 PolarHBondContact O-N 3.2Å; W222-G225 CarbonylContact O-C 3.56Å; W222-G225 PolarHBondContact O-N 3.44Å; W222-H226 PolarHBondContact O-N 3.33Å; W222-F227 HydrophobicContact CB-CB 3.81Å; W222-F227 HydrophobicContact CB-CD1 4.06Å; W222-F227 HydrophobicContact CB-CG 4.33Å; W222-F227 HydrophobicContact CD2-CD1 4.02Å; W222-F227 HydrophobicContact CD2-CE1 4.44Å; W222-F227 HydrophobicContact CE3-CD1 4.46Å; W222-F227 HydrophobicContact CG-CB 4.27Å; W222-F227 AromaticContact CG-CD1 3.82Å; W222-F227 HydrophobicContact CG-CD1 3.82Å; W222-F227 HydrophobicContact CG-CG 4.31Å; W222-F227 WeakPolarHBondContact O-CB 3.42Å; W222-F227 PolarHBondContact O-N 3.2Å; W222-R342 HydrophobicContact CE3-CB 4.48Å; W222-R342 HydrophobicContact CE3-CG 4.19Å; W222-R342 HydrophobicContact CH2-CB 3.8Å; W222-R342 VanDerWaalsContact CH2-CD 3.43Å; W222-R342 HydrophobicContact CH2-CG 3.52Å; W222-R342 HydrophobicContact CZ2-CG 4.29Å; W222-R342 HydrophobicContact CZ3-CB 3.51Å; W222-R342 HydrophobicContact CZ3-CG 3.45Å; W222-R342 VanDerWaalsContact CZ3-CG 3.45Å; W222-Y345 HydrophobicContact CB-CD1 4.21Å; W222-Y345 HydrophobicContact CB-CE1 3.84Å; W222-Y345 HydrophobicContact CB-CE2 4.19Å; W222-Y345 HydrophobicContact CD2-CD1 4.49Å; W222-Y345 AromaticContact CE3-CD1 3.66Å; W222-Y345 HydrophobicContact CE3-CD1 3.66Å; W222-Y345 HydrophobicContact CE3-CE1 4.26Å; W222-Y345 HydrophobicContact CE3-CG 4.13Å; W222-Y345 HydrophobicContact CZ3-CD1 4.43Å; W222-Y345 PolarHBondContact O-OH 3.03Å; W222-L346 HydrophobicContact CH2-CD1 4.14Å; W222-L346 HydrophobicContact CZ3-CD1 3.86Å; W222-L346 HydrophobicContact CZ3-CD2 4.25Å; W222-L346 HydrophobicContact CZ3-CG 3.86Å; W222-Y377 AromaticContact CE2-CE1 3.93Å; W222-Y377 AromaticContact CH2-CD1 3.78Å; W222-Y377 HydrophobicContact CH2-CD1 3.78Å; W222-Y377 HydrophobicContact CH2-CE1 4.4Å; W222-Y377 AromaticContact CZ2-CD1 3.41Å; W222-Y377 HydrophobicContact CZ2-CD1 3.41Å; W222-Y377 VanDerWaalsContact CZ2-CD1 3.41Å; W222-Y377 AromaticContact CZ2-CE1 3.58Å; W222-Y377 HydrophobicContact CZ2-CE1 3.58Å; W222-Y377 AromaticContact NE1-CE1 3.97Å |
| 223 | S | 94.9 | Very high | 93.7 | Very high | 47 Ų | 47 | 59.5 Ų | 59.5 | 33% | 0.329 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.8 | -47.5 | 177.6 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | A219 Q220 G225 H226 Y345 | A219-S223 PolarHBondContact O-N 2.9Å; A219-S223 PolarHBondContact O-OG 3.49Å; Q220-S223 WeakPolarHBondContact O-CB 3.23Å; Q220-S223 PolarHBondContact O-N 2.99Å; Q220-S223 VanDerWaalsContact O-N 3.14Å; S223-G225 PolarHBondContact O-N 3.18Å; S223-H226 PolarHBondContact O-N 3.2Å; S223-Y345 WeakPolarHBondContact OG-CD2 3.43Å; S223-Y345 VanDerWaalsContact OG-CE2 3.31Å; S223-Y345 WeakPolarHBondContact OG-CE2 3.27Å |
| 224 | D | 96.3 | Very high | 93.7 | Very high | 102 Ų | 102 | 61.3 Ų | 61.3 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.3 | -29.3 | 178.2 | -61.2 | -21.6 | 0 | 0 | 0 | 111.9 | Q220 | Q220-D224 PolarHBondContact NE2-OD1 3.11Å; Q220-D224 PolarHBondContact O-N 3.43Å |
| 225 | G | 95 | Very high | 93.8 | Very high | 56 Ų | 56 | 61.1 Ų | 61.1 | 58% | 0.577 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 4.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N221 W222 S223 F227 | N221-G225 PolarHBondContact O-N 3.37Å; W222-G225 CarbonylContact O-C 3.56Å; W222-G225 PolarHBondContact O-N 3.44Å; S223-G225 PolarHBondContact O-N 3.18Å; G225-F227 PolarHBondContact O-N 3.48Å |
| 226 | H | 94.4 | Very high | 93.8 | Very high | 80 Ų | 80 | 65 Ų | 65 | 37% | 0.37 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 38.4 | -177.6 | -57.4 | -69.3 | 0 | 0 | 0 | 114 | W222 S223 L228 D229 H232 | W222-H226 PolarHBondContact O-N 3.33Å; S223-H226 PolarHBondContact O-N 3.2Å; H226-L228 PolarHBondContact O-N 3.36Å; H226-D229 HydrophobicContact CB-CB 4.35Å; H226-D229 PolarHBondContact O-N 3.45Å; H226-D229 VanDerWaalsContact O-N 3.11Å; H226-H232 HydrophobicContact CB-CB 4.05Å; H226-H232 AromaticContact CD2-CD2 3.57Å; H226-H232 AromaticContact CD2-CE1 3.25Å; H226-H232 PolarHBondContact CD2-CE1 3.06Å; H226-H232 AromaticContact CD2-CG 3.78Å; H226-H232 AromaticContact CD2-ND1 3.6Å; H226-H232 AromaticContact CD2-NE2 3.23Å; H226-H232 PolarHBondContact CD2-NE2 2.67Å; H226-H232 AromaticContact CE1-CE1 3.42Å; H226-H232 PolarHBondContact CE1-CE1 2.88Å; H226-H232 VanDerWaalsContact CE1-CE1 3.42Å; H226-H232 AromaticContact CE1-ND1 3.43Å; H226-H232 PolarHBondContact CE1-ND1 3.34Å; H226-H232 AromaticContact CG-CD2 3.66Å; H226-H232 AromaticContact CG-CE1 3.66Å; H226-H232 AromaticContact CG-CG 3.48Å; H226-H232 VanDerWaalsContact CG-CG 3.48Å; H226-H232 AromaticContact CG-ND1 3.48Å; H226-H232 AromaticContact CG-NE2 3.78Å; H226-H232 AromaticContact ND1-CE1 3.74Å; H226-H232 AromaticContact ND1-CG 3.77Å; H226-H232 AromaticContact ND1-ND1 3.37Å; H226-H232 PolarHBondContact ND1-ND1 3.07Å; H226-H232 AromaticContact NE2-CE1 3.09Å; H226-H232 PolarHBondContact NE2-CE1 2.88Å; H226-H232 AromaticContact NE2-ND1 3.57Å; H226-H232 AromaticContact NE2-NE2 3.54Å |
| 227 | F | 94.4 | Very high | 93.9 | Very high | 22 Ų | 22 | 65.5 Ų | 65.5 | 10% | 0.096 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 123.4 | -175.7 | 178.4 | -124 | 0 | 0 | 0 | 111.7 | W222 G225 D229 Y345 L346 W373 Y377 | W222-F227 HydrophobicContact CB-CB 3.81Å; W222-F227 HydrophobicContact CB-CD1 4.06Å; W222-F227 HydrophobicContact CB-CG 4.33Å; W222-F227 HydrophobicContact CD2-CD1 4.02Å; W222-F227 HydrophobicContact CD2-CE1 4.44Å; W222-F227 HydrophobicContact CE3-CD1 4.46Å; W222-F227 HydrophobicContact CG-CB 4.27Å; W222-F227 AromaticContact CG-CD1 3.82Å; W222-F227 HydrophobicContact CG-CD1 3.82Å; W222-F227 HydrophobicContact CG-CG 4.31Å; W222-F227 WeakPolarHBondContact O-CB 3.42Å; W222-F227 PolarHBondContact O-N 3.2Å; G225-F227 PolarHBondContact O-N 3.48Å; F227-D229 PolarHBondContact O-N 3Å; F227-Y345 HydrophobicContact CB-CE1 4.33Å; F227-Y345 AromaticContact CD1-CE1 3.94Å; F227-Y345 HydrophobicContact CD1-CE1 3.94Å; F227-Y345 PolarHBondContact N-OH 3.03Å; F227-Y345 PolarHBondContact O-OH 2.71Å; F227-L346 HydrophobicContact CE1-CD2 4.36Å; F227-W373 HydrophobicContact CD2-CH2 4.25Å; F227-W373 HydrophobicContact CD2-CZ2 4.42Å; F227-W373 HydrophobicContact CD2-CZ3 4.33Å; F227-W373 AromaticContact CE2-CD2 3.62Å; F227-W373 HydrophobicContact CE2-CD2 3.62Å; F227-W373 AromaticContact CE2-CE2 3.55Å; F227-W373 AromaticContact CE2-CE3 3.78Å; F227-W373 HydrophobicContact CE2-CE3 3.78Å; F227-W373 HydrophobicContact CE2-CG 4.28Å; F227-W373 AromaticContact CE2-CH2 3.85Å; F227-W373 HydrophobicContact CE2-CH2 3.85Å; F227-W373 AromaticContact CE2-CZ2 3.69Å; F227-W373 HydrophobicContact CE2-CZ2 3.69Å; F227-W373 AromaticContact CE2-CZ3 3.89Å; F227-W373 HydrophobicContact CE2-CZ3 3.89Å; F227-W373 HydrophobicContact CZ-CD2 4.15Å; F227-W373 HydrophobicContact CZ-CG 4.35Å; F227-Y377 AromaticContact CE1-CD1 3.78Å; F227-Y377 HydrophobicContact CE1-CD1 3.78Å; F227-Y377 HydrophobicContact CE1-CE1 4.11Å; F227-Y377 HydrophobicContact CE1-CG 4.14Å; F227-Y377 AromaticContact CZ-CD1 3.93Å; F227-Y377 HydrophobicContact CZ-CD1 3.93Å; F227-Y377 HydrophobicContact CZ-CD2 4.21Å; F227-Y377 HydrophobicContact CZ-CE1 4Å; F227-Y377 HydrophobicContact CZ-CE2 4.29Å; F227-Y377 HydrophobicContact CZ-CG 4.03Å |
| 228 | L | 94.3 | Very high | 93.8 | Very high | 9 Ų | 9 | 68.3 Ų | 68.3 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 3.1 | -176.1 | -50.9 | 171.5 | 0 | 0 | 0 | 116 | H226 I230 L346 L350 L370 | H226-L228 PolarHBondContact O-N 3.36Å; L228-I230 PolarHBondContact O-N 3.16Å; L228-L346 HydrophobicContact CD1-CD2 4.2Å; L228-L350 HydrophobicContact CD1-CD2 4.47Å; L228-L370 HydrophobicContact CD2-CB 4.35Å; L228-L370 HydrophobicContact CD2-CD2 4.47Å; L228-L370 WeakPolarHBondContact CD2-O 3.39Å |
| 229 | D | 93.4 | Very high | 93.7 | Very high | 51 Ų | 51 | 65.6 Ų | 65.6 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | trans | -84.4 | 94.5 | 177.8 | -172.8 | 1.8 | 0 | 0 | 0 | 111.1 | H226 F227 L231 H232 Q352 | H226-D229 HydrophobicContact CB-CB 4.35Å; H226-D229 PolarHBondContact O-N 3.45Å; H226-D229 VanDerWaalsContact O-N 3.11Å; F227-D229 PolarHBondContact O-N 3Å; D229-L231 PolarHBondContact O-N 2.86Å; D229-L231 PolarHBondContact OD1-N 3.28Å; D229-H232 HydrophobicContact CB-CB 4.27Å; D229-H232 PolarHBondContact O-N 2.85Å; D229-H232 PolarHBondContact OD1-N 3.37Å; D229-Q352 PolarHBondContact OD1-NE2 3.48Å | ||
| 230 | I | 90.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 67.1 Ų | 67.1 | 7% | 0.067 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -23.7 | 178.9 | -60.1 | 179.2 | 0 | 0 | 0 | 111.7 | L228 V237 L353 K367 L370 | L228-I230 PolarHBondContact O-N 3.16Å; I230-V237 HydrophobicContact CG2-CB 4.41Å; I230-V237 HydrophobicContact CG2-CG1 4.07Å; I230-V237 HydrophobicContact CG2-CG2 4.07Å; I230-V237 WeakPolarHBondContact O-CG2 3.15Å; I230-L353 HydrophobicContact CD1-CD1 3.24Å; I230-L353 HydrophobicContact CG1-CD1 4.17Å; I230-K367 HydrophobicContact CD1-CB 4.19Å; I230-K367 HydrophobicContact CD1-CG 4.15Å; I230-L370 HydrophobicContact CD1-CD1 3.81Å; I230-L370 HydrophobicContact CG1-CD1 3.58Å |
| 231 | L | 92.2 | Very high | 93.3 | Very high | 86 Ų | 86 | 62.9 Ų | 62.9 | 45% | 0.45 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -4.9 | -175.6 | -59.8 | -176.3 | 0 | 0 | 0 | 113.3 | D229 E233 P234 I356 | D229-L231 PolarHBondContact O-N 2.86Å; D229-L231 PolarHBondContact OD1-N 3.28Å; L231-E233 VanDerWaalsContact C-N 3.31Å; L231-E233 PolarHBondContact O-N 3.43Å; L231-P234 WeakPolarHBondContact O-CD 3.32Å; L231-P234 WeakPolarHBondContact O-CG 3.46Å; L231-I356 HydrophobicContact CD1-CD1 3.73Å; L231-I356 HydrophobicContact CD1-CG1 4.4Å; L231-I356 HydrophobicContact CD2-CD1 3.93Å; L231-I356 HydrophobicContact CG-CD1 3.6Å |
| 232 | H | 91.9 | Very high | 92.8 | Very high | 90 Ų | 90 | 62.9 Ų | 62.9 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -61.2 | -40.4 | 177.2 | -178 | 61.9 | 0 | 0 | 0 | 112.1 | H226 D229 P234 | H226-H232 HydrophobicContact CB-CB 4.05Å; H226-H232 AromaticContact CD2-CD2 3.57Å; H226-H232 AromaticContact CD2-CE1 3.25Å; H226-H232 PolarHBondContact CD2-CE1 3.06Å; H226-H232 AromaticContact CD2-CG 3.78Å; H226-H232 AromaticContact CD2-ND1 3.6Å; H226-H232 AromaticContact CD2-NE2 3.23Å; H226-H232 PolarHBondContact CD2-NE2 2.67Å; H226-H232 AromaticContact CE1-CE1 3.42Å; H226-H232 PolarHBondContact CE1-CE1 2.88Å; H226-H232 VanDerWaalsContact CE1-CE1 3.42Å; H226-H232 AromaticContact CE1-ND1 3.43Å; H226-H232 PolarHBondContact CE1-ND1 3.34Å; H226-H232 AromaticContact CG-CD2 3.66Å; H226-H232 AromaticContact CG-CE1 3.66Å; H226-H232 AromaticContact CG-CG 3.48Å; H226-H232 VanDerWaalsContact CG-CG 3.48Å; H226-H232 AromaticContact CG-ND1 3.48Å; H226-H232 AromaticContact CG-NE2 3.78Å; H226-H232 AromaticContact ND1-CE1 3.74Å; H226-H232 AromaticContact ND1-CG 3.77Å; H226-H232 AromaticContact ND1-ND1 3.37Å; H226-H232 PolarHBondContact ND1-ND1 3.07Å; H226-H232 AromaticContact NE2-CE1 3.09Å; H226-H232 PolarHBondContact NE2-CE1 2.88Å; H226-H232 AromaticContact NE2-ND1 3.57Å; H226-H232 AromaticContact NE2-NE2 3.54Å; D229-H232 HydrophobicContact CB-CB 4.27Å; D229-H232 PolarHBondContact O-N 2.85Å; D229-H232 PolarHBondContact OD1-N 3.37Å; H232-P234 WeakPolarHBondContact O-CD 3.45Å |
| 233 | E | 91.6 | Very high | 92.2 | Very high | 87 Ų | 87 | 63.6 Ų | 63.6 | 41% | 0.407 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -122.6 | 81.8 | 175.5 | -68 | -175.9 | 135.6 | 0 | 0 | 111 | L231 S235 K236 | L231-E233 VanDerWaalsContact C-N 3.31Å; L231-E233 PolarHBondContact O-N 3.43Å; E233-S235 PolarHBondContact O-N 2.71Å; E233-K236 HydrophobicContact CB-CB 4.4Å; E233-K236 HydrophobicContact CB-CG 4.34Å; E233-K236 PolarHBondContact O-N 2.8Å; E233-K236 IonicContact OE1-NZ 3.15Å; E233-K236 PolarHBondContact OE1-NZ 3.34Å; E233-K236 WeakPolarHBondContact OE2-CD 3.43Å; E233-K236 WeakPolarHBondContact OE2-CE 3.33Å; E233-K236 IonicContact OE2-NZ 3.5Å; E233-K236 PolarHBondContact OE2-NZ 2.91Å |
| 234 | P | 90.2 | Very high | 91.5 | Very high | 95 Ų | 95 | 66.9 Ų | 66.9 | 62% | 0.617 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -54.8 | -31.2 | -174.3 | -28.9 | 36.5 | 0 | 0 | 0 | 114.6 | L231 H232 K236 V237 | L231-P234 WeakPolarHBondContact O-CD 3.32Å; L231-P234 WeakPolarHBondContact O-CG 3.46Å; H232-P234 WeakPolarHBondContact O-CD 3.45Å; P234-K236 PolarHBondContact O-N 3.13Å; P234-V237 WeakPolarHBondContact O-CB 3.44Å; P234-V237 WeakPolarHBondContact O-CG2 3.33Å; P234-V237 PolarHBondContact O-N 2.79Å |
| 235 | S | 94 | Very high | 91 | Very high | 97 Ų | 97 | 64 Ų | 64 | 68% | 0.678 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -67.3 | -19.4 | 177.7 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | E233 | E233-S235 PolarHBondContact O-N 2.71Š|
| 236 | K | 91.9 | Very high | 90.7 | Very high | 88 Ų | 88 | 62 Ų | 62 | 38% | 0.383 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -105.6 | 9.5 | 179.6 | -54.7 | -168.9 | -161.4 | 153.7 | 0 | 112.9 | E233 P234 T238 H239 K367 | E233-K236 HydrophobicContact CB-CB 4.4Å; E233-K236 HydrophobicContact CB-CG 4.34Å; E233-K236 PolarHBondContact O-N 2.8Å; E233-K236 IonicContact OE1-NZ 3.15Å; E233-K236 PolarHBondContact OE1-NZ 3.34Å; E233-K236 WeakPolarHBondContact OE2-CD 3.43Å; E233-K236 WeakPolarHBondContact OE2-CE 3.33Å; E233-K236 IonicContact OE2-NZ 3.5Å; E233-K236 PolarHBondContact OE2-NZ 2.91Å; P234-K236 PolarHBondContact O-N 3.13Å; K236-T238 PolarHBondContact O-N 2.7Å; K236-H239 HydrophobicContact CB-CB 4.33Å; K236-H239 WeakPolarHBondContact O-CB 3.34Å; K236-H239 PolarHBondContact O-N 3.1Å; K236-K367 PolarHBondContact O-NZ 3.29Å |
| 237 | V | 92.1 | Very high | 90.4 | Very high | 26 Ų | 26 | 59.3 Ų | 59.3 | 16% | 0.158 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -31.8 | -178.7 | 171.4 | 0 | 0 | 0 | 0 | 112 | I230 P234 L363 K367 | I230-V237 HydrophobicContact CG2-CB 4.41Å; I230-V237 HydrophobicContact CG2-CG1 4.07Å; I230-V237 HydrophobicContact CG2-CG2 4.07Å; I230-V237 WeakPolarHBondContact O-CG2 3.15Å; P234-V237 WeakPolarHBondContact O-CB 3.44Å; P234-V237 WeakPolarHBondContact O-CG2 3.33Å; P234-V237 PolarHBondContact O-N 2.79Å; V237-L363 HydrophobicContact CG1-CD1 3.93Å; V237-L363 HydrophobicContact CG1-CD2 3.95Å; V237-K367 WeakPolarHBondContact O-CE 3.26Å |
| 238 | T | 92.1 | Very high | 90.3 | Very high | 102 Ų | 102 | 58.5 Ų | 58.5 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -7.4 | 177.4 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | K236 L363 | K236-T238 PolarHBondContact O-N 2.7Å; T238-L363 HydrophobicContact CG2-CD2 4.46Å |
| 239 | H | 94.2 | Very high | 90.3 | Very high | 102 Ų | 102 | 58.8 Ų | 58.8 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -70.4 | 134.5 | -179 | -67.9 | -167 | 0 | 0 | 0 | 110.8 | K236 V241 K367 | K236-H239 HydrophobicContact CB-CB 4.33Å; K236-H239 WeakPolarHBondContact O-CB 3.34Å; K236-H239 PolarHBondContact O-N 3.1Å; H239-V241 PolarHBondContact O-N 2.68Å; H239-K367 VanDerWaalsContact O-CE 3.27Å; H239-K367 WeakPolarHBondContact O-CE 3.42Å; H239-K367 PolarHBondContact O-NZ 2.82Å |
| 240 | T | 93.5 | Very high | 90.3 | Very high | 40 Ų | 40 | 57.2 Ų | 57.2 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | trans | -59.5 | 135.7 | 170.6 | -42.6 | 0 | 0 | 0 | 0 | 110.4 | L242 F441 L445 | T240-L242 HydrophobicContact CG2-CD2 3.83Å; T240-L242 HydrophobicContact CG2-CG 4.16Å; T240-L242 PolarHBondContact O-N 3.08Å; T240-L242 VanDerWaalsContact O-N 3.15Å; T240-F441 HydrophobicContact CG2-CE1 3.86Å; T240-F441 HydrophobicContact CG2-CZ 3.86Å; T240-F441 WeakPolarHBondContact OG1-CZ 3.33Å; T240-L445 HydrophobicContact CG2-CD2 4.14Å | ||
| 241 | V | 89.7 | Confident | 90.5 | Very high | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.17 | 32% | 0.317 | C | S | . | . | trans | -74.6 | 105 | 169.7 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | H239 L246 P366 K367 F369 L370 | H239-V241 PolarHBondContact O-N 2.68Å; V241-L246 HydrophobicContact CG1-CD2 4.39Å; V241-P366 PolarHBondContact N-O 3.23Å; V241-P366 VanDerWaalsContact N-O 3.1Å; V241-K367 HydrophobicContact CG2-CD 3.95Å; V241-F369 HydrophobicContact CB-CB 4.39Å; V241-F369 HydrophobicContact CG1-CB 4.45Å; V241-F369 HydrophobicContact CG1-CD1 3.74Å; V241-F369 HydrophobicContact CG1-CE1 4.49Å; V241-F369 HydrophobicContact CG1-CG 4.4Å; V241-L370 HydrophobicContact CG2-CD1 4.2Å; V241-L370 HydrophobicContact CG2-CD2 4.15Å; V241-L370 HydrophobicContact CG2-CG 3.92Å | ||
| 242 | L | 87.5 | Confident | 90.7 | Very high | 85 Ų | 85 | 54.6 Ų | 54.6 | 45% | 0.445 | 31% | 0.307 | S | S | . | . | trans | -113 | 147.1 | 175.7 | -60.4 | 176.4 | 0 | 0 | 0 | 109.3 | T240 | T240-L242 HydrophobicContact CG2-CD2 3.83Å; T240-L242 HydrophobicContact CG2-CG 4.16Å; T240-L242 PolarHBondContact O-N 3.08Å; T240-L242 VanDerWaalsContact O-N 3.15Å | ||
| 243 | G | 83.2 | Confident | 90.9 | Very high | 29 Ų | 29 | 50.6 Ų | 50.6 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | trans | -172.7 | 151.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q245 L246 S539 | G243-Q245 PolarHBondContact O-N 2.79Å; G243-L246 WeakPolarHBondContact O-CG 3.44Å; G243-S539 PolarHBondContact O-OG 3.39Å; G243-S539 VanDerWaalsContact O-OG 3.11Å | ||
| 244 | E | 79.7 | Confident | 91.1 | Very high | 116 Ų | 116 | 48.1 Ų | 48.1 | 54% | 0.542 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25 | -172.4 | -66.4 | 166.6 | -168.5 | 0 | 0 | 113.6 | E535 | E244-E535 HydrophobicContact CB-CB 4.15Å; E244-E535 HydrophobicContact CB-CG 3.91Å; E244-E535 HydrophobicContact CG-CB 4.31Å; E244-E535 HydrophobicContact CG-CG 4.21Å |
| 245 | Q | 86.2 | Confident | 91.3 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 19% | 0.192 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.9 | 28.3 | -166.7 | -63.3 | 172.6 | -11.9 | 0 | 0 | 113.1 | F211 G243 G247 C248 | F211-Q245 HydrophobicContact CE1-CB 3.92Å; F211-Q245 HydrophobicContact CZ-CB 3.83Å; F211-Q245 HydrophobicContact CZ-CG 4.18Å; G243-Q245 PolarHBondContact O-N 2.79Å; Q245-G247 PolarHBondContact O-N 3.42Å; Q245-G247 VanDerWaalsContact O-N 3.12Å; Q245-C248 HydrophobicContact CB-CB 4.48Å; Q245-C248 WeakPolarHBondContact O-CB 3.25Å; Q245-C248 PolarHBondContact O-N 2.83Å |
| 246 | L | 88.8 | Confident | 91.5 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.6 | -35 | -176.2 | -65.2 | -179.7 | 0 | 0 | 0 | 113.2 | V241 G243 C248 E249 F369 L542 | V241-L246 HydrophobicContact CG1-CD2 4.39Å; G243-L246 WeakPolarHBondContact O-CG 3.44Å; L246-C248 VanDerWaalsContact C-N 3.29Å; L246-C248 PolarHBondContact O-N 3.17Å; L246-E249 WeakPolarHBondContact O-CB 3.33Å; L246-E249 PolarHBondContact O-N 3.24Å; L246-F369 HydrophobicContact CB-CD2 4.27Å; L246-F369 HydrophobicContact CB-CE2 3.65Å; L246-F369 HydrophobicContact CB-CZ 3.78Å; L246-F369 HydrophobicContact CD2-CD1 4.09Å; L246-F369 HydrophobicContact CD2-CE1 3.6Å; L246-F369 HydrophobicContact CD2-CE2 4.27Å; L246-F369 HydrophobicContact CD2-CZ 3.68Å; L246-F369 HydrophobicContact CG-CE2 4.37Å; L246-F369 HydrophobicContact CG-CZ 4.23Å; L246-F369 WeakPolarHBondContact O-CE2 3.26Å; L246-F369 WeakPolarHBondContact O-CZ 3.31Å; L246-L542 HydrophobicContact CB-CD2 3.42Å; L246-L542 VanDerWaalsContact CB-CD2 3.42Å; L246-L542 HydrophobicContact CD1-CD2 4.19Å; L246-L542 HydrophobicContact CG-CD2 4.47Å |
| 247 | G | 88.3 | Confident | 91.8 | Very high | 22 Ų | 22 | 36.7 Ų | 36.7 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -33.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F124 Q245 E249 L250 | F124-G247 WeakPolarHBondContact CZ-O 3.28Å; Q245-G247 PolarHBondContact O-N 3.42Å; Q245-G247 VanDerWaalsContact O-N 3.12Å; G247-E249 VanDerWaalsContact C-N 3.33Å; G247-L250 PolarHBondContact O-N 3.32Å |
| 248 | C | 92.4 | Very high | 92 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.2 | -29.6 | 177.7 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | F124 F211 Q245 L246 L250 I251 | F124-C248 WeakPolarHBondContact CD2-SG 3.47Å; F124-C248 HydrophobicContact CE2-CB 4.31Å; F211-C248 HydrophobicContact CD1-CB 3.56Å; F211-C248 HydrophobicContact CD2-CB 4.21Å; F211-C248 HydrophobicContact CE1-CB 3.17Å; F211-C248 HydrophobicContact CE2-CB 3.87Å; F211-C248 HydrophobicContact CG-CB 4.05Å; F211-C248 HydrophobicContact CZ-CB 3.31Å; Q245-C248 HydrophobicContact CB-CB 4.48Å; Q245-C248 WeakPolarHBondContact O-CB 3.25Å; Q245-C248 PolarHBondContact O-N 2.83Å; L246-C248 VanDerWaalsContact C-N 3.29Å; L246-C248 PolarHBondContact O-N 3.17Å; C248-L250 PolarHBondContact O-N 3.34Å; C248-I251 WeakPolarHBondContact O-CG1 3.17Å; C248-I251 PolarHBondContact O-N 2.83Å |
| 249 | E | 92.5 | Very high | 92.3 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.3 | -17.8 | 178.7 | -61.3 | -63.8 | 164.7 | 0 | 0 | 113.2 | R214 R215 L246 G247 F369 W373 | R214-E249 IonicContact CZ-OE1 2.65Å; R214-E249 IonicContact NH1-OE1 2.74Å; R214-E249 PolarHBondContact NH1-OE1 3.13Å; R214-E249 IonicContact NH2-OE1 2.8Å; R214-E249 PolarHBondContact NH2-OE1 2.87Å; R215-E249 PolarHBondContact NH1-O 3.29Å; L246-E249 WeakPolarHBondContact O-CB 3.33Å; L246-E249 PolarHBondContact O-N 3.24Å; G247-E249 VanDerWaalsContact C-N 3.33Å; E249-F369 HydrophobicContact CB-CZ 3.97Å; E249-F369 HydrophobicContact CG-CZ 4.47Å; E249-W373 HydrophobicContact CG-CZ2 4.36Å |
| 250 | L | 94.2 | Very high | 92.5 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 9% | 0.094 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -1.5 | 179 | -60.6 | -176.1 | 0 | 0 | 0 | 113.5 | G247 C248 P252 F369 F372 W373 L542 L553 V557 | G247-L250 PolarHBondContact O-N 3.32Å; C248-L250 PolarHBondContact O-N 3.34Å; L250-P252 WeakPolarHBondContact O-CD 3.36Å; L250-F369 HydrophobicContact CD1-CE2 4.03Å; L250-F369 HydrophobicContact CD2-CE2 4Å; L250-F369 HydrophobicContact CD2-CZ 4.34Å; L250-F369 HydrophobicContact CG-CE2 3.9Å; L250-F369 HydrophobicContact CG-CZ 4.47Å; L250-F372 HydrophobicContact CD1-CB 4.33Å; L250-F372 HydrophobicContact CD2-CB 3.95Å; L250-W373 HydrophobicContact CD2-CB 4.4Å; L250-L542 HydrophobicContact CD1-CD1 4Å; L250-L553 HydrophobicContact CD1-CD1 4.05Å; L250-V557 HydrophobicContact CB-CG1 4.47Å; L250-V557 HydrophobicContact CD2-CG1 4.32Å |
| 251 | I | 95.2 | Very high | 92.7 | Very high | 8 Ų | 8 | 25.6 Ų | 25.6 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -68 | 122.7 | 174.9 | -56 | 171.8 | 0 | 0 | 0 | 108.8 | I120 F124 R215 C248 V255 M256 W259 | I120-I251 HydrophobicContact CD1-CD1 4.2Å; I120-I251 HydrophobicContact CG1-CD1 4.14Å; F124-I251 HydrophobicContact CE2-CD1 3.9Å; F124-I251 HydrophobicContact CE2-CG1 4.22Å; F124-I251 HydrophobicContact CZ-CG1 4.43Å; R215-I251 PolarHBondContact NH1-O 2.9Å; C248-I251 WeakPolarHBondContact O-CG1 3.17Å; C248-I251 PolarHBondContact O-N 2.83Å; I251-V255 HydrophobicContact CG2-CB 4.48Å; I251-V255 HydrophobicContact CG2-CG1 4.28Å; I251-M256 HydrophobicContact CB-CG 4.38Å; I251-M256 HydrophobicContact CB-SD 4.38Å; I251-M256 HydrophobicContact CG2-CE 4.5Å; I251-M256 HydrophobicContact CG2-CG 3.56Å; I251-M256 HydrophobicContact CG2-SD 4.19Å; I251-M256 WeakPolarHBondContact O-CE 3.32Å; I251-W259 HydrophobicContact CD1-CH2 4.43Å; I251-W259 HydrophobicContact CD1-CZ3 4.27Å; I251-W259 HydrophobicContact CG2-CH2 3.69Å; I251-W259 HydrophobicContact CG2-CZ3 3.77Å |
| 252 | P | 95.3 | Very high | 93.1 | Very high | 36 Ų | 36 | 24.3 Ų | 24.3 | 23% | 0.234 | 14% | 0.135 | C | C | . | . | trans | -61.5 | 145.5 | 179 | -23.4 | 34.2 | 0 | 0 | 0 | 112.7 | L250 E254 V255 M256 | L250-P252 WeakPolarHBondContact O-CD 3.36Å; P252-E254 VanDerWaalsContact C-N 3.32Å; P252-E254 PolarHBondContact O-N 3.21Å; P252-V255 HydrophobicContact CB-CB 4.33Å; P252-V255 HydrophobicContact CB-CG2 3.99Å; P252-V255 HydrophobicContact CG-CG2 4.1Å; P252-V255 PolarHBondContact O-N 2.64Å; P252-M256 PolarHBondContact O-N 3Å | ||
| 253 | Y | 95.5 | Very high | 93.6 | Very high | 6 Ų | 6 | 20.4 Ų | 20.4 | 2% | 0.024 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58 | -45.2 | 178.3 | 168.3 | -101.7 | 0 | 0 | 0 | 111.6 | Y212 R215 T216 V255 M256 E257 H286 D380 | Y212-Y253 HydrophobicContact CE2-CD2 4.08Å; Y212-Y253 AromaticContact CE2-CE2 3.7Å; Y212-Y253 HydrophobicContact CE2-CE2 3.7Å; R215-Y253 HydrophobicContact CG-CD2 4.15Å; R215-Y253 HydrophobicContact CG-CG 4.45Å; T216-Y253 HydrophobicContact CG2-CD2 3.99Å; T216-Y253 HydrophobicContact CG2-CE2 3.45Å; T216-Y253 VanDerWaalsContact CG2-CE2 3.45Å; Y253-V255 PolarHBondContact O-N 3.31Å; Y253-M256 PolarHBondContact O-N 3Å; Y253-E257 HydrophobicContact CE1-CB 4.21Å; Y253-E257 WeakPolarHBondContact CE1-OE1 3.3Å; Y253-E257 WeakPolarHBondContact O-CB 3.35Å; Y253-E257 PolarHBondContact O-N 2.8Å; Y253-E257 PolarHBondContact OH-OE1 2.72Å; Y253-H286 VanDerWaalsContact OH-CB 3.32Å; Y253-H286 WeakPolarHBondContact OH-CB 3.45Å; Y253-D380 WeakPolarHBondContact CB-OD1 3.19Å; Y253-D380 VanDerWaalsContact CB-OD2 3.3Å; Y253-D380 WeakPolarHBondContact CB-OD2 3.34Å; Y253-D380 PolarHBondContact N-OD1 3.2Å; Y253-D380 PolarHBondContact N-OD2 3.11Å |
| 254 | E | 95.6 | Very high | 94.3 | Very high | 35 Ų | 35 | 19 Ų | 19 | 16% | 0.164 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.6 | -37 | -178.8 | -176.6 | -179.8 | 117.9 | 0 | 0 | 112.1 | P252 E257 R258 V291 R387 | P252-E254 VanDerWaalsContact C-N 3.32Å; P252-E254 PolarHBondContact O-N 3.21Å; E254-E257 PolarHBondContact O-N 2.94Å; E254-R258 WeakPolarHBondContact O-CG 3.36Å; E254-R258 PolarHBondContact O-N 2.81Å; E254-V291 HydrophobicContact CG-CB 4.32Å; E254-V291 HydrophobicContact CG-CG2 4.14Å; E254-V291 WeakPolarHBondContact OE1-CB 3.14Å; E254-V291 WeakPolarHBondContact OE1-CG2 3.38Å; E254-V291 WeakPolarHBondContact OE2-CG2 3.28Å; E254-R387 IonicContact OE2-CZ 3.06Å; E254-R387 IonicContact OE2-NH1 2.65Å; E254-R387 PolarHBondContact OE2-NH1 2.96Å |
| 255 | V | 96.3 | Very high | 95 | Very high | 38 Ų | 38 | 13.6 Ų | 13.6 | 23% | 0.23 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.5 | -48.1 | 178.9 | 172 | 0 | 0 | 0 | 0 | 110.3 | I251 P252 Y253 E257 R258 W259 | I251-V255 HydrophobicContact CG2-CB 4.48Å; I251-V255 HydrophobicContact CG2-CG1 4.28Å; P252-V255 HydrophobicContact CB-CB 4.33Å; P252-V255 HydrophobicContact CB-CG2 3.99Å; P252-V255 HydrophobicContact CG-CG2 4.1Å; P252-V255 PolarHBondContact O-N 2.64Å; Y253-V255 PolarHBondContact O-N 3.31Å; V255-E257 PolarHBondContact O-N 2.78Å; V255-R258 PolarHBondContact O-N 3.47Å; V255-W259 HydrophobicContact CG1-CD2 3.98Å; V255-W259 HydrophobicContact CG1-CE3 4.41Å; V255-W259 HydrophobicContact CG1-CH2 3.6Å; V255-W259 HydrophobicContact CG1-CZ2 3.11Å; V255-W259 HydrophobicContact CG1-CZ3 4.25Å; V255-W259 VanDerWaalsContact O-CG 3.22Å; V255-W259 PolarHBondContact O-N 3.44Å |
| 256 | M | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.4 | -40.1 | 175 | -66.4 | -176.1 | -76.8 | 0 | 0 | 112.3 | F211 Y212 R215 I251 P252 Y253 R258 W259 V260 | F211-M256 HydrophobicContact CB-SD 4.42Å; Y212-M256 HydrophobicContact CD2-CB 3.61Å; Y212-M256 HydrophobicContact CD2-SD 4.26Å; Y212-M256 HydrophobicContact CE2-CB 3.95Å; R215-M256 HydrophobicContact CB-CE 4Å; R215-M256 HydrophobicContact CG-CE 3.83Å; I251-M256 HydrophobicContact CB-CG 4.38Å; I251-M256 HydrophobicContact CB-SD 4.38Å; I251-M256 HydrophobicContact CG2-CE 4.5Å; I251-M256 HydrophobicContact CG2-CG 3.56Å; I251-M256 HydrophobicContact CG2-SD 4.19Å; I251-M256 WeakPolarHBondContact O-CE 3.32Å; P252-M256 PolarHBondContact O-N 3Å; Y253-M256 PolarHBondContact O-N 3Å; M256-R258 VanDerWaalsContact C-N 3.35Å; M256-R258 PolarHBondContact O-N 2.87Å; M256-W259 HydrophobicContact CB-CE3 4.5Å; M256-W259 HydrophobicContact CG-CE3 4.12Å; M256-W259 HydrophobicContact CG-CZ3 4.06Å; M256-W259 PolarHBondContact O-N 3.02Å; M256-V260 WeakPolarHBondContact O-CB 3.5Å; M256-V260 VanDerWaalsContact O-CG2 3.32Å; M256-V260 WeakPolarHBondContact O-CG2 3.21Å; M256-V260 PolarHBondContact O-N 3Å |
| 257 | E | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -57.1 | -48.1 | 174.9 | 176.4 | 176.7 | -100.5 | 0 | 0 | 110.6 | Y253 E254 V255 V260 V261 S287 V290 R387 | Y253-E257 HydrophobicContact CE1-CB 4.21Å; Y253-E257 WeakPolarHBondContact CE1-OE1 3.3Å; Y253-E257 WeakPolarHBondContact O-CB 3.35Å; Y253-E257 PolarHBondContact O-N 2.8Å; Y253-E257 PolarHBondContact OH-OE1 2.72Å; E254-E257 PolarHBondContact O-N 2.94Å; V255-E257 PolarHBondContact O-N 2.78Å; E257-V260 PolarHBondContact O-N 3.35Å; E257-V261 HydrophobicContact CG-CG2 4.3Å; E257-V261 VanDerWaalsContact O-CB 3.26Å; E257-V261 WeakPolarHBondContact O-CB 3.34Å; E257-V261 WeakPolarHBondContact O-CG2 2.99Å; E257-V261 PolarHBondContact O-N 2.77Å; E257-S287 WeakPolarHBondContact OE1-CB 3.36Å; E257-V290 HydrophobicContact CG-CG1 4.48Å; E257-V290 HydrophobicContact CG-CG2 4.29Å; E257-R387 IonicContact OE2-CZ 2.8Å; E257-R387 IonicContact OE2-NH2 3.5Å; E257-R387 PolarHBondContact OE2-NH2 2.91Å |
| 258 | R | 97.7 | Very high | 96.3 | Very high | 29 Ų | 29 | 11.4 Ų | 11.4 | 11% | 0.109 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 176.4 | -74.6 | 175.3 | 58.7 | -164.6 | -7.8 | 112.1 | S135 N136 E254 V255 M256 V260 V261 F262 V290 V291 | S135-R258 PolarHBondContact OG-NH2 3.34Å; N136-R258 PolarHBondContact OD1-NH2 2.87Å; E254-R258 WeakPolarHBondContact O-CG 3.36Å; E254-R258 PolarHBondContact O-N 2.81Å; V255-R258 PolarHBondContact O-N 3.47Å; M256-R258 VanDerWaalsContact C-N 3.35Å; M256-R258 PolarHBondContact O-N 2.87Å; R258-V260 PolarHBondContact O-N 2.82Å; R258-V261 PolarHBondContact O-N 3.35Å; R258-F262 HydrophobicContact CB-CD2 4.16Å; R258-F262 HydrophobicContact CB-CE2 4.02Å; R258-F262 HydrophobicContact CG-CE2 3.99Å; R258-F262 HydrophobicContact CG-CZ 4.29Å; R258-F262 VanDerWaalsContact O-CB 3.26Å; R258-F262 WeakPolarHBondContact O-CB 3.3Å; R258-F262 VanDerWaalsContact O-CG 3.31Å; R258-F262 WeakPolarHBondContact O-CG 3.31Å; R258-F262 PolarHBondContact O-N 3.49Å; R258-V290 HydrophobicContact CG-CG1 4Å; R258-V291 WeakPolarHBondContact CD-O 3.39Å; R258-V291 WeakPolarHBondContact CG-O 3.45Å |
| 259 | W | 98.4 | Very high | 96.4 | Very high | 7 Ų | 7 | 13.4 Ų | 13.4 | 3% | 0.027 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.1 | -48.8 | 177.6 | -61.8 | -20.1 | 0 | 0 | 0 | 111.9 | R128 L131 E132 L205 L208 I251 V255 M256 G263 | R128-W259 HydrophobicContact CG-CH2 3.79Å; R128-W259 HydrophobicContact CG-CZ2 4.09Å; L131-W259 HydrophobicContact CB-CB 4.37Å; L131-W259 HydrophobicContact CB-CD2 3.66Å; L131-W259 HydrophobicContact CB-CE3 4.15Å; L131-W259 HydrophobicContact CB-CG 3.78Å; L131-W259 HydrophobicContact CB-CZ2 4.39Å; L131-W259 HydrophobicContact CD1-CD2 4.12Å; L131-W259 HydrophobicContact CD1-CE3 3.75Å; L131-W259 HydrophobicContact CD1-CZ3 4.21Å; L131-W259 HydrophobicContact CG-CD2 4.48Å; E132-W259 HydrophobicContact CB-CZ2 4.42Å; L205-W259 HydrophobicContact CD2-CB 4.31Å; L205-W259 WeakPolarHBondContact CD2-O 3.45Å; L208-W259 HydrophobicContact CD1-CB 4.45Å; L208-W259 HydrophobicContact CD1-CE3 3.89Å; L208-W259 HydrophobicContact CD2-CE3 4.06Å; L208-W259 HydrophobicContact CD2-CZ3 4.01Å; I251-W259 HydrophobicContact CD1-CH2 4.43Å; I251-W259 HydrophobicContact CD1-CZ3 4.27Å; I251-W259 HydrophobicContact CG2-CH2 3.69Å; I251-W259 HydrophobicContact CG2-CZ3 3.77Å; V255-W259 HydrophobicContact CG1-CD2 3.98Å; V255-W259 HydrophobicContact CG1-CE3 4.41Å; V255-W259 HydrophobicContact CG1-CH2 3.6Å; V255-W259 HydrophobicContact CG1-CZ2 3.11Å; V255-W259 HydrophobicContact CG1-CZ3 4.25Å; V255-W259 VanDerWaalsContact O-CG 3.22Å; V255-W259 PolarHBondContact O-N 3.44Å; M256-W259 HydrophobicContact CB-CE3 4.5Å; M256-W259 HydrophobicContact CG-CE3 4.12Å; M256-W259 HydrophobicContact CG-CZ3 4.06Å; M256-W259 PolarHBondContact O-N 3.02Å; W259-G263 VanDerWaalsContact O-CA 3.24Å; W259-G263 WeakPolarHBondContact O-CA 3.3Å; W259-G263 PolarHBondContact O-N 3.12Å |
| 260 | V | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.4 | -49.3 | 179.6 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | L208 Y212 M256 E257 R258 Y264 R279 A283 | L208-V260 HydrophobicContact CD1-CG2 4.18Å; Y212-V260 HydrophobicContact CD1-CG2 4.49Å; Y212-V260 HydrophobicContact CE1-CG2 4.41Å; M256-V260 WeakPolarHBondContact O-CB 3.5Å; M256-V260 VanDerWaalsContact O-CG2 3.32Å; M256-V260 WeakPolarHBondContact O-CG2 3.21Å; M256-V260 PolarHBondContact O-N 3Å; E257-V260 PolarHBondContact O-N 3.35Å; R258-V260 PolarHBondContact O-N 2.82Å; V260-Y264 HydrophobicContact CG1-CD2 3.92Å; V260-Y264 HydrophobicContact CG1-CE2 4.17Å; V260-Y264 WeakPolarHBondContact O-CB 3.46Å; V260-Y264 VanDerWaalsContact O-CD2 3.25Å; V260-Y264 WeakPolarHBondContact O-CD2 3.07Å; V260-Y264 PolarHBondContact O-N 2.72Å; V260-R279 HydrophobicContact CG1-CB 4.42Å; V260-A283 HydrophobicContact CG1-CB 4.36Å |
| 261 | V | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.9 | -54.2 | -175.8 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | E257 R258 L265 L280 A283 V290 I300 | E257-V261 HydrophobicContact CG-CG2 4.3Å; E257-V261 VanDerWaalsContact O-CB 3.26Å; E257-V261 WeakPolarHBondContact O-CB 3.34Å; E257-V261 WeakPolarHBondContact O-CG2 2.99Å; E257-V261 PolarHBondContact O-N 2.77Å; R258-V261 PolarHBondContact O-N 3.35Å; V261-L265 VanDerWaalsContact O-CB 3.26Å; V261-L265 WeakPolarHBondContact O-CB 3.49Å; V261-L265 PolarHBondContact O-N 3.31Å; V261-L280 HydrophobicContact CG2-CD1 4.31Å; V261-A283 HydrophobicContact CG2-CB 3.74Å; V261-V290 HydrophobicContact CG1-CG2 4.41Å; V261-V290 HydrophobicContact CG2-CG2 4.29Å; V261-I300 HydrophobicContact CG1-CD1 3.28Å; V261-I300 HydrophobicContact CG1-CG1 3.59Å |
| 262 | F | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69.7 | -39.9 | -177.9 | -58.2 | -20.5 | 0 | 0 | 0 | 111.2 | S135 F138 R258 L265 L266 V290 V291 L292 I298 | S135-F262 WeakPolarHBondContact OG-CD2 3.39Å; F138-F262 HydrophobicContact CB-CB 4.23Å; F138-F262 HydrophobicContact CB-CD2 4.36Å; F138-F262 HydrophobicContact CB-CG 4.43Å; F138-F262 HydrophobicContact CD1-CB 3.94Å; F138-F262 AromaticContact CD1-CD1 3.58Å; F138-F262 HydrophobicContact CD1-CD1 3.58Å; F138-F262 AromaticContact CD1-CD2 3.45Å; F138-F262 HydrophobicContact CD1-CD2 3.45Å; F138-F262 VanDerWaalsContact CD1-CD2 3.45Å; F138-F262 AromaticContact CD1-CE1 3.89Å; F138-F262 HydrophobicContact CD1-CE1 3.89Å; F138-F262 AromaticContact CD1-CE2 3.74Å; F138-F262 HydrophobicContact CD1-CE2 3.74Å; F138-F262 AromaticContact CD1-CG 3.37Å; F138-F262 HydrophobicContact CD1-CG 3.37Å; F138-F262 AromaticContact CD1-CZ 3.96Å; F138-F262 HydrophobicContact CD1-CZ 3.96Å; F138-F262 HydrophobicContact CD2-CB 4.43Å; F138-F262 HydrophobicContact CE1-CB 4.46Å; F138-F262 AromaticContact CE1-CD1 3.37Å; F138-F262 HydrophobicContact CE1-CD1 3.37Å; F138-F262 HydrophobicContact CE1-CD2 4.08Å; F138-F262 AromaticContact CE1-CE1 3.46Å; F138-F262 HydrophobicContact CE1-CE1 3.46Å; F138-F262 VanDerWaalsContact CE1-CE1 3.46Å; F138-F262 HydrophobicContact CE1-CE2 4.13Å; F138-F262 AromaticContact CE1-CG 3.72Å; F138-F262 HydrophobicContact CE1-CG 3.72Å; F138-F262 AromaticContact CE1-CZ 3.85Å; F138-F262 HydrophobicContact CE1-CZ 3.85Å; F138-F262 HydrophobicContact CG-CB 3.93Å; F138-F262 HydrophobicContact CG-CD1 4.36Å; F138-F262 HydrophobicContact CG-CD2 4.14Å; F138-F262 AromaticContact CG-CG 3.91Å; F138-F262 HydrophobicContact CG-CG 3.91Å; F138-F262 AromaticContact CZ-CD1 4Å; F138-F262 HydrophobicContact CZ-CD1 4Å; F138-F262 HydrophobicContact CZ-CE1 4.31Å; F138-F262 HydrophobicContact CZ-CG 4.49Å; R258-F262 HydrophobicContact CB-CD2 4.16Å; R258-F262 HydrophobicContact CB-CE2 4.02Å; R258-F262 HydrophobicContact CG-CE2 3.99Å; R258-F262 HydrophobicContact CG-CZ 4.29Å; R258-F262 VanDerWaalsContact O-CB 3.26Å; R258-F262 WeakPolarHBondContact O-CB 3.3Å; R258-F262 VanDerWaalsContact O-CG 3.31Å; R258-F262 WeakPolarHBondContact O-CG 3.31Å; R258-F262 PolarHBondContact O-N 3.49Å; F262-L265 PolarHBondContact O-N 3.46Å; F262-L266 VanDerWaalsContact O-CG 3.22Å; F262-L266 WeakPolarHBondContact O-CG 3.49Å; F262-L266 PolarHBondContact O-N 2.86Å; F262-V290 HydrophobicContact CE1-CG1 4.01Å; F262-V290 HydrophobicContact CZ-CG1 4.02Å; F262-V291 WeakPolarHBondContact CZ-O 3.49Å; F262-L292 HydrophobicContact CZ-CD1 4.48Å; F262-I298 HydrophobicContact CE1-CD1 3.93Å; F262-I298 HydrophobicContact CZ-CD1 4.27Å |
| 263 | G | 98.2 | Very high | 96.3 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 3% | 0.031 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.6 | -58.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | W259 L265 L266 I267 | W259-G263 VanDerWaalsContact O-CA 3.24Å; W259-G263 WeakPolarHBondContact O-CA 3.3Å; W259-G263 PolarHBondContact O-N 3.12Å; G263-L265 VanDerWaalsContact C-N 3.28Å; G263-L265 PolarHBondContact O-N 2.74Å; G263-L266 WeakPolarHBondContact O-CB 3.48Å; G263-L266 PolarHBondContact O-N 3.33Å; G263-L266 VanDerWaalsContact O-N 3.1Å; G263-I267 WeakPolarHBondContact O-CG1 3.33Å; G263-I267 PolarHBondContact O-N 2.78Å; G263-I267 VanDerWaalsContact O-N 3.1Å |
| 264 | Y | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.3 | -23.8 | -179.6 | -76.7 | -55.6 | 0 | 0 | 0 | 114.5 | L205 V260 L266 I267 Y268 L271 S276 R279 L280 | L205-Y264 HydrophobicContact CB-CE2 4.31Å; L205-Y264 HydrophobicContact CD1-CD1 4.11Å; L205-Y264 HydrophobicContact CD1-CD2 4.15Å; L205-Y264 HydrophobicContact CD1-CE1 3.98Å; L205-Y264 HydrophobicContact CD1-CE2 4.05Å; L205-Y264 HydrophobicContact CD1-CG 4.17Å; V260-Y264 HydrophobicContact CG1-CD2 3.92Å; V260-Y264 HydrophobicContact CG1-CE2 4.17Å; V260-Y264 WeakPolarHBondContact O-CB 3.46Å; V260-Y264 VanDerWaalsContact O-CD2 3.25Å; V260-Y264 WeakPolarHBondContact O-CD2 3.07Å; V260-Y264 PolarHBondContact O-N 2.72Å; Y264-L266 VanDerWaalsContact C-N 3.34Å; Y264-I267 HydrophobicContact CD1-CD1 4.38Å; Y264-I267 HydrophobicContact CD1-CG1 4.34Å; Y264-I267 CarbonylContact O-C 3.5Å; Y264-Y268 WeakPolarHBondContact O-CA 3.27Å; Y264-Y268 PolarHBondContact O-N 3.46Å; Y264-L271 HydrophobicContact CD1-CD2 3.85Å; Y264-L271 HydrophobicContact CD1-CG 4.45Å; Y264-L271 HydrophobicContact CD2-CD2 4.47Å; Y264-L271 HydrophobicContact CG-CD2 3.82Å; Y264-S276 PolarHBondContact OH-OG 3.5Å; Y264-R279 HydrophobicContact CE2-CB 3.99Å; Y264-R279 PolarHBondContact OH-NE 3.41Å; Y264-R279 PolarHBondContact OH-NH2 2.9Å; Y264-L280 HydrophobicContact CD2-CB 4.17Å |
| 265 | L | 95 | Very high | 96.1 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | 171.5 | -168.5 | 68.8 | 0 | 0 | 0 | 111.2 | F138 L187 V261 F262 G263 L303 L304 F307 | F138-L265 HydrophobicContact CE2-CD2 3.9Å; F138-L265 HydrophobicContact CZ-CD2 3.95Å; L187-L265 HydrophobicContact CD1-CD2 3.55Å; L187-L265 HydrophobicContact CD1-CG 3.83Å; L187-L265 HydrophobicContact CD2-CD1 4.18Å; L187-L265 HydrophobicContact CD2-CD2 3.88Å; L187-L265 HydrophobicContact CD2-CG 4.11Å; L187-L265 HydrophobicContact CG-CD2 4.36Å; L187-L265 HydrophobicContact CG-CG 4.48Å; V261-L265 VanDerWaalsContact O-CB 3.26Å; V261-L265 WeakPolarHBondContact O-CB 3.49Å; V261-L265 PolarHBondContact O-N 3.31Å; F262-L265 PolarHBondContact O-N 3.46Å; G263-L265 VanDerWaalsContact C-N 3.28Å; G263-L265 PolarHBondContact O-N 2.74Å; L265-L303 HydrophobicContact CD2-CD2 4.15Å; L265-L304 HydrophobicContact CD1-CD1 4.19Å; L265-L304 HydrophobicContact CD1-CG 4.41Å; L265-F307 HydrophobicContact CD1-CD1 3.85Å; L265-F307 HydrophobicContact CD1-CE1 4.31Å |
| 266 | L | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.8 | -27.5 | 177.6 | -67.7 | 168 | 0 | 0 | 0 | 113.3 | V134 F138 L190 H191 I194 F262 G263 Y264 | V134-L266 HydrophobicContact CG1-CD1 3.85Å; F138-L266 HydrophobicContact CB-CD1 4.38Å; F138-L266 HydrophobicContact CD2-CD1 4.4Å; F138-L266 HydrophobicContact CD2-CD2 4.12Å; F138-L266 HydrophobicContact CD2-CG 4.28Å; L190-L266 HydrophobicContact CB-CD2 3.48Å; L190-L266 VanDerWaalsContact CB-CD2 3.48Å; H191-L266 PolarHBondContact ND1-O 2.91Å; I194-L266 HydrophobicContact CB-CB 4.18Å; I194-L266 HydrophobicContact CG1-CD1 4.16Å; I194-L266 HydrophobicContact CG1-CD2 4.18Å; I194-L266 HydrophobicContact CG2-CB 4Å; I194-L266 HydrophobicContact CG2-CD1 4.34Å; F262-L266 VanDerWaalsContact O-CG 3.22Å; F262-L266 WeakPolarHBondContact O-CG 3.49Å; F262-L266 PolarHBondContact O-N 2.86Å; G263-L266 WeakPolarHBondContact O-CB 3.48Å; G263-L266 PolarHBondContact O-N 3.33Å; G263-L266 VanDerWaalsContact O-N 3.1Å; Y264-L266 VanDerWaalsContact C-N 3.34Å |
| 267 | I | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123 | 39.3 | -179.7 | 59.6 | 161.2 | 0 | 0 | 0 | 111.9 | I194 L201 L205 G263 Y264 P269 E270 | I194-I267 HydrophobicContact CG2-CG2 4.23Å; L201-I267 HydrophobicContact CB-CD1 4.2Å; L201-I267 HydrophobicContact CD2-CD1 4.16Å; L201-I267 HydrophobicContact CD2-CG1 4.15Å; L201-I267 HydrophobicContact CD2-CG2 3.93Å; L201-I267 HydrophobicContact CG-CD1 3.99Å; L201-I267 HydrophobicContact CG-CG1 4.5Å; L205-I267 HydrophobicContact CD1-CD1 4.28Å; G263-I267 WeakPolarHBondContact O-CG1 3.33Å; G263-I267 PolarHBondContact O-N 2.78Å; G263-I267 VanDerWaalsContact O-N 3.1Å; Y264-I267 HydrophobicContact CD1-CD1 4.38Å; Y264-I267 HydrophobicContact CD1-CG1 4.34Å; Y264-I267 CarbonylContact O-C 3.5Å; I267-P269 VanDerWaalsContact C-N 3.26Å; I267-P269 WeakPolarHBondContact O-CD 3.3Å; I267-E270 HydrophobicContact CB-CG 4.43Å; I267-E270 HydrophobicContact CD1-CB 4.44Å; I267-E270 HydrophobicContact CD1-CG 4.12Å; I267-E270 WeakPolarHBondContact O-CB 3.1Å; I267-E270 PolarHBondContact O-N 3.42Å |
| 268 | Y | 95.5 | Very high | 95.9 | Very high | 33 Ų | 33 | 28.5 Ų | 28.5 | 13% | 0.129 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -52.8 | -27.4 | -174 | 80.6 | -92.6 | 0 | 0 | 0 | 116.1 | H191 Y264 E270 L271 F307 L308 W312 | H191-Y268 AromaticContact CD2-CE1 3.78Å; H191-Y268 AromaticContact CE1-CD1 3.75Å; H191-Y268 AromaticContact CE1-CE1 3.43Å; H191-Y268 VanDerWaalsContact CE1-CE1 3.43Å; H191-Y268 WeakPolarHBondContact CE1-CE1 3.33Å; H191-Y268 AromaticContact CG-CE1 3.98Å; H191-Y268 AromaticContact ND1-CD1 3.79Å; H191-Y268 AromaticContact ND1-CE1 3.77Å; H191-Y268 AromaticContact NE2-CE1 3.42Å; H191-Y268 WeakPolarHBondContact NE2-CE1 3.4Å; Y264-Y268 WeakPolarHBondContact O-CA 3.27Å; Y264-Y268 PolarHBondContact O-N 3.46Å; Y268-E270 PolarHBondContact O-N 2.88Å; Y268-E270 VanDerWaalsContact O-N 3.16Å; Y268-L271 WeakPolarHBondContact O-CB 3.48Å; Y268-L271 WeakPolarHBondContact O-CG 3.44Å; Y268-L271 PolarHBondContact O-N 3.41Å; Y268-F307 AromaticContact CD1-CE1 3.74Å; Y268-F307 HydrophobicContact CD1-CE1 3.74Å; Y268-F307 HydrophobicContact CD1-CZ 4.12Å; Y268-F307 HydrophobicContact CE1-CE1 4.17Å; Y268-F307 HydrophobicContact CE1-CZ 4.16Å; Y268-F307 HydrophobicContact CG-CE1 4.37Å; Y268-L308 HydrophobicContact CD2-CD2 3.88Å; Y268-L308 HydrophobicContact CG-CD2 3.88Å; Y268-W312 HydrophobicContact CD2-CB 4.35Å; Y268-W312 HydrophobicContact CD2-CD2 4.31Å; Y268-W312 HydrophobicContact CD2-CE3 4.41Å; Y268-W312 HydrophobicContact CD2-CG 4.32Å; Y268-W312 HydrophobicContact CE2-CB 4.02Å; Y268-W312 HydrophobicContact CE2-CG 4.12Å |
| 269 | P | 94.1 | Very high | 95.7 | Very high | 49 Ų | 49 | 27.8 Ų | 27.8 | 32% | 0.318 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -58.1 | -28 | 175.4 | -27.1 | 38 | 0 | 0 | 0 | 113.4 | I267 L271 T272 | I267-P269 VanDerWaalsContact C-N 3.26Å; I267-P269 WeakPolarHBondContact O-CD 3.3Å; P269-L271 PolarHBondContact O-N 3.33Å; P269-T272 WeakPolarHBondContact O-CB 3.42Å; P269-T272 PolarHBondContact O-N 2.91Å; P269-T272 PolarHBondContact O-OG1 3.03Å |
| 270 | E | 94.9 | Very high | 95.6 | Very high | 58 Ų | 58 | 27.5 Ų | 27.5 | 27% | 0.271 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -66.2 | -17.7 | 174.4 | -66.4 | -68.3 | 140.3 | 0 | 0 | 112.7 | R206 I267 Y268 T272 D273 | R206-E270 IonicContact NH2-OE2 3.92Å; I267-E270 HydrophobicContact CB-CG 4.43Å; I267-E270 HydrophobicContact CD1-CB 4.44Å; I267-E270 HydrophobicContact CD1-CG 4.12Å; I267-E270 WeakPolarHBondContact O-CB 3.1Å; I267-E270 PolarHBondContact O-N 3.42Å; Y268-E270 PolarHBondContact O-N 2.88Å; Y268-E270 VanDerWaalsContact O-N 3.16Å; E270-T272 PolarHBondContact O-N 3.43Å; E270-T272 VanDerWaalsContact O-N 3.12Å; E270-D273 VanDerWaalsContact O-CB 3.29Å; E270-D273 WeakPolarHBondContact O-CB 3.33Å; E270-D273 PolarHBondContact O-N 3.46Å |
| 271 | L | 94.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -70.3 | -3.6 | 174.9 | -62.8 | 172.4 | 0 | 0 | 0 | 113.6 | Y264 Y268 P269 F277 L280 W312 | Y264-L271 HydrophobicContact CD1-CD2 3.85Å; Y264-L271 HydrophobicContact CD1-CG 4.45Å; Y264-L271 HydrophobicContact CD2-CD2 4.47Å; Y264-L271 HydrophobicContact CG-CD2 3.82Å; Y268-L271 WeakPolarHBondContact O-CB 3.48Å; Y268-L271 WeakPolarHBondContact O-CG 3.44Å; Y268-L271 PolarHBondContact O-N 3.41Å; P269-L271 PolarHBondContact O-N 3.33Å; L271-F277 HydrophobicContact CB-CD2 4.39Å; L271-F277 HydrophobicContact CD2-CD2 4.44Å; L271-L280 HydrophobicContact CD1-CD2 3.55Å; L271-L280 HydrophobicContact CD2-CB 4.05Å; L271-L280 HydrophobicContact CD2-CD2 3.68Å; L271-L280 HydrophobicContact CG-CD2 4.28Å; L271-W312 HydrophobicContact CB-CH2 3.71Å; L271-W312 HydrophobicContact CB-CZ3 3.87Å; L271-W312 HydrophobicContact CD1-CZ3 4.45Å |
| 272 | T | 92.5 | Very high | 95.4 | Very high | 73 Ų | 73 | 29.5 Ų | 29.5 | 45% | 0.448 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -61.6 | -35.3 | 165.9 | -52.9 | 0 | 0 | 0 | 0 | 110.3 | P269 E270 V316 | P269-T272 WeakPolarHBondContact O-CB 3.42Å; P269-T272 PolarHBondContact O-N 2.91Å; P269-T272 PolarHBondContact O-OG1 3.03Å; E270-T272 PolarHBondContact O-N 3.43Å; E270-T272 VanDerWaalsContact O-N 3.12Å; T272-V316 HydrophobicContact CG2-CG1 4.24Å |
| 273 | D | 93.8 | Very high | 95.2 | Very high | 59 Ų | 59 | 29.6 Ų | 29.6 | 32% | 0.316 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -67.9 | 134 | 173.3 | 172.3 | 60.6 | 0 | 0 | 0 | 111.4 | E270 S276 F277 | E270-D273 VanDerWaalsContact O-CB 3.29Å; E270-D273 WeakPolarHBondContact O-CB 3.33Å; E270-D273 PolarHBondContact O-N 3.46Å; D273-S276 VanDerWaalsContact OD2-CB 3.28Å; D273-S276 WeakPolarHBondContact OD2-CB 3.3Å; D273-S276 PolarHBondContact OD2-N 3.1Å; D273-S276 PolarHBondContact OD2-OG 3.25Å; D273-F277 WeakPolarHBondContact O-CB 3.48Å; D273-F277 PolarHBondContact O-N 3.06Å |
| 274 | E | 93.2 | Very high | 95.1 | Very high | 123 Ų | 123 | 29.4 Ų | 29.4 | 58% | 0.575 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -70.1 | -40 | -172.7 | -172.6 | 170.7 | -179.4 | 0 | 0 | 112.6 | S276 F277 N278 | E274-S276 VanDerWaalsContact C-N 3.34Å; E274-S276 PolarHBondContact O-N 3.28Å; E274-F277 PolarHBondContact O-N 3.41Å; E274-N278 WeakPolarHBondContact O-CB 3.2Å; E274-N278 PolarHBondContact O-N 2.85Å; E274-N278 PolarHBondContact O-ND2 2.84Å |
| 275 | D | 94.7 | Very high | 95 | Very high | 99 Ų | 99 | 33.9 Ų | 33.9 | 53% | 0.529 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.7 | -41.7 | 178.4 | -66.6 | -31.2 | 0 | 0 | 0 | 111.2 | N278 R279 | D275-N278 PolarHBondContact O-N 3.22Å; D275-R279 VanDerWaalsContact C-NH2 3.3Å; D275-R279 PolarHBondContact O-N 3.45Å; D275-R279 VanDerWaalsContact O-N 3.07Å; D275-R279 PolarHBondContact O-NH2 2.76Å |
| 276 | S | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -43.2 | 176.4 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | Y264 D273 E274 R279 L280 | Y264-S276 PolarHBondContact OH-OG 3.5Å; D273-S276 VanDerWaalsContact OD2-CB 3.28Å; D273-S276 WeakPolarHBondContact OD2-CB 3.3Å; D273-S276 PolarHBondContact OD2-N 3.1Å; D273-S276 PolarHBondContact OD2-OG 3.25Å; E274-S276 VanDerWaalsContact C-N 3.34Å; E274-S276 PolarHBondContact O-N 3.28Å; S276-R279 VanDerWaalsContact N-NH2 3.13Å; S276-R279 PolarHBondContact O-N 3Å; S276-R279 PolarHBondContact OG-NH2 3.45Å; S276-R279 VanDerWaalsContact OG-NH2 3.07Å; S276-L280 PolarHBondContact O-N 2.96Å |
| 277 | F | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | 172.9 | -174.3 | -104.8 | 0 | 0 | 0 | 112.6 | L271 D273 E274 R279 L280 K281 R320 E323 I324 | L271-F277 HydrophobicContact CB-CD2 4.39Å; L271-F277 HydrophobicContact CD2-CD2 4.44Å; D273-F277 WeakPolarHBondContact O-CB 3.48Å; D273-F277 PolarHBondContact O-N 3.06Å; E274-F277 PolarHBondContact O-N 3.41Å; F277-R279 PolarHBondContact O-N 2.78Å; F277-L280 PolarHBondContact O-N 2.8Å; F277-K281 HydrophobicContact CD1-CD 4.43Å; F277-K281 HydrophobicContact CE1-CB 4.39Å; F277-K281 HydrophobicContact CE1-CD 3.94Å; F277-K281 HydrophobicContact CE1-CG 4.41Å; F277-K281 VanDerWaalsContact O-CB 3.27Å; F277-K281 WeakPolarHBondContact O-CB 3.39Å; F277-K281 PolarHBondContact O-N 3.14Å; F277-R320 VanDerWaalsContact CD1-NH1 3.27Å; F277-R320 HydrophobicContact CD2-CB 4.18Å; F277-R320 HydrophobicContact CD2-CG 4.04Å; F277-R320 HydrophobicContact CE2-CB 3.65Å; F277-R320 HydrophobicContact CE2-CG 3.98Å; F277-R320 HydrophobicContact CG-CG 4.42Å; F277-R320 HydrophobicContact CZ-CB 3.95Å; F277-R320 HydrophobicContact CZ-CG 4.29Å; F277-E323 HydrophobicContact CE1-CB 4Å; F277-E323 WeakPolarHBondContact CE1-OE2 3.33Å; F277-E323 HydrophobicContact CZ-CB 3.91Å; F277-I324 HydrophobicContact CE2-CD1 3.95Å; F277-I324 HydrophobicContact CE2-CG1 4.06Å; F277-I324 HydrophobicContact CZ-CD1 4.4Å; F277-I324 HydrophobicContact CZ-CG1 4.09Å |
| 278 | N | 95 | Very high | 94.7 | Very high | 61 Ų | 61 | 35.1 Ų | 35.1 | 33% | 0.326 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.6 | -40 | 179.9 | -78.5 | -29.8 | 0 | 0 | 0 | 112.4 | E274 D275 K281 V282 | E274-N278 WeakPolarHBondContact O-CB 3.2Å; E274-N278 PolarHBondContact O-N 2.85Å; E274-N278 PolarHBondContact O-ND2 2.84Å; D275-N278 PolarHBondContact O-N 3.22Å; N278-K281 WeakPolarHBondContact O-CB 3.47Å; N278-K281 PolarHBondContact O-N 3.46Å; N278-V282 WeakPolarHBondContact O-CG2 3.44Å; N278-V282 PolarHBondContact O-N 2.99Å |
| 279 | R | 94.5 | Very high | 94.7 | Very high | 14 Ų | 14 | 33.5 Ų | 33.5 | 5% | 0.053 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.1 | -47.8 | 173.7 | -79.4 | -179.4 | -72.5 | -82.1 | -4.1 | 112.1 | R206 V260 Y264 D275 S276 F277 K281 V282 A283 | R206-R279 VanDerWaalsContact CG-NH2 3.33Å; V260-R279 HydrophobicContact CG1-CB 4.42Å; Y264-R279 HydrophobicContact CE2-CB 3.99Å; Y264-R279 PolarHBondContact OH-NE 3.41Å; Y264-R279 PolarHBondContact OH-NH2 2.9Å; D275-R279 VanDerWaalsContact C-NH2 3.3Å; D275-R279 PolarHBondContact O-N 3.45Å; D275-R279 VanDerWaalsContact O-N 3.07Å; D275-R279 PolarHBondContact O-NH2 2.76Å; S276-R279 VanDerWaalsContact N-NH2 3.13Å; S276-R279 PolarHBondContact O-N 3Å; S276-R279 PolarHBondContact OG-NH2 3.45Å; S276-R279 VanDerWaalsContact OG-NH2 3.07Å; F277-R279 PolarHBondContact O-N 2.78Å; R279-K281 VanDerWaalsContact C-N 3.33Å; R279-K281 PolarHBondContact O-N 2.67Å; R279-V282 PolarHBondContact O-N 3.03Å; R279-A283 PolarHBondContact O-N 2.8Å |
| 280 | L | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 174.1 | 178.8 | 64.5 | 0 | 0 | 0 | 111.5 | V261 Y264 L271 S276 F277 V282 A283 L284 L304 | V261-L280 HydrophobicContact CG2-CD1 4.31Å; Y264-L280 HydrophobicContact CD2-CB 4.17Å; L271-L280 HydrophobicContact CD1-CD2 3.55Å; L271-L280 HydrophobicContact CD2-CB 4.05Å; L271-L280 HydrophobicContact CD2-CD2 3.68Å; L271-L280 HydrophobicContact CG-CD2 4.28Å; S276-L280 PolarHBondContact O-N 2.96Å; F277-L280 PolarHBondContact O-N 2.8Å; L280-V282 VanDerWaalsContact C-N 3.3Å; L280-V282 PolarHBondContact O-N 3.4Å; L280-A283 WeakPolarHBondContact O-CB 3.43Å; L280-A283 PolarHBondContact O-N 2.91Å; L280-A283 VanDerWaalsContact O-N 3.15Å; L280-L284 HydrophobicContact CD1-CD1 4.35Å; L280-L284 HydrophobicContact CD1-CG 4.29Å; L280-L284 HydrophobicContact CD2-CD1 4.45Å; L280-L284 HydrophobicContact CG-CD1 3.96Å; L280-L284 HydrophobicContact CG-CG 4.32Å; L280-L284 WeakPolarHBondContact O-CG 3.38Å; L280-L284 PolarHBondContact O-N 3.4Å; L280-L304 HydrophobicContact CD1-CD1 4.45Å; L280-L304 HydrophobicContact CD2-CD1 4.09Å |
| 281 | K | 95.4 | Very high | 94.9 | Very high | 23 Ų | 23 | 28.8 Ų | 28.8 | 10% | 0.1 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 178.9 | -166.5 | -179.9 | -172 | 167.6 | 0 | 112 | F277 N278 R279 L284 R285 E323 T327 | F277-K281 HydrophobicContact CD1-CD 4.43Å; F277-K281 HydrophobicContact CE1-CB 4.39Å; F277-K281 HydrophobicContact CE1-CD 3.94Å; F277-K281 HydrophobicContact CE1-CG 4.41Å; F277-K281 VanDerWaalsContact O-CB 3.27Å; F277-K281 WeakPolarHBondContact O-CB 3.39Å; F277-K281 PolarHBondContact O-N 3.14Å; N278-K281 WeakPolarHBondContact O-CB 3.47Å; N278-K281 PolarHBondContact O-N 3.46Å; R279-K281 VanDerWaalsContact C-N 3.33Å; R279-K281 PolarHBondContact O-N 2.67Å; K281-L284 PolarHBondContact O-N 3.42Å; K281-R285 VanDerWaalsContact O-CG 3.29Å; K281-R285 WeakPolarHBondContact O-CG 3.48Å; K281-R285 PolarHBondContact O-N 2.95Å; K281-E323 IonicContact NZ-OE2 3.72Å; K281-E323 PolarHBondContact NZ-OE2 3.32Å; K281-T327 HydrophobicContact CD-CG2 4.48Å; K281-T327 HydrophobicContact CG-CG2 3.54Å |
| 282 | V | 94.4 | Very high | 95.1 | Very high | 21 Ų | 21 | 28.8 Ų | 28.8 | 13% | 0.127 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 173.7 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | Y212 T216 N278 R279 L280 L284 R285 H286 | Y212-V282 HydrophobicContact CD1-CG1 4.27Å; Y212-V282 HydrophobicContact CE1-CB 4.1Å; Y212-V282 HydrophobicContact CE1-CG1 3.76Å; T216-V282 HydrophobicContact CG2-CG1 4.08Å; N278-V282 WeakPolarHBondContact O-CG2 3.44Å; N278-V282 PolarHBondContact O-N 2.99Å; R279-V282 PolarHBondContact O-N 3.03Å; L280-V282 VanDerWaalsContact C-N 3.3Å; L280-V282 PolarHBondContact O-N 3.4Å; V282-L284 VanDerWaalsContact C-N 3.34Å; V282-L284 PolarHBondContact O-N 3.19Å; V282-R285 PolarHBondContact O-N 3.22Å; V282-H286 PolarHBondContact O-N 3.21Å; V282-H286 PolarHBondContact O-ND1 3.47Å |
| 283 | A | 95 | Very high | 95.3 | Very high | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.017 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.3 | -48.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y212 V260 V261 R279 L280 R285 H286 S287 | Y212-A283 WeakPolarHBondContact OH-CA 3.29Å; Y212-A283 WeakPolarHBondContact OH-CB 3.46Å; V260-A283 HydrophobicContact CG1-CB 4.36Å; V261-A283 HydrophobicContact CG2-CB 3.74Å; R279-A283 PolarHBondContact O-N 2.8Å; L280-A283 WeakPolarHBondContact O-CB 3.43Å; L280-A283 PolarHBondContact O-N 2.91Å; L280-A283 VanDerWaalsContact O-N 3.15Å; A283-R285 VanDerWaalsContact C-N 3.26Å; A283-R285 PolarHBondContact O-N 3.39Å; A283-H286 PolarHBondContact O-N 3.28Å; A283-H286 VanDerWaalsContact O-N 3.09Å; A283-S287 PolarHBondContact O-N 3.12Å; A283-S287 VanDerWaalsContact O-N 3.09Å |
| 284 | L | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.8 | -20.7 | -177.7 | -65.8 | 177.9 | 0 | 0 | 0 | 114.3 | L280 K281 V282 I300 H301 L304 I324 T327 | L280-L284 HydrophobicContact CD1-CD1 4.35Å; L280-L284 HydrophobicContact CD1-CG 4.29Å; L280-L284 HydrophobicContact CD2-CD1 4.45Å; L280-L284 HydrophobicContact CG-CD1 3.96Å; L280-L284 HydrophobicContact CG-CG 4.32Å; L280-L284 WeakPolarHBondContact O-CG 3.38Å; L280-L284 PolarHBondContact O-N 3.4Å; K281-L284 PolarHBondContact O-N 3.42Å; V282-L284 VanDerWaalsContact C-N 3.34Å; V282-L284 PolarHBondContact O-N 3.19Å; L284-I300 HydrophobicContact CD2-CB 4.38Å; L284-I300 HydrophobicContact CD2-CG1 3.81Å; L284-I300 HydrophobicContact CD2-CG2 3.66Å; L284-H301 PolarHBondContact O-CE1 2.95Å; L284-H301 PolarHBondContact O-NE2 3.39Å; L284-L304 HydrophobicContact CD1-CD2 4.46Å; L284-I324 HydrophobicContact CD1-CG1 3.88Å; L284-I324 HydrophobicContact CD1-CG2 4.17Å; L284-T327 WeakPolarHBondContact CB-OG1 3.49Å |
| 285 | R | 94.9 | Very high | 95.6 | Very high | 94 Ų | 94 | 20.3 Ų | 20.3 | 36% | 0.355 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -78.6 | -28.7 | 172.8 | -77.1 | 171.1 | 170.1 | 173.6 | -4.3 | 112.5 | K281 V282 A283 T327 I330 A331 T335 | K281-R285 VanDerWaalsContact O-CG 3.29Å; K281-R285 WeakPolarHBondContact O-CG 3.48Å; K281-R285 PolarHBondContact O-N 2.95Å; V282-R285 PolarHBondContact O-N 3.22Å; A283-R285 VanDerWaalsContact C-N 3.26Å; A283-R285 PolarHBondContact O-N 3.39Å; R285-T327 HydrophobicContact CG-CG2 3.6Å; R285-I330 HydrophobicContact CB-CG2 4.32Å; R285-I330 HydrophobicContact CG-CD1 4.26Å; R285-I330 HydrophobicContact CG-CG2 4.31Å; R285-A331 VanDerWaalsContact O-CA 3.22Å; R285-A331 WeakPolarHBondContact O-CA 3.43Å; R285-A331 WeakPolarHBondContact O-CB 3.38Å; R285-T335 PolarHBondContact O-OG1 3.02Å |
| 286 | H | 94.3 | Very high | 95.7 | Very high | 21 Ų | 21 | 16.8 Ų | 16.8 | 10% | 0.097 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -94.4 | -19.5 | -174.6 | -70 | 90 | 0 | 0 | 0 | 113.5 | T216 Y253 V282 A283 T335 M338 W384 | T216-H286 PolarHBondContact O-NE2 2.93Å; Y253-H286 VanDerWaalsContact OH-CB 3.32Å; Y253-H286 WeakPolarHBondContact OH-CB 3.45Å; V282-H286 PolarHBondContact O-N 3.21Å; V282-H286 PolarHBondContact O-ND1 3.47Å; A283-H286 PolarHBondContact O-N 3.28Å; A283-H286 VanDerWaalsContact O-N 3.09Å; H286-T335 HydrophobicContact CB-CG2 4.4Å; H286-T335 WeakPolarHBondContact O-CG2 3.13Å; H286-M338 WeakPolarHBondContact CD2-CE 3.44Å; H286-M338 WeakPolarHBondContact NE2-CE 3.34Å; H286-W384 PolarHBondContact O-NE1 3.22Å |
| 287 | S | 94.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.007 | 8% | 0.079 | C | C | . | . | trans | -146.2 | 142.2 | -178.1 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | E257 A283 V289 H301 H388 | E257-S287 WeakPolarHBondContact OE1-CB 3.36Å; A283-S287 PolarHBondContact O-N 3.12Å; A283-S287 VanDerWaalsContact O-N 3.09Å; S287-V289 PolarHBondContact OG-N 2.98Å; S287-V289 VanDerWaalsContact OG-N 3.12Å; S287-V289 PolarHBondContact OG-O 3.04Å; S287-H301 PolarHBondContact O-NE2 2.74Å; S287-H388 PolarHBondContact OG-CE1 2.92Å; S287-H388 PolarHBondContact OG-NE2 3.39Å | ||
| 288 | Y | 94 | Very high | 95.7 | Very high | 5 Ų | 5 | 17.4 Ų | 17.4 | 2% | 0.02 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -104.4 | -5.9 | 166.1 | 62.4 | -104.6 | 0 | 0 | 0 | 112.8 | I300 H388 N391 I393 | Y288-I300 PolarHBondContact O-N 3.44Å; Y288-H388 AromaticContact CD1-CD2 3.97Å; Y288-H388 AromaticContact CE1-CD2 3.51Å; Y288-H388 AromaticContact CZ-CD2 3.64Å; Y288-H388 PolarHBondContact OH-O 3.33Å; Y288-N391 VanDerWaalsContact CE2-O 3.27Å; Y288-N391 WeakPolarHBondContact CE2-O 3.49Å; Y288-N391 PolarHBondContact OH-O 2.98Å; Y288-I393 HydrophobicContact CD1-CD1 3.74Å; Y288-I393 HydrophobicContact CD2-CD1 3.72Å; Y288-I393 HydrophobicContact CD2-CG1 3.84Å; Y288-I393 HydrophobicContact CE1-CD1 3.84Å; Y288-I393 HydrophobicContact CE1-CG1 4.41Å; Y288-I393 HydrophobicContact CE2-CD1 3.86Å; Y288-I393 HydrophobicContact CE2-CG1 3.67Å; Y288-I393 HydrophobicContact CG-CD1 3.68Å; Y288-I393 HydrophobicContact CG-CG1 4.32Å |
| 289 | V | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 113.6 | -173.2 | 56.9 | 0 | 0 | 0 | 0 | 109.9 | S287 V297 I298 R387 N391 | S287-V289 PolarHBondContact OG-N 2.98Å; S287-V289 VanDerWaalsContact OG-N 3.12Å; S287-V289 PolarHBondContact OG-O 3.04Å; V289-V297 HydrophobicContact CG2-CB 3.35Å; V289-V297 HydrophobicContact CG2-CG1 3.78Å; V289-V297 HydrophobicContact CG2-CG2 3.41Å; V289-V297 VanDerWaalsContact CG2-CG2 3.41Å; V289-I298 WeakPolarHBondContact CA-O 3.27Å; V289-R387 HydrophobicContact CG1-CG 4.01Å; V289-R387 HydrophobicContact CG2-CG 4.25Å; V289-R387 WeakPolarHBondContact O-CD 3.4Å; V289-R387 PolarHBondContact O-NE 2.99Å; V289-N391 HydrophobicContact CG2-CB 4.08Å |
| 290 | V | 97 | Very high | 95.7 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 139.2 | -174.7 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | E257 R258 V261 F262 L292 V297 I298 I300 | E257-V290 HydrophobicContact CG-CG1 4.48Å; E257-V290 HydrophobicContact CG-CG2 4.29Å; R258-V290 HydrophobicContact CG-CG1 4Å; V261-V290 HydrophobicContact CG1-CG2 4.41Å; V261-V290 HydrophobicContact CG2-CG2 4.29Å; F262-V290 HydrophobicContact CE1-CG1 4.01Å; F262-V290 HydrophobicContact CZ-CG1 4.02Å; V290-L292 PolarHBondContact O-N 3.35Å; V290-V297 CarbonylContact O-C 3.58Å; V290-V297 VanDerWaalsContact O-CA 3.28Å; V290-V297 WeakPolarHBondContact O-CA 3.43Å; V290-I298 PolarHBondContact N-O 3.28Å; V290-I298 PolarHBondContact O-N 3.24Å; V290-I300 HydrophobicContact CG2-CB 4Å; V290-I300 HydrophobicContact CG2-CG1 4.42Å; V290-I300 HydrophobicContact CG2-CG2 3.99Å |
| 291 | V | 97.6 | Very high | 95.6 | Very high | 6 Ų | 6 | 18.7 Ų | 18.7 | 4% | 0.036 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 124.2 | 177.7 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | E254 R258 F262 R387 | E254-V291 HydrophobicContact CG-CB 4.32Å; E254-V291 HydrophobicContact CG-CG2 4.14Å; E254-V291 WeakPolarHBondContact OE1-CB 3.14Å; E254-V291 WeakPolarHBondContact OE1-CG2 3.38Å; E254-V291 WeakPolarHBondContact OE2-CG2 3.28Å; R258-V291 WeakPolarHBondContact CD-O 3.39Å; R258-V291 WeakPolarHBondContact CG-O 3.45Å; F262-V291 WeakPolarHBondContact CZ-O 3.49Å; V291-R387 VanDerWaalsContact CG2-CD 3.42Å |
| 292 | L | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -58.6 | 165.6 | -177.6 | 62.9 | 0 | 0 | 0 | 108.9 | F138 A139 F142 L143 F262 V290 E296 I298 | F138-L292 HydrophobicContact CD1-CD1 4.36Å; F138-L292 HydrophobicContact CE1-CD1 4.15Å; A139-L292 HydrophobicContact CB-CD1 3.92Å; A139-L292 HydrophobicContact CB-CG 4.48Å; A139-L292 WeakPolarHBondContact CB-O 3.32Å; F142-L292 HydrophobicContact CB-CD1 4.21Å; F142-L292 HydrophobicContact CD1-CD1 4.23Å; F142-L292 HydrophobicContact CD1-CD2 4.12Å; L143-L292 HydrophobicContact CB-CD2 4.11Å; L143-L292 HydrophobicContact CD1-CD2 4.06Å; F262-L292 HydrophobicContact CZ-CD1 4.48Å; V290-L292 PolarHBondContact O-N 3.35Å; L292-E296 WeakPolarHBondContact CA-O 3.47Å; L292-E296 HydrophobicContact CB-CB 4.14Å; L292-E296 VanDerWaalsContact CB-O 3.3Å; L292-E296 WeakPolarHBondContact CB-O 3.48Å; L292-E296 HydrophobicContact CD2-CB 4.36Å; L292-E296 PolarHBondContact N-O 3.34Å; L292-I298 HydrophobicContact CB-CD1 4.46Å; L292-I298 HydrophobicContact CB-CG1 4.33Å; L292-I298 HydrophobicContact CD1-CD1 3.81Å; L292-I298 HydrophobicContact CD1-CG1 4.45Å |
| 293 | F | 97.5 | Very high | 95.2 | Very high | 16 Ų | 16 | 21.2 Ų | 21.2 | 7% | 0.07 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 125.3 | 174.9 | -175.9 | -111.3 | 0 | 0 | 0 | 109.8 | L20 L23 T24 H27 E295 E296 | L20-F293 HydrophobicContact CD1-CE2 3.84Å; L23-F293 HydrophobicContact CD1-CB 4.2Å; L23-F293 HydrophobicContact CD1-CD1 4.34Å; L23-F293 HydrophobicContact CD1-CD2 4.37Å; L23-F293 HydrophobicContact CD1-CG 4.05Å; L23-F293 HydrophobicContact CD2-CB 4.28Å; L23-F293 HydrophobicContact CD2-CD2 3.32Å; L23-F293 HydrophobicContact CD2-CE2 3.71Å; L23-F293 HydrophobicContact CD2-CG 3.85Å; L23-F293 HydrophobicContact CD2-CZ 4.49Å; L23-F293 HydrophobicContact CG-CB 4.38Å; L23-F293 HydrophobicContact CG-CD1 4.09Å; L23-F293 HydrophobicContact CG-CD2 3.63Å; L23-F293 HydrophobicContact CG-CE1 4.25Å; L23-F293 HydrophobicContact CG-CE2 3.82Å; L23-F293 HydrophobicContact CG-CG 3.77Å; L23-F293 HydrophobicContact CG-CZ 4.12Å; T24-F293 WeakPolarHBondContact OG1-CZ 3.4Å; H27-F293 HydrophobicContact CB-CD1 3.61Å; H27-F293 HydrophobicContact CB-CE1 3.59Å; H27-F293 AromaticContact CD2-CD1 3.95Å; H27-F293 AromaticContact CG-CD1 3.68Å; H27-F293 AromaticContact CG-CE1 3.75Å; F293-E295 PolarHBondContact O-N 2.69Å; F293-E296 PolarHBondContact N-O 3.37Å; F293-E296 VanDerWaalsContact O-CB 3.24Å; F293-E296 WeakPolarHBondContact O-CB 3.39Å; F293-E296 PolarHBondContact O-N 3.34Å |
| 294 | R | 96.1 | Very high | 94.9 | Very high | 23 Ų | 23 | 21.2 Ų | 21.2 | 9% | 0.087 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | -120.7 | -177.5 | -61.4 | 170.7 | 170 | 177 | -6.3 | 111.9 | H27 E296 I562 F565 A600 E608 | H27-R294 VanDerWaalsContact CE1-CD 3.42Å; H27-R294 WeakPolarHBondContact CE1-CD 3.43Å; H27-R294 PolarHBondContact ND1-NH1 3.49Å; R294-E296 VanDerWaalsContact C-N 3.32Å; R294-I562 HydrophobicContact CB-CD1 4.32Å; R294-F565 HydrophobicContact CB-CD2 4.37Å; R294-F565 HydrophobicContact CB-CG 4.37Å; R294-F565 VanDerWaalsContact CD-CZ 3.47Å; R294-F565 HydrophobicContact CG-CD2 4.47Å; R294-F565 HydrophobicContact CG-CE2 4.19Å; R294-F565 HydrophobicContact CG-CZ 4.28Å; R294-A600 PolarHBondContact NH2-O 3.17Å; R294-E608 IonicContact CZ-OE1 3.11Å; R294-E608 IonicContact CZ-OE2 3.06Å; R294-E608 IonicContact NH1-OE1 3.89Å; R294-E608 IonicContact NH1-OE2 3.62Å; R294-E608 PolarHBondContact NH1-OE2 3.42Å; R294-E608 IonicContact NH2-OE1 2.69Å; R294-E608 PolarHBondContact NH2-OE1 2.71Å; R294-E608 IonicContact NH2-OE2 3.48Å; R294-E608 PolarHBondContact NH2-OE2 2.73Å |
| 295 | E | 96 | Very high | 94.6 | Very high | 38 Ų | 38 | 23.3 Ų | 23.3 | 18% | 0.178 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -12.3 | 176.9 | 77.6 | -73.5 | -174.4 | 0 | 0 | 114.2 | H27 Q31 F293 V297 F565 Y566 | H27-E295 IonicContact CD2-OE1 2.86Å; H27-E295 IonicContact CE1-OE1 3.21Å; H27-E295 PolarHBondContact CE1-OE1 2.86Å; H27-E295 IonicContact CE1-OE2 3.66Å; H27-E295 PolarHBondContact CE1-OE2 3.02Å; H27-E295 IonicContact NE2-OE1 3.42Å; H27-E295 PolarHBondContact NE2-OE1 3.38Å; H27-E295 IonicContact NE2-OE2 2.67Å; H27-E295 PolarHBondContact NE2-OE2 3.02Å; Q31-E295 PolarHBondContact NE2-OE1 2.77Å; F293-E295 PolarHBondContact O-N 2.69Å; E295-V297 PolarHBondContact O-N 3.5Å; E295-F565 HydrophobicContact CB-CB 3.96Å; E295-F565 HydrophobicContact CG-CB 4.35Å; E295-F565 WeakPolarHBondContact OE2-CD1 3.47Å; E295-Y566 WeakPolarHBondContact CA-OH 3.37Å; E295-Y566 HydrophobicContact CB-CE1 4.15Å; E295-Y566 HydrophobicContact CB-CE2 4.11Å |
| 296 | E | 96.8 | Very high | 94.3 | Very high | 25 Ų | 25 | 21.3 Ų | 21.3 | 12% | 0.117 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 124.7 | 176.5 | -68.1 | -69.5 | 150.5 | 0 | 0 | 110.2 | K30 L143 R146 L292 F293 R294 | K30-E296 WeakPolarHBondContact CE-OE1 3.22Å; K30-E296 IonicContact NZ-OE1 2.79Å; K30-E296 PolarHBondContact NZ-OE1 3.35Å; L143-E296 HydrophobicContact CD1-CB 4.36Å; L143-E296 HydrophobicContact CD1-CG 3.86Å; R146-E296 WeakPolarHBondContact CD-OE2 3.31Å; R146-E296 IonicContact CZ-OE2 3.09Å; R146-E296 IonicContact NE-OE2 3.04Å; R146-E296 IonicContact NH1-OE2 2.6Å; R146-E296 PolarHBondContact NH1-OE2 2.89Å; L292-E296 WeakPolarHBondContact CA-O 3.47Å; L292-E296 HydrophobicContact CB-CB 4.14Å; L292-E296 VanDerWaalsContact CB-O 3.3Å; L292-E296 WeakPolarHBondContact CB-O 3.48Å; L292-E296 HydrophobicContact CD2-CB 4.36Å; L292-E296 PolarHBondContact N-O 3.34Å; F293-E296 PolarHBondContact N-O 3.37Å; F293-E296 VanDerWaalsContact O-CB 3.24Å; F293-E296 WeakPolarHBondContact O-CB 3.39Å; F293-E296 PolarHBondContact O-N 3.34Å; R294-E296 VanDerWaalsContact C-N 3.32Å |
| 297 | V | 96.8 | Very high | 94.1 | Very high | 9 Ų | 9 | 20.4 Ų | 20.4 | 6% | 0.055 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 155.2 | -176.6 | -61.2 | 0 | 0 | 0 | 0 | 112.7 | R146 V289 V290 E295 R387 N391 | R146-V297 PolarHBondContact NH1-O 3.47Å; R146-V297 PolarHBondContact NH2-O 2.89Å; V289-V297 HydrophobicContact CG2-CB 3.35Å; V289-V297 HydrophobicContact CG2-CG1 3.78Å; V289-V297 HydrophobicContact CG2-CG2 3.41Å; V289-V297 VanDerWaalsContact CG2-CG2 3.41Å; V290-V297 CarbonylContact O-C 3.58Å; V290-V297 VanDerWaalsContact O-CA 3.28Å; V290-V297 WeakPolarHBondContact O-CA 3.43Å; E295-V297 PolarHBondContact O-N 3.5Å; V297-R387 HydrophobicContact CG1-CG 4.04Å; V297-N391 WeakPolarHBondContact CG2-OD1 3.32Å |
| 298 | I | 95.5 | Very high | 94 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 126 | 170.2 | -67.8 | 169.2 | 0 | 0 | 0 | 109 | F138 F142 F262 V289 V290 L292 I300 L303 | F138-I298 HydrophobicContact CE1-CD1 3.65Å; F138-I298 HydrophobicContact CZ-CD1 4.05Å; F142-I298 HydrophobicContact CD1-CD1 3.85Å; F142-I298 HydrophobicContact CD1-CG1 4.32Å; F142-I298 HydrophobicContact CE1-CD1 3.84Å; F142-I298 HydrophobicContact CE1-CG1 4.01Å; F262-I298 HydrophobicContact CE1-CD1 3.93Å; F262-I298 HydrophobicContact CZ-CD1 4.27Å; V289-I298 WeakPolarHBondContact CA-O 3.27Å; V290-I298 PolarHBondContact N-O 3.28Å; V290-I298 PolarHBondContact O-N 3.24Å; L292-I298 HydrophobicContact CB-CD1 4.46Å; L292-I298 HydrophobicContact CB-CG1 4.33Å; L292-I298 HydrophobicContact CD1-CD1 3.81Å; L292-I298 HydrophobicContact CD1-CG1 4.45Å; I298-I300 VanDerWaalsContact C-N 3.31Å; I298-I300 HydrophobicContact CG2-CD1 4.3Å; I298-I300 PolarHBondContact O-N 2.88Å; I298-L303 HydrophobicContact CD1-CD2 4.44Å; I298-L303 HydrophobicContact CG2-CB 4.09Å; I298-L303 HydrophobicContact CG2-CD2 3.54Å; I298-L303 HydrophobicContact CG2-CG 4.46Å |
| 299 | Y | 94.7 | Very high | 93.8 | Very high | 98 Ų | 98 | 24.9 Ų | 24.9 | 38% | 0.384 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 89.3 | 164.8 | -67 | -85.9 | 0 | 0 | 0 | 109 | H301 S302 L303 N391 | Y299-H301 PolarHBondContact O-N 3.28Å; Y299-S302 VanDerWaalsContact CB-OG 3.24Å; Y299-S302 WeakPolarHBondContact CB-OG 3.44Å; Y299-S302 PolarHBondContact O-N 2.75Å; Y299-S302 PolarHBondContact O-OG 3.26Å; Y299-L303 PolarHBondContact O-N 3.3Å; Y299-L303 VanDerWaalsContact O-N 3.16Å; Y299-N391 PolarHBondContact OH-OD1 2.75Å |
| 300 | I | 94.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.8 | -37.6 | -161.1 | -171.6 | 58.5 | 0 | 0 | 0 | 112.7 | V261 L284 Y288 V290 I298 S302 L303 L304 | V261-I300 HydrophobicContact CG1-CD1 3.28Å; V261-I300 HydrophobicContact CG1-CG1 3.59Å; L284-I300 HydrophobicContact CD2-CB 4.38Å; L284-I300 HydrophobicContact CD2-CG1 3.81Å; L284-I300 HydrophobicContact CD2-CG2 3.66Å; Y288-I300 PolarHBondContact O-N 3.44Å; V290-I300 HydrophobicContact CG2-CB 4Å; V290-I300 HydrophobicContact CG2-CG1 4.42Å; V290-I300 HydrophobicContact CG2-CG2 3.99Å; I298-I300 VanDerWaalsContact C-N 3.31Å; I298-I300 HydrophobicContact CG2-CD1 4.3Å; I298-I300 PolarHBondContact O-N 2.88Å; I300-S302 PolarHBondContact O-N 2.61Å; I300-L303 PolarHBondContact O-N 3.06Å; I300-L304 WeakPolarHBondContact O-CB 3.43Å; I300-L304 PolarHBondContact O-N 3.23Å |
| 301 | H | 93.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.4 | -43.5 | 179.8 | -69.7 | -92.5 | 0 | 0 | 0 | 112.2 | L284 S287 Y299 Q305 I324 T327 F328 | L284-H301 PolarHBondContact O-CE1 2.95Å; L284-H301 PolarHBondContact O-NE2 3.39Å; S287-H301 PolarHBondContact O-NE2 2.74Å; Y299-H301 PolarHBondContact O-N 3.28Å; H301-Q305 VanDerWaalsContact O-CB 3.29Å; H301-Q305 WeakPolarHBondContact O-CB 3.25Å; H301-Q305 WeakPolarHBondContact O-CG 3.43Å; H301-Q305 PolarHBondContact O-N 2.89Å; H301-I324 PolarHBondContact ND1-O 2.89Å; H301-T327 PolarHBondContact CE1-OG1 3.04Å; H301-F328 HydrophobicContact CB-CB 4.4Å; H301-F328 HydrophobicContact CB-CD2 3.79Å; H301-F328 HydrophobicContact CB-CE2 4.41Å; H301-F328 HydrophobicContact CB-CG 4.28Å; H301-F328 AromaticContact CD2-CD2 3.58Å; H301-F328 VanDerWaalsContact CE1-CA 3.42Å; H301-F328 WeakPolarHBondContact CE1-CA 3.34Å; H301-F328 PolarHBondContact CE1-N 3.23Å; H301-F328 VanDerWaalsContact CE1-N 3.28Å; H301-F328 AromaticContact CG-CD2 3.52Å; H301-F328 WeakPolarHBondContact ND1-CB 3.42Å |
| 302 | S | 89.6 | Confident | 92.5 | Very high | 73 Ų | 73 | 30 Ų | 30 | 51% | 0.51 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65.7 | -42.8 | 177.5 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | Y299 I300 S306 | Y299-S302 VanDerWaalsContact CB-OG 3.24Å; Y299-S302 WeakPolarHBondContact CB-OG 3.44Å; Y299-S302 PolarHBondContact O-N 2.75Å; Y299-S302 PolarHBondContact O-OG 3.26Å; I300-S302 PolarHBondContact O-N 2.61Å; S302-S306 WeakPolarHBondContact O-CB 3.44Å; S302-S306 PolarHBondContact O-N 2.76Å; S302-S306 VanDerWaalsContact O-N 3.12Å |
| 303 | L | 91.4 | Very high | 91.8 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 12% | 0.12 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -47 | 179 | 179.4 | 65.3 | 0 | 0 | 0 | 110.7 | F142 L187 L265 I298 Y299 I300 S306 F307 | F142-L303 HydrophobicContact CE2-CD2 4.39Å; F142-L303 HydrophobicContact CZ-CD1 4.1Å; F142-L303 HydrophobicContact CZ-CD2 3.95Å; L187-L303 HydrophobicContact CD2-CD1 4.25Å; L187-L303 HydrophobicContact CD2-CG 4.39Å; L265-L303 HydrophobicContact CD2-CD2 4.15Å; I298-L303 HydrophobicContact CD1-CD2 4.44Å; I298-L303 HydrophobicContact CG2-CB 4.09Å; I298-L303 HydrophobicContact CG2-CD2 3.54Å; I298-L303 HydrophobicContact CG2-CG 4.46Å; Y299-L303 PolarHBondContact O-N 3.3Å; Y299-L303 VanDerWaalsContact O-N 3.16Å; I300-L303 PolarHBondContact O-N 3.06Å; L303-S306 PolarHBondContact O-N 2.9Å; L303-F307 VanDerWaalsContact O-CB 3.28Å; L303-F307 WeakPolarHBondContact O-CB 3.09Å; L303-F307 PolarHBondContact O-N 3.39Å |
| 304 | L | 90.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.8 | -37.6 | -174.3 | -166 | 138 | 0 | 0 | 0 | 111.8 | L265 L280 L284 I300 L308 I324 | L265-L304 HydrophobicContact CD1-CD1 4.19Å; L265-L304 HydrophobicContact CD1-CG 4.41Å; L280-L304 HydrophobicContact CD1-CD1 4.45Å; L280-L304 HydrophobicContact CD2-CD1 4.09Å; L284-L304 HydrophobicContact CD1-CD2 4.46Å; I300-L304 WeakPolarHBondContact O-CB 3.43Å; I300-L304 PolarHBondContact O-N 3.23Å; L304-L308 HydrophobicContact CD2-CD1 3.39Å; L304-L308 HydrophobicContact CD2-CG 4.22Å; L304-L308 HydrophobicContact CG-CD1 3.79Å; L304-L308 HydrophobicContact CG-CG 4.2Å; L304-L308 VanDerWaalsContact O-CB 3.22Å; L304-L308 WeakPolarHBondContact O-CB 3.17Å; L304-L308 VanDerWaalsContact O-CG 3.23Å; L304-L308 WeakPolarHBondContact O-CG 3.37Å; L304-L308 PolarHBondContact O-N 3.11Å; L304-I324 HydrophobicContact CD2-CB 4.37Å; L304-I324 HydrophobicContact CD2-CD1 3.24Å; L304-I324 HydrophobicContact CD2-CG1 3.88Å; L304-I324 HydrophobicContact CD2-CG2 3.73Å |
| 305 | Q | 88.7 | Confident | 90.8 | Very high | 45 Ų | 45 | 47.2 Ų | 47.2 | 21% | 0.21 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -51.4 | 172.2 | -72.2 | 170.7 | 17.5 | 0 | 0 | 111.3 | H301 F307 L308 E309 I324 K325 | H301-Q305 VanDerWaalsContact O-CB 3.29Å; H301-Q305 WeakPolarHBondContact O-CB 3.25Å; H301-Q305 WeakPolarHBondContact O-CG 3.43Å; H301-Q305 PolarHBondContact O-N 2.89Å; Q305-F307 VanDerWaalsContact C-N 3.34Å; Q305-F307 PolarHBondContact O-N 3.41Å; Q305-L308 PolarHBondContact O-N 3.37Å; Q305-E309 WeakPolarHBondContact O-CB 3.41Å; Q305-E309 VanDerWaalsContact O-CG 3.22Å; Q305-E309 WeakPolarHBondContact O-CG 3.32Å; Q305-E309 PolarHBondContact O-N 3.23Å; Q305-I324 HydrophobicContact CG-CG2 4.22Å; Q305-K325 HydrophobicContact CG-CG 4.46Å |
| 306 | S | 88.6 | Confident | 90.4 | Very high | 51 Ų | 51 | 48.2 Ų | 48.2 | 36% | 0.357 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.3 | -48.2 | 179.5 | -161.4 | 0 | 0 | 0 | 0 | 111.5 | E184 S302 L303 S310 | E184-S306 PolarHBondContact OE1-OG 3.49Å; S302-S306 WeakPolarHBondContact O-CB 3.44Å; S302-S306 PolarHBondContact O-N 2.76Å; S302-S306 VanDerWaalsContact O-N 3.12Å; L303-S306 PolarHBondContact O-N 2.9Å; S306-S310 WeakPolarHBondContact O-CB 3.41Å; S306-S310 PolarHBondContact O-N 3.43Å; S306-S310 PolarHBondContact O-OG 3.3Å |
| 307 | F | 91.5 | Very high | 90 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.4 | -50.4 | -178.2 | 179 | -112 | 0 | 0 | 0 | 112.5 | L187 N188 L265 Y268 L303 Q305 S310 S311 | L187-F307 HydrophobicContact CB-CD2 4.38Å; L187-F307 HydrophobicContact CB-CE2 4.33Å; L187-F307 HydrophobicContact CD2-CB 3.76Å; L187-F307 HydrophobicContact CD2-CD1 3.78Å; L187-F307 HydrophobicContact CD2-CD2 3.47Å; L187-F307 VanDerWaalsContact CD2-CD2 3.47Å; L187-F307 HydrophobicContact CD2-CE1 4.21Å; L187-F307 HydrophobicContact CD2-CE2 3.92Å; L187-F307 HydrophobicContact CD2-CG 3.38Å; L187-F307 HydrophobicContact CD2-CZ 4.27Å; L187-F307 HydrophobicContact CG-CD1 4.39Å; L187-F307 HydrophobicContact CG-CD2 3.83Å; L187-F307 HydrophobicContact CG-CE1 4.33Å; L187-F307 HydrophobicContact CG-CE2 3.75Å; L187-F307 HydrophobicContact CG-CG 4.15Å; L187-F307 HydrophobicContact CG-CZ 4.02Å; N188-F307 WeakPolarHBondContact OD1-CE2 3.35Å; L265-F307 HydrophobicContact CD1-CD1 3.85Å; L265-F307 HydrophobicContact CD1-CE1 4.31Å; Y268-F307 AromaticContact CD1-CE1 3.74Å; Y268-F307 HydrophobicContact CD1-CE1 3.74Å; Y268-F307 HydrophobicContact CD1-CZ 4.12Å; Y268-F307 HydrophobicContact CE1-CE1 4.17Å; Y268-F307 HydrophobicContact CE1-CZ 4.16Å; Y268-F307 HydrophobicContact CG-CE1 4.37Å; L303-F307 VanDerWaalsContact O-CB 3.28Å; L303-F307 WeakPolarHBondContact O-CB 3.09Å; L303-F307 PolarHBondContact O-N 3.39Å; Q305-F307 VanDerWaalsContact C-N 3.34Å; Q305-F307 PolarHBondContact O-N 3.41Å; F307-S310 PolarHBondContact O-N 3.3Å; F307-S310 PolarHBondContact O-OG 3.03Å; F307-S311 WeakPolarHBondContact CE2-OG 3.31Å; F307-S311 WeakPolarHBondContact O-CB 3.22Å; F307-S311 PolarHBondContact O-N 3.31Å; F307-S311 PolarHBondContact O-OG 3.41Å |
| 308 | L | 90.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.4 | -32.9 | -176.7 | -64.5 | -176.9 | 0 | 0 | 0 | 112.8 | Y268 L304 Q305 S310 S311 W312 I321 I324 | Y268-L308 HydrophobicContact CD2-CD2 3.88Å; Y268-L308 HydrophobicContact CG-CD2 3.88Å; L304-L308 HydrophobicContact CD2-CD1 3.39Å; L304-L308 HydrophobicContact CD2-CG 4.22Å; L304-L308 HydrophobicContact CG-CD1 3.79Å; L304-L308 HydrophobicContact CG-CG 4.2Å; L304-L308 VanDerWaalsContact O-CB 3.22Å; L304-L308 WeakPolarHBondContact O-CB 3.17Å; L304-L308 VanDerWaalsContact O-CG 3.23Å; L304-L308 WeakPolarHBondContact O-CG 3.37Å; L304-L308 PolarHBondContact O-N 3.11Å; Q305-L308 PolarHBondContact O-N 3.37Å; L308-S310 PolarHBondContact O-N 2.94Å; L308-S311 PolarHBondContact O-N 3.09Å; L308-W312 HydrophobicContact CD1-CE3 4.2Å; L308-W312 HydrophobicContact CD2-CE3 4.17Å; L308-W312 WeakPolarHBondContact O-CA 3.48Å; L308-W312 VanDerWaalsContact O-CB 3.3Å; L308-W312 WeakPolarHBondContact O-CB 3.43Å; L308-W312 PolarHBondContact O-N 2.85Å; L308-I321 HydrophobicContact CB-CD1 4Å; L308-I321 HydrophobicContact CB-CG1 3.96Å; L308-I324 HydrophobicContact CD1-CD1 3.92Å |
| 309 | E | 89.8 | Confident | 89.4 | Confident | 100 Ų | 100 | 55.3 Ų | 55.3 | 47% | 0.467 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.3 | -33.9 | 173 | -73.5 | 177.9 | 173.2 | 0 | 0 | 111.3 | Q305 I321 K325 | Q305-E309 WeakPolarHBondContact O-CB 3.41Å; Q305-E309 VanDerWaalsContact O-CG 3.22Å; Q305-E309 WeakPolarHBondContact O-CG 3.32Å; Q305-E309 PolarHBondContact O-N 3.23Å; E309-I321 HydrophobicContact CG-CD1 3.87Å; E309-I321 HydrophobicContact CG-CG2 3.87Å; E309-K325 WeakPolarHBondContact OE1-CE 3.34Å; E309-K325 IonicContact OE1-NZ 3.65Å; E309-K325 PolarHBondContact OE1-NZ 3.16Å |
| 310 | S | 87.3 | Confident | 89.2 | Confident | 68 Ų | 68 | 51.7 Ų | 51.7 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -79.7 | -38.2 | 176.9 | 76.2 | 0 | 0 | 0 | 0 | 113.9 | S306 F307 L308 | S306-S310 WeakPolarHBondContact O-CB 3.41Å; S306-S310 PolarHBondContact O-N 3.43Å; S306-S310 PolarHBondContact O-OG 3.3Å; F307-S310 PolarHBondContact O-N 3.3Å; F307-S310 PolarHBondContact O-OG 3.03Å; L308-S310 PolarHBondContact O-N 2.94Å |
| 311 | S | 87.5 | Confident | 89 | Confident | 32 Ų | 32 | 52 Ų | 52 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -98 | -29.7 | -170.5 | -63.8 | 0 | 0 | 0 | 0 | 113.7 | F307 L308 | F307-S311 WeakPolarHBondContact CE2-OG 3.31Å; F307-S311 WeakPolarHBondContact O-CB 3.22Å; F307-S311 PolarHBondContact O-N 3.31Å; F307-S311 PolarHBondContact O-OG 3.41Å; L308-S311 PolarHBondContact O-N 3.09Å |
| 312 | W | 88 | Confident | 88.9 | Confident | 15 Ų | 15 | 56.2 Ų | 56.2 | 6% | 0.057 | 31% | 0.309 | C | S | . | . | trans | -112.7 | 66.8 | -170.5 | -162.3 | 8.5 | 0 | 0 | 0 | 112.9 | Y268 L271 L308 N314 V316 G317 R320 | Y268-W312 HydrophobicContact CD2-CB 4.35Å; Y268-W312 HydrophobicContact CD2-CD2 4.31Å; Y268-W312 HydrophobicContact CD2-CE3 4.41Å; Y268-W312 HydrophobicContact CD2-CG 4.32Å; Y268-W312 HydrophobicContact CE2-CB 4.02Å; Y268-W312 HydrophobicContact CE2-CG 4.12Å; L271-W312 HydrophobicContact CB-CH2 3.71Å; L271-W312 HydrophobicContact CB-CZ3 3.87Å; L271-W312 HydrophobicContact CD1-CZ3 4.45Å; L308-W312 HydrophobicContact CD1-CE3 4.2Å; L308-W312 HydrophobicContact CD2-CE3 4.17Å; L308-W312 WeakPolarHBondContact O-CA 3.48Å; L308-W312 VanDerWaalsContact O-CB 3.3Å; L308-W312 WeakPolarHBondContact O-CB 3.43Å; L308-W312 PolarHBondContact O-N 2.85Å; W312-N314 PolarHBondContact NE1-ND2 3.41Å; W312-N314 PolarHBondContact NE1-OD1 3.44Å; W312-N314 VanDerWaalsContact NE1-OD1 3.09Å; W312-N314 PolarHBondContact O-N 2.87Å; W312-N314 VanDerWaalsContact O-N 3.1Å; W312-V316 HydrophobicContact CZ2-CG1 4.05Å; W312-G317 VanDerWaalsContact CE2-CA 3.47Å; W312-R320 HydrophobicContact CH2-CB 4.13Å; W312-R320 HydrophobicContact CH2-CG 3.78Å; W312-R320 HydrophobicContact CZ3-CB 3.94Å; W312-R320 HydrophobicContact CZ3-CG 4.13Å | ||
| 313 | V | 82.7 | Confident | 89 | Confident | 128 Ų | 128 | 54 Ų | 54 | 78% | 0.776 | 29% | 0.29 | S | S | * | . | trans | -75.3 | 1.1 | -168 | -165.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 314 | N | 88 | Confident | 89.1 | Confident | 78 Ų | 78 | 53 Ų | 53 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -85.4 | 166.3 | -176.3 | 79.1 | 18.3 | 0 | 0 | 0 | 112.9 | W312 V316 G317 A318 | W312-N314 PolarHBondContact NE1-ND2 3.41Å; W312-N314 PolarHBondContact NE1-OD1 3.44Å; W312-N314 VanDerWaalsContact NE1-OD1 3.09Å; W312-N314 PolarHBondContact O-N 2.87Å; W312-N314 VanDerWaalsContact O-N 3.1Å; N314-V316 PolarHBondContact O-N 3.1Å; N314-V316 WeakPolarHBondContact OD1-CB 3.37Å; N314-V316 PolarHBondContact OD1-N 2.98Å; N314-V316 VanDerWaalsContact OD1-N 3.12Å; N314-G317 PolarHBondContact O-N 2.98Å; N314-G317 PolarHBondContact OD1-N 3.5Å; N314-A318 PolarHBondContact O-N 3.17Å |
| 315 | K | 85.9 | Confident | 89.1 | Confident | 194 Ų | 194 | 56.9 Ų | 56.9 | 84% | 0.843 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.7 | -33.9 | -179.2 | -72.4 | -173.4 | 178.6 | -179.6 | 0 | 113.4 | K319 | K315-K319 PolarHBondContact O-N 3.1Å |
| 316 | V | 87.3 | Confident | 89.3 | Confident | 60 Ų | 60 | 60.5 Ų | 60.5 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.5 | -46.9 | 178.6 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | T272 W312 N314 A318 K319 R320 | T272-V316 HydrophobicContact CG2-CG1 4.24Å; W312-V316 HydrophobicContact CZ2-CG1 4.05Å; N314-V316 PolarHBondContact O-N 3.1Å; N314-V316 WeakPolarHBondContact OD1-CB 3.37Å; N314-V316 PolarHBondContact OD1-N 2.98Å; N314-V316 VanDerWaalsContact OD1-N 3.12Å; V316-A318 PolarHBondContact O-N 2.7Å; V316-K319 PolarHBondContact O-N 2.87Å; V316-R320 HydrophobicContact CG1-CG 4.39Å; V316-R320 WeakPolarHBondContact O-CG 3.44Å; V316-R320 PolarHBondContact O-N 3.15Å |
| 317 | G | 87.5 | Confident | 89.6 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.1 | -48 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W312 N314 K319 R320 I321 | W312-G317 VanDerWaalsContact CE2-CA 3.47Å; N314-G317 PolarHBondContact O-N 2.98Å; N314-G317 PolarHBondContact OD1-N 3.5Å; G317-K319 VanDerWaalsContact C-N 3.31Å; G317-K319 PolarHBondContact O-N 3.11Å; G317-R320 PolarHBondContact O-N 3.12Å; G317-R320 VanDerWaalsContact O-N 3.14Å; G317-I321 WeakPolarHBondContact O-CB 3.34Å; G317-I321 WeakPolarHBondContact O-CD1 3.25Å; G317-I321 WeakPolarHBondContact O-CG1 3.16Å; G317-I321 PolarHBondContact O-N 3.4Å |
| 318 | A | 88.2 | Confident | 89.7 | Confident | 53 Ų | 53 | 61.4 Ų | 61.4 | 44% | 0.438 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.1 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | N314 V316 N322 | N314-A318 PolarHBondContact O-N 3.17Å; V316-A318 PolarHBondContact O-N 2.7Å; A318-N322 PolarHBondContact O-N 2.97Å; A318-N322 PolarHBondContact O-ND2 2.93Å |
| 319 | K | 91.5 | Very high | 89.7 | Confident | 134 Ų | 134 | 64.9 Ų | 64.9 | 58% | 0.583 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.7 | -48.4 | 174.9 | -177.4 | -176 | 173.3 | -174 | 0 | 111.3 | K315 V316 G317 I321 N322 E323 | K315-K319 PolarHBondContact O-N 3.1Å; V316-K319 PolarHBondContact O-N 2.87Å; G317-K319 VanDerWaalsContact C-N 3.31Å; G317-K319 PolarHBondContact O-N 3.11Å; K319-I321 VanDerWaalsContact C-N 3.33Å; K319-I321 PolarHBondContact O-N 2.74Å; K319-N322 WeakPolarHBondContact O-CB 3.48Å; K319-N322 PolarHBondContact O-N 3.48Å; K319-N322 VanDerWaalsContact O-N 3.16Å; K319-E323 PolarHBondContact O-N 3.29Å; K319-E323 VanDerWaalsContact O-N 3.14Å |
| 320 | R | 91.1 | Very high | 89.8 | Confident | 21 Ų | 21 | 62.1 Ų | 62.1 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.1 | -39.9 | -179.6 | -66.5 | -48.9 | -166.4 | -175.3 | 3.7 | 112 | F277 W312 V316 G317 N322 E323 I324 | F277-R320 VanDerWaalsContact CD1-NH1 3.27Å; F277-R320 HydrophobicContact CD2-CB 4.18Å; F277-R320 HydrophobicContact CD2-CG 4.04Å; F277-R320 HydrophobicContact CE2-CB 3.65Å; F277-R320 HydrophobicContact CE2-CG 3.98Å; F277-R320 HydrophobicContact CG-CG 4.42Å; F277-R320 HydrophobicContact CZ-CB 3.95Å; F277-R320 HydrophobicContact CZ-CG 4.29Å; W312-R320 HydrophobicContact CH2-CB 4.13Å; W312-R320 HydrophobicContact CH2-CG 3.78Å; W312-R320 HydrophobicContact CZ3-CB 3.94Å; W312-R320 HydrophobicContact CZ3-CG 4.13Å; V316-R320 HydrophobicContact CG1-CG 4.39Å; V316-R320 WeakPolarHBondContact O-CG 3.44Å; V316-R320 PolarHBondContact O-N 3.15Å; G317-R320 PolarHBondContact O-N 3.12Å; G317-R320 VanDerWaalsContact O-N 3.14Å; R320-N322 VanDerWaalsContact C-N 3.29Å; R320-N322 PolarHBondContact O-N 2.9Å; R320-E323 IonicContact CZ-OE1 3.82Å; R320-E323 IonicContact NH1-OE1 3.55Å; R320-E323 PolarHBondContact NH1-OE1 3.04Å; R320-E323 IonicContact NH1-OE2 2.76Å; R320-E323 WeakPolarHBondContact O-CB 3.46Å; R320-E323 PolarHBondContact O-N 2.88Å; R320-E323 VanDerWaalsContact O-N 3.15Å; R320-I324 WeakPolarHBondContact O-CD1 3.11Å; R320-I324 WeakPolarHBondContact O-CG1 3.38Å; R320-I324 PolarHBondContact O-N 3.34Å |
| 321 | I | 90.5 | Very high | 90 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 175.6 | -69.4 | 161.3 | 0 | 0 | 0 | 111.4 | L308 E309 G317 K319 I324 K325 | L308-I321 HydrophobicContact CB-CD1 4Å; L308-I321 HydrophobicContact CB-CG1 3.96Å; E309-I321 HydrophobicContact CG-CD1 3.87Å; E309-I321 HydrophobicContact CG-CG2 3.87Å; G317-I321 WeakPolarHBondContact O-CB 3.34Å; G317-I321 WeakPolarHBondContact O-CD1 3.25Å; G317-I321 WeakPolarHBondContact O-CG1 3.16Å; G317-I321 PolarHBondContact O-N 3.4Å; K319-I321 VanDerWaalsContact C-N 3.33Å; K319-I321 PolarHBondContact O-N 2.74Å; I321-I324 WeakPolarHBondContact O-CB 3.39Å; I321-I324 PolarHBondContact O-N 3.03Å; I321-K325 WeakPolarHBondContact O-CG 3.34Å; I321-K325 PolarHBondContact O-N 3.02Å; I321-K325 VanDerWaalsContact O-N 3.08Å |
| 322 | N | 91.1 | Very high | 90 | Very high | 93 Ų | 93 | 58.6 Ų | 58.6 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 174.3 | -70.6 | -24.6 | 0 | 0 | 0 | 112.1 | A318 K319 R320 I324 K325 E326 | A318-N322 PolarHBondContact O-N 2.97Å; A318-N322 PolarHBondContact O-ND2 2.93Å; K319-N322 WeakPolarHBondContact O-CB 3.48Å; K319-N322 PolarHBondContact O-N 3.48Å; K319-N322 VanDerWaalsContact O-N 3.16Å; R320-N322 VanDerWaalsContact C-N 3.29Å; R320-N322 PolarHBondContact O-N 2.9Å; N322-I324 VanDerWaalsContact C-N 3.29Å; N322-I324 PolarHBondContact O-N 3.23Å; N322-K325 WeakPolarHBondContact O-CB 3.41Å; N322-K325 PolarHBondContact O-N 3.47Å; N322-K325 VanDerWaalsContact O-N 3.11Å; N322-E326 PolarHBondContact O-N 3.5Å |
| 323 | E | 92.9 | Very high | 89.9 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63 | -35.4 | 174.6 | -65.2 | -176.5 | -124.1 | 0 | 0 | 112.2 | F277 K281 K319 R320 K325 E326 T327 | F277-E323 HydrophobicContact CE1-CB 4Å; F277-E323 WeakPolarHBondContact CE1-OE2 3.33Å; F277-E323 HydrophobicContact CZ-CB 3.91Å; K281-E323 IonicContact NZ-OE2 3.72Å; K281-E323 PolarHBondContact NZ-OE2 3.32Å; K319-E323 PolarHBondContact O-N 3.29Å; K319-E323 VanDerWaalsContact O-N 3.14Å; R320-E323 IonicContact CZ-OE1 3.82Å; R320-E323 IonicContact NH1-OE1 3.55Å; R320-E323 PolarHBondContact NH1-OE1 3.04Å; R320-E323 IonicContact NH1-OE2 2.76Å; R320-E323 WeakPolarHBondContact O-CB 3.46Å; R320-E323 PolarHBondContact O-N 2.88Å; R320-E323 VanDerWaalsContact O-N 3.15Å; E323-K325 VanDerWaalsContact C-N 3.34Å; E323-E326 WeakPolarHBondContact O-CB 3.45Å; E323-E326 PolarHBondContact O-N 3.28Å; E323-T327 PolarHBondContact O-N 2.98Å; E323-T327 VanDerWaalsContact O-N 3.15Å |
| 324 | I | 92 | Very high | 90.3 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 172.9 | -71.8 | 151.9 | 0 | 0 | 0 | 111.2 | F277 L284 H301 L304 Q305 L308 R320 I321 N322 E326 T327 F328 | F277-I324 HydrophobicContact CE2-CD1 3.95Å; F277-I324 HydrophobicContact CE2-CG1 4.06Å; F277-I324 HydrophobicContact CZ-CD1 4.4Å; F277-I324 HydrophobicContact CZ-CG1 4.09Å; L284-I324 HydrophobicContact CD1-CG1 3.88Å; L284-I324 HydrophobicContact CD1-CG2 4.17Å; H301-I324 PolarHBondContact ND1-O 2.89Å; L304-I324 HydrophobicContact CD2-CB 4.37Å; L304-I324 HydrophobicContact CD2-CD1 3.24Å; L304-I324 HydrophobicContact CD2-CG1 3.88Å; L304-I324 HydrophobicContact CD2-CG2 3.73Å; Q305-I324 HydrophobicContact CG-CG2 4.22Å; L308-I324 HydrophobicContact CD1-CD1 3.92Å; R320-I324 WeakPolarHBondContact O-CD1 3.11Å; R320-I324 WeakPolarHBondContact O-CG1 3.38Å; R320-I324 PolarHBondContact O-N 3.34Å; I321-I324 WeakPolarHBondContact O-CB 3.39Å; I321-I324 PolarHBondContact O-N 3.03Å; N322-I324 VanDerWaalsContact C-N 3.29Å; N322-I324 PolarHBondContact O-N 3.23Å; I324-E326 VanDerWaalsContact C-N 3.27Å; I324-E326 PolarHBondContact O-N 3.46Å; I324-T327 PolarHBondContact O-N 2.86Å; I324-T327 PolarHBondContact O-OG1 3.01Å; I324-F328 PolarHBondContact O-N 3.34Å |
| 325 | K | 91.1 | Very high | 90.6 | Very high | 83 Ų | 83 | 56.8 Ų | 56.8 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.3 | -34.2 | 175.1 | -72.5 | 169.1 | -177.3 | 173.5 | 0 | 111.7 | Q305 E309 I321 N322 E323 | Q305-K325 HydrophobicContact CG-CG 4.46Å; E309-K325 WeakPolarHBondContact OE1-CE 3.34Å; E309-K325 IonicContact OE1-NZ 3.65Å; E309-K325 PolarHBondContact OE1-NZ 3.16Å; I321-K325 WeakPolarHBondContact O-CG 3.34Å; I321-K325 PolarHBondContact O-N 3.02Å; I321-K325 VanDerWaalsContact O-N 3.08Å; N322-K325 WeakPolarHBondContact O-CB 3.41Å; N322-K325 PolarHBondContact O-N 3.47Å; N322-K325 VanDerWaalsContact O-N 3.11Å; E323-K325 VanDerWaalsContact C-N 3.34Å |
| 326 | E | 92.5 | Very high | 90.9 | Very high | 121 Ų | 121 | 47.8 Ų | 47.8 | 57% | 0.565 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -70 | -39.9 | 175 | -65.7 | 175 | -176.3 | 0 | 0 | 112.6 | N322 E323 I324 F328 S329 I330 | N322-E326 PolarHBondContact O-N 3.5Å; E323-E326 WeakPolarHBondContact O-CB 3.45Å; E323-E326 PolarHBondContact O-N 3.28Å; I324-E326 VanDerWaalsContact C-N 3.27Å; I324-E326 PolarHBondContact O-N 3.46Å; E326-F328 VanDerWaalsContact C-N 3.25Å; E326-F328 PolarHBondContact O-N 3.43Å; E326-S329 WeakPolarHBondContact O-CB 3.36Å; E326-S329 PolarHBondContact O-N 3.35Å; E326-S329 VanDerWaalsContact O-N 3.09Å; E326-I330 PolarHBondContact O-N 2.64Å |
| 327 | T | 94.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.2 | -32 | 179 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | K281 L284 R285 H301 E323 I324 S329 I330 A331 | K281-T327 HydrophobicContact CD-CG2 4.48Å; K281-T327 HydrophobicContact CG-CG2 3.54Å; L284-T327 WeakPolarHBondContact CB-OG1 3.49Å; R285-T327 HydrophobicContact CG-CG2 3.6Å; H301-T327 PolarHBondContact CE1-OG1 3.04Å; E323-T327 PolarHBondContact O-N 2.98Å; E323-T327 VanDerWaalsContact O-N 3.15Å; I324-T327 PolarHBondContact O-N 2.86Å; I324-T327 PolarHBondContact O-OG1 3.01Å; T327-S329 VanDerWaalsContact C-N 3.31Å; T327-S329 PolarHBondContact O-N 2.88Å; T327-I330 PolarHBondContact O-N 3.26Å; T327-A331 WeakPolarHBondContact O-CB 3.37Å; T327-A331 PolarHBondContact O-N 3.16Å |
| 328 | F | 93.4 | Very high | 91.4 | Very high | 71 Ų | 71 | 52 Ų | 52 | 31% | 0.311 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.2 | -44.6 | 171.6 | -175.7 | -119.3 | 0 | 0 | 0 | 112.1 | H301 I324 E326 I330 A331 C332 I393 | H301-F328 HydrophobicContact CB-CB 4.4Å; H301-F328 HydrophobicContact CB-CD2 3.79Å; H301-F328 HydrophobicContact CB-CE2 4.41Å; H301-F328 HydrophobicContact CB-CG 4.28Å; H301-F328 AromaticContact CD2-CD2 3.58Å; H301-F328 VanDerWaalsContact CE1-CA 3.42Å; H301-F328 WeakPolarHBondContact CE1-CA 3.34Å; H301-F328 PolarHBondContact CE1-N 3.23Å; H301-F328 VanDerWaalsContact CE1-N 3.28Å; H301-F328 AromaticContact CG-CD2 3.52Å; H301-F328 WeakPolarHBondContact ND1-CB 3.42Å; I324-F328 PolarHBondContact O-N 3.34Å; E326-F328 VanDerWaalsContact C-N 3.25Å; E326-F328 PolarHBondContact O-N 3.43Å; F328-I330 VanDerWaalsContact C-N 3.32Å; F328-I330 PolarHBondContact O-N 3.13Å; F328-A331 PolarHBondContact O-N 3.29Å; F328-C332 PolarHBondContact O-N 3.31Å; F328-C332 PolarHBondContact O-SG 3.46Å; F328-I393 HydrophobicContact CE2-CD1 3.76Å; F328-I393 HydrophobicContact CZ-CD1 3.74Å; F328-I393 HydrophobicContact CZ-CG2 4.47Å |
| 329 | S | 90.2 | Very high | 91.8 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 52% | 0.517 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 177.8 | -169.5 | 0 | 0 | 0 | 0 | 111.8 | E326 T327 S333 | E326-S329 WeakPolarHBondContact O-CB 3.36Å; E326-S329 PolarHBondContact O-N 3.35Å; E326-S329 VanDerWaalsContact O-N 3.09Å; T327-S329 VanDerWaalsContact C-N 3.31Å; T327-S329 PolarHBondContact O-N 2.88Å; S329-S333 WeakPolarHBondContact O-CB 3.33Å; S329-S333 PolarHBondContact O-N 3.24Å; S329-S333 VanDerWaalsContact O-N 3.08Å; S329-S333 PolarHBondContact O-OG 3.2Å |
| 330 | I | 92.1 | Very high | 92 | Very high | 43 Ų | 43 | 44.3 Ų | 44.3 | 22% | 0.221 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65 | -50.1 | 176.7 | -62.9 | 170.7 | 0 | 0 | 0 | 110.3 | R285 E326 T327 F328 C332 S333 Q334 T335 | R285-I330 HydrophobicContact CB-CG2 4.32Å; R285-I330 HydrophobicContact CG-CD1 4.26Å; R285-I330 HydrophobicContact CG-CG2 4.31Å; E326-I330 PolarHBondContact O-N 2.64Å; T327-I330 PolarHBondContact O-N 3.26Å; F328-I330 VanDerWaalsContact C-N 3.32Å; F328-I330 PolarHBondContact O-N 3.13Å; I330-C332 PolarHBondContact O-N 2.8Å; I330-S333 PolarHBondContact O-N 3.01Å; I330-S333 VanDerWaalsContact O-N 3.14Å; I330-Q334 HydrophobicContact CG2-CB 4.33Å; I330-Q334 PolarHBondContact O-N 2.91Å; I330-T335 PolarHBondContact O-N 3.12Å; I330-T335 PolarHBondContact O-OG1 3.19Å |
| 331 | A | 92.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.1 | -36.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R285 T327 F328 T335 | R285-A331 VanDerWaalsContact O-CA 3.22Å; R285-A331 WeakPolarHBondContact O-CA 3.43Å; R285-A331 WeakPolarHBondContact O-CB 3.38Å; T327-A331 WeakPolarHBondContact O-CB 3.37Å; T327-A331 PolarHBondContact O-N 3.16Å; F328-A331 PolarHBondContact O-N 3.29Å; A331-T335 WeakPolarHBondContact CA-OG1 3.46Å |
| 332 | C | 87.3 | Confident | 92.6 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -79 | -36 | 178.8 | -62.9 | 0 | 0 | 0 | 0 | 113.6 | F328 I330 I393 F407 | F328-C332 PolarHBondContact O-N 3.31Å; F328-C332 PolarHBondContact O-SG 3.46Å; I330-C332 PolarHBondContact O-N 2.8Å; C332-I393 WeakPolarHBondContact SG-CD1 3.28Å; C332-F407 HydrophobicContact CB-CZ 4.44Å |
| 333 | S | 86.3 | Confident | 92.9 | Very high | 67 Ų | 67 | 42 Ų | 42 | 47% | 0.469 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -104.8 | -32.1 | -165.9 | 62 | 0 | 0 | 0 | 0 | 115.6 | S329 I330 | S329-S333 WeakPolarHBondContact O-CB 3.33Å; S329-S333 PolarHBondContact O-N 3.24Å; S329-S333 VanDerWaalsContact O-N 3.08Å; S329-S333 PolarHBondContact O-OG 3.2Å; I330-S333 PolarHBondContact O-N 3.01Å; I330-S333 VanDerWaalsContact O-N 3.14Å |
| 334 | Q | 90.9 | Very high | 93.2 | Very high | 110 Ų | 110 | 42.6 Ų | 42.6 | 51% | 0.514 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -34.2 | -172.6 | -64.9 | 178.4 | 23.7 | 0 | 0 | 112.1 | I330 M338 | I330-Q334 HydrophobicContact CG2-CB 4.33Å; I330-Q334 PolarHBondContact O-N 2.91Å; Q334-M338 PolarHBondContact O-N 3.24Å |
| 335 | T | 92.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.1 | -37.8 | -169.9 | -43.7 | 0 | 0 | 0 | 0 | 114.4 | R285 H286 I330 A331 K337 M338 H339 W384 | R285-T335 PolarHBondContact O-OG1 3.02Å; H286-T335 HydrophobicContact CB-CG2 4.4Å; H286-T335 WeakPolarHBondContact O-CG2 3.13Å; I330-T335 PolarHBondContact O-N 3.12Å; I330-T335 PolarHBondContact O-OG1 3.19Å; A331-T335 WeakPolarHBondContact CA-OG1 3.46Å; T335-K337 VanDerWaalsContact C-N 3.33Å; T335-K337 PolarHBondContact O-N 3.33Å; T335-M338 HydrophobicContact CG2-CE 4.38Å; T335-M338 WeakPolarHBondContact O-CB 3.24Å; T335-M338 PolarHBondContact O-N 3.42Å; T335-H339 WeakPolarHBondContact CG2-CD2 3.44Å; T335-H339 WeakPolarHBondContact CG2-NE2 3.42Å; T335-H339 PolarHBondContact O-CD2 3.45Å; T335-H339 VanDerWaalsContact O-CD2 3.28Å; T335-H339 PolarHBondContact O-N 2.8Å; T335-W384 HydrophobicContact CG2-CZ2 4.27Å |
| 336 | P | 92.6 | Very high | 93.8 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55 | -45.2 | 176.7 | -27.8 | 35.7 | 0 | 0 | 0 | 113.9 | M338 H339 A340 W384 L412 | P336-M338 PolarHBondContact O-N 3.09Å; P336-H339 PolarHBondContact O-N 3.34Å; P336-A340 PolarHBondContact O-N 3.27Å; P336-W384 HydrophobicContact CB-CH2 4.26Å; P336-W384 HydrophobicContact CG-CH2 4.28Å; P336-L412 HydrophobicContact CB-CD2 4.16Å; P336-L412 HydrophobicContact CG-CD2 4.49Å |
| 337 | K | 92.3 | Very high | 94.1 | Very high | 122 Ų | 122 | 35.5 Ų | 35.5 | 53% | 0.53 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64 | -40.7 | 175.9 | 178.3 | 54.8 | 178.9 | 155.7 | 0 | 112 | T335 H339 A340 D341 | T335-K337 VanDerWaalsContact C-N 3.33Å; T335-K337 PolarHBondContact O-N 3.33Å; K337-H339 PolarHBondContact O-N 3.2Å; K337-A340 WeakPolarHBondContact O-CB 3.42Å; K337-A340 PolarHBondContact O-N 2.87Å; K337-D341 WeakPolarHBondContact CE-OD1 3.3Å; K337-D341 IonicContact NZ-OD1 3.11Å; K337-D341 PolarHBondContact NZ-OD1 3.34Å; K337-D341 IonicContact NZ-OD2 2.65Å; K337-D341 PolarHBondContact O-N 2.98Å |
| 338 | M | 94.2 | Very high | 94.2 | Very high | 27 Ų | 27 | 40.1 Ų | 40.1 | 13% | 0.133 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 179.3 | -168.1 | -96.1 | -84.5 | 0 | 0 | 112.4 | R218 H286 Q334 T335 P336 D341 R342 | R218-M338 HydrophobicContact CG-CG 3.97Å; H286-M338 WeakPolarHBondContact CD2-CE 3.44Å; H286-M338 WeakPolarHBondContact NE2-CE 3.34Å; Q334-M338 PolarHBondContact O-N 3.24Å; T335-M338 HydrophobicContact CG2-CE 4.38Å; T335-M338 WeakPolarHBondContact O-CB 3.24Å; T335-M338 PolarHBondContact O-N 3.42Å; P336-M338 PolarHBondContact O-N 3.09Å; M338-D341 PolarHBondContact O-N 2.93Å; M338-R342 WeakPolarHBondContact O-CG 3.38Å; M338-R342 PolarHBondContact O-N 2.96Å; M338-R342 PolarHBondContact SD-NE 2.86Å; M338-R342 VanDerWaalsContact SD-NE 3.41Å; M338-R342 PolarHBondContact SD-NH2 3.29Å; M338-R342 VanDerWaalsContact SD-NH2 3.4Å |
| 339 | H | 96 | Very high | 94.5 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.4 | -37 | 173 | -76.6 | -73.6 | 0 | 0 | 0 | 112.7 | T335 P336 K337 D341 R342 R343 E381 W384 | T335-H339 WeakPolarHBondContact CG2-CD2 3.44Å; T335-H339 WeakPolarHBondContact CG2-NE2 3.42Å; T335-H339 PolarHBondContact O-CD2 3.45Å; T335-H339 VanDerWaalsContact O-CD2 3.28Å; T335-H339 PolarHBondContact O-N 2.8Å; P336-H339 PolarHBondContact O-N 3.34Å; K337-H339 PolarHBondContact O-N 3.2Å; H339-D341 VanDerWaalsContact C-N 3.31Å; H339-D341 PolarHBondContact O-N 3.2Å; H339-R342 PolarHBondContact CE1-NH1 3.44Å; H339-R342 WeakPolarHBondContact O-CB 3.48Å; H339-R342 PolarHBondContact O-N 3.27Å; H339-R343 PolarHBondContact O-N 3.16Å; H339-R343 PolarHBondContact O-NH1 3.22Å; H339-E381 WeakPolarHBondContact CA-OE2 3.5Å; H339-E381 WeakPolarHBondContact CB-OE2 3.27Å; H339-E381 IonicContact CE1-OE1 3.16Å; H339-E381 IonicContact CG-OE2 3Å; H339-E381 IonicContact ND1-OE1 2.97Å; H339-E381 PolarHBondContact ND1-OE1 3.42Å; H339-E381 IonicContact ND1-OE2 3.99Å; H339-E381 PolarHBondContact ND1-OE2 3.23Å; H339-W384 HydrophobicContact CB-CD2 4.28Å; H339-W384 HydrophobicContact CB-CE3 3.79Å; H339-W384 HydrophobicContact CB-CH2 4.32Å; H339-W384 HydrophobicContact CB-CZ3 3.82Å; H339-W384 AromaticContact CD2-CD2 3.56Å; H339-W384 AromaticContact CD2-CE2 3.22Å; H339-W384 AromaticContact CD2-CE3 3.89Å; H339-W384 AromaticContact CD2-CH2 3.78Å; H339-W384 AromaticContact CD2-CZ2 3.36Å; H339-W384 WeakPolarHBondContact CD2-CZ2 3.35Å; H339-W384 AromaticContact CD2-NE1 3.62Å; H339-W384 AromaticContact CE1-CD1 3.7Å; H339-W384 AromaticContact CE1-CD2 3.97Å; H339-W384 AromaticContact CE1-CG 3.85Å; H339-W384 AromaticContact CE1-NE1 3.76Å; H339-W384 AromaticContact CG-CD2 3.68Å; H339-W384 AromaticContact CG-CE2 3.86Å; H339-W384 AromaticContact CG-CE3 3.72Å; H339-W384 AromaticContact ND1-CD2 3.94Å; H339-W384 AromaticContact NE2-CD1 3.66Å; H339-W384 AromaticContact NE2-CD2 3.81Å; H339-W384 AromaticContact NE2-CE2 3.39Å; H339-W384 AromaticContact NE2-CZ2 3.9Å; H339-W384 AromaticContact NE2-NE1 3.22Å; H339-W384 PolarHBondContact NE2-NE1 2.99Å |
| 340 | A | 95.8 | Very high | 94.9 | Very high | 25 Ų | 25 | 33.6 Ų | 33.6 | 21% | 0.207 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P336 K337 R342 R343 A344 | P336-A340 PolarHBondContact O-N 3.27Å; K337-A340 WeakPolarHBondContact O-CB 3.42Å; K337-A340 PolarHBondContact O-N 2.87Å; A340-R342 VanDerWaalsContact C-N 3.35Å; A340-R343 PolarHBondContact O-N 3.48Å; A340-A344 PolarHBondContact O-N 3.49Å |
| 341 | D | 96.8 | Very high | 95.2 | Very high | 67 Ų | 67 | 36.4 Ų | 36.4 | 36% | 0.358 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.6 | -35.6 | 177.2 | -65 | -21.9 | 0 | 0 | 0 | 111.8 | A219 K337 M338 H339 A344 Y345 | A219-D341 HydrophobicContact CB-CB 4.14Å; K337-D341 WeakPolarHBondContact CE-OD1 3.3Å; K337-D341 IonicContact NZ-OD1 3.11Å; K337-D341 PolarHBondContact NZ-OD1 3.34Å; K337-D341 IonicContact NZ-OD2 2.65Å; K337-D341 PolarHBondContact O-N 2.98Å; M338-D341 PolarHBondContact O-N 2.93Å; H339-D341 VanDerWaalsContact C-N 3.31Å; H339-D341 PolarHBondContact O-N 3.2Å; D341-A344 PolarHBondContact O-N 2.92Å; D341-Y345 PolarHBondContact O-N 3.25Å |
| 342 | R | 97.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.5 | -44.8 | 173.4 | -73.1 | -179.8 | 174.4 | 169.2 | 8.9 | 112.8 | T216 V217 A219 W222 M338 H339 A340 A344 Y345 L346 E381 | T216-R342 VanDerWaalsContact CA-NH2 3.28Å; T216-R342 PolarHBondContact O-NH2 3.09Å; V217-R342 PolarHBondContact O-NE 3.46Å; V217-R342 PolarHBondContact O-NH2 3.45Å; A219-R342 HydrophobicContact CB-CG 4.03Å; W222-R342 HydrophobicContact CE3-CB 4.48Å; W222-R342 HydrophobicContact CE3-CG 4.19Å; W222-R342 HydrophobicContact CH2-CB 3.8Å; W222-R342 VanDerWaalsContact CH2-CD 3.43Å; W222-R342 HydrophobicContact CH2-CG 3.52Å; W222-R342 HydrophobicContact CZ2-CG 4.29Å; W222-R342 HydrophobicContact CZ3-CB 3.51Å; W222-R342 HydrophobicContact CZ3-CG 3.45Å; W222-R342 VanDerWaalsContact CZ3-CG 3.45Å; M338-R342 WeakPolarHBondContact O-CG 3.38Å; M338-R342 PolarHBondContact O-N 2.96Å; M338-R342 PolarHBondContact SD-NE 2.86Å; M338-R342 VanDerWaalsContact SD-NE 3.41Å; M338-R342 PolarHBondContact SD-NH2 3.29Å; M338-R342 VanDerWaalsContact SD-NH2 3.4Å; H339-R342 PolarHBondContact CE1-NH1 3.44Å; H339-R342 WeakPolarHBondContact O-CB 3.48Å; H339-R342 PolarHBondContact O-N 3.27Å; A340-R342 VanDerWaalsContact C-N 3.35Å; R342-A344 VanDerWaalsContact C-N 3.26Å; R342-A344 PolarHBondContact O-N 2.9Å; R342-Y345 WeakPolarHBondContact O-CB 3.24Å; R342-Y345 PolarHBondContact O-N 3.27Å; R342-L346 WeakPolarHBondContact O-CB 3.38Å; R342-L346 WeakPolarHBondContact O-CG 3.34Å; R342-L346 PolarHBondContact O-N 2.94Å; R342-E381 HydrophobicContact CB-CG 4.1Å; R342-E381 WeakPolarHBondContact CD-OE1 3.25Å; R342-E381 IonicContact CZ-OE1 2.72Å; R342-E381 IonicContact NE-OE1 3.27Å; R342-E381 IonicContact NH1-OE1 3.61Å; R342-E381 PolarHBondContact NH1-OE1 3.35Å |
| 343 | R | 97.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 1% | 0.011 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -39.3 | 173.6 | -70.7 | -170.3 | -53.7 | -86.9 | 5.4 | 111.6 | H339 A340 R347 E381 D414 L420 | H339-R343 PolarHBondContact O-N 3.16Å; H339-R343 PolarHBondContact O-NH1 3.22Å; A340-R343 PolarHBondContact O-N 3.48Å; R343-R347 VanDerWaalsContact O-CB 3.28Å; R343-R347 WeakPolarHBondContact O-CB 3.31Å; R343-R347 PolarHBondContact O-N 2.95Å; R343-E381 HydrophobicContact CG-CB 3.56Å; R343-E381 HydrophobicContact CG-CG 4.2Å; R343-D414 IonicContact CZ-OD2 3.76Å; R343-D414 IonicContact NE-OD2 3Å; R343-D414 PolarHBondContact NE-OD2 3.47Å; R343-D414 IonicContact NH2-OD2 3.46Å; R343-L420 HydrophobicContact CB-CD2 4.3Å; R343-L420 HydrophobicContact CG-CD2 4.2Å |
| 344 | A | 97.7 | Very high | 96.5 | Very high | 38 Ų | 38 | 36.2 Ų | 36.2 | 31% | 0.314 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.6 | -45.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A340 D341 R342 L348 | A340-A344 PolarHBondContact O-N 3.49Å; D341-A344 PolarHBondContact O-N 2.92Å; R342-A344 VanDerWaalsContact C-N 3.26Å; R342-A344 PolarHBondContact O-N 2.9Å; A344-L348 PolarHBondContact O-N 2.87Å |
| 345 | Y | 98.4 | Very high | 96.8 | Very high | 34 Ų | 34 | 35.7 Ų | 35.7 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.2 | -55.8 | 174.3 | -176.3 | -87.6 | 0 | 0 | 0 | 111.5 | W222 S223 F227 D341 R342 R347 L348 S349 | W222-Y345 HydrophobicContact CB-CD1 4.21Å; W222-Y345 HydrophobicContact CB-CE1 3.84Å; W222-Y345 HydrophobicContact CB-CE2 4.19Å; W222-Y345 HydrophobicContact CD2-CD1 4.49Å; W222-Y345 AromaticContact CE3-CD1 3.66Å; W222-Y345 HydrophobicContact CE3-CD1 3.66Å; W222-Y345 HydrophobicContact CE3-CE1 4.26Å; W222-Y345 HydrophobicContact CE3-CG 4.13Å; W222-Y345 HydrophobicContact CZ3-CD1 4.43Å; W222-Y345 PolarHBondContact O-OH 3.03Å; S223-Y345 WeakPolarHBondContact OG-CD2 3.43Å; S223-Y345 VanDerWaalsContact OG-CE2 3.31Å; S223-Y345 WeakPolarHBondContact OG-CE2 3.27Å; F227-Y345 HydrophobicContact CB-CE1 4.33Å; F227-Y345 AromaticContact CD1-CE1 3.94Å; F227-Y345 HydrophobicContact CD1-CE1 3.94Å; F227-Y345 PolarHBondContact N-OH 3.03Å; F227-Y345 PolarHBondContact O-OH 2.71Å; D341-Y345 PolarHBondContact O-N 3.25Å; R342-Y345 WeakPolarHBondContact O-CB 3.24Å; R342-Y345 PolarHBondContact O-N 3.27Å; Y345-R347 VanDerWaalsContact C-N 3.31Å; Y345-R347 PolarHBondContact O-N 3.04Å; Y345-L348 PolarHBondContact O-N 3.32Å; Y345-L348 VanDerWaalsContact O-N 3.07Å; Y345-S349 WeakPolarHBondContact CE1-OG 3.24Å; Y345-S349 PolarHBondContact O-N 3.46Å; Y345-S349 PolarHBondContact O-OG 2.86Å |
| 346 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.7 | -38.6 | -175.8 | -70.3 | 164.3 | 0 | 0 | 0 | 112.1 | W222 F227 L228 R342 L348 S349 L350 E381 L420 | W222-L346 HydrophobicContact CH2-CD1 4.14Å; W222-L346 HydrophobicContact CZ3-CD1 3.86Å; W222-L346 HydrophobicContact CZ3-CD2 4.25Å; W222-L346 HydrophobicContact CZ3-CG 3.86Å; F227-L346 HydrophobicContact CE1-CD2 4.36Å; L228-L346 HydrophobicContact CD1-CD2 4.2Å; R342-L346 WeakPolarHBondContact O-CB 3.38Å; R342-L346 WeakPolarHBondContact O-CG 3.34Å; R342-L346 PolarHBondContact O-N 2.94Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 3.29Å; L346-S349 PolarHBondContact O-N 3.24Å; L346-L350 VanDerWaalsContact O-CB 3.31Å; L346-L350 WeakPolarHBondContact O-CB 3.37Å; L346-L350 VanDerWaalsContact O-CG 3.26Å; L346-L350 WeakPolarHBondContact O-CG 3.35Å; L346-L350 PolarHBondContact O-N 2.9Å; L346-E381 HydrophobicContact CD1-CG 3.78Å; L346-L420 HydrophobicContact CB-CD1 4.32Å |
| 347 | R | 98.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 36.7 Ų | 36.7 | 9% | 0.087 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.1 | -43.2 | 176.1 | -171.9 | -173.4 | -54.8 | 106.8 | 5.7 | 112.1 | R343 Y345 R351 D414 F416 E419 L420 | R343-R347 VanDerWaalsContact O-CB 3.28Å; R343-R347 WeakPolarHBondContact O-CB 3.31Å; R343-R347 PolarHBondContact O-N 2.95Å; Y345-R347 VanDerWaalsContact C-N 3.31Å; Y345-R347 PolarHBondContact O-N 3.04Å; R347-R351 VanDerWaalsContact O-CB 3.28Å; R347-R351 WeakPolarHBondContact O-CB 3.48Å; R347-R351 PolarHBondContact O-N 3.33Å; R347-D414 IonicContact NH2-OD1 3.2Å; R347-D414 PolarHBondContact NH2-OD1 3.01Å; R347-D414 IonicContact NH2-OD2 2.72Å; R347-D414 PolarHBondContact NH2-OD2 3.05Å; R347-F416 PolarHBondContact NE-O 2.97Å; R347-F416 PolarHBondContact NH2-O 2.56Å; R347-E419 HydrophobicContact CG-CB 4.35Å; R347-E419 HydrophobicContact CG-CG 3.89Å; R347-L420 HydrophobicContact CB-CB 4.44Å; R347-L420 HydrophobicContact CB-CD1 4.23Å; R347-L420 HydrophobicContact CG-CB 4.41Å |
| 348 | L | 97.9 | Very high | 97.5 | Very high | 97 Ų | 97 | 33.2 Ų | 33.2 | 51% | 0.508 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -71.5 | -45.7 | 178.7 | -66.3 | 175.4 | 0 | 0 | 0 | 111.4 | A344 Y345 L346 R351 Q352 | A344-L348 PolarHBondContact O-N 2.87Å; Y345-L348 PolarHBondContact O-N 3.32Å; Y345-L348 VanDerWaalsContact O-N 3.07Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 3.29Å; L348-R351 PolarHBondContact O-N 3.04Å; L348-Q352 PolarHBondContact O-N 3.2Å |
| 349 | S | 98.4 | Very high | 97.6 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 179.6 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | Y345 L346 R351 Q352 L353 | Y345-S349 WeakPolarHBondContact CE1-OG 3.24Å; Y345-S349 PolarHBondContact O-N 3.46Å; Y345-S349 PolarHBondContact O-OG 2.86Å; L346-S349 PolarHBondContact O-N 3.24Å; S349-R351 VanDerWaalsContact C-N 3.34Å; S349-R351 PolarHBondContact O-N 3.42Å; S349-Q352 PolarHBondContact O-N 2.79Å; S349-L353 VanDerWaalsContact O-CB 3.31Å; S349-L353 WeakPolarHBondContact O-CB 3.42Å; S349-L353 PolarHBondContact O-N 3.49Å |
| 350 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.9 | -36 | 177.7 | -66.3 | -168.2 | 0 | 0 | 0 | 112.1 | L228 L346 L353 H354 A378 L420 R423 M424 L427 | L228-L350 HydrophobicContact CD1-CD2 4.47Å; L346-L350 VanDerWaalsContact O-CB 3.31Å; L346-L350 WeakPolarHBondContact O-CB 3.37Å; L346-L350 VanDerWaalsContact O-CG 3.26Å; L346-L350 WeakPolarHBondContact O-CG 3.35Å; L346-L350 PolarHBondContact O-N 2.9Å; L350-L353 HydrophobicContact CD2-CD2 4.43Å; L350-L353 PolarHBondContact O-N 3.31Å; L350-H354 WeakPolarHBondContact O-CB 3.49Å; L350-H354 PolarHBondContact O-N 3.24Å; L350-A378 HydrophobicContact CD1-CB 3.69Å; L350-L420 HydrophobicContact CD1-CD1 4.12Å; L350-R423 HydrophobicContact CB-CB 4.03Å; L350-M424 HydrophobicContact CD1-CG 3.86Å; L350-L427 HydrophobicContact CB-CD1 3.93Å; L350-L427 HydrophobicContact CD1-CD1 4.32Å; L350-L427 HydrophobicContact CD2-CD1 3.72Å; L350-L427 HydrophobicContact CG-CD1 4.19Å |
| 351 | R | 98.2 | Very high | 97.7 | Very high | 102 Ų | 102 | 44 Ų | 44 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 172.6 | -176.9 | 179.4 | 73 | 168.9 | 6.5 | 111.4 | R347 L348 S349 H354 L355 R423 | R347-R351 VanDerWaalsContact O-CB 3.28Å; R347-R351 WeakPolarHBondContact O-CB 3.48Å; R347-R351 PolarHBondContact O-N 3.33Å; L348-R351 PolarHBondContact O-N 3.04Å; S349-R351 VanDerWaalsContact C-N 3.34Å; S349-R351 PolarHBondContact O-N 3.42Å; R351-H354 PolarHBondContact O-N 3.36Å; R351-L355 HydrophobicContact CG-CD1 4.17Å; R351-L355 VanDerWaalsContact O-CG 3.26Å; R351-L355 WeakPolarHBondContact O-CG 3.1Å; R351-L355 PolarHBondContact O-N 2.87Å; R351-R423 HydrophobicContact CB-CG 4.14Å |
| 352 | Q | 97.8 | Very high | 97.6 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 29% | 0.285 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 177.7 | -174.6 | -172.1 | 26.6 | 0 | 0 | 111.1 | D229 L348 S349 H354 L355 I356 | D229-Q352 PolarHBondContact OD1-NE2 3.48Å; L348-Q352 PolarHBondContact O-N 3.2Å; S349-Q352 PolarHBondContact O-N 2.79Å; Q352-H354 PolarHBondContact O-N 2.74Å; Q352-L355 PolarHBondContact O-N 3.02Å; Q352-I356 HydrophobicContact CG-CD1 3.87Å; Q352-I356 WeakPolarHBondContact O-CG1 3.29Å; Q352-I356 PolarHBondContact O-N 3.44Å |
| 353 | L | 97.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 178.1 | -173.4 | 60 | 0 | 0 | 0 | 111.4 | I230 S349 L350 I356 L357 V371 L427 | I230-L353 HydrophobicContact CD1-CD1 3.24Å; I230-L353 HydrophobicContact CG1-CD1 4.17Å; S349-L353 VanDerWaalsContact O-CB 3.31Å; S349-L353 WeakPolarHBondContact O-CB 3.42Å; S349-L353 PolarHBondContact O-N 3.49Å; L350-L353 HydrophobicContact CD2-CD2 4.43Å; L350-L353 PolarHBondContact O-N 3.31Å; L353-I356 PolarHBondContact O-N 3.38Å; L353-L357 HydrophobicContact CD1-CD1 3.53Å; L353-L357 HydrophobicContact CD1-CG 4.03Å; L353-L357 HydrophobicContact CG-CD1 3.72Å; L353-L357 HydrophobicContact CG-CG 4.47Å; L353-L357 WeakPolarHBondContact O-CB 3.38Å; L353-L357 VanDerWaalsContact O-CG 3.24Å; L353-L357 WeakPolarHBondContact O-CG 3.46Å; L353-L357 PolarHBondContact O-N 3.24Å; L353-V371 HydrophobicContact CD2-CB 4.45Å; L353-V371 HydrophobicContact CD2-CG2 3.98Å; L353-V371 HydrophobicContact CG-CG2 4.36Å; L353-L427 HydrophobicContact CD2-CD1 4.38Å; L353-L427 HydrophobicContact CD2-CD2 4.5Å; L353-L427 HydrophobicContact CG-CD2 4.27Å |
| 354 | H | 98.2 | Very high | 97.5 | Very high | 25 Ų | 25 | 43.4 Ų | 43.4 | 12% | 0.116 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.1 | -48.3 | 175.7 | 175.6 | -107.8 | 0 | 0 | 0 | 111.6 | L350 R351 Q352 I356 L357 S358 E426 L427 | L350-H354 WeakPolarHBondContact O-CB 3.49Å; L350-H354 PolarHBondContact O-N 3.24Å; R351-H354 PolarHBondContact O-N 3.36Å; Q352-H354 PolarHBondContact O-N 2.74Å; H354-I356 PolarHBondContact O-N 3.44Å; H354-L357 PolarHBondContact O-N 3.38Å; H354-S358 WeakPolarHBondContact O-CB 3.28Å; H354-S358 PolarHBondContact O-N 2.97Å; H354-S358 PolarHBondContact O-OG 2.84Å; H354-E426 VanDerWaalsContact CE1-CD 3.41Å; H354-E426 IonicContact CE1-OE1 3.8Å; H354-E426 PolarHBondContact CE1-OE1 2.94Å; H354-E426 IonicContact CE1-OE2 2.74Å; H354-E426 IonicContact CG-OE2 2.85Å; H354-E426 IonicContact ND1-OE1 3.79Å; H354-E426 IonicContact ND1-OE2 2.88Å; H354-E426 PolarHBondContact ND1-OE2 3.05Å; H354-L427 HydrophobicContact CB-CD2 3.86Å; H354-L427 HydrophobicContact CB-CG 4.16Å |
| 355 | L | 97.8 | Very high | 97.4 | Very high | 99 Ų | 99 | 41.6 Ų | 41.6 | 52% | 0.518 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.7 | -47.7 | -179.8 | -73 | 169.8 | 0 | 0 | 0 | 111.9 | R351 Q352 S358 D359 | R351-L355 HydrophobicContact CG-CD1 4.17Å; R351-L355 VanDerWaalsContact O-CG 3.26Å; R351-L355 WeakPolarHBondContact O-CG 3.1Å; R351-L355 PolarHBondContact O-N 2.87Å; Q352-L355 PolarHBondContact O-N 3.02Å; L355-S358 PolarHBondContact O-OG 3.46Å; L355-D359 PolarHBondContact O-N 3.3Å |
| 356 | I | 96.7 | Very high | 97.2 | Very high | 32 Ų | 32 | 40.5 Ų | 40.5 | 16% | 0.164 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.5 | -49.4 | -179.8 | -63.9 | 162.7 | 0 | 0 | 0 | 111.4 | L231 Q352 L353 H354 S358 D359 E360 L363 | L231-I356 HydrophobicContact CD1-CD1 3.73Å; L231-I356 HydrophobicContact CD1-CG1 4.4Å; L231-I356 HydrophobicContact CD2-CD1 3.93Å; L231-I356 HydrophobicContact CG-CD1 3.6Å; Q352-I356 HydrophobicContact CG-CD1 3.87Å; Q352-I356 WeakPolarHBondContact O-CG1 3.29Å; Q352-I356 PolarHBondContact O-N 3.44Å; L353-I356 PolarHBondContact O-N 3.38Å; H354-I356 PolarHBondContact O-N 3.44Å; I356-S358 VanDerWaalsContact C-N 3.33Å; I356-S358 PolarHBondContact O-N 2.88Å; I356-D359 PolarHBondContact O-N 3.45Å; I356-E360 PolarHBondContact O-N 2.94Å; I356-L363 HydrophobicContact CG2-CD1 4.02Å |
| 357 | L | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -74.3 | -25.4 | -174.7 | -63.7 | 176.5 | 0 | 0 | 0 | 112.8 | L353 H354 E360 P361 L363 L364 K367 V371 L430 | L353-L357 HydrophobicContact CD1-CD1 3.53Å; L353-L357 HydrophobicContact CD1-CG 4.03Å; L353-L357 HydrophobicContact CG-CD1 3.72Å; L353-L357 HydrophobicContact CG-CG 4.47Å; L353-L357 WeakPolarHBondContact O-CB 3.38Å; L353-L357 VanDerWaalsContact O-CG 3.24Å; L353-L357 WeakPolarHBondContact O-CG 3.46Å; L353-L357 PolarHBondContact O-N 3.24Å; H354-L357 PolarHBondContact O-N 3.38Å; L357-E360 CarbonylContact O-C 3.54Å; L357-P361 VanDerWaalsContact O-CA 3.24Å; L357-P361 WeakPolarHBondContact O-CA 3.46Å; L357-L363 HydrophobicContact CD2-CB 3.65Å; L357-L364 HydrophobicContact CB-CD2 4.31Å; L357-L364 HydrophobicContact CB-CG 4.45Å; L357-L364 HydrophobicContact CD1-CD2 3.84Å; L357-L364 HydrophobicContact CG-CD2 4.46Å; L357-K367 HydrophobicContact CD2-CB 4.44Å; L357-V371 HydrophobicContact CD1-CG2 3.42Å; L357-V371 VanDerWaalsContact CD1-CG2 3.42Å; L357-L430 HydrophobicContact CB-CD2 3.6Å |
| 358 | S | 97.1 | Very high | 97 | Very high | 48 Ų | 48 | 40.2 Ų | 40.2 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -73.1 | -30.4 | 173.9 | 69.6 | 0 | 0 | 0 | 0 | 112.4 | H354 L355 I356 | H354-S358 WeakPolarHBondContact O-CB 3.28Å; H354-S358 PolarHBondContact O-N 2.97Å; H354-S358 PolarHBondContact O-OG 2.84Å; L355-S358 PolarHBondContact O-OG 3.46Å; I356-S358 VanDerWaalsContact C-N 3.33Å; I356-S358 PolarHBondContact O-N 2.88Å |
| 359 | D | 97.1 | Very high | 96.9 | Very high | 138 Ų | 138 | 35.8 Ų | 35.8 | 74% | 0.738 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -78.1 | -44.8 | 176.4 | -161.3 | 34.7 | 0 | 0 | 0 | 110.8 | L355 I356 P361 | L355-D359 PolarHBondContact O-N 3.3Å; I356-D359 PolarHBondContact O-N 3.45Å; D359-P361 WeakPolarHBondContact O-CD 3.34Å |
| 360 | E | 96.4 | Very high | 96.8 | Very high | 114 Ų | 114 | 36.2 Ų | 36.2 | 53% | 0.533 | 19% | 0.193 | S | C | . | . | trans | -120.8 | 79.1 | 178.4 | -166.8 | 61.3 | -137 | 0 | 0 | 111.5 | I356 L357 G362 L363 | I356-E360 PolarHBondContact O-N 2.94Å; L357-E360 CarbonylContact O-C 3.54Å; E360-G362 PolarHBondContact O-N 3.25Å; E360-G362 VanDerWaalsContact O-N 3.11Å; E360-L363 HydrophobicContact CB-CD1 4.04Å; E360-L363 HydrophobicContact CB-CG 4.22Å; E360-L363 HydrophobicContact CG-CD1 4.15Å; E360-L363 HydrophobicContact CG-CG 3.91Å; E360-L363 WeakPolarHBondContact O-CB 3.49Å; E360-L363 PolarHBondContact O-N 3.45Å | ||
| 361 | P | 96.1 | Very high | 96.8 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 18% | 0.175 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -64.3 | -18.5 | -175.9 | 25.1 | -34.7 | 0 | 0 | 0 | 113.5 | L357 D359 L363 L364 Y434 | L357-P361 VanDerWaalsContact O-CA 3.24Å; L357-P361 WeakPolarHBondContact O-CA 3.46Å; D359-P361 WeakPolarHBondContact O-CD 3.34Å; P361-L363 PolarHBondContact O-N 3.14Å; P361-L364 HydrophobicContact CB-CD1 4.33Å; P361-L364 VanDerWaalsContact O-CB 3.26Å; P361-L364 WeakPolarHBondContact O-CB 3.38Å; P361-L364 PolarHBondContact O-N 2.84Å; P361-Y434 HydrophobicContact CB-CD1 3.67Å; P361-Y434 HydrophobicContact CB-CD2 3.83Å; P361-Y434 HydrophobicContact CB-CE1 3.62Å; P361-Y434 HydrophobicContact CB-CE2 3.8Å; P361-Y434 HydrophobicContact CB-CG 3.77Å; P361-Y434 HydrophobicContact CG-CD1 4.24Å; P361-Y434 HydrophobicContact CG-CE1 3.74Å; P361-Y434 HydrophobicContact CG-CE2 4.4Å |
| 362 | G | 94.5 | Very high | 96.8 | Very high | 41 Ų | 41 | 31.4 Ų | 31.4 | 42% | 0.423 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -58.6 | -27.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E360 L364 G365 | E360-G362 PolarHBondContact O-N 3.25Å; E360-G362 VanDerWaalsContact O-N 3.11Å; G362-L364 PolarHBondContact O-N 3.07Å; G362-G365 PolarHBondContact O-N 3.44Å |
| 363 | L | 97.1 | Very high | 96.7 | Very high | 22 Ų | 22 | 31 Ų | 31 | 12% | 0.115 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -68.8 | -16.6 | 176.1 | -66.8 | 177.5 | 0 | 0 | 0 | 113.2 | V237 T238 I356 L357 E360 P361 G365 P366 K367 | V237-L363 HydrophobicContact CG1-CD1 3.93Å; V237-L363 HydrophobicContact CG1-CD2 3.95Å; T238-L363 HydrophobicContact CG2-CD2 4.46Å; I356-L363 HydrophobicContact CG2-CD1 4.02Å; L357-L363 HydrophobicContact CD2-CB 3.65Å; E360-L363 HydrophobicContact CB-CD1 4.04Å; E360-L363 HydrophobicContact CB-CG 4.22Å; E360-L363 HydrophobicContact CG-CD1 4.15Å; E360-L363 HydrophobicContact CG-CG 3.91Å; E360-L363 WeakPolarHBondContact O-CB 3.49Å; E360-L363 PolarHBondContact O-N 3.45Å; P361-L363 PolarHBondContact O-N 3.14Å; L363-G365 PolarHBondContact O-N 3.37Å; L363-P366 WeakPolarHBondContact O-CD 3.36Å; L363-K367 VanDerWaalsContact O-CB 3.25Å; L363-K367 WeakPolarHBondContact O-CB 3.44Å; L363-K367 PolarHBondContact O-N 2.97Å |
| 364 | L | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.6 | -29.2 | 175.6 | -75.1 | 163.7 | 0 | 0 | 0 | 112.4 | L357 P361 G362 A368 V371 L430 V431 Y434 I438 | L357-L364 HydrophobicContact CB-CD2 4.31Å; L357-L364 HydrophobicContact CB-CG 4.45Å; L357-L364 HydrophobicContact CD1-CD2 3.84Å; L357-L364 HydrophobicContact CG-CD2 4.46Å; P361-L364 HydrophobicContact CB-CD1 4.33Å; P361-L364 VanDerWaalsContact O-CB 3.26Å; P361-L364 WeakPolarHBondContact O-CB 3.38Å; P361-L364 PolarHBondContact O-N 2.84Å; G362-L364 PolarHBondContact O-N 3.07Å; L364-A368 VanDerWaalsContact O-CA 3.3Å; L364-A368 WeakPolarHBondContact O-CA 3.46Å; L364-A368 WeakPolarHBondContact O-CB 3.18Å; L364-A368 PolarHBondContact O-N 3.36Å; L364-V371 HydrophobicContact CD2-CG2 4.3Å; L364-L430 HydrophobicContact CD1-CD2 4.49Å; L364-L430 HydrophobicContact CD1-CG 4.11Å; L364-L430 HydrophobicContact CD2-CD2 4.49Å; L364-V431 HydrophobicContact CD2-CG2 4.46Å; L364-Y434 HydrophobicContact CD1-CD2 4.04Å; L364-Y434 HydrophobicContact CD1-CG 4.08Å; L364-I438 HydrophobicContact CB-CD1 4.23Å; L364-I438 HydrophobicContact CB-CG1 3.86Å |
| 365 | G | 94.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.1 | -70.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G362 L363 K367 F441 Y442 | G362-G365 PolarHBondContact O-N 3.44Å; L363-G365 PolarHBondContact O-N 3.37Å; G365-K367 VanDerWaalsContact C-N 3.29Å; G365-K367 PolarHBondContact O-N 3.2Å; G365-F441 WeakPolarHBondContact O-CD1 3.49Å; G365-F441 WeakPolarHBondContact O-CE1 3.14Å; G365-Y442 VanDerWaalsContact O-CE2 3.29Å; G365-Y442 WeakPolarHBondContact O-CE2 3.37Å; G365-Y442 PolarHBondContact O-OH 3.36Å |
| 366 | P | 96.1 | Very high | 96.8 | Very high | 11 Ų | 11 | 25 Ų | 25 | 7% | 0.071 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69 | -21.2 | -177.8 | 25.2 | -33.9 | 0 | 0 | 0 | 114.5 | V241 L363 F441 | V241-P366 PolarHBondContact N-O 3.23Å; V241-P366 VanDerWaalsContact N-O 3.1Å; L363-P366 WeakPolarHBondContact O-CD 3.36Å; P366-F441 HydrophobicContact CB-CE2 4.15Å; P366-F441 HydrophobicContact CB-CZ 3.85Å; P366-F441 HydrophobicContact CG-CE2 4.45Å |
| 367 | K | 96.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 24 Ų | 24 | 7% | 0.074 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -112.2 | 2.2 | -173.5 | -54.4 | -58.3 | -177.3 | -175.4 | 0 | 115.4 | I230 K236 V237 H239 V241 L357 L363 G365 F369 L370 | I230-K367 HydrophobicContact CD1-CB 4.19Å; I230-K367 HydrophobicContact CD1-CG 4.15Å; K236-K367 PolarHBondContact O-NZ 3.29Å; V237-K367 WeakPolarHBondContact O-CE 3.26Å; H239-K367 VanDerWaalsContact O-CE 3.27Å; H239-K367 WeakPolarHBondContact O-CE 3.42Å; H239-K367 PolarHBondContact O-NZ 2.82Å; V241-K367 HydrophobicContact CG2-CD 3.95Å; L357-K367 HydrophobicContact CD2-CB 4.44Å; L363-K367 VanDerWaalsContact O-CB 3.25Å; L363-K367 WeakPolarHBondContact O-CB 3.44Å; L363-K367 PolarHBondContact O-N 2.97Å; G365-K367 VanDerWaalsContact C-N 3.29Å; G365-K367 PolarHBondContact O-N 3.2Å; K367-F369 PolarHBondContact O-N 2.87Å; K367-F369 VanDerWaalsContact O-N 3.11Å; K367-L370 HydrophobicContact CB-CD1 4.47Å; K367-L370 HydrophobicContact CD-CD1 4Å; K367-L370 WeakPolarHBondContact O-CB 3.3Å; K367-L370 PolarHBondContact O-N 3.43Å |
| 368 | A | 95.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -46.4 | -45.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L364 L370 V371 F372 I438 Y442 L546 | L364-A368 VanDerWaalsContact O-CA 3.3Å; L364-A368 WeakPolarHBondContact O-CA 3.46Å; L364-A368 WeakPolarHBondContact O-CB 3.18Å; L364-A368 PolarHBondContact O-N 3.36Å; A368-L370 VanDerWaalsContact C-N 3.27Å; A368-L370 PolarHBondContact O-N 3.42Å; A368-V371 WeakPolarHBondContact O-CA 3.49Å; A368-V371 VanDerWaalsContact O-CB 3.29Å; A368-V371 WeakPolarHBondContact O-CB 3.31Å; A368-V371 PolarHBondContact O-N 3.12Å; A368-F372 HydrophobicContact CB-CE2 4.24Å; A368-F372 WeakPolarHBondContact O-CD2 3.46Å; A368-F372 PolarHBondContact O-N 2.93Å; A368-F372 VanDerWaalsContact O-N 3.16Å; A368-I438 HydrophobicContact CB-CD1 4.41Å; A368-I438 HydrophobicContact CB-CG1 4.37Å; A368-I438 HydrophobicContact CB-CG2 4.18Å; A368-Y442 HydrophobicContact CB-CE2 4.12Å; A368-L546 HydrophobicContact CB-CD2 4.44Å |
| 369 | F | 96 | Very high | 96.9 | Very high | 3 Ų | 3 | 22 Ų | 22 | 1% | 0.013 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.2 | -39 | -179.9 | -177.6 | -96.6 | 0 | 0 | 0 | 113.4 | V241 L246 E249 L250 K367 V371 F372 W373 L542 | V241-F369 HydrophobicContact CB-CB 4.39Å; V241-F369 HydrophobicContact CG1-CB 4.45Å; V241-F369 HydrophobicContact CG1-CD1 3.74Å; V241-F369 HydrophobicContact CG1-CE1 4.49Å; V241-F369 HydrophobicContact CG1-CG 4.4Å; L246-F369 HydrophobicContact CB-CD2 4.27Å; L246-F369 HydrophobicContact CB-CE2 3.65Å; L246-F369 HydrophobicContact CB-CZ 3.78Å; L246-F369 HydrophobicContact CD2-CD1 4.09Å; L246-F369 HydrophobicContact CD2-CE1 3.6Å; L246-F369 HydrophobicContact CD2-CE2 4.27Å; L246-F369 HydrophobicContact CD2-CZ 3.68Å; L246-F369 HydrophobicContact CG-CE2 4.37Å; L246-F369 HydrophobicContact CG-CZ 4.23Å; L246-F369 WeakPolarHBondContact O-CE2 3.26Å; L246-F369 WeakPolarHBondContact O-CZ 3.31Å; E249-F369 HydrophobicContact CB-CZ 3.97Å; E249-F369 HydrophobicContact CG-CZ 4.47Å; L250-F369 HydrophobicContact CD1-CE2 4.03Å; L250-F369 HydrophobicContact CD2-CE2 4Å; L250-F369 HydrophobicContact CD2-CZ 4.34Å; L250-F369 HydrophobicContact CG-CE2 3.9Å; L250-F369 HydrophobicContact CG-CZ 4.47Å; K367-F369 PolarHBondContact O-N 2.87Å; K367-F369 VanDerWaalsContact O-N 3.11Å; F369-V371 VanDerWaalsContact C-N 3.26Å; F369-V371 PolarHBondContact O-N 3.33Å; F369-F372 PolarHBondContact O-N 2.86Å; F369-W373 HydrophobicContact CD1-CB 4.45Å; F369-W373 HydrophobicContact CD1-CE3 4.32Å; F369-W373 HydrophobicContact CE1-CB 4.09Å; F369-W373 AromaticContact CE1-CD2 3.9Å; F369-W373 HydrophobicContact CE1-CD2 3.9Å; F369-W373 AromaticContact CE1-CE3 3.75Å; F369-W373 HydrophobicContact CE1-CE3 3.75Å; F369-W373 HydrophobicContact CE1-CG 4.11Å; F369-W373 HydrophobicContact CE1-CZ3 4.42Å; F369-W373 HydrophobicContact CZ-CB 4.48Å; F369-W373 HydrophobicContact CZ-CG 4.46Å; F369-W373 VanDerWaalsContact O-CB 3.29Å; F369-W373 WeakPolarHBondContact O-CB 3.41Å; F369-W373 PolarHBondContact O-N 3.47Å; F369-L542 HydrophobicContact CD2-CD2 3.79Å; F369-L542 HydrophobicContact CE2-CD2 3.83Å |
| 370 | L | 95.9 | Very high | 97 | Very high | 19 Ų | 19 | 16.1 Ų | 16.1 | 10% | 0.099 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.3 | -33.1 | 177.6 | -61.7 | -179.8 | 0 | 0 | 0 | 112 | L228 I230 V241 K367 A368 W373 G374 | L228-L370 HydrophobicContact CD2-CB 4.35Å; L228-L370 HydrophobicContact CD2-CD2 4.47Å; L228-L370 WeakPolarHBondContact CD2-O 3.39Å; I230-L370 HydrophobicContact CD1-CD1 3.81Å; I230-L370 HydrophobicContact CG1-CD1 3.58Å; V241-L370 HydrophobicContact CG2-CD1 4.2Å; V241-L370 HydrophobicContact CG2-CD2 4.15Å; V241-L370 HydrophobicContact CG2-CG 3.92Å; K367-L370 HydrophobicContact CB-CD1 4.47Å; K367-L370 HydrophobicContact CD-CD1 4Å; K367-L370 WeakPolarHBondContact O-CB 3.3Å; K367-L370 PolarHBondContact O-N 3.43Å; A368-L370 VanDerWaalsContact C-N 3.27Å; A368-L370 PolarHBondContact O-N 3.42Å; L370-W373 HydrophobicContact CD2-CE3 3.92Å; L370-W373 HydrophobicContact CD2-CZ3 4.33Å; L370-G374 PolarHBondContact O-N 2.88Å |
| 371 | V | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.8 | -50.9 | 174.2 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | L353 L357 L364 A368 F369 W373 G374 L375 L427 V431 | L353-V371 HydrophobicContact CD2-CB 4.45Å; L353-V371 HydrophobicContact CD2-CG2 3.98Å; L353-V371 HydrophobicContact CG-CG2 4.36Å; L357-V371 HydrophobicContact CD1-CG2 3.42Å; L357-V371 VanDerWaalsContact CD1-CG2 3.42Å; L364-V371 HydrophobicContact CD2-CG2 4.3Å; A368-V371 WeakPolarHBondContact O-CA 3.49Å; A368-V371 VanDerWaalsContact O-CB 3.29Å; A368-V371 WeakPolarHBondContact O-CB 3.31Å; A368-V371 PolarHBondContact O-N 3.12Å; F369-V371 VanDerWaalsContact C-N 3.26Å; F369-V371 PolarHBondContact O-N 3.33Å; V371-W373 VanDerWaalsContact C-N 3.29Å; V371-W373 PolarHBondContact O-N 3.28Å; V371-G374 PolarHBondContact O-N 3.37Å; V371-L375 HydrophobicContact CG1-CD1 3.91Å; V371-L375 HydrophobicContact CG1-CG 4.29Å; V371-L375 VanDerWaalsContact O-CB 3.27Å; V371-L375 WeakPolarHBondContact O-CB 3.47Å; V371-L375 VanDerWaalsContact O-CG 3.23Å; V371-L375 WeakPolarHBondContact O-CG 2.76Å; V371-L375 PolarHBondContact O-N 2.82Å; V371-L427 HydrophobicContact CG1-CB 4Å; V371-L427 HydrophobicContact CG1-CD1 4.45Å; V371-L427 HydrophobicContact CG1-CD2 4.16Å; V371-L427 HydrophobicContact CG1-CG 4.44Å; V371-V431 HydrophobicContact CB-CG2 4.44Å; V371-V431 HydrophobicContact CG1-CG2 3.82Å |
| 372 | F | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 0% | 0.004 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.3 | -40.4 | 177.1 | -69.8 | -77.9 | 0 | 0 | 0 | 112.2 | L250 A368 F369 S376 V431 L546 L550 L553 L554 V557 | L250-F372 HydrophobicContact CD1-CB 4.33Å; L250-F372 HydrophobicContact CD2-CB 3.95Å; A368-F372 HydrophobicContact CB-CE2 4.24Å; A368-F372 WeakPolarHBondContact O-CD2 3.46Å; A368-F372 PolarHBondContact O-N 2.93Å; A368-F372 VanDerWaalsContact O-N 3.16Å; F369-F372 PolarHBondContact O-N 2.86Å; F372-S376 VanDerWaalsContact O-CB 3.3Å; F372-S376 WeakPolarHBondContact O-CB 3.25Å; F372-S376 PolarHBondContact O-N 3.24Å; F372-V431 HydrophobicContact CZ-CG1 4.1Å; F372-L546 HydrophobicContact CD2-CD2 3.87Å; F372-L546 HydrophobicContact CE2-CD2 3.37Å; F372-L546 HydrophobicContact CZ-CD2 4.02Å; F372-L550 HydrophobicContact CE2-CD1 4.05Å; F372-L550 HydrophobicContact CZ-CD1 3.54Å; F372-L550 HydrophobicContact CZ-CG 4.38Å; F372-L553 HydrophobicContact CD1-CB 4.37Å; F372-L553 HydrophobicContact CD1-CD2 3.76Å; F372-L553 HydrophobicContact CD1-CG 3.61Å; F372-L553 HydrophobicContact CD2-CD2 4.15Å; F372-L553 HydrophobicContact CE1-CB 3.91Å; F372-L553 HydrophobicContact CE1-CD2 3.68Å; F372-L553 HydrophobicContact CE1-CG 3.61Å; F372-L553 HydrophobicContact CE2-CD2 4.1Å; F372-L553 HydrophobicContact CG-CD2 4.03Å; F372-L553 HydrophobicContact CG-CG 4.3Å; F372-L553 HydrophobicContact CZ-CD2 3.89Å; F372-L553 HydrophobicContact CZ-CG 4.31Å; F372-L554 HydrophobicContact CD1-CD2 4.24Å; F372-L554 HydrophobicContact CE1-CB 4.39Å; F372-L554 HydrophobicContact CE1-CD2 3.56Å; F372-L554 HydrophobicContact CE1-CG 3.71Å; F372-L554 HydrophobicContact CZ-CD2 4.08Å; F372-L554 HydrophobicContact CZ-CG 4.16Å; F372-V557 HydrophobicContact CB-CG2 4.47Å; F372-V557 HydrophobicContact CD1-CG2 3.74Å |
| 373 | W | 96.6 | Very high | 97.3 | Very high | 51 Ų | 51 | 9.6 Ų | 9.6 | 19% | 0.193 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -65.9 | -47.7 | 179.4 | -162.4 | 15.8 | 0 | 0 | 0 | 111.6 | F227 E249 L250 F369 L370 V371 S376 Y377 | F227-W373 HydrophobicContact CD2-CH2 4.25Å; F227-W373 HydrophobicContact CD2-CZ2 4.42Å; F227-W373 HydrophobicContact CD2-CZ3 4.33Å; F227-W373 AromaticContact CE2-CD2 3.62Å; F227-W373 HydrophobicContact CE2-CD2 3.62Å; F227-W373 AromaticContact CE2-CE2 3.55Å; F227-W373 AromaticContact CE2-CE3 3.78Å; F227-W373 HydrophobicContact CE2-CE3 3.78Å; F227-W373 HydrophobicContact CE2-CG 4.28Å; F227-W373 AromaticContact CE2-CH2 3.85Å; F227-W373 HydrophobicContact CE2-CH2 3.85Å; F227-W373 AromaticContact CE2-CZ2 3.69Å; F227-W373 HydrophobicContact CE2-CZ2 3.69Å; F227-W373 AromaticContact CE2-CZ3 3.89Å; F227-W373 HydrophobicContact CE2-CZ3 3.89Å; F227-W373 HydrophobicContact CZ-CD2 4.15Å; F227-W373 HydrophobicContact CZ-CG 4.35Å; E249-W373 HydrophobicContact CG-CZ2 4.36Å; L250-W373 HydrophobicContact CD2-CB 4.4Å; F369-W373 HydrophobicContact CD1-CB 4.45Å; F369-W373 HydrophobicContact CD1-CE3 4.32Å; F369-W373 HydrophobicContact CE1-CB 4.09Å; F369-W373 AromaticContact CE1-CD2 3.9Å; F369-W373 HydrophobicContact CE1-CD2 3.9Å; F369-W373 AromaticContact CE1-CE3 3.75Å; F369-W373 HydrophobicContact CE1-CE3 3.75Å; F369-W373 HydrophobicContact CE1-CG 4.11Å; F369-W373 HydrophobicContact CE1-CZ3 4.42Å; F369-W373 HydrophobicContact CZ-CB 4.48Å; F369-W373 HydrophobicContact CZ-CG 4.46Å; F369-W373 VanDerWaalsContact O-CB 3.29Å; F369-W373 WeakPolarHBondContact O-CB 3.41Å; F369-W373 PolarHBondContact O-N 3.47Å; L370-W373 HydrophobicContact CD2-CE3 3.92Å; L370-W373 HydrophobicContact CD2-CZ3 4.33Å; V371-W373 VanDerWaalsContact C-N 3.29Å; V371-W373 PolarHBondContact O-N 3.28Å; W373-S376 PolarHBondContact O-N 3.16Å; W373-Y377 AromaticContact CD1-CD2 3.68Å; W373-Y377 AromaticContact CD1-CE2 3.37Å; W373-Y377 AromaticContact NE1-CD2 3.94Å; W373-Y377 AromaticContact NE1-CE2 3.16Å; W373-Y377 AromaticContact NE1-CZ 3.75Å; W373-Y377 VanDerWaalsContact O-CD2 3.3Å; W373-Y377 WeakPolarHBondContact O-CD2 3.29Å; W373-Y377 PolarHBondContact O-N 3.35Å; W373-Y377 VanDerWaalsContact O-N 3.12Å |
| 374 | G | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L370 V371 Y377 A378 | L370-G374 PolarHBondContact O-N 2.88Å; V371-G374 PolarHBondContact O-N 3.37Å; G374-Y377 PolarHBondContact O-N 3.38Å; G374-A378 WeakPolarHBondContact O-CB 3.45Å; G374-A378 PolarHBondContact O-N 2.7Å |
| 375 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 173.9 | -77.6 | 178 | 0 | 0 | 0 | 111.7 | V371 Y377 A378 S379 M424 L427 R428 L554 V557 | V371-L375 HydrophobicContact CG1-CD1 3.91Å; V371-L375 HydrophobicContact CG1-CG 4.29Å; V371-L375 VanDerWaalsContact O-CB 3.27Å; V371-L375 WeakPolarHBondContact O-CB 3.47Å; V371-L375 VanDerWaalsContact O-CG 3.23Å; V371-L375 WeakPolarHBondContact O-CG 2.76Å; V371-L375 PolarHBondContact O-N 2.82Å; L375-Y377 VanDerWaalsContact C-N 3.34Å; L375-Y377 PolarHBondContact O-N 2.95Å; L375-A378 PolarHBondContact O-N 3.19Å; L375-S379 WeakPolarHBondContact O-CB 3.36Å; L375-S379 PolarHBondContact O-N 3.25Å; L375-S379 PolarHBondContact O-OG 3.39Å; L375-M424 HydrophobicContact CD2-CB 3.8Å; L375-M424 HydrophobicContact CD2-CE 4.31Å; L375-M424 HydrophobicContact CD2-CG 3.96Å; L375-L427 HydrophobicContact CD2-CB 4.27Å; L375-L427 HydrophobicContact CD2-CD1 4.45Å; L375-R428 HydrophobicContact CD1-CG 4.26Å; L375-L554 HydrophobicContact CD1-CD2 3.85Å; L375-V557 CarbonylContact C-O 3.55Å; L375-V557 HydrophobicContact CB-CB 4.41Å; L375-V557 HydrophobicContact CB-CG2 3.81Å; L375-V557 HydrophobicContact CD1-CG2 4.23Å; L375-V557 VanDerWaalsContact O-O 3.07Å |
| 376 | S | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.007 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 178.3 | -166.4 | 0 | 0 | 0 | 0 | 111.7 | R215 F372 W373 S379 D380 V557 | R215-S376 PolarHBondContact NH2-O 2.99Å; R215-S376 PolarHBondContact NH2-OG 3.43Å; F372-S376 VanDerWaalsContact O-CB 3.3Å; F372-S376 WeakPolarHBondContact O-CB 3.25Å; F372-S376 PolarHBondContact O-N 3.24Å; W373-S376 PolarHBondContact O-N 3.16Å; S376-S379 PolarHBondContact O-N 3.35Å; S376-D380 PolarHBondContact O-N 3.28Å; S376-D380 VanDerWaalsContact O-N 3.14Å; S376-V557 WeakPolarHBondContact CA-O 3.33Å; S376-V557 PolarHBondContact N-O 3.36Å |
| 377 | Y | 98.1 | Very high | 97.4 | Very high | 10 Ų | 10 | 8.9 Ų | 8.9 | 4% | 0.039 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -69.6 | -38.1 | 177.6 | -85.4 | -121 | 0 | 0 | 0 | 112.5 | R215 W222 F227 W373 G374 L375 D380 E381 | R215-Y377 VanDerWaalsContact CD-CE2 3.49Å; R215-Y377 WeakPolarHBondContact CD-OH 3.39Å; R215-Y377 VanDerWaalsContact CZ-CD2 3.49Å; R215-Y377 VanDerWaalsContact NH1-CE2 3.34Å; W222-Y377 AromaticContact CE2-CE1 3.93Å; W222-Y377 AromaticContact CH2-CD1 3.78Å; W222-Y377 HydrophobicContact CH2-CD1 3.78Å; W222-Y377 HydrophobicContact CH2-CE1 4.4Å; W222-Y377 AromaticContact CZ2-CD1 3.41Å; W222-Y377 HydrophobicContact CZ2-CD1 3.41Å; W222-Y377 VanDerWaalsContact CZ2-CD1 3.41Å; W222-Y377 AromaticContact CZ2-CE1 3.58Å; W222-Y377 HydrophobicContact CZ2-CE1 3.58Å; W222-Y377 AromaticContact NE1-CE1 3.97Å; F227-Y377 AromaticContact CE1-CD1 3.78Å; F227-Y377 HydrophobicContact CE1-CD1 3.78Å; F227-Y377 HydrophobicContact CE1-CE1 4.11Å; F227-Y377 HydrophobicContact CE1-CG 4.14Å; F227-Y377 AromaticContact CZ-CD1 3.93Å; F227-Y377 HydrophobicContact CZ-CD1 3.93Å; F227-Y377 HydrophobicContact CZ-CD2 4.21Å; F227-Y377 HydrophobicContact CZ-CE1 4Å; F227-Y377 HydrophobicContact CZ-CE2 4.29Å; F227-Y377 HydrophobicContact CZ-CG 4.03Å; W373-Y377 AromaticContact CD1-CD2 3.68Å; W373-Y377 AromaticContact CD1-CE2 3.37Å; W373-Y377 AromaticContact NE1-CD2 3.94Å; W373-Y377 AromaticContact NE1-CE2 3.16Å; W373-Y377 AromaticContact NE1-CZ 3.75Å; W373-Y377 VanDerWaalsContact O-CD2 3.3Å; W373-Y377 WeakPolarHBondContact O-CD2 3.29Å; W373-Y377 PolarHBondContact O-N 3.35Å; W373-Y377 VanDerWaalsContact O-N 3.12Å; G374-Y377 PolarHBondContact O-N 3.38Å; L375-Y377 VanDerWaalsContact C-N 3.34Å; L375-Y377 PolarHBondContact O-N 2.95Å; Y377-D380 PolarHBondContact O-N 3.32Å; Y377-E381 PolarHBondContact O-N 2.86Å |
| 378 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L350 G374 L375 D380 E381 V382 L420 M424 | L350-A378 HydrophobicContact CD1-CB 3.69Å; G374-A378 WeakPolarHBondContact O-CB 3.45Å; G374-A378 PolarHBondContact O-N 2.7Å; L375-A378 PolarHBondContact O-N 3.19Å; A378-D380 VanDerWaalsContact C-N 3.34Å; A378-D380 PolarHBondContact O-N 2.97Å; A378-E381 PolarHBondContact O-N 3.13Å; A378-V382 VanDerWaalsContact O-CG2 3.32Å; A378-V382 WeakPolarHBondContact O-CG2 3.46Å; A378-V382 PolarHBondContact O-N 3.11Å; A378-L420 HydrophobicContact CB-CD1 4.14Å; A378-M424 HydrophobicContact CB-CE 3.81Å; A378-M424 HydrophobicContact CB-CG 4.04Å; A378-M424 HydrophobicContact CB-SD 3.62Å |
| 379 | S | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 9.1 Ų | 9.1 | 6% | 0.056 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 174.7 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | L375 S376 E381 V382 H383 M424 V557 S558 | L375-S379 WeakPolarHBondContact O-CB 3.36Å; L375-S379 PolarHBondContact O-N 3.25Å; L375-S379 PolarHBondContact O-OG 3.39Å; S376-S379 PolarHBondContact O-N 3.35Å; S379-E381 VanDerWaalsContact C-N 3.28Å; S379-E381 PolarHBondContact O-N 3.36Å; S379-V382 PolarHBondContact O-N 3.43Å; S379-H383 WeakPolarHBondContact O-CB 3.13Å; S379-H383 PolarHBondContact O-N 3.26Å; S379-H383 PolarHBondContact O-ND1 3.1Å; S379-M424 WeakPolarHBondContact OG-CE 3.41Å; S379-V557 WeakPolarHBondContact CB-O 3.48Å; S379-V557 PolarHBondContact OG-O 3.02Å; S379-S558 WeakPolarHBondContact OG-CA 3.48Å |
| 380 | D | 97.9 | Very high | 97 | Very high | 14 Ų | 14 | 10.9 Ų | 10.9 | 8% | 0.075 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -55.1 | -45.7 | 177.6 | -69.4 | -29.9 | 0 | 0 | 0 | 112.1 | R215 Y253 S376 Y377 A378 H383 W384 | R215-D380 IonicContact CZ-OD2 2.84Å; R215-D380 IonicContact NE-OD2 3.54Å; R215-D380 PolarHBondContact NE-OD2 3.22Å; R215-D380 IonicContact NH2-OD1 3.59Å; R215-D380 IonicContact NH2-OD2 2.95Å; R215-D380 PolarHBondContact NH2-OD2 2.94Å; Y253-D380 WeakPolarHBondContact CB-OD1 3.19Å; Y253-D380 VanDerWaalsContact CB-OD2 3.3Å; Y253-D380 WeakPolarHBondContact CB-OD2 3.34Å; Y253-D380 PolarHBondContact N-OD1 3.2Å; Y253-D380 PolarHBondContact N-OD2 3.11Å; S376-D380 PolarHBondContact O-N 3.28Å; S376-D380 VanDerWaalsContact O-N 3.14Å; Y377-D380 PolarHBondContact O-N 3.32Å; A378-D380 VanDerWaalsContact C-N 3.34Å; A378-D380 PolarHBondContact O-N 2.97Å; D380-H383 PolarHBondContact O-N 2.71Å; D380-W384 WeakPolarHBondContact O-CB 2.77Å; D380-W384 PolarHBondContact O-N 3.38Å |
| 381 | E | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 11.1 Ų | 11.1 | 2% | 0.019 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -69.8 | -34.9 | -178.5 | -67.4 | -61.4 | 140.6 | 0 | 0 | 112.8 | H339 R342 R343 L346 Y377 A378 S379 L385 | H339-E381 WeakPolarHBondContact CA-OE2 3.5Å; H339-E381 WeakPolarHBondContact CB-OE2 3.27Å; H339-E381 IonicContact CE1-OE1 3.16Å; H339-E381 IonicContact CG-OE2 3Å; H339-E381 IonicContact ND1-OE1 2.97Å; H339-E381 PolarHBondContact ND1-OE1 3.42Å; H339-E381 IonicContact ND1-OE2 3.99Å; H339-E381 PolarHBondContact ND1-OE2 3.23Å; R342-E381 HydrophobicContact CB-CG 4.1Å; R342-E381 WeakPolarHBondContact CD-OE1 3.25Å; R342-E381 IonicContact CZ-OE1 2.72Å; R342-E381 IonicContact NE-OE1 3.27Å; R342-E381 IonicContact NH1-OE1 3.61Å; R342-E381 PolarHBondContact NH1-OE1 3.35Å; R343-E381 HydrophobicContact CG-CB 3.56Å; R343-E381 HydrophobicContact CG-CG 4.2Å; L346-E381 HydrophobicContact CD1-CG 3.78Å; Y377-E381 PolarHBondContact O-N 2.86Å; A378-E381 PolarHBondContact O-N 3.13Å; S379-E381 VanDerWaalsContact C-N 3.28Å; S379-E381 PolarHBondContact O-N 3.36Å; E381-L385 VanDerWaalsContact O-CB 3.31Å; E381-L385 WeakPolarHBondContact O-CB 3.49Å; E381-L385 PolarHBondContact O-N 3.31Å |
| 382 | V | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.012 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.9 | -49.9 | 173.9 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | A378 S379 W384 L385 L386 L417 L420 L421 M424 M560 F563 | A378-V382 VanDerWaalsContact O-CG2 3.32Å; A378-V382 WeakPolarHBondContact O-CG2 3.46Å; A378-V382 PolarHBondContact O-N 3.11Å; S379-V382 PolarHBondContact O-N 3.43Å; V382-W384 VanDerWaalsContact C-N 3.34Å; V382-W384 PolarHBondContact O-N 3.15Å; V382-L385 PolarHBondContact O-N 3.24Å; V382-L386 WeakPolarHBondContact O-CB 3.49Å; V382-L386 PolarHBondContact O-N 3.49Å; V382-L417 HydrophobicContact CG2-CD1 4.02Å; V382-L420 HydrophobicContact CG2-CD2 4.1Å; V382-L421 HydrophobicContact CG1-CD2 3.95Å; V382-L421 HydrophobicContact CG2-CD2 4.02Å; V382-M424 HydrophobicContact CG2-SD 4.18Å; V382-M560 HydrophobicContact CB-CE 4.02Å; V382-M560 HydrophobicContact CB-SD 4.27Å; V382-M560 HydrophobicContact CG1-CE 4.05Å; V382-M560 HydrophobicContact CG1-SD 3.65Å; V382-M560 HydrophobicContact CG2-CE 4.12Å; V382-F563 HydrophobicContact CG1-CE2 3.73Å; V382-F563 HydrophobicContact CG1-CZ 3.84Å |
| 383 | H | 97.9 | Very high | 95.2 | Very high | 38 Ų | 38 | 15.9 Ų | 15.9 | 18% | 0.176 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 179.2 | -73.7 | 83.1 | 0 | 0 | 0 | 111.3 | S379 D380 L386 R387 D559 I562 | S379-H383 WeakPolarHBondContact O-CB 3.13Å; S379-H383 PolarHBondContact O-N 3.26Å; S379-H383 PolarHBondContact O-ND1 3.1Å; D380-H383 PolarHBondContact O-N 2.71Å; H383-L386 PolarHBondContact O-N 2.8Å; H383-R387 VanDerWaalsContact O-CB 3.24Å; H383-R387 WeakPolarHBondContact O-CB 3.27Å; H383-R387 PolarHBondContact O-N 3.36Å; H383-D559 PolarHBondContact CE1-O 3.28Å; H383-D559 VanDerWaalsContact CE1-O 3.23Å; H383-I562 WeakPolarHBondContact NE2-CG2 3.5Å |
| 384 | W | 97.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.4 | -49.6 | 175.4 | -174.9 | 98.2 | 0 | 0 | 0 | 110.9 | H286 T335 P336 H339 D380 V382 R387 H388 L412 | H286-W384 PolarHBondContact O-NE1 3.22Å; T335-W384 HydrophobicContact CG2-CZ2 4.27Å; P336-W384 HydrophobicContact CB-CH2 4.26Å; P336-W384 HydrophobicContact CG-CH2 4.28Å; H339-W384 HydrophobicContact CB-CD2 4.28Å; H339-W384 HydrophobicContact CB-CE3 3.79Å; H339-W384 HydrophobicContact CB-CH2 4.32Å; H339-W384 HydrophobicContact CB-CZ3 3.82Å; H339-W384 AromaticContact CD2-CD2 3.56Å; H339-W384 AromaticContact CD2-CE2 3.22Å; H339-W384 AromaticContact CD2-CE3 3.89Å; H339-W384 AromaticContact CD2-CH2 3.78Å; H339-W384 AromaticContact CD2-CZ2 3.36Å; H339-W384 WeakPolarHBondContact CD2-CZ2 3.35Å; H339-W384 AromaticContact CD2-NE1 3.62Å; H339-W384 AromaticContact CE1-CD1 3.7Å; H339-W384 AromaticContact CE1-CD2 3.97Å; H339-W384 AromaticContact CE1-CG 3.85Å; H339-W384 AromaticContact CE1-NE1 3.76Å; H339-W384 AromaticContact CG-CD2 3.68Å; H339-W384 AromaticContact CG-CE2 3.86Å; H339-W384 AromaticContact CG-CE3 3.72Å; H339-W384 AromaticContact ND1-CD2 3.94Å; H339-W384 AromaticContact NE2-CD1 3.66Å; H339-W384 AromaticContact NE2-CD2 3.81Å; H339-W384 AromaticContact NE2-CE2 3.39Å; H339-W384 AromaticContact NE2-CZ2 3.9Å; H339-W384 AromaticContact NE2-NE1 3.22Å; H339-W384 PolarHBondContact NE2-NE1 2.99Å; D380-W384 WeakPolarHBondContact O-CB 2.77Å; D380-W384 PolarHBondContact O-N 3.38Å; V382-W384 VanDerWaalsContact C-N 3.34Å; V382-W384 PolarHBondContact O-N 3.15Å; W384-R387 PolarHBondContact O-N 3.04Å; W384-H388 AromaticContact CD1-CE1 3.35Å; W384-H388 AromaticContact CD1-ND1 3.71Å; W384-H388 AromaticContact CD2-CE1 3.88Å; W384-H388 AromaticContact CD2-ND1 3.57Å; W384-H388 AromaticContact CE2-CD2 3.87Å; W384-H388 AromaticContact CE2-CE1 3.37Å; W384-H388 AromaticContact CE2-CG 3.77Å; W384-H388 AromaticContact CE2-ND1 3.45Å; W384-H388 AromaticContact CE2-NE2 3.65Å; W384-H388 AromaticContact CG-CE1 3.83Å; W384-H388 AromaticContact CG-ND1 3.7Å; W384-H388 HydrophobicContact CH2-CB 4.29Å; W384-H388 HydrophobicContact CZ2-CB 4.47Å; W384-H388 AromaticContact CZ2-CD2 3.65Å; W384-H388 AromaticContact CZ2-CE1 3.95Å; W384-H388 AromaticContact CZ2-CG 3.79Å; W384-H388 AromaticContact CZ2-ND1 3.96Å; W384-H388 AromaticContact CZ2-NE2 3.79Å; W384-H388 HydrophobicContact CZ3-CB 4.36Å; W384-H388 AromaticContact NE1-CE1 3.06Å; W384-H388 PolarHBondContact NE1-CE1 3.27Å; W384-H388 AromaticContact NE1-ND1 3.58Å; W384-H388 AromaticContact NE1-NE2 3.49Å; W384-H388 PolarHBondContact NE1-NE2 2.97Å; W384-H388 WeakPolarHBondContact O-CB 3.35Å; W384-H388 PolarHBondContact O-N 3.46Å; W384-H388 PolarHBondContact O-ND1 3.45Å; W384-L412 HydrophobicContact CH2-CD2 3.96Å; W384-L412 HydrophobicContact CZ3-CD2 3.9Å |
| 385 | L | 96.5 | Very high | 91.5 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.7 | -45.7 | -179.6 | -177.9 | 65.4 | 0 | 0 | 0 | 111.8 | E381 V382 H388 S389 L412 D414 L417 | E381-L385 VanDerWaalsContact O-CB 3.31Å; E381-L385 WeakPolarHBondContact O-CB 3.49Å; E381-L385 PolarHBondContact O-N 3.31Å; V382-L385 PolarHBondContact O-N 3.24Å; L385-H388 PolarHBondContact O-N 3.09Å; L385-S389 WeakPolarHBondContact O-CB 3.48Å; L385-S389 PolarHBondContact O-N 3.28Å; L385-S389 PolarHBondContact O-OG 3.33Å; L385-L412 HydrophobicContact CD1-CD2 4.45Å; L385-L412 WeakPolarHBondContact CD1-O 3.13Å; L385-D414 HydrophobicContact CD2-CB 3.85Å; L385-L417 HydrophobicContact CD2-CD1 4.14Å; L385-L417 HydrophobicContact CD2-CD2 3.93Å; L385-L417 HydrophobicContact CD2-CG 4.49Å |
| 386 | L | 96.6 | Very high | 88.8 | Confident | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -49.6 | 179.4 | -175.7 | 61.2 | 0 | 0 | 0 | 110.8 | V382 H383 H388 S389 A390 I562 F563 Y566 K569 | V382-L386 WeakPolarHBondContact O-CB 3.49Å; V382-L386 PolarHBondContact O-N 3.49Å; H383-L386 PolarHBondContact O-N 2.8Å; L386-H388 PolarHBondContact O-N 3.15Å; L386-S389 PolarHBondContact O-OG 3.22Å; L386-S389 VanDerWaalsContact O-OG 3.1Å; L386-A390 VanDerWaalsContact O-CB 3.28Å; L386-A390 WeakPolarHBondContact O-CB 3.47Å; L386-A390 PolarHBondContact O-N 3.35Å; L386-I562 HydrophobicContact CD2-CG1 4.41Å; L386-I562 HydrophobicContact CD2-CG2 3.89Å; L386-F563 HydrophobicContact CD1-CD1 4.21Å; L386-F563 HydrophobicContact CD1-CE1 3.99Å; L386-F563 HydrophobicContact CD2-CD1 4.05Å; L386-F563 HydrophobicContact CD2-CD2 4.37Å; L386-F563 HydrophobicContact CD2-CE1 4.14Å; L386-F563 HydrophobicContact CD2-CE2 4.46Å; L386-F563 HydrophobicContact CD2-CG 4.18Å; L386-F563 HydrophobicContact CD2-CZ 4.35Å; L386-Y566 HydrophobicContact CD1-CD2 4.27Å; L386-Y566 HydrophobicContact CD1-CG 4.01Å; L386-Y566 HydrophobicContact CD2-CD2 3.54Å; L386-Y566 HydrophobicContact CD2-CE2 3.98Å; L386-Y566 HydrophobicContact CD2-CG 4.13Å; L386-Y566 HydrophobicContact CG-CD2 3.77Å; L386-Y566 HydrophobicContact CG-CE2 4.1Å; L386-Y566 HydrophobicContact CG-CG 3.97Å; L386-K569 HydrophobicContact CD1-CB 4.21Å; L386-K569 HydrophobicContact CD1-CG 3.9Å |
| 387 | R | 95.7 | Very high | 86 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.5 | -49.1 | 178.5 | 177.5 | 170.3 | 70.2 | -113.2 | 14.7 | 112.7 | E254 E257 V289 V291 V297 H383 W384 N391 | E254-R387 IonicContact OE2-CZ 3.06Å; E254-R387 IonicContact OE2-NH1 2.65Å; E254-R387 PolarHBondContact OE2-NH1 2.96Å; E257-R387 IonicContact OE2-CZ 2.8Å; E257-R387 IonicContact OE2-NH2 3.5Å; E257-R387 PolarHBondContact OE2-NH2 2.91Å; V289-R387 HydrophobicContact CG1-CG 4.01Å; V289-R387 HydrophobicContact CG2-CG 4.25Å; V289-R387 WeakPolarHBondContact O-CD 3.4Å; V289-R387 PolarHBondContact O-NE 2.99Å; V291-R387 VanDerWaalsContact CG2-CD 3.42Å; V297-R387 HydrophobicContact CG1-CG 4.04Å; H383-R387 VanDerWaalsContact O-CB 3.24Å; H383-R387 WeakPolarHBondContact O-CB 3.27Å; H383-R387 PolarHBondContact O-N 3.36Å; W384-R387 PolarHBondContact O-N 3.04Å; R387-N391 WeakPolarHBondContact O-CB 3.19Å; R387-N391 PolarHBondContact O-N 2.82Å; R387-N391 PolarHBondContact O-ND2 3.44Å |
| 388 | H | 94.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -74 | -37.3 | -175.6 | -71.9 | 74.3 | 0 | 0 | 0 | 112 | S287 Y288 W384 L385 L386 A390 N391 L412 | S287-H388 PolarHBondContact OG-CE1 2.92Å; S287-H388 PolarHBondContact OG-NE2 3.39Å; Y288-H388 AromaticContact CD1-CD2 3.97Å; Y288-H388 AromaticContact CE1-CD2 3.51Å; Y288-H388 AromaticContact CZ-CD2 3.64Å; Y288-H388 PolarHBondContact OH-O 3.33Å; W384-H388 AromaticContact CD1-CE1 3.35Å; W384-H388 AromaticContact CD1-ND1 3.71Å; W384-H388 AromaticContact CD2-CE1 3.88Å; W384-H388 AromaticContact CD2-ND1 3.57Å; W384-H388 AromaticContact CE2-CD2 3.87Å; W384-H388 AromaticContact CE2-CE1 3.37Å; W384-H388 AromaticContact CE2-CG 3.77Å; W384-H388 AromaticContact CE2-ND1 3.45Å; W384-H388 AromaticContact CE2-NE2 3.65Å; W384-H388 AromaticContact CG-CE1 3.83Å; W384-H388 AromaticContact CG-ND1 3.7Å; W384-H388 HydrophobicContact CH2-CB 4.29Å; W384-H388 HydrophobicContact CZ2-CB 4.47Å; W384-H388 AromaticContact CZ2-CD2 3.65Å; W384-H388 AromaticContact CZ2-CE1 3.95Å; W384-H388 AromaticContact CZ2-CG 3.79Å; W384-H388 AromaticContact CZ2-ND1 3.96Å; W384-H388 AromaticContact CZ2-NE2 3.79Å; W384-H388 HydrophobicContact CZ3-CB 4.36Å; W384-H388 AromaticContact NE1-CE1 3.06Å; W384-H388 PolarHBondContact NE1-CE1 3.27Å; W384-H388 AromaticContact NE1-ND1 3.58Å; W384-H388 AromaticContact NE1-NE2 3.49Å; W384-H388 PolarHBondContact NE1-NE2 2.97Å; W384-H388 WeakPolarHBondContact O-CB 3.35Å; W384-H388 PolarHBondContact O-N 3.46Å; W384-H388 PolarHBondContact O-ND1 3.45Å; L385-H388 PolarHBondContact O-N 3.09Å; L386-H388 PolarHBondContact O-N 3.15Å; H388-A390 VanDerWaalsContact C-N 3.33Å; H388-N391 CarbonylContact O-C 3.57Å; H388-N391 VanDerWaalsContact O-C 3.29Å; H388-N391 PolarHBondContact O-N 3.17Å; H388-L412 HydrophobicContact CB-CD2 4.24Å |
| 389 | S | 92.6 | Very high | 79.8 | Confident | 21 Ų | 21 | 49.9 Ų | 49.9 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.7 | -31.4 | 176.3 | 66.6 | 0 | 0 | 0 | 0 | 112.9 | L385 L386 N391 K569 | L385-S389 WeakPolarHBondContact O-CB 3.48Å; L385-S389 PolarHBondContact O-N 3.28Å; L385-S389 PolarHBondContact O-OG 3.33Å; L386-S389 PolarHBondContact O-OG 3.22Å; L386-S389 VanDerWaalsContact O-OG 3.1Å; S389-N391 VanDerWaalsContact C-N 3.35Å; S389-K569 WeakPolarHBondContact OG-CE 3.43Å |
| 390 | A | 92.7 | Very high | 76.8 | Confident | 40 Ų | 40 | 55.7 Ų | 55.7 | 33% | 0.331 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -77.7 | -18.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L386 H388 P392 Y566 | L386-A390 VanDerWaalsContact O-CB 3.28Å; L386-A390 WeakPolarHBondContact O-CB 3.47Å; L386-A390 PolarHBondContact O-N 3.35Å; H388-A390 VanDerWaalsContact C-N 3.33Å; A390-P392 WeakPolarHBondContact O-CD 3.39Å; A390-Y566 HydrophobicContact CB-CD1 3.43Å; A390-Y566 VanDerWaalsContact CB-CD1 3.43Å; A390-Y566 HydrophobicContact CB-CE1 3.34Å |
| 391 | N | 92.1 | Very high | 73.8 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 13% | 0.128 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -125.3 | 64.5 | -178.3 | -65.3 | -84.4 | 0 | 0 | 0 | 111.6 | Y288 V289 V297 Y299 R387 H388 S389 | Y288-N391 VanDerWaalsContact CE2-O 3.27Å; Y288-N391 WeakPolarHBondContact CE2-O 3.49Å; Y288-N391 PolarHBondContact OH-O 2.98Å; V289-N391 HydrophobicContact CG2-CB 4.08Å; V297-N391 WeakPolarHBondContact CG2-OD1 3.32Å; Y299-N391 PolarHBondContact OH-OD1 2.75Å; R387-N391 WeakPolarHBondContact O-CB 3.19Å; R387-N391 PolarHBondContact O-N 2.82Å; R387-N391 PolarHBondContact O-ND2 3.44Å; H388-N391 CarbonylContact O-C 3.57Å; H388-N391 VanDerWaalsContact O-C 3.29Å; H388-N391 PolarHBondContact O-N 3.17Å; S389-N391 VanDerWaalsContact C-N 3.35Å |
| 392 | P | 85.7 | Confident | 70.6 | Confident | 68 Ų | 68 | 62.3 Ų | 62.3 | 44% | 0.442 | 37% | 0.372 | S | S | . | . | trans | -70.7 | 142.9 | 177.5 | 30.2 | -34.8 | 0 | 0 | 0 | 111.2 | A390 V394 | A390-P392 WeakPolarHBondContact O-CD 3.39Å; P392-V394 PolarHBondContact O-N 3.12Å | ||
| 393 | I | 76.7 | Confident | 67.5 | Low | 34 Ų | 34 | 74.1 Ų | 74.1 | 17% | 0.174 | 42% | 0.416 | C | S | . | . | trans | -75.7 | 111.5 | 176.6 | -62.1 | 159.9 | 0 | 0 | 0 | 109.5 | Y288 F328 C332 K395 F407 | Y288-I393 HydrophobicContact CD1-CD1 3.74Å; Y288-I393 HydrophobicContact CD2-CD1 3.72Å; Y288-I393 HydrophobicContact CD2-CG1 3.84Å; Y288-I393 HydrophobicContact CE1-CD1 3.84Å; Y288-I393 HydrophobicContact CE1-CG1 4.41Å; Y288-I393 HydrophobicContact CE2-CD1 3.86Å; Y288-I393 HydrophobicContact CE2-CG1 3.67Å; Y288-I393 HydrophobicContact CG-CD1 3.68Å; Y288-I393 HydrophobicContact CG-CG1 4.32Å; F328-I393 HydrophobicContact CE2-CD1 3.76Å; F328-I393 HydrophobicContact CZ-CD1 3.74Å; F328-I393 HydrophobicContact CZ-CG2 4.47Å; C332-I393 WeakPolarHBondContact SG-CD1 3.28Å; I393-K395 PolarHBondContact O-N 3.37Å; I393-F407 HydrophobicContact CB-CE2 3.92Å; I393-F407 HydrophobicContact CB-CZ 4.4Å; I393-F407 HydrophobicContact CD1-CE2 4.49Å; I393-F407 HydrophobicContact CD1-CZ 4.25Å | ||
| 394 | V | 63.9 | Low | 64.5 | Low | 125 Ų | 125 | 77.9 Ų | 77.9 | 76% | 0.758 | 44% | 0.442 | S | S | * | . | trans | -81.2 | 103.4 | 170.4 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | P392 K396 | P392-V394 PolarHBondContact O-N 3.12Å; V394-K396 PolarHBondContact O-N 3.35Å; V394-K396 VanDerWaalsContact O-N 3.1Å | ||
| 395 | K | 53.3 | Low | 61.6 | Low | 144 Ų | 144 | 79.4 Ų | 79.4 | 63% | 0.626 | 46% | 0.459 | S | S | * | . | trans | -66.5 | 111.8 | 167.6 | -79.7 | -168.8 | 177.3 | -176.1 | 0 | 109 | I393 S397 P406 | I393-K395 PolarHBondContact O-N 3.37Å; K395-S397 PolarHBondContact O-N 3.44Å; K395-P406 HydrophobicContact CD-CG 3.92Å | ||
| 396 | K | 42.6 | Very low | 59.1 | Low | 205 Ų | 205 | 83.1 Ų | 83.1 | 89% | 0.891 | 48% | 0.483 | S | S | * | . | trans | -70.5 | 36.3 | 166.6 | -79.7 | -174.4 | 174.7 | 177.3 | 0 | 113 | V394 S398 | V394-K396 PolarHBondContact O-N 3.35Å; V394-K396 VanDerWaalsContact O-N 3.1Å; K396-S398 PolarHBondContact O-N 3.03Å; K396-S398 VanDerWaalsContact O-N 3.08Å | ||
| 397 | S | 37.6 | Very low | 56.8 | Low | 85 Ų | 85 | 85.2 Ų | 85.2 | 59% | 0.594 | 49% | 0.492 | S | S | * | . | trans | -73 | 106.4 | 170 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | K395 T399 | K395-S397 PolarHBondContact O-N 3.44Å; S397-T399 PolarHBondContact O-N 2.92Å; S397-T399 VanDerWaalsContact O-N 3.13Å | ||
| 398 | S | 33.8 | Very low | 54.6 | Low | 119 Ų | 119 | 87.6 Ų | 87.6 | 83% | 0.832 | 51% | 0.509 | S | S | * | . | trans | -74.5 | 15 | -175.3 | 52.1 | 0 | 0 | 0 | 0 | 114.7 | K396 | K396-S398 PolarHBondContact O-N 3.03Å; K396-S398 VanDerWaalsContact O-N 3.08Å | ||
| 399 | T | 34.5 | Very low | 52.7 | Low | 97 Ų | 97 | 91.4 Ų | 91.4 | 60% | 0.595 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -138.4 | 121.1 | -177 | 46.6 | 0 | 0 | 0 | 0 | 110.3 | S397 | S397-T399 PolarHBondContact O-N 2.92Å; S397-T399 VanDerWaalsContact O-N 3.13Å |
| 400 | V | 35 | Very low | 51.4 | Low | 130 Ų | 130 | 95.8 Ų | 95.8 | 79% | 0.788 | 56% | 0.558 | S | S | * | * | trans | 72.8 | 106.2 | 178.6 | -163.4 | 0 | 0 | 0 | 0 | 112.9 | S402 | V400-S402 PolarHBondContact O-N 2.95Š| ||
| 401 | A | 33.8 | Very low | 50.5 | Low | 98 Ų | 98 | 98.2 Ų | 98.2 | 81% | 0.81 | 56% | 0.562 | S | S | * | * | trans | -62.9 | 57 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R403 | A401-R403 VanDerWaalsContact C-N 3.35Å; A401-R403 PolarHBondContact O-N 3.32Å | ||
| 402 | S | 31.4 | Very low | 50.3 | Low | 59 Ų | 59 | 97.7 Ų | 97.7 | 41% | 0.413 | 56% | 0.559 | S | S | . | * | trans | -58.7 | 105.3 | 160.6 | 156.5 | 0 | 0 | 0 | 0 | 104.8 | V400 T404 G405 | V400-S402 PolarHBondContact O-N 2.95Å; S402-T404 PolarHBondContact O-N 3.02Å; S402-T404 VanDerWaalsContact OG-C 3.31Å; S402-T404 PolarHBondContact OG-N 2.99Å; S402-T404 PolarHBondContact OG-O 3.31Å; S402-T404 PolarHBondContact OG-OG1 2.88Å; S402-G405 PolarHBondContact O-N 3.09Å | ||
| 403 | R | 34.5 | Very low | 50.3 | Low | 250 Ų | 250 | 97.2 Ų | 97.2 | 94% | 0.943 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -62.6 | 8.9 | 169.3 | -65 | 179.7 | -177.6 | 173.8 | 0.1 | 112.4 | A401 | A401-R403 VanDerWaalsContact C-N 3.35Å; A401-R403 PolarHBondContact O-N 3.32Å |
| 404 | T | 34.7 | Very low | 51.1 | Low | 117 Ų | 117 | 96.5 Ų | 96.5 | 72% | 0.718 | 55% | 0.55 | S | S | * | . | trans | -122.8 | 50.6 | 174.1 | 63.9 | 0 | 0 | 0 | 0 | 108.4 | S402 | S402-T404 PolarHBondContact O-N 3.02Å; S402-T404 VanDerWaalsContact OG-C 3.31Å; S402-T404 PolarHBondContact OG-N 2.99Å; S402-T404 PolarHBondContact OG-O 3.31Å; S402-T404 PolarHBondContact OG-OG1 2.88Å | ||
| 405 | G | 36 | Very low | 52.4 | Low | 35 Ų | 35 | 94.1 Ų | 94.1 | 36% | 0.361 | 54% | 0.537 | S | S | . | . | trans | -53.4 | 155 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | S402 F407 | S402-G405 PolarHBondContact O-N 3.09Å; G405-F407 CarbonylContact O-C 3.59Å; G405-F407 PolarHBondContact O-N 3.02Å | ||
| 406 | P | 43.5 | Very low | 54.5 | Low | 85 Ų | 85 | 91.7 Ų | 91.7 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -61.2 | -4 | -173.5 | 24.6 | -33.6 | 0 | 0 | 0 | 114.6 | K395 | K395-P406 HydrophobicContact CD-CG 3.92Š|
| 407 | F | 47.8 | Very low | 57.1 | Low | 49 Ų | 49 | 82.2 Ų | 82.2 | 22% | 0.215 | 49% | 0.485 | C | S | . | . | trans | -106.2 | 107.4 | 163.5 | -63.6 | -78.3 | 0 | 0 | 0 | 109.2 | C332 I393 G405 S409 | C332-F407 HydrophobicContact CB-CZ 4.44Å; I393-F407 HydrophobicContact CB-CE2 3.92Å; I393-F407 HydrophobicContact CB-CZ 4.4Å; I393-F407 HydrophobicContact CD1-CE2 4.49Å; I393-F407 HydrophobicContact CD1-CZ 4.25Å; G405-F407 CarbonylContact O-C 3.59Å; G405-F407 PolarHBondContact O-N 3.02Å; F407-S409 PolarHBondContact O-N 2.88Å | ||
| 408 | S | 49.3 | Very low | 60 | Low | 54 Ų | 54 | 78.4 Ų | 78.4 | 38% | 0.378 | 46% | 0.459 | S | S | . | . | trans | -65.4 | 120.4 | 133.9 | 52.1 | 0 | 0 | 0 | 0 | 105.2 | D410 E411 | S408-D410 PolarHBondContact O-N 3.4Å; S408-E411 PolarHBondContact O-N 3.08Å; S408-E411 VanDerWaalsContact O-N 3.16Å | ||
| 409 | S | 55.5 | Low | 63 | Low | 81 Ų | 81 | 74 Ų | 74 | 57% | 0.566 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -47.8 | -20.9 | 168.3 | 53.5 | 0 | 0 | 0 | 0 | 112.3 | F407 E411 L412 N413 | F407-S409 PolarHBondContact O-N 2.88Å; S409-E411 VanDerWaalsContact C-N 3.28Å; S409-E411 PolarHBondContact O-N 3.42Å; S409-L412 PolarHBondContact O-N 3.31Å; S409-N413 VanDerWaalsContact O-CG 3.32Å; S409-N413 PolarHBondContact O-N 3.44Å; S409-N413 PolarHBondContact O-ND2 3.27Å |
| 410 | D | 64.9 | Low | 66.1 | Low | 112 Ų | 112 | 69.3 Ų | 69.3 | 60% | 0.599 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -55.9 | -28.7 | 178.3 | -55.5 | -18.6 | 0 | 0 | 0 | 114.7 | S408 N413 | S408-D410 PolarHBondContact O-N 3.4Å; D410-N413 PolarHBondContact O-N 2.91Å |
| 411 | E | 74.1 | Confident | 69.1 | Low | 91 Ų | 91 | 63.4 Ų | 63.4 | 43% | 0.425 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -77.6 | -26.2 | -179.5 | -68.7 | -170.4 | 175.3 | 0 | 0 | 113.7 | S408 S409 N413 | S408-E411 PolarHBondContact O-N 3.08Å; S408-E411 VanDerWaalsContact O-N 3.16Å; S409-E411 VanDerWaalsContact C-N 3.28Å; S409-E411 PolarHBondContact O-N 3.42Å; E411-N413 VanDerWaalsContact C-N 3.32Å |
| 412 | L | 87.4 | Confident | 72.2 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -93.6 | 7.1 | 173.1 | -66.5 | 175 | 0 | 0 | 0 | 112 | P336 W384 L385 H388 S409 | P336-L412 HydrophobicContact CB-CD2 4.16Å; P336-L412 HydrophobicContact CG-CD2 4.49Å; W384-L412 HydrophobicContact CH2-CD2 3.96Å; W384-L412 HydrophobicContact CZ3-CD2 3.9Å; L385-L412 HydrophobicContact CD1-CD2 4.45Å; L385-L412 WeakPolarHBondContact CD1-O 3.13Å; H388-L412 HydrophobicContact CB-CD2 4.24Å; S409-L412 PolarHBondContact O-N 3.31Å |
| 413 | N | 86.9 | Confident | 75.4 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 31% | 0.31 | 31% | 0.307 | S | S | . | . | trans | -97.8 | 120.6 | 172.6 | -72.9 | -27.5 | 0 | 0 | 0 | 109.1 | S409 D410 E411 | S409-N413 VanDerWaalsContact O-CG 3.32Å; S409-N413 PolarHBondContact O-N 3.44Å; S409-N413 PolarHBondContact O-ND2 3.27Å; D410-N413 PolarHBondContact O-N 2.91Å; E411-N413 VanDerWaalsContact C-N 3.32Å | ||
| 414 | D | 93.1 | Very high | 78.5 | Confident | 20 Ų | 20 | 45.4 Ų | 45.4 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | trans | -115.3 | 98.9 | 173.6 | -171.6 | -16.6 | 0 | 0 | 0 | 109.6 | R343 R347 L385 F416 L417 | R343-D414 IonicContact CZ-OD2 3.76Å; R343-D414 IonicContact NE-OD2 3Å; R343-D414 PolarHBondContact NE-OD2 3.47Å; R343-D414 IonicContact NH2-OD2 3.46Å; R347-D414 IonicContact NH2-OD1 3.2Å; R347-D414 PolarHBondContact NH2-OD1 3.01Å; R347-D414 IonicContact NH2-OD2 2.72Å; R347-D414 PolarHBondContact NH2-OD2 3.05Å; L385-D414 HydrophobicContact CD2-CB 3.85Å; D414-F416 PolarHBondContact O-N 2.85Å; D414-F416 WeakPolarHBondContact OD1-CA 3.3Å; D414-F416 PolarHBondContact OD1-N 3.05Å; D414-L417 HydrophobicContact CB-CB 4.14Å; D414-L417 WeakPolarHBondContact O-CB 3.46Å; D414-L417 PolarHBondContact O-N 3.46Å; D414-L417 PolarHBondContact OD1-N 3.14Å | ||
| 415 | P | 91.7 | Very high | 81.5 | Confident | 75 Ų | 75 | 40.4 Ų | 40.4 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -14.7 | -179.9 | 27.3 | -33.6 | 0 | 0 | 0 | 112.9 | Q583 | P415-Q583 VanDerWaalsContact O-CG 3.31Å; P415-Q583 WeakPolarHBondContact O-CG 3.44Å; P415-Q583 PolarHBondContact O-OE1 3.43Å |
| 416 | F | 95.7 | Very high | 84.4 | Confident | 93 Ų | 93 | 39.5 Ų | 39.5 | 41% | 0.408 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 10.7 | 179.8 | -55.9 | -79.5 | 0 | 0 | 0 | 112.5 | R347 D414 P418 E419 L420 | R347-F416 PolarHBondContact NE-O 2.97Å; R347-F416 PolarHBondContact NH2-O 2.56Å; D414-F416 PolarHBondContact O-N 2.85Å; D414-F416 WeakPolarHBondContact OD1-CA 3.3Å; D414-F416 PolarHBondContact OD1-N 3.05Å; F416-P418 VanDerWaalsContact C-CD 3.44Å; F416-E419 PolarHBondContact O-N 2.61Å; F416-L420 PolarHBondContact O-N 3.27Å |
| 417 | L | 97.3 | Very high | 87 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.8 | -40.8 | 171.2 | -177.3 | 67.2 | 0 | 0 | 0 | 112.8 | V382 L385 D414 E419 L420 L421 L573 | V382-L417 HydrophobicContact CG2-CD1 4.02Å; L385-L417 HydrophobicContact CD2-CD1 4.14Å; L385-L417 HydrophobicContact CD2-CD2 3.93Å; L385-L417 HydrophobicContact CD2-CG 4.49Å; D414-L417 HydrophobicContact CB-CB 4.14Å; D414-L417 WeakPolarHBondContact O-CB 3.46Å; D414-L417 PolarHBondContact O-N 3.46Å; D414-L417 PolarHBondContact OD1-N 3.14Å; L417-E419 VanDerWaalsContact C-N 3.29Å; L417-E419 PolarHBondContact O-N 3.22Å; L417-L420 HydrophobicContact CD1-CD2 4.4Å; L417-L420 WeakPolarHBondContact O-CB 3.35Å; L417-L420 PolarHBondContact O-N 3.31Å; L417-L421 HydrophobicContact CD1-CG 4.44Å; L417-L421 HydrophobicContact CD2-CD1 4.48Å; L417-L421 HydrophobicContact CG-CD1 4.06Å; L417-L421 HydrophobicContact CG-CG 4.29Å; L417-L421 WeakPolarHBondContact O-CG 3.22Å; L417-L421 PolarHBondContact O-N 3.26Å; L417-L573 HydrophobicContact CD2-CD1 3.88Å; L417-L573 HydrophobicContact CD2-CD2 4.01Å |
| 418 | P | 98.3 | Very high | 89.4 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.032 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.8 | -39.5 | 178.2 | -26.3 | 36.4 | 0 | 0 | 0 | 113.2 | F416 L421 F422 C577 F586 F590 | F416-P418 VanDerWaalsContact C-CD 3.44Å; P418-L421 PolarHBondContact O-N 2.96Å; P418-F422 VanDerWaalsContact O-CB 3.27Å; P418-F422 WeakPolarHBondContact O-CB 3.16Å; P418-F422 PolarHBondContact O-N 3.41Å; P418-C577 HydrophobicContact CB-CB 4.48Å; P418-C577 HydrophobicContact CG-CB 3.9Å; P418-F586 HydrophobicContact CB-CB 3.94Å; P418-F590 HydrophobicContact CB-CE2 4.25Å; P418-F590 HydrophobicContact CG-CE2 4.28Å; P418-F590 HydrophobicContact CG-CZ 4.17Å |
| 419 | E | 98.3 | Very high | 91.6 | Very high | 26 Ų | 26 | 34.7 Ų | 34.7 | 12% | 0.121 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 174.2 | -178.8 | 172.2 | -172.5 | 0 | 0 | 111.9 | R347 F416 L417 F422 R423 F586 | R347-E419 HydrophobicContact CG-CB 4.35Å; R347-E419 HydrophobicContact CG-CG 3.89Å; F416-E419 PolarHBondContact O-N 2.61Å; L417-E419 VanDerWaalsContact C-N 3.29Å; L417-E419 PolarHBondContact O-N 3.22Å; E419-F422 PolarHBondContact O-N 3.37Å; E419-R423 WeakPolarHBondContact O-CG 3.39Å; E419-R423 PolarHBondContact O-N 3.04Å; E419-R423 IonicContact OE1-NH2 2.74Å; E419-F586 HydrophobicContact CB-CD2 3.78Å; E419-F586 HydrophobicContact CB-CE1 4.32Å; E419-F586 HydrophobicContact CB-CE2 3.57Å; E419-F586 HydrophobicContact CB-CG 4.28Å; E419-F586 HydrophobicContact CB-CZ 3.84Å; E419-F586 HydrophobicContact CG-CD2 4.44Å; E419-F586 HydrophobicContact CG-CE1 4Å; E419-F586 HydrophobicContact CG-CE2 3.82Å; E419-F586 HydrophobicContact CG-CZ 3.55Å |
| 420 | L | 98.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61 | -49.4 | 177.6 | 176.5 | 62.1 | 0 | 0 | 0 | 110.7 | R343 L346 R347 L350 A378 V382 F416 L417 F422 R423 M424 | R343-L420 HydrophobicContact CB-CD2 4.3Å; R343-L420 HydrophobicContact CG-CD2 4.2Å; L346-L420 HydrophobicContact CB-CD1 4.32Å; R347-L420 HydrophobicContact CB-CB 4.44Å; R347-L420 HydrophobicContact CB-CD1 4.23Å; R347-L420 HydrophobicContact CG-CB 4.41Å; L350-L420 HydrophobicContact CD1-CD1 4.12Å; A378-L420 HydrophobicContact CB-CD1 4.14Å; V382-L420 HydrophobicContact CG2-CD2 4.1Å; F416-L420 PolarHBondContact O-N 3.27Å; L417-L420 HydrophobicContact CD1-CD2 4.4Å; L417-L420 WeakPolarHBondContact O-CB 3.35Å; L417-L420 PolarHBondContact O-N 3.31Å; L420-F422 VanDerWaalsContact C-N 3.26Å; L420-F422 PolarHBondContact O-N 2.9Å; L420-R423 PolarHBondContact O-N 2.78Å; L420-M424 HydrophobicContact CG-SD 4.4Å; L420-M424 WeakPolarHBondContact O-CG 3.3Å; L420-M424 PolarHBondContact O-N 3.43Å |
| 421 | L | 98.7 | Very high | 95.1 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.6 | -41.6 | 176.5 | -68.1 | 169.9 | 0 | 0 | 0 | 111.3 | V382 L417 P418 M424 D425 M560 F563 V589 I593 | V382-L421 HydrophobicContact CG1-CD2 3.95Å; V382-L421 HydrophobicContact CG2-CD2 4.02Å; L417-L421 HydrophobicContact CD1-CG 4.44Å; L417-L421 HydrophobicContact CD2-CD1 4.48Å; L417-L421 HydrophobicContact CG-CD1 4.06Å; L417-L421 HydrophobicContact CG-CG 4.29Å; L417-L421 WeakPolarHBondContact O-CG 3.22Å; L417-L421 PolarHBondContact O-N 3.26Å; P418-L421 PolarHBondContact O-N 2.96Å; L421-M424 WeakPolarHBondContact O-CB 3.32Å; L421-M424 PolarHBondContact O-N 2.87Å; L421-D425 PolarHBondContact O-N 3.41Å; L421-M560 HydrophobicContact CD2-CE 4.36Å; L421-M560 HydrophobicContact CD2-CG 4.35Å; L421-M560 HydrophobicContact CD2-SD 3.99Å; L421-F563 HydrophobicContact CD1-CZ 4.21Å; L421-F563 HydrophobicContact CD2-CE2 4.17Å; L421-F563 HydrophobicContact CD2-CZ 4.41Å; L421-V589 HydrophobicContact CB-CB 4.47Å; L421-V589 HydrophobicContact CB-CG1 4.11Å; L421-V589 HydrophobicContact CB-CG2 3.66Å; L421-V589 HydrophobicContact CD1-CG1 4.43Å; L421-I593 HydrophobicContact CD1-CD1 4.13Å; L421-I593 HydrophobicContact CD2-CD1 4.36Å |
| 422 | F | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 178.4 | -176.4 | -93 | 0 | 0 | 0 | 112.2 | P418 E419 L420 M424 D425 E426 F586 I588 Y748 H752 | P418-F422 VanDerWaalsContact O-CB 3.27Å; P418-F422 WeakPolarHBondContact O-CB 3.16Å; P418-F422 PolarHBondContact O-N 3.41Å; E419-F422 PolarHBondContact O-N 3.37Å; L420-F422 VanDerWaalsContact C-N 3.26Å; L420-F422 PolarHBondContact O-N 2.9Å; F422-M424 VanDerWaalsContact C-N 3.3Å; F422-M424 PolarHBondContact O-N 3Å; F422-D425 PolarHBondContact O-N 2.98Å; F422-E426 HydrophobicContact CD1-CG 4.14Å; F422-E426 HydrophobicContact CE1-CG 3.82Å; F422-E426 VanDerWaalsContact CE1-OE1 3.23Å; F422-E426 WeakPolarHBondContact CE1-OE1 3.47Å; F422-E426 WeakPolarHBondContact CE1-OE2 3.26Å; F422-E426 HydrophobicContact CZ-CG 4.25Å; F422-E426 PolarHBondContact O-N 3.25Å; F422-F586 HydrophobicContact CB-CB 4.18Å; F422-F586 HydrophobicContact CB-CD1 3.66Å; F422-F586 HydrophobicContact CB-CE1 4.44Å; F422-F586 HydrophobicContact CB-CG 4.23Å; F422-F586 AromaticContact CD1-CD1 3.55Å; F422-F586 HydrophobicContact CD1-CD1 3.55Å; F422-F586 AromaticContact CD1-CE1 3.76Å; F422-F586 HydrophobicContact CD1-CE1 3.76Å; F422-F586 HydrophobicContact CD2-CB 4.5Å; F422-F586 AromaticContact CD2-CD1 3.95Å; F422-F586 HydrophobicContact CD2-CD1 3.95Å; F422-F586 HydrophobicContact CE1-CD1 4.1Å; F422-F586 HydrophobicContact CE1-CE1 4.16Å; F422-F586 HydrophobicContact CE2-CD1 4.46Å; F422-F586 HydrophobicContact CG-CB 4.46Å; F422-F586 AromaticContact CG-CD1 3.45Å; F422-F586 HydrophobicContact CG-CD1 3.45Å; F422-F586 VanDerWaalsContact CG-CD1 3.45Å; F422-F586 HydrophobicContact CG-CE1 4.14Å; F422-F586 HydrophobicContact CG-CG 4.37Å; F422-I588 HydrophobicContact CD2-CG2 4.09Å; F422-I588 HydrophobicContact CE2-CG2 3.81Å; F422-Y748 HydrophobicContact CZ-CE1 4.02Å; F422-H752 AromaticContact CE2-CD2 3.64Å; F422-H752 AromaticContact CE2-CE1 3.6Å; F422-H752 AromaticContact CE2-CG 3.72Å; F422-H752 AromaticContact CE2-ND1 3.7Å; F422-H752 AromaticContact CE2-NE2 3.56Å; F422-H752 AromaticContact CZ-CE1 3.31Å; F422-H752 WeakPolarHBondContact CZ-CE1 3.4Å; F422-H752 AromaticContact CZ-CG 3.96Å; F422-H752 AromaticContact CZ-ND1 3.44Å; F422-H752 WeakPolarHBondContact CZ-ND1 3.27Å; F422-H752 AromaticContact CZ-NE2 3.77Å |
| 423 | R | 98.6 | Very high | 96.4 | Very high | 25 Ų | 25 | 33.9 Ų | 33.9 | 9% | 0.094 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.6 | -33.5 | 175.1 | -61.7 | -47.7 | 173.7 | -172.3 | -5 | 112.7 | L350 R351 E419 L420 E426 L427 | L350-R423 HydrophobicContact CB-CB 4.03Å; R351-R423 HydrophobicContact CB-CG 4.14Å; E419-R423 WeakPolarHBondContact O-CG 3.39Å; E419-R423 PolarHBondContact O-N 3.04Å; E419-R423 IonicContact OE1-NH2 2.74Å; L420-R423 PolarHBondContact O-N 2.78Å; R423-E426 WeakPolarHBondContact CD-OE2 3.39Å; R423-E426 IonicContact CZ-OE2 3.88Å; R423-E426 IonicContact NE-OE2 3.19Å; R423-E426 IonicContact NH1-OE1 2.75Å; R423-E426 PolarHBondContact NH1-OE1 3.02Å; R423-E426 IonicContact NH1-OE2 2.76Å; R423-E426 PolarHBondContact NH1-OE2 3.24Å; R423-L427 WeakPolarHBondContact O-CB 3.04Å; R423-L427 WeakPolarHBondContact O-CG 3.17Å; R423-L427 PolarHBondContact O-N 3.45Å |
| 424 | M | 98.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.02 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 172.7 | -63.1 | 174.7 | 73.8 | 0 | 0 | 111.1 | L350 L375 A378 S379 V382 L420 L421 F422 L427 R428 M560 | L350-M424 HydrophobicContact CD1-CG 3.86Å; L375-M424 HydrophobicContact CD2-CB 3.8Å; L375-M424 HydrophobicContact CD2-CE 4.31Å; L375-M424 HydrophobicContact CD2-CG 3.96Å; A378-M424 HydrophobicContact CB-CE 3.81Å; A378-M424 HydrophobicContact CB-CG 4.04Å; A378-M424 HydrophobicContact CB-SD 3.62Å; S379-M424 WeakPolarHBondContact OG-CE 3.41Å; V382-M424 HydrophobicContact CG2-SD 4.18Å; L420-M424 HydrophobicContact CG-SD 4.4Å; L420-M424 WeakPolarHBondContact O-CG 3.3Å; L420-M424 PolarHBondContact O-N 3.43Å; L421-M424 WeakPolarHBondContact O-CB 3.32Å; L421-M424 PolarHBondContact O-N 2.87Å; F422-M424 VanDerWaalsContact C-N 3.3Å; F422-M424 PolarHBondContact O-N 3Å; M424-L427 PolarHBondContact O-N 2.78Å; M424-R428 VanDerWaalsContact O-CG 3.25Å; M424-R428 WeakPolarHBondContact O-CG 3.43Å; M424-R428 PolarHBondContact O-N 2.78Å; M424-M560 HydrophobicContact CE-CE 3.16Å; M424-M560 HydrophobicContact SD-CE 3.75Å |
| 425 | D | 97.6 | Very high | 96.8 | Very high | 12 Ų | 12 | 34.1 Ų | 34.1 | 6% | 0.064 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 177.4 | -161.9 | 40.7 | 0 | 0 | 0 | 112.3 | L421 F422 R428 S429 V589 S592 H753 | L421-D425 PolarHBondContact O-N 3.41Å; F422-D425 PolarHBondContact O-N 2.98Å; D425-R428 PolarHBondContact O-N 3.1Å; D425-S429 WeakPolarHBondContact O-CB 3.37Å; D425-S429 PolarHBondContact O-N 3.02Å; D425-S429 PolarHBondContact O-OG 2.99Å; D425-V589 HydrophobicContact CB-CG2 4.43Å; D425-S592 PolarHBondContact OD1-OG 2.99Å; D425-S592 WeakPolarHBondContact OD2-CB 3.5Å; D425-S592 PolarHBondContact OD2-OG 3.1Å; D425-H753 IonicContact OD2-CE1 2.62Å; D425-H753 IonicContact OD2-NE2 2.82Å; D425-H753 PolarHBondContact OD2-NE2 3.43Å |
| 426 | E | 97.7 | Very high | 96.7 | Very high | 16 Ų | 16 | 32.3 Ų | 32.3 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 175.4 | -81.7 | -175.1 | 137.9 | 0 | 0 | 112.2 | H354 F422 R423 S429 L430 | H354-E426 VanDerWaalsContact CE1-CD 3.41Å; H354-E426 IonicContact CE1-OE1 3.8Å; H354-E426 PolarHBondContact CE1-OE1 2.94Å; H354-E426 IonicContact CE1-OE2 2.74Å; H354-E426 IonicContact CG-OE2 2.85Å; H354-E426 IonicContact ND1-OE1 3.79Å; H354-E426 IonicContact ND1-OE2 2.88Å; H354-E426 PolarHBondContact ND1-OE2 3.05Å; F422-E426 HydrophobicContact CD1-CG 4.14Å; F422-E426 HydrophobicContact CE1-CG 3.82Å; F422-E426 VanDerWaalsContact CE1-OE1 3.23Å; F422-E426 WeakPolarHBondContact CE1-OE1 3.47Å; F422-E426 WeakPolarHBondContact CE1-OE2 3.26Å; F422-E426 HydrophobicContact CZ-CG 4.25Å; F422-E426 PolarHBondContact O-N 3.25Å; R423-E426 WeakPolarHBondContact CD-OE2 3.39Å; R423-E426 IonicContact CZ-OE2 3.88Å; R423-E426 IonicContact NE-OE2 3.19Å; R423-E426 IonicContact NH1-OE1 2.75Å; R423-E426 PolarHBondContact NH1-OE1 3.02Å; R423-E426 IonicContact NH1-OE2 2.76Å; R423-E426 PolarHBondContact NH1-OE2 3.24Å; E426-S429 PolarHBondContact O-N 2.96Å; E426-L430 VanDerWaalsContact O-CB 3.3Å; E426-L430 WeakPolarHBondContact O-CB 3.36Å; E426-L430 PolarHBondContact O-N 3.23Å |
| 427 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.7 | -39.6 | 178.3 | -76.4 | 171.5 | 0 | 0 | 0 | 112.4 | L350 L353 H354 V371 L375 R423 M424 L430 V431 | L350-L427 HydrophobicContact CB-CD1 3.93Å; L350-L427 HydrophobicContact CD1-CD1 4.32Å; L350-L427 HydrophobicContact CD2-CD1 3.72Å; L350-L427 HydrophobicContact CG-CD1 4.19Å; L353-L427 HydrophobicContact CD2-CD1 4.38Å; L353-L427 HydrophobicContact CD2-CD2 4.5Å; L353-L427 HydrophobicContact CG-CD2 4.27Å; H354-L427 HydrophobicContact CB-CD2 3.86Å; H354-L427 HydrophobicContact CB-CG 4.16Å; V371-L427 HydrophobicContact CG1-CB 4Å; V371-L427 HydrophobicContact CG1-CD1 4.45Å; V371-L427 HydrophobicContact CG1-CD2 4.16Å; V371-L427 HydrophobicContact CG1-CG 4.44Å; L375-L427 HydrophobicContact CD2-CB 4.27Å; L375-L427 HydrophobicContact CD2-CD1 4.45Å; R423-L427 WeakPolarHBondContact O-CB 3.04Å; R423-L427 WeakPolarHBondContact O-CG 3.17Å; R423-L427 PolarHBondContact O-N 3.45Å; M424-L427 PolarHBondContact O-N 2.78Å; L427-L430 PolarHBondContact O-N 3.38Å; L427-V431 WeakPolarHBondContact O-CG2 3.29Å; L427-V431 PolarHBondContact O-N 2.75Å |
| 428 | R | 97.3 | Very high | 96.4 | Very high | 35 Ų | 35 | 30.1 Ų | 30.1 | 13% | 0.132 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.7 | -50 | 172.1 | -72.6 | 169.7 | 59.6 | 75.5 | 3.6 | 110.5 | L375 M424 D425 L430 V431 M432 L554 S558 | L375-R428 HydrophobicContact CD1-CG 4.26Å; M424-R428 VanDerWaalsContact O-CG 3.25Å; M424-R428 WeakPolarHBondContact O-CG 3.43Å; M424-R428 PolarHBondContact O-N 2.78Å; D425-R428 PolarHBondContact O-N 3.1Å; R428-L430 VanDerWaalsContact C-N 3.27Å; R428-L430 PolarHBondContact O-N 3.43Å; R428-V431 PolarHBondContact O-N 2.69Å; R428-M432 WeakPolarHBondContact O-CG 3.47Å; R428-M432 PolarHBondContact O-N 2.74Å; R428-L554 HydrophobicContact CG-CD2 4.3Å; R428-L554 PolarHBondContact NH1-O 2.99Å; R428-S558 WeakPolarHBondContact CD-OG 3.32Å; R428-S558 WeakPolarHBondContact CG-OG 3.47Å; R428-S558 PolarHBondContact NH1-OG 2.95Å |
| 429 | S | 95.8 | Very high | 96.1 | Very high | 52 Ų | 52 | 30.9 Ų | 30.9 | 36% | 0.364 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.7 | -37.6 | 178.9 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | D425 E426 R433 | D425-S429 WeakPolarHBondContact O-CB 3.37Å; D425-S429 PolarHBondContact O-N 3.02Å; D425-S429 PolarHBondContact O-OG 2.99Å; E426-S429 PolarHBondContact O-N 2.96Å; S429-R433 WeakPolarHBondContact O-CB 3.23Å; S429-R433 PolarHBondContact O-N 2.89Å |
| 430 | L | 97.6 | Very high | 95.6 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.7 | -45.7 | 177.8 | -170.9 | 70.1 | 0 | 0 | 0 | 111.8 | L357 L364 E426 L427 R428 M432 R433 Y434 | L357-L430 HydrophobicContact CB-CD2 3.6Å; L364-L430 HydrophobicContact CD1-CD2 4.49Å; L364-L430 HydrophobicContact CD1-CG 4.11Å; L364-L430 HydrophobicContact CD2-CD2 4.49Å; E426-L430 VanDerWaalsContact O-CB 3.3Å; E426-L430 WeakPolarHBondContact O-CB 3.36Å; E426-L430 PolarHBondContact O-N 3.23Å; L427-L430 PolarHBondContact O-N 3.38Å; R428-L430 VanDerWaalsContact C-N 3.27Å; R428-L430 PolarHBondContact O-N 3.43Å; L430-M432 VanDerWaalsContact C-N 3.34Å; L430-M432 PolarHBondContact O-N 2.97Å; L430-R433 PolarHBondContact O-N 3.43Å; L430-Y434 HydrophobicContact CD1-CD2 3.69Å; L430-Y434 HydrophobicContact CD1-CE2 3.64Å; L430-Y434 HydrophobicContact CG-CD2 4.31Å; L430-Y434 WeakPolarHBondContact O-CD2 3.49Å; L430-Y434 PolarHBondContact O-N 2.83Å; L430-Y434 VanDerWaalsContact O-N 3.08Å |
| 431 | V | 97.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 174.9 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | L364 V371 F372 L427 R428 Y434 S435 I438 L550 L554 | L364-V431 HydrophobicContact CD2-CG2 4.46Å; V371-V431 HydrophobicContact CB-CG2 4.44Å; V371-V431 HydrophobicContact CG1-CG2 3.82Å; F372-V431 HydrophobicContact CZ-CG1 4.1Å; L427-V431 WeakPolarHBondContact O-CG2 3.29Å; L427-V431 PolarHBondContact O-N 2.75Å; R428-V431 PolarHBondContact O-N 2.69Å; V431-Y434 CarbonylContact O-C 3.13Å; V431-Y434 PolarHBondContact O-N 2.8Å; V431-S435 WeakPolarHBondContact O-CA 3.15Å; V431-S435 PolarHBondContact O-N 2.98Å; V431-I438 HydrophobicContact CB-CD1 4.39Å; V431-I438 HydrophobicContact CG1-CD1 3.81Å; V431-I438 HydrophobicContact CG2-CD1 4.43Å; V431-L550 HydrophobicContact CG1-CD1 4.1Å; V431-L550 HydrophobicContact CG1-CD2 3.84Å; V431-L550 HydrophobicContact CG1-CG 3.99Å; V431-L554 HydrophobicContact CB-CD1 4.13Å; V431-L554 HydrophobicContact CB-CD2 4.28Å; V431-L554 HydrophobicContact CG1-CD1 3.75Å; V431-L554 HydrophobicContact CG1-CD2 4.13Å; V431-L554 HydrophobicContact CG1-CG 4.11Å; V431-L554 HydrophobicContact CG2-CD2 4.45Å |
| 432 | M | 94.4 | Very high | 95.2 | Very high | 81 Ų | 81 | 35.9 Ų | 35.9 | 40% | 0.399 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.8 | -42.1 | 178.8 | -71 | -53.2 | -62.3 | 0 | 0 | 112.7 | R428 L430 Y434 S435 D551 L554 | R428-M432 WeakPolarHBondContact O-CG 3.47Å; R428-M432 PolarHBondContact O-N 2.74Å; L430-M432 VanDerWaalsContact C-N 3.34Å; L430-M432 PolarHBondContact O-N 2.97Å; M432-Y434 VanDerWaalsContact C-N 3.28Å; M432-Y434 PolarHBondContact O-N 3.45Å; M432-S435 PolarHBondContact O-N 3.49Å; M432-S435 PolarHBondContact O-OG 3.27Å; M432-D551 WeakPolarHBondContact CE-OD1 3.21Å; M432-L554 HydrophobicContact CG-CD1 3.78Å; M432-L554 HydrophobicContact SD-CD1 3.64Å |
| 433 | R | 93.8 | Very high | 94.9 | Very high | 187 Ų | 187 | 35.9 Ų | 35.9 | 71% | 0.706 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -63.3 | -35 | 179.3 | -179.4 | 174.5 | -179.4 | 175.4 | -1 | 112.5 | S429 L430 | S429-R433 WeakPolarHBondContact O-CB 3.23Å; S429-R433 PolarHBondContact O-N 2.89Å; L430-R433 PolarHBondContact O-N 3.43Å |
| 434 | Y | 93.9 | Very high | 94.6 | Very high | 58 Ų | 58 | 38.1 Ų | 38.1 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 26.1 | -178.9 | -64.8 | -76.8 | 0 | 0 | 0 | 112.5 | P361 L364 L430 V431 M432 P436 V437 I438 | P361-Y434 HydrophobicContact CB-CD1 3.67Å; P361-Y434 HydrophobicContact CB-CD2 3.83Å; P361-Y434 HydrophobicContact CB-CE1 3.62Å; P361-Y434 HydrophobicContact CB-CE2 3.8Å; P361-Y434 HydrophobicContact CB-CG 3.77Å; P361-Y434 HydrophobicContact CG-CD1 4.24Å; P361-Y434 HydrophobicContact CG-CE1 3.74Å; P361-Y434 HydrophobicContact CG-CE2 4.4Å; L364-Y434 HydrophobicContact CD1-CD2 4.04Å; L364-Y434 HydrophobicContact CD1-CG 4.08Å; L430-Y434 HydrophobicContact CD1-CD2 3.69Å; L430-Y434 HydrophobicContact CD1-CE2 3.64Å; L430-Y434 HydrophobicContact CG-CD2 4.31Å; L430-Y434 WeakPolarHBondContact O-CD2 3.49Å; L430-Y434 PolarHBondContact O-N 2.83Å; L430-Y434 VanDerWaalsContact O-N 3.08Å; V431-Y434 CarbonylContact O-C 3.13Å; V431-Y434 PolarHBondContact O-N 2.8Å; M432-Y434 VanDerWaalsContact C-N 3.28Å; M432-Y434 PolarHBondContact O-N 3.45Å; Y434-P436 VanDerWaalsContact C-N 3.27Å; Y434-V437 HydrophobicContact CD1-CG2 4.15Å; Y434-V437 WeakPolarHBondContact O-CB 3.44Å; Y434-V437 PolarHBondContact O-N 2.92Å; Y434-I438 PolarHBondContact O-N 3.36Å |
| 435 | S | 93.3 | Very high | 94.4 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.9 | -36.8 | 176.3 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | V431 M432 V437 I438 Q439 L550 | V431-S435 WeakPolarHBondContact O-CA 3.15Å; V431-S435 PolarHBondContact O-N 2.98Å; M432-S435 PolarHBondContact O-N 3.49Å; M432-S435 PolarHBondContact O-OG 3.27Å; S435-V437 PolarHBondContact O-N 3.18Å; S435-I438 PolarHBondContact O-N 3.23Å; S435-Q439 WeakPolarHBondContact O-CB 3.28Å; S435-Q439 WeakPolarHBondContact O-CG 3.49Å; S435-Q439 PolarHBondContact O-N 2.86Å; S435-Q439 PolarHBondContact O-OE1 3.41Å; S435-L550 VanDerWaalsContact CB-CD2 3.46Å |
| 436 | P | 90.3 | Very high | 94.3 | Very high | 38 Ų | 38 | 38.5 Ų | 38.5 | 25% | 0.247 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.7 | -28.8 | 176.8 | -22.6 | 36.3 | 0 | 0 | 0 | 113.5 | Y434 R440 | Y434-P436 VanDerWaalsContact C-N 3.27Å; P436-R440 WeakPolarHBondContact O-CB 3.47Å; P436-R440 PolarHBondContact O-N 3.2Å |
| 437 | V | 92 | Very high | 94.1 | Very high | 51 Ų | 51 | 37.8 Ų | 37.8 | 31% | 0.309 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.5 | -46.4 | 177 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | Y434 S435 F441 | Y434-V437 HydrophobicContact CD1-CG2 4.15Å; Y434-V437 WeakPolarHBondContact O-CB 3.44Å; Y434-V437 PolarHBondContact O-N 2.92Å; S435-V437 PolarHBondContact O-N 3.18Å; V437-F441 WeakPolarHBondContact O-CB 3.43Å; V437-F441 PolarHBondContact O-N 3.2Å; V437-F441 VanDerWaalsContact O-N 3.16Å |
| 438 | I | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -52 | 177.5 | -63.9 | 166.1 | 0 | 0 | 0 | 109.5 | L364 A368 V431 Y434 S435 R440 F441 Y442 L546 L550 | L364-I438 HydrophobicContact CB-CD1 4.23Å; L364-I438 HydrophobicContact CB-CG1 3.86Å; A368-I438 HydrophobicContact CB-CD1 4.41Å; A368-I438 HydrophobicContact CB-CG1 4.37Å; A368-I438 HydrophobicContact CB-CG2 4.18Å; V431-I438 HydrophobicContact CB-CD1 4.39Å; V431-I438 HydrophobicContact CG1-CD1 3.81Å; V431-I438 HydrophobicContact CG2-CD1 4.43Å; Y434-I438 PolarHBondContact O-N 3.36Å; S435-I438 PolarHBondContact O-N 3.23Å; I438-R440 VanDerWaalsContact C-N 3.34Å; I438-R440 PolarHBondContact O-N 2.64Å; I438-F441 PolarHBondContact O-N 3.39Å; I438-Y442 HydrophobicContact CG2-CD2 3.75Å; I438-Y442 HydrophobicContact CG2-CE2 3.94Å; I438-Y442 VanDerWaalsContact O-CD2 3.31Å; I438-Y442 WeakPolarHBondContact O-CD2 3.48Å; I438-Y442 PolarHBondContact O-N 3.35Å; I438-L546 HydrophobicContact CG2-CB 4.31Å; I438-L550 HydrophobicContact CD1-CD2 4.47Å; I438-L550 HydrophobicContact CG2-CD1 4.18Å |
| 439 | Q | 92.5 | Very high | 93.7 | Very high | 22 Ų | 22 | 46 Ų | 46 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.1 | -44.7 | -178.3 | -69.7 | 172.9 | -38.6 | 0 | 0 | 112.1 | S435 F441 Y442 L443 S499 V547 | S435-Q439 WeakPolarHBondContact O-CB 3.28Å; S435-Q439 WeakPolarHBondContact O-CG 3.49Å; S435-Q439 PolarHBondContact O-N 2.86Å; S435-Q439 PolarHBondContact O-OE1 3.41Å; Q439-F441 PolarHBondContact O-N 3.42Å; Q439-Y442 PolarHBondContact O-N 3.07Å; Q439-L443 WeakPolarHBondContact O-CB 3.4Å; Q439-L443 WeakPolarHBondContact O-CG 3.42Å; Q439-L443 PolarHBondContact O-N 3Å; Q439-S499 PolarHBondContact OE1-OG 3.35Å; Q439-V547 WeakPolarHBondContact CG-O 3.46Å; Q439-V547 PolarHBondContact NE2-O 3.11Å |
| 440 | R | 88.9 | Confident | 93.7 | Very high | 81 Ų | 81 | 43.5 Ų | 43.5 | 31% | 0.306 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.1 | -49.6 | 176.4 | -176.3 | 178.3 | 173.4 | -162.7 | -6.5 | 111.9 | P436 I438 Y442 L443 Q444 T492 L494 | P436-R440 WeakPolarHBondContact O-CB 3.47Å; P436-R440 PolarHBondContact O-N 3.2Å; I438-R440 VanDerWaalsContact C-N 3.34Å; I438-R440 PolarHBondContact O-N 2.64Å; R440-Y442 VanDerWaalsContact C-N 3.34Å; R440-Y442 PolarHBondContact O-N 3.06Å; R440-L443 PolarHBondContact O-N 2.99Å; R440-Q444 WeakPolarHBondContact O-CG 3.45Å; R440-Q444 PolarHBondContact O-N 3.37Å; R440-Q444 VanDerWaalsContact O-N 3.13Å; R440-T492 VanDerWaalsContact CZ-O 3.29Å; R440-T492 PolarHBondContact NH1-O 3.2Å; R440-L494 HydrophobicContact CB-CD1 3.72Å; R440-L494 HydrophobicContact CG-CD1 4.12Å |
| 441 | F | 93 | Very high | 93.6 | Very high | 53 Ų | 53 | 43 Ų | 43 | 23% | 0.232 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.7 | -47.5 | -178.6 | 177.3 | -89.7 | 0 | 0 | 0 | 111.1 | T240 G365 P366 V437 I438 Q439 Q444 L445 | T240-F441 HydrophobicContact CG2-CE1 3.86Å; T240-F441 HydrophobicContact CG2-CZ 3.86Å; T240-F441 WeakPolarHBondContact OG1-CZ 3.33Å; G365-F441 WeakPolarHBondContact O-CD1 3.49Å; G365-F441 WeakPolarHBondContact O-CE1 3.14Å; P366-F441 HydrophobicContact CB-CE2 4.15Å; P366-F441 HydrophobicContact CB-CZ 3.85Å; P366-F441 HydrophobicContact CG-CE2 4.45Å; V437-F441 WeakPolarHBondContact O-CB 3.43Å; V437-F441 PolarHBondContact O-N 3.2Å; V437-F441 VanDerWaalsContact O-N 3.16Å; I438-F441 PolarHBondContact O-N 3.39Å; Q439-F441 PolarHBondContact O-N 3.42Å; F441-Q444 PolarHBondContact O-N 2.87Å; F441-L445 HydrophobicContact CE1-CD2 4.27Å; F441-L445 WeakPolarHBondContact O-CB 3.38Å; F441-L445 PolarHBondContact O-N 3.17Å |
| 442 | Y | 94.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73.6 | -29.6 | -179.4 | -76.3 | -77.6 | 0 | 0 | 0 | 113.4 | G365 A368 I438 Q439 R440 Q444 L445 L446 H543 L546 | G365-Y442 VanDerWaalsContact O-CE2 3.29Å; G365-Y442 WeakPolarHBondContact O-CE2 3.37Å; G365-Y442 PolarHBondContact O-OH 3.36Å; A368-Y442 HydrophobicContact CB-CE2 4.12Å; I438-Y442 HydrophobicContact CG2-CD2 3.75Å; I438-Y442 HydrophobicContact CG2-CE2 3.94Å; I438-Y442 VanDerWaalsContact O-CD2 3.31Å; I438-Y442 WeakPolarHBondContact O-CD2 3.48Å; I438-Y442 PolarHBondContact O-N 3.35Å; Q439-Y442 PolarHBondContact O-N 3.07Å; R440-Y442 VanDerWaalsContact C-N 3.34Å; R440-Y442 PolarHBondContact O-N 3.06Å; Y442-Q444 VanDerWaalsContact C-N 3.33Å; Y442-Q444 PolarHBondContact O-N 2.92Å; Y442-L445 HydrophobicContact CD1-CD2 3.84Å; Y442-L445 HydrophobicContact CE1-CD2 3.87Å; Y442-L445 PolarHBondContact O-N 3.39Å; Y442-L446 VanDerWaalsContact O-CB 3.25Å; Y442-L446 WeakPolarHBondContact O-CB 3.47Å; Y442-L446 WeakPolarHBondContact O-CD1 3.48Å; Y442-L446 WeakPolarHBondContact O-CG 3.41Å; Y442-L446 PolarHBondContact O-N 2.64Å; Y442-H543 HydrophobicContact CD1-CB 3.76Å; Y442-H543 AromaticContact CD1-CD2 3.79Å; Y442-H543 AromaticContact CD1-CG 3.78Å; Y442-H543 HydrophobicContact CE1-CB 4.38Å; Y442-H543 AromaticContact CE1-CD2 3.49Å; Y442-H543 VanDerWaalsContact CE1-CD2 3.49Å; Y442-H543 WeakPolarHBondContact CE1-CD2 3.35Å; Y442-H543 AromaticContact CE1-CG 3.97Å; Y442-L546 HydrophobicContact CD1-CB 4.29Å; Y442-L546 HydrophobicContact CD1-CD1 4.04Å; Y442-L546 HydrophobicContact CD2-CB 3.6Å; Y442-L546 HydrophobicContact CD2-CD1 4.03Å; Y442-L546 HydrophobicContact CD2-CG 4.39Å; Y442-L546 HydrophobicContact CE1-CD1 3.53Å; Y442-L546 HydrophobicContact CE2-CB 3.97Å; Y442-L546 HydrophobicContact CE2-CD1 3.55Å; Y442-L546 HydrophobicContact CE2-CG 4.28Å; Y442-L546 HydrophobicContact CG-CB 3.81Å; Y442-L546 HydrophobicContact CG-CD1 4.28Å |
| 443 | L | 92.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -41.4 | 170.3 | -80.3 | 169.3 | 0 | 0 | 0 | 112.2 | Q439 R440 G447 V489 L494 F502 F504 V547 | Q439-L443 WeakPolarHBondContact O-CB 3.4Å; Q439-L443 WeakPolarHBondContact O-CG 3.42Å; Q439-L443 PolarHBondContact O-N 3Å; R440-L443 PolarHBondContact O-N 2.99Å; L443-G447 PolarHBondContact O-N 2.65Å; L443-G447 VanDerWaalsContact O-N 3.09Å; L443-V489 HydrophobicContact CB-CG1 4.19Å; L443-V489 HydrophobicContact CB-CG2 4.24Å; L443-L494 HydrophobicContact CD1-CD1 4.05Å; L443-F502 HydrophobicContact CD1-CD2 3.82Å; L443-F502 HydrophobicContact CD1-CE2 3.8Å; L443-F502 HydrophobicContact CD1-CG 4.45Å; L443-F502 HydrophobicContact CD1-CZ 4.4Å; L443-F502 HydrophobicContact CD2-CB 4.39Å; L443-F502 HydrophobicContact CD2-CD1 3.92Å; L443-F502 HydrophobicContact CD2-CD2 4.08Å; L443-F502 HydrophobicContact CD2-CE1 4.17Å; L443-F502 HydrophobicContact CD2-CE2 4.33Å; L443-F502 HydrophobicContact CD2-CG 3.86Å; L443-F502 HydrophobicContact CD2-CZ 4.38Å; L443-F504 HydrophobicContact CD2-CE2 4.14Å; L443-F504 HydrophobicContact CD2-CZ 4.04Å; L443-V547 HydrophobicContact CD1-CG1 4.24Å; L443-V547 HydrophobicContact CD2-CG1 3.94Å; L443-V547 HydrophobicContact CD2-CG2 4.36Å; L443-V547 HydrophobicContact CG-CG1 3.86Å; L443-V547 HydrophobicContact CG-CG2 4.11Å |
| 444 | Q | 92 | Very high | 93.7 | Very high | 73 Ų | 73 | 33.7 Ų | 33.7 | 34% | 0.341 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -68.8 | -40.9 | 175.8 | -68.5 | -178.5 | -8.6 | 0 | 0 | 111.6 | R440 F441 Y442 G447 C448 V489 | R440-Q444 WeakPolarHBondContact O-CG 3.45Å; R440-Q444 PolarHBondContact O-N 3.37Å; R440-Q444 VanDerWaalsContact O-N 3.13Å; F441-Q444 PolarHBondContact O-N 2.87Å; Y442-Q444 VanDerWaalsContact C-N 3.33Å; Y442-Q444 PolarHBondContact O-N 2.92Å; Q444-G447 PolarHBondContact O-N 3.23Å; Q444-C448 VanDerWaalsContact O-CB 3.27Å; Q444-C448 WeakPolarHBondContact O-CB 3.32Å; Q444-C448 PolarHBondContact O-N 2.78Å; Q444-V489 HydrophobicContact CG-CG1 3.82Å; Q444-V489 PolarHBondContact NE2-O 2.78Å |
| 445 | L | 94.2 | Very high | 93.8 | Very high | 24 Ų | 24 | 34.1 Ų | 34.1 | 13% | 0.126 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 175.1 | -168.2 | 67.7 | 0 | 0 | 0 | 111.2 | T240 F441 Y442 G447 Y449 D450 | T240-L445 HydrophobicContact CG2-CD2 4.14Å; F441-L445 HydrophobicContact CE1-CD2 4.27Å; F441-L445 WeakPolarHBondContact O-CB 3.38Å; F441-L445 PolarHBondContact O-N 3.17Å; Y442-L445 HydrophobicContact CD1-CD2 3.84Å; Y442-L445 HydrophobicContact CE1-CD2 3.87Å; Y442-L445 PolarHBondContact O-N 3.39Å; L445-G447 PolarHBondContact O-N 2.79Å; L445-Y449 HydrophobicContact CD1-CD1 4.18Å; L445-Y449 HydrophobicContact CD1-CG 4.19Å; L445-Y449 WeakPolarHBondContact O-CA 3.34Å; L445-Y449 WeakPolarHBondContact O-CB 3.47Å; L445-Y449 PolarHBondContact O-N 3.38Å; L445-D450 PolarHBondContact O-N 3.22Å |
| 446 | L | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -60 | -46.1 | 178.8 | -76.6 | 167.8 | 0 | 0 | 0 | 111.9 | Y442 D450 G451 L480 L483 F504 T540 H543 T544 V547 | Y442-L446 VanDerWaalsContact O-CB 3.25Å; Y442-L446 WeakPolarHBondContact O-CB 3.47Å; Y442-L446 WeakPolarHBondContact O-CD1 3.48Å; Y442-L446 WeakPolarHBondContact O-CG 3.41Å; Y442-L446 PolarHBondContact O-N 2.64Å; L446-D450 HydrophobicContact CD2-CB 4.14Å; L446-G451 PolarHBondContact O-N 3.24Å; L446-L480 HydrophobicContact CB-CD2 4.37Å; L446-L480 HydrophobicContact CD2-CD2 4.06Å; L446-L483 HydrophobicContact CB-CD1 3.84Å; L446-F504 HydrophobicContact CD1-CE2 4.11Å; L446-F504 HydrophobicContact CD1-CZ 4.14Å; L446-T540 HydrophobicContact CD2-CG2 3.85Å; L446-H543 HydrophobicContact CD2-CB 3.74Å; L446-H543 HydrophobicContact CG-CB 4.13Å; L446-T544 HydrophobicContact CD1-CG2 4.33Å; L446-T544 HydrophobicContact CD2-CG2 3.99Å; L446-V547 HydrophobicContact CD1-CG2 3.84Å |
| 447 | G | 93.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -74.3 | -41.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | L443 Q444 L445 P452 L480 | L443-G447 PolarHBondContact O-N 2.65Å; L443-G447 VanDerWaalsContact O-N 3.09Å; Q444-G447 PolarHBondContact O-N 3.23Å; L445-G447 PolarHBondContact O-N 2.79Å; G447-P452 VanDerWaalsContact O-CD 3.31Å; G447-P452 WeakPolarHBondContact O-CD 3.34Å; G447-L480 WeakPolarHBondContact CA-O 3.32Å |
| 448 | C | 93.1 | Very high | 94.3 | Very high | 94 Ų | 94 | 37.6 Ų | 37.6 | 64% | 0.635 | 19% | 0.186 | S | C | * | . | I | π-helix | trans | -95.4 | -20 | -170.7 | -61.7 | 0 | 0 | 0 | 0 | 114.4 | Q444 | Q444-C448 VanDerWaalsContact O-CB 3.27Å; Q444-C448 WeakPolarHBondContact O-CB 3.32Å; Q444-C448 PolarHBondContact O-N 2.78Å |
| 449 | Y | 94.6 | Very high | 94.3 | Very high | 113 Ų | 113 | 42.1 Ų | 42.1 | 44% | 0.443 | 21% | 0.207 | S | C | . | . | I | π-helix | trans | -121.8 | -57.8 | -177.9 | 176.1 | -96.3 | 0 | 0 | 0 | 111.9 | L445 G453 | L445-Y449 HydrophobicContact CD1-CD1 4.18Å; L445-Y449 HydrophobicContact CD1-CG 4.19Å; L445-Y449 WeakPolarHBondContact O-CA 3.34Å; L445-Y449 WeakPolarHBondContact O-CB 3.47Å; L445-Y449 PolarHBondContact O-N 3.38Å; Y449-G453 PolarHBondContact O-N 3.32Å; Y449-G453 VanDerWaalsContact O-N 3.16Å |
| 450 | D | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -65.4 | -47.8 | -174.3 | -68.4 | -82.9 | 0 | 0 | 0 | 112.2 | L445 L446 G453 L454 H536 T540 H543 | L445-D450 PolarHBondContact O-N 3.22Å; L446-D450 HydrophobicContact CD2-CB 4.14Å; D450-G453 PolarHBondContact O-N 3.49Å; D450-L454 WeakPolarHBondContact O-CB 3.37Å; D450-L454 PolarHBondContact O-N 2.96Å; D450-H536 PolarHBondContact O-NE2 2.92Å; D450-T540 HydrophobicContact CB-CG2 3.79Å; D450-T540 WeakPolarHBondContact CB-OG1 3.48Å; D450-T540 VanDerWaalsContact OD1-CA 3.28Å; D450-T540 WeakPolarHBondContact OD1-CA 3.44Å; D450-T540 WeakPolarHBondContact OD1-CB 3.2Å; D450-T540 PolarHBondContact OD1-OG1 2.94Å; D450-H543 IonicContact OD1-CE1 3.37Å; D450-H543 IonicContact OD1-ND1 3.14Å; D450-H543 PolarHBondContact OD1-ND1 2.91Å; D450-H543 VanDerWaalsContact OD1-ND1 3.11Å; D450-H543 IonicContact OD2-CE1 3.1Å; D450-H543 IonicContact OD2-CG 3.49Å; D450-H543 IonicContact OD2-ND1 2.71Å; D450-H543 PolarHBondContact OD2-ND1 3.41Å |
| 451 | G | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.7 | -57.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L446 G453 L454 N455 | L446-G451 PolarHBondContact O-N 3.24Å; G451-G453 PolarHBondContact O-N 2.88Å; G451-L454 PolarHBondContact O-N 3.34Å; G451-N455 WeakPolarHBondContact O-CB 3.18Å; G451-N455 PolarHBondContact O-N 3.47Å |
| 452 | P | 96 | Very high | 94.7 | Very high | 63 Ų | 63 | 41 Ų | 41 | 41% | 0.409 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.2 | -44.4 | 177.7 | -27.6 | 36 | 0 | 0 | 0 | 113.5 | G447 N455 E456 | G447-P452 VanDerWaalsContact O-CD 3.31Å; G447-P452 WeakPolarHBondContact O-CD 3.34Å; P452-N455 PolarHBondContact O-N 3.28Å; P452-E456 PolarHBondContact O-N 2.89Å; P452-E456 VanDerWaalsContact O-N 3.07Å |
| 453 | G | 94.7 | Very high | 94.6 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -39.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y449 D450 G451 E456 Y457 | Y449-G453 PolarHBondContact O-N 3.32Å; Y449-G453 VanDerWaalsContact O-N 3.16Å; D450-G453 PolarHBondContact O-N 3.49Å; G451-G453 PolarHBondContact O-N 2.88Å; G453-E456 PolarHBondContact O-N 3.29Å; G453-Y457 VanDerWaalsContact O-CD2 3.27Å; G453-Y457 WeakPolarHBondContact O-CD2 3.28Å; G453-Y457 PolarHBondContact O-N 3.45Å; G453-Y457 VanDerWaalsContact O-N 3.08Å |
| 454 | L | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66 | -43.6 | 176.1 | -177.8 | 62.8 | 0 | 0 | 0 | 110.8 | D450 G451 E456 Y457 V458 I476 A477 L480 L533 H536 I537 | D450-L454 WeakPolarHBondContact O-CB 3.37Å; D450-L454 PolarHBondContact O-N 2.96Å; G451-L454 PolarHBondContact O-N 3.34Å; L454-E456 VanDerWaalsContact C-N 3.25Å; L454-E456 PolarHBondContact O-N 2.9Å; L454-Y457 PolarHBondContact O-N 3Å; L454-V458 HydrophobicContact CD1-CG2 3.85Å; L454-V458 HydrophobicContact CG-CG2 4.04Å; L454-V458 VanDerWaalsContact O-CB 3.27Å; L454-V458 WeakPolarHBondContact O-CB 3.45Å; L454-V458 WeakPolarHBondContact O-CG2 3.48Å; L454-V458 PolarHBondContact O-N 3.44Å; L454-I476 HydrophobicContact CD2-CB 4.49Å; L454-I476 HydrophobicContact CD2-CG2 3.62Å; L454-A477 HydrophobicContact CD2-CB 4.44Å; L454-A477 HydrophobicContact CG-CB 4.42Å; L454-L480 HydrophobicContact CD2-CD1 3.9Å; L454-L533 HydrophobicContact CD1-CD1 3.53Å; L454-H536 PolarHBondContact N-CD2 2.92Å; L454-H536 PolarHBondContact N-NE2 3.43Å; L454-I537 HydrophobicContact CD1-CB 4.05Å; L454-I537 HydrophobicContact CD1-CD1 4.03Å; L454-I537 HydrophobicContact CD1-CG1 4.2Å; L454-I537 HydrophobicContact CD2-CD1 4.37Å |
| 455 | N | 95.8 | Very high | 94.6 | Very high | 67 Ų | 67 | 47.9 Ų | 47.9 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.5 | -34.2 | 178.6 | -172.9 | 58 | 0 | 0 | 0 | 112.5 | G451 P452 Q459 A477 | G451-N455 WeakPolarHBondContact O-CB 3.18Å; G451-N455 PolarHBondContact O-N 3.47Å; P452-N455 PolarHBondContact O-N 3.28Å; N455-Q459 WeakPolarHBondContact O-CG 3.44Å; N455-Q459 PolarHBondContact O-NE2 2.72Å; N455-Q459 VanDerWaalsContact O-NE2 3.09Å; N455-A477 HydrophobicContact CB-CB 4.2Å |
| 456 | E | 96 | Very high | 94.4 | Very high | 127 Ų | 127 | 49.8 Ų | 49.8 | 59% | 0.593 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.8 | -56.7 | 172.3 | -176 | -175 | 153.5 | 0 | 0 | 111.3 | P452 G453 L454 V458 Q459 | P452-E456 PolarHBondContact O-N 2.89Å; P452-E456 VanDerWaalsContact O-N 3.07Å; G453-E456 PolarHBondContact O-N 3.29Å; L454-E456 VanDerWaalsContact C-N 3.25Å; L454-E456 PolarHBondContact O-N 2.9Å; E456-V458 VanDerWaalsContact C-N 3.28Å; E456-V458 PolarHBondContact O-N 3.37Å; E456-Q459 WeakPolarHBondContact O-CB 3.47Å; E456-Q459 PolarHBondContact O-N 3.49Å; E456-Q459 VanDerWaalsContact O-N 3.13Å |
| 457 | Y | 95.4 | Very high | 94 | Very high | 60 Ų | 60 | 56.5 Ų | 56.5 | 24% | 0.235 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.2 | -24.6 | -174.6 | -59 | -33 | 0 | 0 | 0 | 114 | G453 L454 Q459 H536 | G453-Y457 VanDerWaalsContact O-CD2 3.27Å; G453-Y457 WeakPolarHBondContact O-CD2 3.28Å; G453-Y457 PolarHBondContact O-N 3.45Å; G453-Y457 VanDerWaalsContact O-N 3.08Å; L454-Y457 PolarHBondContact O-N 3Å; Y457-Q459 VanDerWaalsContact C-N 3.28Å; Y457-Q459 PolarHBondContact O-N 3.21Å; Y457-H536 HydrophobicContact CD2-CB 3.72Å; Y457-H536 AromaticContact CD2-CG 3.85Å; Y457-H536 HydrophobicContact CE2-CB 3.86Å; Y457-H536 AromaticContact CE2-CG 3.82Å; Y457-H536 AromaticContact CE2-ND1 3.87Å |
| 458 | V | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.7 | -30.6 | 174.2 | 162.4 | 0 | 0 | 0 | 0 | 111.5 | L454 E456 D460 I461 L462 F473 L533 | L454-V458 HydrophobicContact CD1-CG2 3.85Å; L454-V458 HydrophobicContact CG-CG2 4.04Å; L454-V458 VanDerWaalsContact O-CB 3.27Å; L454-V458 WeakPolarHBondContact O-CB 3.45Å; L454-V458 WeakPolarHBondContact O-CG2 3.48Å; L454-V458 PolarHBondContact O-N 3.44Å; E456-V458 VanDerWaalsContact C-N 3.28Å; E456-V458 PolarHBondContact O-N 3.37Å; V458-D460 PolarHBondContact O-N 3.07Å; V458-D460 VanDerWaalsContact O-N 3.13Å; V458-I461 VanDerWaalsContact O-CG2 3.28Å; V458-I461 WeakPolarHBondContact O-CG2 3.23Å; V458-I461 PolarHBondContact O-N 3.26Å; V458-I461 VanDerWaalsContact O-N 3.15Å; V458-L462 HydrophobicContact CG1-CD1 3.74Å; V458-L462 HydrophobicContact CG1-CD2 3.93Å; V458-L462 HydrophobicContact CG1-CG 3.58Å; V458-L462 VanDerWaalsContact O-CG 3.31Å; V458-L462 WeakPolarHBondContact O-CG 3.27Å; V458-L462 PolarHBondContact O-N 3.13Å; V458-L462 VanDerWaalsContact O-N 3.09Å; V458-F473 HydrophobicContact CG1-CB 3.81Å; V458-F473 HydrophobicContact CG1-CG 4.37Å; V458-F473 HydrophobicContact CG2-CB 4.29Å; V458-F473 HydrophobicContact CG2-CD1 3.85Å; V458-F473 HydrophobicContact CG2-CG 4.33Å; V458-L533 HydrophobicContact CG2-CD1 3.71Å |
| 459 | Q | 94.9 | Very high | 93.7 | Very high | 95 Ų | 95 | 56.5 Ų | 56.5 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.8 | -29.6 | -178.3 | -59.5 | -50.9 | -47.8 | 0 | 0 | 113.2 | N455 E456 Y457 P463 | N455-Q459 WeakPolarHBondContact O-CG 3.44Å; N455-Q459 PolarHBondContact O-NE2 2.72Å; N455-Q459 VanDerWaalsContact O-NE2 3.09Å; E456-Q459 WeakPolarHBondContact O-CB 3.47Å; E456-Q459 PolarHBondContact O-N 3.49Å; E456-Q459 VanDerWaalsContact O-N 3.13Å; Y457-Q459 VanDerWaalsContact C-N 3.28Å; Y457-Q459 PolarHBondContact O-N 3.21Å; Q459-P463 VanDerWaalsContact O-CD 3.29Å; Q459-P463 WeakPolarHBondContact O-CD 3.26Å |
| 460 | D | 93.7 | Very high | 93.6 | Very high | 104 Ų | 104 | 52.5 Ų | 52.5 | 56% | 0.556 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -71.7 | -35.1 | -179.3 | -67.2 | -21.3 | 0 | 0 | 0 | 112.5 | V458 H464 Y530 | V458-D460 PolarHBondContact O-N 3.07Å; V458-D460 VanDerWaalsContact O-N 3.13Å; D460-H464 PolarHBondContact O-ND1 3Å; D460-Y530 HydrophobicContact CB-CD1 4.28Å; D460-Y530 HydrophobicContact CB-CE1 4.23Å |
| 461 | I | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -88.9 | -29.7 | -177.2 | -165.7 | 168 | 0 | 0 | 0 | 112.6 | V458 P463 H464 V465 F473 L518 A525 L527 Y530 L533 | V458-I461 VanDerWaalsContact O-CG2 3.28Å; V458-I461 WeakPolarHBondContact O-CG2 3.23Å; V458-I461 PolarHBondContact O-N 3.26Å; V458-I461 VanDerWaalsContact O-N 3.15Å; I461-P463 VanDerWaalsContact C-N 3.34Å; I461-P463 VanDerWaalsContact O-N 3.16Å; I461-H464 PolarHBondContact O-N 2.69Å; I461-V465 HydrophobicContact CD1-CG1 4.1Å; I461-V465 HydrophobicContact CG1-CG1 3.69Å; I461-V465 PolarHBondContact O-N 3.39Å; I461-F473 HydrophobicContact CD1-CE2 4.25Å; I461-F473 HydrophobicContact CD1-CZ 4.24Å; I461-F473 HydrophobicContact CG2-CD2 4.42Å; I461-F473 HydrophobicContact CG2-CE2 4.15Å; I461-F473 HydrophobicContact CG2-CZ 4.35Å; I461-L518 HydrophobicContact CD1-CD1 4.3Å; I461-A525 HydrophobicContact CD1-CB 4.42Å; I461-A525 HydrophobicContact CG1-CB 4.25Å; I461-L527 HydrophobicContact CD1-CD2 4.4Å; I461-Y530 HydrophobicContact CB-CD1 3.88Å; I461-Y530 HydrophobicContact CB-CD2 4.34Å; I461-Y530 HydrophobicContact CB-CE1 3.83Å; I461-Y530 HydrophobicContact CB-CE2 4.32Å; I461-Y530 HydrophobicContact CB-CG 4.13Å; I461-Y530 HydrophobicContact CD1-CD2 3.6Å; I461-Y530 HydrophobicContact CD1-CE2 3.89Å; I461-Y530 HydrophobicContact CD1-CG 3.99Å; I461-Y530 HydrophobicContact CG1-CD1 4.31Å; I461-Y530 HydrophobicContact CG1-CD2 3.89Å; I461-Y530 HydrophobicContact CG1-CE1 4.16Å; I461-Y530 HydrophobicContact CG1-CE2 3.73Å; I461-Y530 HydrophobicContact CG1-CG 4.18Å; I461-L533 HydrophobicContact CB-CD2 4.12Å; I461-L533 HydrophobicContact CD1-CD2 4.07Å; I461-L533 HydrophobicContact CG2-CD2 3.55Å |
| 462 | L | 93.5 | Very high | 93.5 | Very high | 29 Ų | 29 | 58.4 Ų | 58.4 | 15% | 0.152 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -49.7 | -41 | -175.7 | -79.4 | 177.6 | 0 | 0 | 0 | 115.2 | V458 H464 V465 S470 F473 | V458-L462 HydrophobicContact CG1-CD1 3.74Å; V458-L462 HydrophobicContact CG1-CD2 3.93Å; V458-L462 HydrophobicContact CG1-CG 3.58Å; V458-L462 VanDerWaalsContact O-CG 3.31Å; V458-L462 WeakPolarHBondContact O-CG 3.27Å; V458-L462 PolarHBondContact O-N 3.13Å; V458-L462 VanDerWaalsContact O-N 3.09Å; L462-H464 PolarHBondContact O-N 2.82Å; L462-V465 WeakPolarHBondContact O-CG2 3.38Å; L462-S470 WeakPolarHBondContact CD2-OG 3.35Å; L462-F473 HydrophobicContact CD2-CB 4.37Å |
| 463 | P | 92.8 | Very high | 93.5 | Very high | 102 Ų | 102 | 55.5 Ų | 55.5 | 66% | 0.662 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -66.8 | -16.8 | 178.7 | -21.9 | 34.2 | 0 | 0 | 0 | 114.5 | Q459 I461 | Q459-P463 VanDerWaalsContact O-CD 3.29Å; Q459-P463 WeakPolarHBondContact O-CD 3.26Å; I461-P463 VanDerWaalsContact C-N 3.34Å; I461-P463 VanDerWaalsContact O-N 3.16Å |
| 464 | H | 92.6 | Very high | 93.5 | Very high | 97 Ų | 97 | 57.9 Ų | 57.9 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -108.4 | -7.6 | -170.1 | -54.7 | 95.2 | 0 | 0 | 0 | 113.4 | D460 I461 L462 A524 A525 Y530 | D460-H464 PolarHBondContact O-ND1 3Å; I461-H464 PolarHBondContact O-N 2.69Å; L462-H464 PolarHBondContact O-N 2.82Å; H464-A524 CarbonylContact O-C 3.59Å; H464-A524 WeakPolarHBondContact O-CB 3.17Å; H464-A525 HydrophobicContact CB-CB 3.95Å; H464-Y530 VanDerWaalsContact CG-OH 3.32Å; H464-Y530 PolarHBondContact ND1-OH 3.39Å; H464-Y530 VanDerWaalsContact ND1-OH 3.08Å |
| 465 | V | 91.9 | Very high | 93.6 | Very high | 18 Ų | 18 | 59.9 Ų | 59.9 | 11% | 0.109 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -102.5 | 162.3 | -179.7 | -68.1 | 0 | 0 | 0 | 0 | 111.5 | I461 L462 E469 F473 L518 A525 | I461-V465 HydrophobicContact CD1-CG1 4.1Å; I461-V465 HydrophobicContact CG1-CG1 3.69Å; I461-V465 PolarHBondContact O-N 3.39Å; L462-V465 WeakPolarHBondContact O-CG2 3.38Å; V465-E469 HydrophobicContact CB-CB 3.87Å; V465-E469 WeakPolarHBondContact CB-OE2 3.08Å; V465-E469 HydrophobicContact CG1-CB 4.48Å; V465-E469 HydrophobicContact CG2-CB 4.31Å; V465-F473 HydrophobicContact CG1-CE2 4.46Å; V465-L518 HydrophobicContact CG1-CD1 4.46Å; V465-L518 HydrophobicContact CG1-CD2 3.88Å; V465-A525 HydrophobicContact CG1-CB 3.92Å |
| 466 | N | 89.9 | Confident | 93.6 | Very high | 65 Ų | 65 | 56.7 Ų | 56.7 | 35% | 0.348 | 30% | 0.3 | S | S | . | . | trans | -75.9 | 170.5 | 176.2 | 66.5 | 43.8 | 0 | 0 | 0 | 111.9 | E468 E469 S470 | N466-E468 VanDerWaalsContact C-N 3.31Å; N466-E468 PolarHBondContact O-N 3.48Å; N466-E468 PolarHBondContact OD1-N 3.27Å; N466-E468 VanDerWaalsContact OD1-N 3.12Å; N466-E469 VanDerWaalsContact CG-OE2 3.24Å; N466-E469 PolarHBondContact N-OE2 3.24Å; N466-E469 PolarHBondContact ND2-OE1 3.05Å; N466-E469 PolarHBondContact ND2-OE2 3.25Å; N466-E469 PolarHBondContact O-N 3.04Å; N466-E469 WeakPolarHBondContact OD1-CB 3.31Å; N466-E469 VanDerWaalsContact OD1-CD 3.31Å; N466-E469 VanDerWaalsContact OD1-CG 3.28Å; N466-E469 WeakPolarHBondContact OD1-CG 3.42Å; N466-E469 PolarHBondContact OD1-N 2.94Å; N466-E469 PolarHBondContact OD1-OE2 3.39Å; N466-S470 VanDerWaalsContact O-CB 3.32Å; N466-S470 WeakPolarHBondContact O-CB 3.29Å; N466-S470 PolarHBondContact O-N 3.38Å | ||
| 467 | N | 88.2 | Confident | 93.5 | Very high | 141 Ų | 141 | 50.7 Ų | 50.7 | 75% | 0.754 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.5 | -36.6 | -178.5 | -73.3 | -16.6 | 0 | 0 | 0 | 113.2 | V471 | N467-V471 VanDerWaalsContact O-CG2 3.24Å; N467-V471 WeakPolarHBondContact O-CG2 3.15Å; N467-V471 PolarHBondContact O-N 3.26Å |
| 468 | E | 88.2 | Confident | 93.5 | Very high | 87 Ų | 87 | 53.8 Ų | 53.8 | 41% | 0.407 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.1 | -46.8 | -179.6 | -64.5 | -177.6 | 164.6 | 0 | 0 | 110.7 | I4 N466 V471 I472 | I4-E468 HydrophobicContact CD1-CB 3.69Å; I4-E468 VanDerWaalsContact CD1-OE2 3.27Å; I4-E468 WeakPolarHBondContact CD1-OE2 3.43Å; N466-E468 VanDerWaalsContact C-N 3.31Å; N466-E468 PolarHBondContact O-N 3.48Å; N466-E468 PolarHBondContact OD1-N 3.27Å; N466-E468 VanDerWaalsContact OD1-N 3.12Å; E468-V471 PolarHBondContact O-N 2.77Å; E468-I472 WeakPolarHBondContact O-CG1 3.32Å; E468-I472 PolarHBondContact O-N 3.29Å |
| 469 | E | 91.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.4 | -70.8 | 155.4 | -172.9 | 0 | 0 | 111.9 | V465 N466 V471 I472 F473 L514 L518 | V465-E469 HydrophobicContact CB-CB 3.87Å; V465-E469 WeakPolarHBondContact CB-OE2 3.08Å; V465-E469 HydrophobicContact CG1-CB 4.48Å; V465-E469 HydrophobicContact CG2-CB 4.31Å; N466-E469 VanDerWaalsContact CG-OE2 3.24Å; N466-E469 PolarHBondContact N-OE2 3.24Å; N466-E469 PolarHBondContact ND2-OE1 3.05Å; N466-E469 PolarHBondContact ND2-OE2 3.25Å; N466-E469 PolarHBondContact O-N 3.04Å; N466-E469 WeakPolarHBondContact OD1-CB 3.31Å; N466-E469 VanDerWaalsContact OD1-CD 3.31Å; N466-E469 VanDerWaalsContact OD1-CG 3.28Å; N466-E469 WeakPolarHBondContact OD1-CG 3.42Å; N466-E469 PolarHBondContact OD1-N 2.94Å; N466-E469 PolarHBondContact OD1-OE2 3.39Å; E469-V471 VanDerWaalsContact C-N 3.33Å; E469-V471 PolarHBondContact O-N 3.27Å; E469-I472 PolarHBondContact O-N 3.18Å; E469-F473 WeakPolarHBondContact O-CD2 3.09Å; E469-F473 PolarHBondContact O-N 3.44Å; E469-L514 HydrophobicContact CB-CD2 3.93Å; E469-L514 HydrophobicContact CG-CD2 4.02Å; E469-L518 HydrophobicContact CG-CD2 4.33Å |
| 470 | S | 92.8 | Very high | 93.5 | Very high | 29 Ų | 29 | 53.2 Ų | 53.2 | 20% | 0.203 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 176 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | L462 N466 I472 N474 | L462-S470 WeakPolarHBondContact CD2-OG 3.35Å; N466-S470 VanDerWaalsContact O-CB 3.32Å; N466-S470 WeakPolarHBondContact O-CB 3.29Å; N466-S470 PolarHBondContact O-N 3.38Å; S470-I472 VanDerWaalsContact C-N 3.35Å; S470-I472 PolarHBondContact O-N 3.35Å; S470-N474 WeakPolarHBondContact O-CB 3.3Å; S470-N474 PolarHBondContact O-N 3.13Å; S470-N474 PolarHBondContact O-ND2 2.91Å; S470-N474 PolarHBondContact OG-ND2 3.04Å |
| 471 | V | 94.9 | Very high | 93.5 | Very high | 101 Ų | 101 | 50.1 Ų | 50.1 | 61% | 0.612 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 175.9 | 168.4 | 0 | 0 | 0 | 0 | 111 | N467 E468 E469 S475 | N467-V471 VanDerWaalsContact O-CG2 3.24Å; N467-V471 WeakPolarHBondContact O-CG2 3.15Å; N467-V471 PolarHBondContact O-N 3.26Å; E468-V471 PolarHBondContact O-N 2.77Å; E469-V471 VanDerWaalsContact C-N 3.33Å; E469-V471 PolarHBondContact O-N 3.27Å; V471-S475 VanDerWaalsContact O-CB 3.22Å; V471-S475 WeakPolarHBondContact O-CB 3.44Å; V471-S475 PolarHBondContact O-N 2.9Å |
| 472 | I | 94.8 | Very high | 93.4 | Very high | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -49.9 | 179.1 | -62.3 | 170.8 | 0 | 0 | 0 | 110.8 | E468 E469 S470 N474 S475 I476 D510 L514 | E468-I472 WeakPolarHBondContact O-CG1 3.32Å; E468-I472 PolarHBondContact O-N 3.29Å; E469-I472 PolarHBondContact O-N 3.18Å; S470-I472 VanDerWaalsContact C-N 3.35Å; S470-I472 PolarHBondContact O-N 3.35Å; I472-N474 PolarHBondContact O-N 3.01Å; I472-S475 WeakPolarHBondContact O-CB 3.24Å; I472-S475 PolarHBondContact O-N 2.9Å; I472-I476 HydrophobicContact CG2-CD1 3.96Å; I472-I476 HydrophobicContact CG2-CG1 4.44Å; I472-I476 WeakPolarHBondContact O-CG1 3.31Å; I472-I476 PolarHBondContact O-N 3.37Å; I472-D510 HydrophobicContact CG2-CB 3.59Å; I472-L514 HydrophobicContact CB-CD1 4.17Å; I472-L514 HydrophobicContact CB-CD2 4.18Å; I472-L514 HydrophobicContact CB-CG 4.23Å; I472-L514 HydrophobicContact CD1-CD2 4.36Å; I472-L514 HydrophobicContact CG2-CD1 3.55Å; I472-L514 HydrophobicContact CG2-CD2 4.31Å; I472-L514 HydrophobicContact CG2-CG 3.8Å |
| 473 | F | 95.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.5 | -47.5 | 178.2 | -83.6 | -60.7 | 0 | 0 | 0 | 112.3 | V458 I461 L462 V465 E469 S475 I476 A477 W511 L514 L518 L533 | V458-F473 HydrophobicContact CG1-CB 3.81Å; V458-F473 HydrophobicContact CG1-CG 4.37Å; V458-F473 HydrophobicContact CG2-CB 4.29Å; V458-F473 HydrophobicContact CG2-CD1 3.85Å; V458-F473 HydrophobicContact CG2-CG 4.33Å; I461-F473 HydrophobicContact CD1-CE2 4.25Å; I461-F473 HydrophobicContact CD1-CZ 4.24Å; I461-F473 HydrophobicContact CG2-CD2 4.42Å; I461-F473 HydrophobicContact CG2-CE2 4.15Å; I461-F473 HydrophobicContact CG2-CZ 4.35Å; L462-F473 HydrophobicContact CD2-CB 4.37Å; V465-F473 HydrophobicContact CG1-CE2 4.46Å; E469-F473 WeakPolarHBondContact O-CD2 3.09Å; E469-F473 PolarHBondContact O-N 3.44Å; F473-S475 VanDerWaalsContact C-N 3.31Å; F473-S475 PolarHBondContact O-N 3.47Å; F473-I476 PolarHBondContact O-N 3.5Å; F473-A477 WeakPolarHBondContact O-CB 3.35Å; F473-A477 PolarHBondContact O-N 3.35Å; F473-W511 HydrophobicContact CE1-CZ3 4.06Å; F473-W511 HydrophobicContact CZ-CZ3 4.33Å; F473-L514 HydrophobicContact CD1-CD1 3.75Å; F473-L514 HydrophobicContact CD2-CD1 4.18Å; F473-L514 HydrophobicContact CD2-CD2 4.12Å; F473-L514 HydrophobicContact CE1-CD1 3.67Å; F473-L514 HydrophobicContact CE2-CD1 4.12Å; F473-L514 HydrophobicContact CE2-CD2 3.9Å; F473-L514 HydrophobicContact CG-CD1 4.01Å; F473-L514 HydrophobicContact CZ-CD1 3.86Å; F473-L514 HydrophobicContact CZ-CD2 4.29Å; F473-L518 HydrophobicContact CE2-CD1 3.75Å; F473-L518 HydrophobicContact CZ-CD1 3.83Å; F473-L533 HydrophobicContact CE1-CD2 4.07Å; F473-L533 HydrophobicContact CZ-CD2 4.18Å |
| 474 | N | 95.6 | Very high | 92.9 | Very high | 62 Ų | 62 | 50.7 Ų | 50.7 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 178.1 | -76.7 | -53.9 | 0 | 0 | 0 | 112 | S470 I472 K478 | S470-N474 WeakPolarHBondContact O-CB 3.3Å; S470-N474 PolarHBondContact O-N 3.13Å; S470-N474 PolarHBondContact O-ND2 2.91Å; S470-N474 PolarHBondContact OG-ND2 3.04Å; I472-N474 PolarHBondContact O-N 3.01Å; N474-K478 WeakPolarHBondContact O-CB 3.27Å; N474-K478 PolarHBondContact O-N 3.26Å |
| 475 | S | 95.9 | Very high | 92.5 | Very high | 41 Ų | 41 | 51.4 Ų | 51.4 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 175.8 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | V471 I472 F473 K478 Q479 | V471-S475 VanDerWaalsContact O-CB 3.22Å; V471-S475 WeakPolarHBondContact O-CB 3.44Å; V471-S475 PolarHBondContact O-N 2.9Å; I472-S475 WeakPolarHBondContact O-CB 3.24Å; I472-S475 PolarHBondContact O-N 2.9Å; F473-S475 VanDerWaalsContact C-N 3.31Å; F473-S475 PolarHBondContact O-N 3.47Å; S475-K478 PolarHBondContact O-N 3.13Å; S475-Q479 WeakPolarHBondContact O-CB 3.41Å; S475-Q479 VanDerWaalsContact O-CG 3.25Å; S475-Q479 WeakPolarHBondContact O-CG 3.33Å; S475-Q479 PolarHBondContact O-N 3.3Å; S475-Q479 PolarHBondContact OG-NE2 3.27Å |
| 476 | I | 96.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62 | -51.3 | 178.8 | -63.3 | 170.6 | 0 | 0 | 0 | 110.5 | L454 I472 F473 K478 Q479 L480 I507 D510 L514 | L454-I476 HydrophobicContact CD2-CB 4.49Å; L454-I476 HydrophobicContact CD2-CG2 3.62Å; I472-I476 HydrophobicContact CG2-CD1 3.96Å; I472-I476 HydrophobicContact CG2-CG1 4.44Å; I472-I476 WeakPolarHBondContact O-CG1 3.31Å; I472-I476 PolarHBondContact O-N 3.37Å; F473-I476 PolarHBondContact O-N 3.5Å; I476-K478 VanDerWaalsContact C-N 3.33Å; I476-K478 PolarHBondContact O-N 3.31Å; I476-Q479 PolarHBondContact O-N 3.2Å; I476-L480 HydrophobicContact CG2-CD1 4.12Å; I476-L480 WeakPolarHBondContact O-CG 3.26Å; I476-L480 PolarHBondContact O-N 3.33Å; I476-L480 VanDerWaalsContact O-N 3.12Å; I476-I507 HydrophobicContact CD1-CG2 4.44Å; I476-I507 HydrophobicContact CG1-CG2 4.21Å; I476-I507 HydrophobicContact CG2-CD1 4.49Å; I476-I507 HydrophobicContact CG2-CG2 3.76Å; I476-D510 HydrophobicContact CD1-CB 4.15Å; I476-L514 HydrophobicContact CD1-CD1 4.24Å |
| 477 | A | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -43.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L454 N455 F473 L480 C481 | L454-A477 HydrophobicContact CD2-CB 4.44Å; L454-A477 HydrophobicContact CG-CB 4.42Å; N455-A477 HydrophobicContact CB-CB 4.2Å; F473-A477 WeakPolarHBondContact O-CB 3.35Å; F473-A477 PolarHBondContact O-N 3.35Å; A477-L480 PolarHBondContact O-N 3.48Å; A477-C481 WeakPolarHBondContact O-CB 3.4Å; A477-C481 PolarHBondContact O-N 3.35Å; A477-C481 PolarHBondContact O-SG 3.01Å; A477-C481 VanDerWaalsContact O-SG 3.34Å |
| 478 | K | 94.6 | Very high | 91.1 | Very high | 126 Ų | 126 | 48.1 Ų | 48.1 | 55% | 0.548 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.2 | -49.6 | 177.2 | -179.2 | 179.5 | 173 | -176.9 | 0 | 111.9 | N474 S475 I476 L480 C481 E482 | N474-K478 WeakPolarHBondContact O-CB 3.27Å; N474-K478 PolarHBondContact O-N 3.26Å; S475-K478 PolarHBondContact O-N 3.13Å; I476-K478 VanDerWaalsContact C-N 3.33Å; I476-K478 PolarHBondContact O-N 3.31Å; K478-L480 VanDerWaalsContact C-N 3.28Å; K478-L480 PolarHBondContact O-N 3.24Å; K478-C481 PolarHBondContact O-N 2.88Å; K478-E482 WeakPolarHBondContact CE-OE1 3.32Å; K478-E482 HydrophobicContact CG-CG 4.35Å; K478-E482 IonicContact NZ-OE1 2.8Å; K478-E482 WeakPolarHBondContact O-CB 3.33Å; K478-E482 WeakPolarHBondContact O-CG 3.44Å; K478-E482 PolarHBondContact O-N 3.44Å |
| 479 | Q | 94.2 | Very high | 90.5 | Very high | 82 Ų | 82 | 44.3 Ų | 44.3 | 38% | 0.383 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.9 | -41.8 | -179.5 | -75.6 | 176.8 | 39.3 | 0 | 0 | 111.8 | S475 I476 L483 I507 | S475-Q479 WeakPolarHBondContact O-CB 3.41Å; S475-Q479 VanDerWaalsContact O-CG 3.25Å; S475-Q479 WeakPolarHBondContact O-CG 3.33Å; S475-Q479 PolarHBondContact O-N 3.3Å; S475-Q479 PolarHBondContact OG-NE2 3.27Å; I476-Q479 PolarHBondContact O-N 3.2Å; Q479-L483 PolarHBondContact O-N 3.09Å; Q479-I507 HydrophobicContact CB-CD1 4.32Å |
| 480 | L | 95.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.4 | -44.2 | 178.3 | -66.5 | 175.9 | 0 | 0 | 0 | 112.4 | L446 G447 L454 I476 A477 K478 E482 L483 F504 I507 T540 | L446-L480 HydrophobicContact CB-CD2 4.37Å; L446-L480 HydrophobicContact CD2-CD2 4.06Å; G447-L480 WeakPolarHBondContact CA-O 3.32Å; L454-L480 HydrophobicContact CD2-CD1 3.9Å; I476-L480 HydrophobicContact CG2-CD1 4.12Å; I476-L480 WeakPolarHBondContact O-CG 3.26Å; I476-L480 PolarHBondContact O-N 3.33Å; I476-L480 VanDerWaalsContact O-N 3.12Å; A477-L480 PolarHBondContact O-N 3.48Å; K478-L480 VanDerWaalsContact C-N 3.28Å; K478-L480 PolarHBondContact O-N 3.24Å; L480-E482 VanDerWaalsContact C-N 3.3Å; L480-E482 PolarHBondContact O-N 3.25Å; L480-L483 HydrophobicContact CD2-CD1 3.92Å; L480-L483 VanDerWaalsContact O-CB 3.27Å; L480-L483 WeakPolarHBondContact O-CB 3.45Å; L480-L483 PolarHBondContact O-N 3.36Å; L480-L483 VanDerWaalsContact O-N 3.15Å; L480-F504 HydrophobicContact CD2-CE1 4.47Å; L480-I507 HydrophobicContact CD2-CD1 4.1Å; L480-I507 HydrophobicContact CG-CD1 4.3Å; L480-T540 HydrophobicContact CD1-CG2 3.47Å; L480-T540 VanDerWaalsContact CD1-CG2 3.47Å |
| 481 | C | 94.3 | Very high | 88.4 | Confident | 40 Ų | 40 | 55 Ų | 55 | 27% | 0.27 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 176.2 | -73.8 | 0 | 0 | 0 | 0 | 112.4 | A477 K478 L483 A484 | A477-C481 WeakPolarHBondContact O-CB 3.4Å; A477-C481 PolarHBondContact O-N 3.35Å; A477-C481 PolarHBondContact O-SG 3.01Å; A477-C481 VanDerWaalsContact O-SG 3.34Å; K478-C481 PolarHBondContact O-N 2.88Å; C481-L483 PolarHBondContact O-N 2.71Å; C481-A484 WeakPolarHBondContact O-CB 3.47Å; C481-A484 PolarHBondContact O-N 2.73Å |
| 482 | E | 92.1 | Very high | 86.7 | Confident | 102 Ų | 102 | 54.5 Ų | 54.5 | 48% | 0.477 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.4 | -18.2 | 178.4 | -72.8 | 177.3 | 166 | 0 | 0 | 113 | K478 L480 A484 D485 N486 | K478-E482 WeakPolarHBondContact CE-OE1 3.32Å; K478-E482 HydrophobicContact CG-CG 4.35Å; K478-E482 IonicContact NZ-OE1 2.8Å; K478-E482 WeakPolarHBondContact O-CB 3.33Å; K478-E482 WeakPolarHBondContact O-CG 3.44Å; K478-E482 PolarHBondContact O-N 3.44Å; L480-E482 VanDerWaalsContact C-N 3.3Å; L480-E482 PolarHBondContact O-N 3.25Å; E482-A484 PolarHBondContact O-N 3.42Å; E482-D485 PolarHBondContact O-N 2.92Å; E482-N486 PolarHBondContact O-N 2.82Å |
| 483 | L | 90.1 | Very high | 85.1 | Confident | 13 Ų | 13 | 59.7 Ų | 59.7 | 7% | 0.068 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.5 | -33.5 | 172.9 | -65.4 | 173.7 | 0 | 0 | 0 | 112.2 | L446 Q479 L480 C481 D485 N486 F502 F504 | L446-L483 HydrophobicContact CB-CD1 3.84Å; Q479-L483 PolarHBondContact O-N 3.09Å; L480-L483 HydrophobicContact CD2-CD1 3.92Å; L480-L483 VanDerWaalsContact O-CB 3.27Å; L480-L483 WeakPolarHBondContact O-CB 3.45Å; L480-L483 PolarHBondContact O-N 3.36Å; L480-L483 VanDerWaalsContact O-N 3.15Å; C481-L483 PolarHBondContact O-N 2.71Å; L483-D485 PolarHBondContact O-N 2.77Å; L483-N486 WeakPolarHBondContact O-CB 3.22Å; L483-N486 PolarHBondContact O-N 3.35Å; L483-N486 VanDerWaalsContact O-N 3.13Å; L483-F502 HydrophobicContact CD2-CD1 3.97Å; L483-F502 HydrophobicContact CD2-CE1 3.77Å; L483-F504 HydrophobicContact CD1-CE1 3.98Å; L483-F504 HydrophobicContact CD1-CZ 3.84Å; L483-F504 HydrophobicContact CD2-CE1 4.39Å; L483-F504 HydrophobicContact CD2-CZ 4.2Å |
| 484 | A | 85 | Confident | 83.6 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 23% | 0.231 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -25 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C481 E482 R490 | C481-A484 WeakPolarHBondContact O-CB 3.47Å; C481-A484 PolarHBondContact O-N 2.73Å; E482-A484 PolarHBondContact O-N 3.42Å; A484-R490 PolarHBondContact O-NE 3.07Å; A484-R490 PolarHBondContact O-NH2 3.46Å |
| 485 | D | 84.6 | Confident | 82.2 | Confident | 112 Ų | 112 | 59.8 Ų | 59.8 | 60% | 0.599 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -9.2 | 176.5 | -70.7 | -37.8 | 0 | 0 | 0 | 113.2 | E482 L483 P487 R490 | E482-D485 PolarHBondContact O-N 2.92Å; L483-D485 PolarHBondContact O-N 2.77Å; D485-P487 WeakPolarHBondContact O-CD 3.4Å; D485-R490 IonicContact OD1-CZ 2.61Å; D485-R490 IonicContact OD1-NH2 3.13Å; D485-R490 PolarHBondContact OD1-NH2 3.48Å |
| 486 | N | 84 | Confident | 80.5 | Confident | 47 Ų | 47 | 62.3 Ų | 62.3 | 25% | 0.251 | 33% | 0.33 | S | S | . | . | trans | -67.9 | 120.7 | 178.1 | -169.2 | -41.6 | 0 | 0 | 0 | 110.2 | E482 L483 V488 V489 R490 | E482-N486 PolarHBondContact O-N 2.82Å; L483-N486 WeakPolarHBondContact O-CB 3.22Å; L483-N486 PolarHBondContact O-N 3.35Å; L483-N486 VanDerWaalsContact O-N 3.13Å; N486-V488 PolarHBondContact O-N 3.07Å; N486-V488 VanDerWaalsContact OD1-CB 3.3Å; N486-V488 WeakPolarHBondContact OD1-CB 3.39Å; N486-V488 PolarHBondContact OD1-N 3.28Å; N486-V489 HydrophobicContact CB-CB 4.47Å; N486-V489 HydrophobicContact CB-CG2 3.98Å; N486-V489 PolarHBondContact O-N 2.82Å; N486-V489 VanDerWaalsContact O-N 3.1Å; N486-R490 PolarHBondContact O-N 3Å | ||
| 487 | P | 79.8 | Confident | 78.9 | Confident | 84 Ų | 84 | 68.7 Ų | 68.7 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.2 | -32.6 | -177.2 | 24 | -33.8 | 0 | 0 | 0 | 112.4 | D485 V489 R490 E491 | D485-P487 WeakPolarHBondContact O-CD 3.4Å; P487-V489 VanDerWaalsContact C-N 3.28Å; P487-V489 PolarHBondContact O-N 3.13Å; P487-R490 PolarHBondContact O-N 3.4Å; P487-R490 VanDerWaalsContact O-N 3.12Å; P487-E491 WeakPolarHBondContact O-CG 3.5Å; P487-E491 PolarHBondContact O-N 3.4Å |
| 488 | V | 76.5 | Confident | 77.5 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 15% | 0.145 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.8 | -34.3 | 179.6 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | N486 R490 L494 Q498 F502 | N486-V488 PolarHBondContact O-N 3.07Å; N486-V488 VanDerWaalsContact OD1-CB 3.3Å; N486-V488 WeakPolarHBondContact OD1-CB 3.39Å; N486-V488 PolarHBondContact OD1-N 3.28Å; V488-R490 VanDerWaalsContact C-N 3.35Å; V488-L494 HydrophobicContact CG1-CD2 3.31Å; V488-L494 WeakPolarHBondContact O-CD2 3.46Å; V488-Q498 HydrophobicContact CG1-CB 4.05Å; V488-Q498 HydrophobicContact CG1-CG 4.32Å; V488-F502 HydrophobicContact CB-CZ 4.47Å; V488-F502 HydrophobicContact CG1-CE2 4.16Å; V488-F502 HydrophobicContact CG1-CZ 4.4Å |
| 489 | V | 76.5 | Confident | 75.9 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -74.1 | -28.6 | 177.6 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | L443 Q444 N486 P487 F502 | L443-V489 HydrophobicContact CB-CG1 4.19Å; L443-V489 HydrophobicContact CB-CG2 4.24Å; Q444-V489 HydrophobicContact CG-CG1 3.82Å; Q444-V489 PolarHBondContact NE2-O 2.78Å; N486-V489 HydrophobicContact CB-CB 4.47Å; N486-V489 HydrophobicContact CB-CG2 3.98Å; N486-V489 PolarHBondContact O-N 2.82Å; N486-V489 VanDerWaalsContact O-N 3.1Å; P487-V489 VanDerWaalsContact C-N 3.28Å; P487-V489 PolarHBondContact O-N 3.13Å; V489-F502 HydrophobicContact CG2-CE1 4.39Å; V489-F502 HydrophobicContact CG2-CZ 3.94Å |
| 490 | R | 71.1 | Confident | 74.5 | Confident | 163 Ų | 163 | 66.7 Ų | 66.7 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -80.3 | -28 | 177 | -64.7 | -174.4 | -179.9 | 177.3 | 2.6 | 112.9 | A484 D485 N486 P487 V488 | A484-R490 PolarHBondContact O-NE 3.07Å; A484-R490 PolarHBondContact O-NH2 3.46Å; D485-R490 IonicContact OD1-CZ 2.61Å; D485-R490 IonicContact OD1-NH2 3.13Å; D485-R490 PolarHBondContact OD1-NH2 3.48Å; N486-R490 PolarHBondContact O-N 3Å; P487-R490 PolarHBondContact O-N 3.4Å; P487-R490 VanDerWaalsContact O-N 3.12Å; V488-R490 VanDerWaalsContact C-N 3.35Å |
| 491 | E | 68.6 | Low | 73.4 | Confident | 97 Ų | 97 | 72.3 Ų | 72.3 | 45% | 0.453 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -64.2 | 145.6 | 176.8 | -78.2 | 177.5 | -171.9 | 0 | 0 | 112.2 | P487 | P487-E491 WeakPolarHBondContact O-CG 3.5Å; P487-E491 PolarHBondContact O-N 3.4Å |
| 492 | T | 59.9 | Low | 73.1 | Confident | 91 Ų | 91 | 71.5 Ų | 71.5 | 56% | 0.558 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -80.4 | -20 | -176.1 | 48.9 | 0 | 0 | 0 | 0 | 114 | R440 | R440-T492 VanDerWaalsContact CZ-O 3.29Å; R440-T492 PolarHBondContact NH1-O 3.2Å |
| 493 | N | 61.2 | Low | 73.1 | Confident | 133 Ų | 133 | 72 Ų | 72 | 71% | 0.711 | 39% | 0.392 | S | S | * | . | trans | -125.4 | 85.9 | -173.6 | -68 | -21.9 | 0 | 0 | 0 | 110.3 | S495 | N493-S495 PolarHBondContact O-N 2.78Š| ||
| 494 | L | 63.4 | Low | 73.4 | Confident | 19 Ų | 19 | 72 Ų | 72 | 10% | 0.099 | 39% | 0.391 | C | S | . | . | trans | -65.2 | 116.3 | 166.1 | -70 | 176.7 | 0 | 0 | 0 | 108.6 | R440 L443 V488 Q498 | R440-L494 HydrophobicContact CB-CD1 3.72Å; R440-L494 HydrophobicContact CG-CD1 4.12Å; L443-L494 HydrophobicContact CD1-CD1 4.05Å; V488-L494 HydrophobicContact CG1-CD2 3.31Å; V488-L494 WeakPolarHBondContact O-CD2 3.46Å; L494-Q498 HydrophobicContact CD2-CB 4.24Å | ||
| 495 | S | 66.4 | Low | 73.8 | Confident | 46 Ų | 46 | 73.3 Ų | 73.3 | 32% | 0.322 | 40% | 0.399 | S | S | . | . | trans | -68.8 | 150.9 | 163.8 | 64.7 | 0 | 0 | 0 | 0 | 109.8 | N493 I497 Q498 S499 | N493-S495 PolarHBondContact O-N 2.78Å; S495-I497 PolarHBondContact O-N 3.37Å; S495-Q498 WeakPolarHBondContact O-CA 3.29Å; S495-Q498 WeakPolarHBondContact O-CB 3.39Å; S495-Q498 PolarHBondContact O-N 2.97Å; S495-Q498 VanDerWaalsContact OG-CG 3.3Å; S495-Q498 WeakPolarHBondContact OG-CG 3.29Å; S495-Q498 PolarHBondContact OG-N 3.08Å; S495-Q498 PolarHBondContact OG-OE1 3.5Å; S495-S499 PolarHBondContact O-N 3.04Å | ||
| 496 | P | 61.7 | Low | 74.3 | Confident | 93 Ų | 93 | 69.8 Ų | 69.8 | 60% | 0.604 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -55.3 | -26.6 | 176.6 | -25.2 | 33 | 0 | 0 | 0 | 114 | S499 | P496-S499 VanDerWaalsContact C-OG 3.32Å; P496-S499 WeakPolarHBondContact CA-OG 3.37Å; P496-S499 PolarHBondContact O-OG 2.71Å |
| 497 | I | 61.8 | Low | 74.9 | Confident | 135 Ų | 135 | 67.7 Ų | 67.7 | 69% | 0.692 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -74.2 | -32.1 | 177 | -58.4 | 168.4 | 0 | 0 | 0 | 110.7 | S495 T500 | S495-I497 PolarHBondContact O-N 3.37Å; I497-T500 PolarHBondContact O-OG1 2.96Å |
| 498 | Q | 65.6 | Low | 75.7 | Confident | 43 Ų | 43 | 65.4 Ų | 65.4 | 20% | 0.201 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73.9 | -31.5 | 177.1 | -75.9 | 165.5 | -39.6 | 0 | 0 | 112.3 | V488 L494 S495 T500 L501 | V488-Q498 HydrophobicContact CG1-CB 4.05Å; V488-Q498 HydrophobicContact CG1-CG 4.32Å; L494-Q498 HydrophobicContact CD2-CB 4.24Å; S495-Q498 WeakPolarHBondContact O-CA 3.29Å; S495-Q498 WeakPolarHBondContact O-CB 3.39Å; S495-Q498 PolarHBondContact O-N 2.97Å; S495-Q498 VanDerWaalsContact OG-CG 3.3Å; S495-Q498 WeakPolarHBondContact OG-CG 3.29Å; S495-Q498 PolarHBondContact OG-N 3.08Å; S495-Q498 PolarHBondContact OG-OE1 3.5Å; Q498-T500 VanDerWaalsContact C-N 3.29Å; Q498-T500 PolarHBondContact O-N 3.37Å; Q498-L501 HydrophobicContact CB-CD1 4.18Å; Q498-L501 HydrophobicContact CG-CD1 4.18Å; Q498-L501 VanDerWaalsContact O-CB 3.24Å; Q498-L501 WeakPolarHBondContact O-CB 3.25Å; Q498-L501 WeakPolarHBondContact O-CG 3.4Å; Q498-L501 PolarHBondContact O-N 3.03Å; Q498-L501 VanDerWaalsContact O-N 3.17Å |
| 499 | S | 60.7 | Low | 76.5 | Confident | 10 Ų | 10 | 67.1 Ų | 67.1 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.5 | -32.7 | 175.7 | 39.2 | 0 | 0 | 0 | 0 | 113.1 | Q439 S495 P496 L501 | Q439-S499 PolarHBondContact OE1-OG 3.35Å; S495-S499 PolarHBondContact O-N 3.04Å; P496-S499 VanDerWaalsContact C-OG 3.32Å; P496-S499 WeakPolarHBondContact CA-OG 3.37Å; P496-S499 PolarHBondContact O-OG 2.71Å; S499-L501 PolarHBondContact O-N 3.36Å; S499-L501 VanDerWaalsContact O-N 3.17Å |
| 500 | T | 65.8 | Low | 77.5 | Confident | 113 Ų | 113 | 68.1 Ų | 68.1 | 69% | 0.693 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -2.6 | 176.2 | 52 | 0 | 0 | 0 | 0 | 114 | I497 Q498 F502 | I497-T500 PolarHBondContact O-OG1 2.96Å; Q498-T500 VanDerWaalsContact C-N 3.29Å; Q498-T500 PolarHBondContact O-N 3.37Å; T500-F502 VanDerWaalsContact C-N 3.35Å |
| 501 | L | 73 | Confident | 78.6 | Confident | 119 Ų | 119 | 60.3 Ų | 60.3 | 62% | 0.623 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -17 | 178.8 | -65.2 | 168.7 | 0 | 0 | 0 | 113.4 | Q498 S499 | Q498-L501 HydrophobicContact CB-CD1 4.18Å; Q498-L501 HydrophobicContact CG-CD1 4.18Å; Q498-L501 VanDerWaalsContact O-CB 3.24Å; Q498-L501 WeakPolarHBondContact O-CB 3.25Å; Q498-L501 WeakPolarHBondContact O-CG 3.4Å; Q498-L501 PolarHBondContact O-N 3.03Å; Q498-L501 VanDerWaalsContact O-N 3.17Å; S499-L501 PolarHBondContact O-N 3.36Å; S499-L501 VanDerWaalsContact O-N 3.17Å |
| 502 | F | 87.3 | Confident | 79.9 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 10% | 0.096 | 32% | 0.322 | C | S | . | . | trans | -103.3 | 116.6 | -176.9 | -61.8 | -84.8 | 0 | 0 | 0 | 110.4 | L443 L483 V488 V489 T500 F504 V547 D548 | L443-F502 HydrophobicContact CD1-CD2 3.82Å; L443-F502 HydrophobicContact CD1-CE2 3.8Å; L443-F502 HydrophobicContact CD1-CG 4.45Å; L443-F502 HydrophobicContact CD1-CZ 4.4Å; L443-F502 HydrophobicContact CD2-CB 4.39Å; L443-F502 HydrophobicContact CD2-CD1 3.92Å; L443-F502 HydrophobicContact CD2-CD2 4.08Å; L443-F502 HydrophobicContact CD2-CE1 4.17Å; L443-F502 HydrophobicContact CD2-CE2 4.33Å; L443-F502 HydrophobicContact CD2-CG 3.86Å; L443-F502 HydrophobicContact CD2-CZ 4.38Å; L483-F502 HydrophobicContact CD2-CD1 3.97Å; L483-F502 HydrophobicContact CD2-CE1 3.77Å; V488-F502 HydrophobicContact CB-CZ 4.47Å; V488-F502 HydrophobicContact CG1-CE2 4.16Å; V488-F502 HydrophobicContact CG1-CZ 4.4Å; V489-F502 HydrophobicContact CG2-CE1 4.39Å; V489-F502 HydrophobicContact CG2-CZ 3.94Å; T500-F502 VanDerWaalsContact C-N 3.35Å; F502-F504 HydrophobicContact CB-CE2 3.94Å; F502-F504 HydrophobicContact CB-CZ 4.25Å; F502-F504 HydrophobicContact CD1-CZ 4.36Å; F502-V547 HydrophobicContact CB-CG1 4.33Å; F502-D548 VanDerWaalsContact O-CB 3.27Å; F502-D548 WeakPolarHBondContact O-CB 3.36Å | ||
| 503 | D | 91.6 | Very high | 81.5 | Confident | 114 Ų | 114 | 55.3 Ų | 55.3 | 61% | 0.61 | 31% | 0.309 | S | S | * | . | trans | -121.1 | 117.7 | 173.3 | 177.5 | 6.5 | 0 | 0 | 0 | 109.1 | S505 | D503-S505 VanDerWaalsContact CG-OG 3.27Å; D503-S505 WeakPolarHBondContact OD1-CB 3.24Å; D503-S505 PolarHBondContact OD1-N 2.97Å; D503-S505 PolarHBondContact OD1-OG 3.34Å; D503-S505 PolarHBondContact OD2-OG 3.45Å; D503-S505 VanDerWaalsContact OD2-OG 3.13Å | ||
| 504 | F | 96.2 | Very high | 83.1 | Confident | 12 Ų | 12 | 49 Ų | 49 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | trans | -107.1 | 11.3 | -179.8 | -62.8 | -67.5 | 0 | 0 | 0 | 112.3 | L443 L446 L480 L483 F502 G506 I507 R508 T544 V547 D548 | L443-F504 HydrophobicContact CD2-CE2 4.14Å; L443-F504 HydrophobicContact CD2-CZ 4.04Å; L446-F504 HydrophobicContact CD1-CE2 4.11Å; L446-F504 HydrophobicContact CD1-CZ 4.14Å; L480-F504 HydrophobicContact CD2-CE1 4.47Å; L483-F504 HydrophobicContact CD1-CE1 3.98Å; L483-F504 HydrophobicContact CD1-CZ 3.84Å; L483-F504 HydrophobicContact CD2-CE1 4.39Å; L483-F504 HydrophobicContact CD2-CZ 4.2Å; F502-F504 HydrophobicContact CB-CE2 3.94Å; F502-F504 HydrophobicContact CB-CZ 4.25Å; F502-F504 HydrophobicContact CD1-CZ 4.36Å; F504-G506 PolarHBondContact O-N 3.26Å; F504-I507 HydrophobicContact CD1-CD1 3.79Å; F504-I507 HydrophobicContact CE1-CD1 4.4Å; F504-I507 PolarHBondContact O-N 3.08Å; F504-I507 VanDerWaalsContact O-N 3.15Å; F504-R508 PolarHBondContact O-N 2.83Å; F504-R508 VanDerWaalsContact O-N 3.1Å; F504-T544 HydrophobicContact CB-CG2 4Å; F504-T544 HydrophobicContact CD1-CG2 4.34Å; F504-T544 HydrophobicContact CD2-CG2 4.41Å; F504-T544 HydrophobicContact CG-CG2 4.01Å; F504-V547 HydrophobicContact CD2-CB 4.28Å; F504-V547 HydrophobicContact CD2-CG1 4.49Å; F504-V547 HydrophobicContact CE2-CB 3.99Å; F504-V547 HydrophobicContact CE2-CG1 3.92Å; F504-V547 HydrophobicContact CE2-CG2 4.32Å; F504-D548 PolarHBondContact N-OD2 3.19Å | ||
| 505 | S | 95 | Very high | 84.6 | Confident | 56 Ų | 56 | 48.1 Ų | 48.1 | 39% | 0.392 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.8 | -37 | 176 | 64.7 | 0 | 0 | 0 | 0 | 112.3 | D503 R508 L509 | D503-S505 VanDerWaalsContact CG-OG 3.27Å; D503-S505 WeakPolarHBondContact OD1-CB 3.24Å; D503-S505 PolarHBondContact OD1-N 2.97Å; D503-S505 PolarHBondContact OD1-OG 3.34Å; D503-S505 PolarHBondContact OD2-OG 3.45Å; D503-S505 VanDerWaalsContact OD2-OG 3.13Å; S505-R508 PolarHBondContact O-N 3.27Å; S505-L509 PolarHBondContact O-N 3.01Å |
| 506 | G | 94.4 | Very high | 85.8 | Confident | 38 Ų | 38 | 46 Ų | 46 | 39% | 0.392 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59 | -49.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F504 R508 L509 D510 | F504-G506 PolarHBondContact O-N 3.26Å; G506-R508 VanDerWaalsContact C-N 3.31Å; G506-R508 PolarHBondContact O-N 3.29Å; G506-L509 PolarHBondContact O-N 3.1Å; G506-D510 WeakPolarHBondContact O-CB 3.46Å; G506-D510 PolarHBondContact O-N 3.19Å |
| 507 | I | 96.9 | Very high | 87.1 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.8 | -42.3 | 177.6 | -66.1 | -175.3 | 0 | 0 | 0 | 110.9 | I476 Q479 L480 F504 D510 W511 I541 | I476-I507 HydrophobicContact CD1-CG2 4.44Å; I476-I507 HydrophobicContact CG1-CG2 4.21Å; I476-I507 HydrophobicContact CG2-CD1 4.49Å; I476-I507 HydrophobicContact CG2-CG2 3.76Å; Q479-I507 HydrophobicContact CB-CD1 4.32Å; L480-I507 HydrophobicContact CD2-CD1 4.1Å; L480-I507 HydrophobicContact CG-CD1 4.3Å; F504-I507 HydrophobicContact CD1-CD1 3.79Å; F504-I507 HydrophobicContact CE1-CD1 4.4Å; F504-I507 PolarHBondContact O-N 3.08Å; F504-I507 VanDerWaalsContact O-N 3.15Å; I507-D510 PolarHBondContact O-N 3.42Å; I507-W511 WeakPolarHBondContact O-CB 3.26Å; I507-W511 PolarHBondContact O-N 3.36Å; I507-I541 HydrophobicContact CG2-CD1 3.96Å |
| 508 | R | 95.9 | Very high | 88.6 | Confident | 37 Ų | 37 | 35.7 Ų | 35.7 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65 | -41.2 | 178.6 | -67.9 | -173 | -72 | -91.9 | 1.5 | 112.5 | F504 S505 G506 L512 I541 T544 D548 | F504-R508 PolarHBondContact O-N 2.83Å; F504-R508 VanDerWaalsContact O-N 3.1Å; S505-R508 PolarHBondContact O-N 3.27Å; G506-R508 VanDerWaalsContact C-N 3.31Å; G506-R508 PolarHBondContact O-N 3.29Å; R508-L512 PolarHBondContact O-N 2.88Å; R508-I541 HydrophobicContact CG-CD1 4.07Å; R508-I541 HydrophobicContact CG-CG2 4.25Å; R508-T544 PolarHBondContact NH1-OG1 3.32Å; R508-D548 IonicContact CZ-OD1 2.67Å; R508-D548 IonicContact CZ-OD2 2.99Å; R508-D548 IonicContact NH1-OD1 2.88Å; R508-D548 PolarHBondContact NH1-OD1 3.41Å; R508-D548 IonicContact NH1-OD2 2.67Å; R508-D548 PolarHBondContact NH1-OD2 3.43Å; R508-D548 VanDerWaalsContact NH2-CG 3.34Å; R508-D548 IonicContact NH2-OD1 3.36Å; R508-D548 PolarHBondContact NH2-OD1 3.5Å; R508-D548 IonicContact NH2-OD2 2.8Å; R508-D548 PolarHBondContact NH2-OD2 3.11Å |
| 509 | L | 94.4 | Very high | 89.9 | Confident | 59 Ų | 59 | 33.8 Ų | 33.8 | 31% | 0.309 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.6 | -40.9 | 176.3 | -179.7 | 60.3 | 0 | 0 | 0 | 111.7 | S505 G506 L512 R513 | S505-L509 PolarHBondContact O-N 3.01Å; G506-L509 PolarHBondContact O-N 3.1Å; L509-L512 HydrophobicContact CD1-CD2 4.49Å; L509-L512 WeakPolarHBondContact O-CB 3.25Å; L509-L512 PolarHBondContact O-N 2.99Å; L509-R513 WeakPolarHBondContact O-CG 3.43Å; L509-R513 PolarHBondContact O-N 3.37Å |
| 510 | D | 95.8 | Very high | 91.3 | Very high | 28 Ų | 28 | 33.5 Ų | 33.5 | 15% | 0.15 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.3 | -38.4 | 176.9 | -85.1 | -7.9 | 0 | 0 | 0 | 112.2 | I472 I476 G506 I507 R513 L514 | I472-D510 HydrophobicContact CG2-CB 3.59Å; I476-D510 HydrophobicContact CD1-CB 4.15Å; G506-D510 WeakPolarHBondContact O-CB 3.46Å; G506-D510 PolarHBondContact O-N 3.19Å; I507-D510 PolarHBondContact O-N 3.42Å; D510-R513 WeakPolarHBondContact O-CB 3.39Å; D510-R513 PolarHBondContact O-N 2.93Å; D510-R513 IonicContact OD1-CZ 2.7Å; D510-R513 IonicContact OD1-NH1 3.16Å; D510-R513 PolarHBondContact OD1-NH1 3.48Å; D510-L514 WeakPolarHBondContact O-CG 3.32Å; D510-L514 PolarHBondContact O-N 3.31Å |
| 511 | W | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 171.3 | -177.9 | -131.9 | 0 | 0 | 0 | 112.2 | F473 I507 R513 L514 Q515 L527 I537 N538 I541 | F473-W511 HydrophobicContact CE1-CZ3 4.06Å; F473-W511 HydrophobicContact CZ-CZ3 4.33Å; I507-W511 WeakPolarHBondContact O-CB 3.26Å; I507-W511 PolarHBondContact O-N 3.36Å; W511-R513 VanDerWaalsContact C-N 3.3Å; W511-R513 PolarHBondContact O-N 3.01Å; W511-L514 HydrophobicContact CE3-CB 3.85Å; W511-L514 HydrophobicContact CE3-CD1 4.01Å; W511-L514 HydrophobicContact CZ3-CB 4.01Å; W511-L514 HydrophobicContact CZ3-CD1 4.35Å; W511-L514 PolarHBondContact O-N 2.83Å; W511-Q515 HydrophobicContact CD2-CG 4.1Å; W511-Q515 HydrophobicContact CH2-CG 4.23Å; W511-Q515 HydrophobicContact CZ2-CG 3.78Å; W511-Q515 WeakPolarHBondContact O-CG 3.29Å; W511-Q515 PolarHBondContact O-N 3.41Å; W511-L527 HydrophobicContact CH2-CD1 3.99Å; W511-L527 HydrophobicContact CH2-CD2 3.94Å; W511-L527 HydrophobicContact CZ3-CD2 4.31Å; W511-I537 HydrophobicContact CD2-CD1 3.73Å; W511-I537 HydrophobicContact CD2-CG1 4.1Å; W511-I537 HydrophobicContact CD2-CG2 4.13Å; W511-I537 HydrophobicContact CE3-CD1 3.47Å; W511-I537 VanDerWaalsContact CE3-CD1 3.47Å; W511-I537 HydrophobicContact CE3-CG1 4.32Å; W511-I537 HydrophobicContact CE3-CG2 4.33Å; W511-I537 HydrophobicContact CG-CD1 4.31Å; W511-I537 HydrophobicContact CG-CG1 4.47Å; W511-I537 HydrophobicContact CH2-CD1 4.44Å; W511-I537 HydrophobicContact CH2-CG2 3.53Å; W511-I537 HydrophobicContact CZ2-CG2 3.23Å; W511-I537 HydrophobicContact CZ3-CD1 3.87Å; W511-I537 HydrophobicContact CZ3-CG2 4.06Å; W511-N538 PolarHBondContact NE1-OD1 3.46Å; W511-I541 HydrophobicContact CB-CD1 3.89Å; W511-I541 HydrophobicContact CB-CG1 4.43Å; W511-I541 HydrophobicContact CG-CD1 4.14Å; W511-I541 HydrophobicContact CG-CG1 4.13Å |
| 512 | L | 95.2 | Very high | 92.8 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.7 | -39 | 174.6 | -179.8 | 66 | 0 | 0 | 0 | 112 | A9 D125 V126 I129 R508 L509 Q515 A516 | A9-L512 HydrophobicContact CB-CD2 4.1Å; A9-L512 HydrophobicContact CB-CG 3.81Å; D125-L512 HydrophobicContact CB-CD1 3.64Å; V126-L512 HydrophobicContact CG2-CD1 3.72Å; I129-L512 HydrophobicContact CD1-CD1 3.97Å; I129-L512 HydrophobicContact CD1-CD2 4.1Å; R508-L512 PolarHBondContact O-N 2.88Å; L509-L512 HydrophobicContact CD1-CD2 4.49Å; L509-L512 WeakPolarHBondContact O-CB 3.25Å; L509-L512 PolarHBondContact O-N 2.99Å; L512-Q515 PolarHBondContact O-N 3.44Å; L512-A516 PolarHBondContact O-N 3.21Å |
| 513 | R | 93.8 | Very high | 92.8 | Very high | 74 Ų | 74 | 33.1 Ų | 33.1 | 28% | 0.279 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 174.4 | -71.8 | 167.4 | 172.9 | 156.4 | -1.2 | 111.8 | A9 E10 L509 D510 W511 A516 C517 | A9-R513 HydrophobicContact CB-CB 4.48Å; A9-R513 HydrophobicContact CB-CG 3.9Å; E10-R513 IonicContact OE1-CZ 3.89Å; E10-R513 IonicContact OE1-NE 2.72Å; E10-R513 PolarHBondContact OE1-NE 3.09Å; E10-R513 IonicContact OE1-NH2 2.68Å; E10-R513 PolarHBondContact OE1-NH2 3.37Å; L509-R513 WeakPolarHBondContact O-CG 3.43Å; L509-R513 PolarHBondContact O-N 3.37Å; D510-R513 WeakPolarHBondContact O-CB 3.39Å; D510-R513 PolarHBondContact O-N 2.93Å; D510-R513 IonicContact OD1-CZ 2.7Å; D510-R513 IonicContact OD1-NH1 3.16Å; D510-R513 PolarHBondContact OD1-NH1 3.48Å; W511-R513 VanDerWaalsContact C-N 3.3Å; W511-R513 PolarHBondContact O-N 3.01Å; R513-A516 PolarHBondContact O-N 3.05Å; R513-C517 PolarHBondContact O-N 3.08Å; R513-C517 PolarHBondContact O-SG 2.9Å |
| 514 | L | 94.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 176.7 | -74.3 | 172.8 | 0 | 0 | 0 | 111.6 | E469 I472 F473 I476 D510 W511 A516 C517 L518 | E469-L514 HydrophobicContact CB-CD2 3.93Å; E469-L514 HydrophobicContact CG-CD2 4.02Å; I472-L514 HydrophobicContact CB-CD1 4.17Å; I472-L514 HydrophobicContact CB-CD2 4.18Å; I472-L514 HydrophobicContact CB-CG 4.23Å; I472-L514 HydrophobicContact CD1-CD2 4.36Å; I472-L514 HydrophobicContact CG2-CD1 3.55Å; I472-L514 HydrophobicContact CG2-CD2 4.31Å; I472-L514 HydrophobicContact CG2-CG 3.8Å; F473-L514 HydrophobicContact CD1-CD1 3.75Å; F473-L514 HydrophobicContact CD2-CD1 4.18Å; F473-L514 HydrophobicContact CD2-CD2 4.12Å; F473-L514 HydrophobicContact CE1-CD1 3.67Å; F473-L514 HydrophobicContact CE2-CD1 4.12Å; F473-L514 HydrophobicContact CE2-CD2 3.9Å; F473-L514 HydrophobicContact CG-CD1 4.01Å; F473-L514 HydrophobicContact CZ-CD1 3.86Å; F473-L514 HydrophobicContact CZ-CD2 4.29Å; I476-L514 HydrophobicContact CD1-CD1 4.24Å; D510-L514 WeakPolarHBondContact O-CG 3.32Å; D510-L514 PolarHBondContact O-N 3.31Å; W511-L514 HydrophobicContact CE3-CB 3.85Å; W511-L514 HydrophobicContact CE3-CD1 4.01Å; W511-L514 HydrophobicContact CZ3-CB 4.01Å; W511-L514 HydrophobicContact CZ3-CD1 4.35Å; W511-L514 PolarHBondContact O-N 2.83Å; L514-A516 VanDerWaalsContact C-N 3.33Å; L514-A516 PolarHBondContact O-N 3.25Å; L514-C517 PolarHBondContact O-N 2.75Å; L514-L518 HydrophobicContact CB-CD1 4.49Å; L514-L518 HydrophobicContact CD2-CD1 4.29Å; L514-L518 WeakPolarHBondContact O-CB 3.46Å; L514-L518 WeakPolarHBondContact O-CG 3.29Å; L514-L518 PolarHBondContact O-N 3.25Å |
| 515 | Q | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.8 | -47.3 | 173.6 | -73.8 | -179.3 | 39.7 | 0 | 0 | 111.6 | N123 D125 V126 W511 L512 C517 S519 L527 | N123-Q515 HydrophobicContact CB-CB 4.13Å; N123-Q515 HydrophobicContact CB-CG 4.25Å; N123-Q515 PolarHBondContact O-OE1 3.46Å; D125-Q515 PolarHBondContact OD2-NE2 3.34Å; V126-Q515 HydrophobicContact CB-CB 4.47Å; V126-Q515 HydrophobicContact CG2-CB 3.51Å; V126-Q515 VanDerWaalsContact N-OE1 3.1Å; W511-Q515 HydrophobicContact CD2-CG 4.1Å; W511-Q515 HydrophobicContact CH2-CG 4.23Å; W511-Q515 HydrophobicContact CZ2-CG 3.78Å; W511-Q515 WeakPolarHBondContact O-CG 3.29Å; W511-Q515 PolarHBondContact O-N 3.41Å; L512-Q515 PolarHBondContact O-N 3.44Å; Q515-C517 PolarHBondContact O-N 3.07Å; Q515-S519 WeakPolarHBondContact O-CB 3.32Å; Q515-S519 PolarHBondContact O-N 3.45Å; Q515-S519 PolarHBondContact O-OG 3.14Å; Q515-L527 HydrophobicContact CB-CD1 4.49Å; Q515-L527 HydrophobicContact CG-CD1 4.3Å |
| 516 | A | 92 | Very high | 91.9 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L8 A9 V126 L512 R513 L514 C520 | L8-A516 HydrophobicContact CB-CB 4.41Å; A9-A516 HydrophobicContact CB-CB 4.34Å; V126-A516 HydrophobicContact CG2-CB 4.16Å; L512-A516 PolarHBondContact O-N 3.21Å; R513-A516 PolarHBondContact O-N 3.05Å; L514-A516 VanDerWaalsContact C-N 3.33Å; L514-A516 PolarHBondContact O-N 3.25Å; A516-C520 PolarHBondContact O-SG 3.15Å |
| 517 | C | 90.2 | Very high | 91.8 | Very high | 11 Ų | 11 | 28.9 Ų | 28.9 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -74.8 | -48.9 | -176.3 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | I4 R513 L514 Q515 S519 C520 S523 | I4-C517 WeakPolarHBondContact CG1-SG 3.22Å; R513-C517 PolarHBondContact O-N 3.08Å; R513-C517 PolarHBondContact O-SG 2.9Å; L514-C517 PolarHBondContact O-N 2.75Å; Q515-C517 PolarHBondContact O-N 3.07Å; C517-S519 PolarHBondContact O-N 3.35Å; C517-C520 PolarHBondContact O-N 3.06Å; C517-S523 WeakPolarHBondContact O-CB 3.45Å |
| 518 | L | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -80.6 | 2.1 | -174.4 | -61.5 | 174.4 | 0 | 0 | 0 | 114.1 | I461 V465 E469 F473 L514 L527 | I461-L518 HydrophobicContact CD1-CD1 4.3Å; V465-L518 HydrophobicContact CG1-CD1 4.46Å; V465-L518 HydrophobicContact CG1-CD2 3.88Å; E469-L518 HydrophobicContact CG-CD2 4.33Å; F473-L518 HydrophobicContact CE2-CD1 3.75Å; F473-L518 HydrophobicContact CZ-CD1 3.83Å; L514-L518 HydrophobicContact CB-CD1 4.49Å; L514-L518 HydrophobicContact CD2-CD1 4.29Å; L514-L518 WeakPolarHBondContact O-CB 3.46Å; L514-L518 WeakPolarHBondContact O-CG 3.29Å; L514-L518 PolarHBondContact O-N 3.25Å; L518-L527 HydrophobicContact CB-CD1 4.12Å; L518-L527 HydrophobicContact CB-CD2 4.2Å; L518-L527 HydrophobicContact CB-CG 3.67Å; L518-L527 HydrophobicContact CD1-CD2 3.76Å; L518-L527 HydrophobicContact CD1-CG 4.19Å; L518-L527 PolarHBondContact O-N 3.39Å |
| 519 | S | 92.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -5.3 | 174.6 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | I116 T117 N123 Q515 C517 | I116-S519 WeakPolarHBondContact CA-O 3.3Å; T117-S519 PolarHBondContact N-O 3.22Å; T117-S519 PolarHBondContact OG1-O 2.98Å; N123-S519 WeakPolarHBondContact CB-OG 3.31Å; N123-S519 VanDerWaalsContact ND2-CB 3.29Å; N123-S519 WeakPolarHBondContact ND2-CB 3.45Å; N123-S519 PolarHBondContact ND2-OG 3.39Å; Q515-S519 WeakPolarHBondContact O-CB 3.32Å; Q515-S519 PolarHBondContact O-N 3.45Å; Q515-S519 PolarHBondContact O-OG 3.14Å; C517-S519 PolarHBondContact O-N 3.35Å |
| 520 | C | 90.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -91.5 | 148.6 | -178.1 | -66.3 | 0 | 0 | 0 | 0 | 111.3 | L3 A516 C517 A522 S523 | L3-C520 HydrophobicContact CD2-CB 3.4Å; L3-C520 WeakPolarHBondContact CD2-SG 3.44Å; A516-C520 PolarHBondContact O-SG 3.15Å; C517-C520 PolarHBondContact O-N 3.06Å; C520-A522 PolarHBondContact O-N 3.21Å; C520-A522 VanDerWaalsContact O-N 3.11Å; C520-S523 WeakPolarHBondContact O-CB 3.47Å; C520-S523 PolarHBondContact O-N 2.99Å; C520-S523 PolarHBondContact O-OG 3.06Å |
| 521 | E | 86.3 | Confident | 91.2 | Very high | 130 Ų | 130 | 36.9 Ų | 36.9 | 61% | 0.607 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.1 | -174.8 | -171.6 | -168.4 | -123.1 | 0 | 0 | 113.2 | S114 K115 S523 | S114-E521 PolarHBondContact O-N 3.34Å; K115-E521 HydrophobicContact CB-CB 3.88Å; K115-E521 HydrophobicContact CD-CB 4.16Å; K115-E521 HydrophobicContact CD-CG 4.33Å; K115-E521 WeakPolarHBondContact CD-OE1 3.41Å; K115-E521 WeakPolarHBondContact CD-OE2 3.32Å; K115-E521 WeakPolarHBondContact CE-OE2 3.34Å; K115-E521 IonicContact NZ-OE1 3.75Å; K115-E521 PolarHBondContact NZ-OE1 2.76Å; K115-E521 IonicContact NZ-OE2 2.73Å; K115-E521 PolarHBondContact NZ-OE2 2.95Å; E521-S523 VanDerWaalsContact C-N 3.29Å; E521-S523 PolarHBondContact O-N 2.73Å |
| 522 | A | 84.7 | Confident | 91 | Very high | 86 Ų | 86 | 45.7 Ų | 45.7 | 71% | 0.711 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | C520 | C520-A522 PolarHBondContact O-N 3.21Å; C520-A522 VanDerWaalsContact O-N 3.11Å |
| 523 | S | 86.4 | Confident | 91 | Very high | 30 Ų | 30 | 45.4 Ų | 45.4 | 21% | 0.21 | 25% | 0.251 | C | S | . | . | trans | -72 | 144.3 | 178 | 66.7 | 0 | 0 | 0 | 0 | 111.1 | C517 C520 E521 A525 | C517-S523 WeakPolarHBondContact O-CB 3.45Å; C520-S523 WeakPolarHBondContact O-CB 3.47Å; C520-S523 PolarHBondContact O-N 2.99Å; C520-S523 PolarHBondContact O-OG 3.06Å; E521-S523 VanDerWaalsContact C-N 3.29Å; E521-S523 PolarHBondContact O-N 2.73Å; S523-A525 WeakPolarHBondContact CB-O 3.43Å; S523-A525 PolarHBondContact O-N 2.89Å; S523-A525 PolarHBondContact OG-O 3.22Å | ||
| 524 | A | 84.2 | Confident | 91 | Very high | 85 Ų | 85 | 41.9 Ų | 41.9 | 70% | 0.702 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -71.8 | -22.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H464 | H464-A524 CarbonylContact O-C 3.59Å; H464-A524 WeakPolarHBondContact O-CB 3.17Å |
| 525 | A | 88.6 | Confident | 91 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -131 | 146.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110 | I461 H464 V465 S523 Y530 | I461-A525 HydrophobicContact CD1-CB 4.42Å; I461-A525 HydrophobicContact CG1-CB 4.25Å; H464-A525 HydrophobicContact CB-CB 3.95Å; V465-A525 HydrophobicContact CG1-CB 3.92Å; S523-A525 WeakPolarHBondContact CB-O 3.43Å; S523-A525 PolarHBondContact O-N 2.89Å; S523-A525 PolarHBondContact OG-O 3.22Å; A525-Y530 HydrophobicContact CB-CE2 4.12Å |
| 526 | S | 90.9 | Very high | 91 | Very high | 39 Ų | 39 | 44 Ų | 44 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | trans | -107.9 | 132.7 | 172.8 | -171.7 | 0 | 0 | 0 | 0 | 110.5 | G528 D529 Y530 | S526-G528 PolarHBondContact O-N 3.3Å; S526-G528 VanDerWaalsContact O-N 3.15Å; S526-D529 PolarHBondContact O-N 2.92Å; S526-D529 VanDerWaalsContact O-N 3.12Å; S526-Y530 VanDerWaalsContact O-CD2 3.29Å; S526-Y530 WeakPolarHBondContact O-CD2 3.24Å | ||
| 527 | L | 91.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -57.5 | -29.4 | 176 | -73 | 175.7 | 0 | 0 | 0 | 113.2 | V122 I461 W511 Q515 L518 D529 Y530 V534 | V122-L527 HydrophobicContact CG1-CB 3.6Å; I461-L527 HydrophobicContact CD1-CD2 4.4Å; W511-L527 HydrophobicContact CH2-CD1 3.99Å; W511-L527 HydrophobicContact CH2-CD2 3.94Å; W511-L527 HydrophobicContact CZ3-CD2 4.31Å; Q515-L527 HydrophobicContact CB-CD1 4.49Å; Q515-L527 HydrophobicContact CG-CD1 4.3Å; L518-L527 HydrophobicContact CB-CD1 4.12Å; L518-L527 HydrophobicContact CB-CD2 4.2Å; L518-L527 HydrophobicContact CB-CG 3.67Å; L518-L527 HydrophobicContact CD1-CD2 3.76Å; L518-L527 HydrophobicContact CD1-CG 4.19Å; L518-L527 PolarHBondContact O-N 3.39Å; L527-D529 PolarHBondContact O-N 3.45Å; L527-Y530 PolarHBondContact O-N 3.21Å; L527-Y530 VanDerWaalsContact O-N 3.1Å; L527-V534 HydrophobicContact CB-CG2 3.98Å; L527-V534 HydrophobicContact CD2-CG2 4.18Å; L527-V534 WeakPolarHBondContact O-CG2 3.47Å |
| 528 | G | 88.9 | Confident | 91.3 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 39% | 0.392 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -61.1 | -28.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S526 Y530 | S526-G528 PolarHBondContact O-N 3.3Å; S526-G528 VanDerWaalsContact O-N 3.15Å; G528-Y530 VanDerWaalsContact C-N 3.3Å |
| 529 | D | 93.5 | Very high | 91.3 | Very high | 130 Ų | 130 | 45.4 Ų | 45.4 | 70% | 0.695 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -79 | -15.5 | -179.9 | -59.5 | -35.6 | 0 | 0 | 0 | 112.3 | S526 L527 | S526-D529 PolarHBondContact O-N 2.92Å; S526-D529 VanDerWaalsContact O-N 3.12Å; L527-D529 PolarHBondContact O-N 3.45Å |
| 530 | Y | 94.9 | Very high | 91.4 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 17% | 0.165 | 25% | 0.254 | C | S | . | . | trans | -114.5 | 53.5 | -177.2 | -58.8 | -87.5 | 0 | 0 | 0 | 111.4 | D460 I461 H464 A525 S526 L527 G528 R532 L533 V534 | D460-Y530 HydrophobicContact CB-CD1 4.28Å; D460-Y530 HydrophobicContact CB-CE1 4.23Å; I461-Y530 HydrophobicContact CB-CD1 3.88Å; I461-Y530 HydrophobicContact CB-CD2 4.34Å; I461-Y530 HydrophobicContact CB-CE1 3.83Å; I461-Y530 HydrophobicContact CB-CE2 4.32Å; I461-Y530 HydrophobicContact CB-CG 4.13Å; I461-Y530 HydrophobicContact CD1-CD2 3.6Å; I461-Y530 HydrophobicContact CD1-CE2 3.89Å; I461-Y530 HydrophobicContact CD1-CG 3.99Å; I461-Y530 HydrophobicContact CG1-CD1 4.31Å; I461-Y530 HydrophobicContact CG1-CD2 3.89Å; I461-Y530 HydrophobicContact CG1-CE1 4.16Å; I461-Y530 HydrophobicContact CG1-CE2 3.73Å; I461-Y530 HydrophobicContact CG1-CG 4.18Å; H464-Y530 VanDerWaalsContact CG-OH 3.32Å; H464-Y530 PolarHBondContact ND1-OH 3.39Å; H464-Y530 VanDerWaalsContact ND1-OH 3.08Å; A525-Y530 HydrophobicContact CB-CE2 4.12Å; S526-Y530 VanDerWaalsContact O-CD2 3.29Å; S526-Y530 WeakPolarHBondContact O-CD2 3.24Å; L527-Y530 PolarHBondContact O-N 3.21Å; L527-Y530 VanDerWaalsContact O-N 3.1Å; G528-Y530 VanDerWaalsContact C-N 3.3Å; Y530-R532 VanDerWaalsContact C-N 3.33Å; Y530-R532 PolarHBondContact O-N 3.44Å; Y530-L533 WeakPolarHBondContact O-CB 3.44Å; Y530-L533 PolarHBondContact O-N 3.19Å; Y530-L533 VanDerWaalsContact O-N 3.1Å; Y530-V534 WeakPolarHBondContact O-CG2 3.4Å; Y530-V534 PolarHBondContact O-N 3.36Å; Y530-V534 VanDerWaalsContact O-N 3.14Å | ||
| 531 | R | 92.9 | Very high | 91.7 | Very high | 84 Ų | 84 | 45.5 Ų | 45.5 | 32% | 0.317 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -52.1 | -44 | -172.2 | -170.6 | 69.3 | -179.7 | -178.6 | -5 | 114.2 | T121 L533 V534 E535 | T121-R531 PolarHBondContact O-NH1 3.28Å; T121-R531 PolarHBondContact OG1-NH1 2.89Å; R531-L533 PolarHBondContact O-N 3.24Å; R531-V534 PolarHBondContact O-N 2.97Å; R531-E535 WeakPolarHBondContact CD-OE1 3.14Å; R531-E535 HydrophobicContact CG-CG 4.41Å; R531-E535 VanDerWaalsContact CG-OE1 3.25Å; R531-E535 WeakPolarHBondContact CG-OE1 3.47Å; R531-E535 IonicContact CZ-OE1 3.98Å; R531-E535 IonicContact NE-OE1 3.53Å; R531-E535 PolarHBondContact NE-OE1 3.32Å; R531-E535 IonicContact NH2-OE1 3.03Å; R531-E535 WeakPolarHBondContact O-CG 3.5Å; R531-E535 PolarHBondContact O-N 3.29Å |
| 532 | R | 93 | Very high | 92.1 | Very high | 185 Ų | 185 | 39.7 Ų | 39.7 | 70% | 0.698 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.4 | -43.2 | 179.4 | -68 | -178.1 | 178 | 178.2 | -1.3 | 112.8 | Y530 V534 H536 | Y530-R532 VanDerWaalsContact C-N 3.33Å; Y530-R532 PolarHBondContact O-N 3.44Å; R532-V534 VanDerWaalsContact C-N 3.29Å; R532-V534 PolarHBondContact O-N 3.25Å; R532-H536 VanDerWaalsContact O-CB 3.27Å; R532-H536 WeakPolarHBondContact O-CB 3.05Å; R532-H536 PolarHBondContact O-N 2.91Å |
| 533 | L | 95.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 175.4 | 171.8 | 62.7 | 0 | 0 | 0 | 110.3 | L454 V458 I461 F473 Y530 R531 H536 I537 | L454-L533 HydrophobicContact CD1-CD1 3.53Å; V458-L533 HydrophobicContact CG2-CD1 3.71Å; I461-L533 HydrophobicContact CB-CD2 4.12Å; I461-L533 HydrophobicContact CD1-CD2 4.07Å; I461-L533 HydrophobicContact CG2-CD2 3.55Å; F473-L533 HydrophobicContact CE1-CD2 4.07Å; F473-L533 HydrophobicContact CZ-CD2 4.18Å; Y530-L533 WeakPolarHBondContact O-CB 3.44Å; Y530-L533 PolarHBondContact O-N 3.19Å; Y530-L533 VanDerWaalsContact O-N 3.1Å; R531-L533 PolarHBondContact O-N 3.24Å; L533-H536 PolarHBondContact O-N 2.98Å; L533-I537 WeakPolarHBondContact O-CB 3.31Å; L533-I537 VanDerWaalsContact O-CG2 3.25Å; L533-I537 WeakPolarHBondContact O-CG2 3.25Å; L533-I537 PolarHBondContact O-N 2.97Å |
| 534 | V | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.4 | -46 | -177.6 | 173.8 | 0 | 0 | 0 | 0 | 112.4 | V122 L527 Y530 R531 R532 H536 I537 N538 | V122-V534 HydrophobicContact CG1-CG1 4.31Å; V122-V534 HydrophobicContact CG1-CG2 4.38Å; V122-V534 WeakPolarHBondContact O-CG1 3.38Å; L527-V534 HydrophobicContact CB-CG2 3.98Å; L527-V534 HydrophobicContact CD2-CG2 4.18Å; L527-V534 WeakPolarHBondContact O-CG2 3.47Å; Y530-V534 WeakPolarHBondContact O-CG2 3.4Å; Y530-V534 PolarHBondContact O-N 3.36Å; Y530-V534 VanDerWaalsContact O-N 3.14Å; R531-V534 PolarHBondContact O-N 2.97Å; R532-V534 VanDerWaalsContact C-N 3.29Å; R532-V534 PolarHBondContact O-N 3.25Å; V534-H536 VanDerWaalsContact C-N 3.34Å; V534-I537 WeakPolarHBondContact O-CG2 3.17Å; V534-N538 VanDerWaalsContact O-CB 3.27Å; V534-N538 WeakPolarHBondContact O-CB 3.27Å; V534-N538 PolarHBondContact O-N 3.4Å; V534-N538 PolarHBondContact O-ND2 3.06Å; V534-N538 VanDerWaalsContact O-ND2 3.13Å |
| 535 | E | 93.1 | Very high | 93.7 | Very high | 31 Ų | 31 | 31.7 Ų | 31.7 | 15% | 0.145 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 177.5 | -69.8 | 167.9 | 173.6 | 0 | 0 | 111.3 | E244 R531 S539 | E244-E535 HydrophobicContact CB-CB 4.15Å; E244-E535 HydrophobicContact CB-CG 3.91Å; E244-E535 HydrophobicContact CG-CB 4.31Å; E244-E535 HydrophobicContact CG-CG 4.21Å; R531-E535 WeakPolarHBondContact CD-OE1 3.14Å; R531-E535 HydrophobicContact CG-CG 4.41Å; R531-E535 VanDerWaalsContact CG-OE1 3.25Å; R531-E535 WeakPolarHBondContact CG-OE1 3.47Å; R531-E535 IonicContact CZ-OE1 3.98Å; R531-E535 IonicContact NE-OE1 3.53Å; R531-E535 PolarHBondContact NE-OE1 3.32Å; R531-E535 IonicContact NH2-OE1 3.03Å; R531-E535 WeakPolarHBondContact O-CG 3.5Å; R531-E535 PolarHBondContact O-N 3.29Å; E535-S539 PolarHBondContact O-N 3.47Å; E535-S539 PolarHBondContact O-OG 3.29Å |
| 536 | H | 94.7 | Very high | 94 | Very high | 15 Ų | 15 | 31.4 Ų | 31.4 | 7% | 0.069 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.9 | -52.5 | 178.1 | -168.1 | 81 | 0 | 0 | 0 | 111.7 | D450 L454 Y457 R532 L533 V534 N538 S539 T540 | D450-H536 PolarHBondContact O-NE2 2.92Å; L454-H536 PolarHBondContact N-CD2 2.92Å; L454-H536 PolarHBondContact N-NE2 3.43Å; Y457-H536 HydrophobicContact CD2-CB 3.72Å; Y457-H536 AromaticContact CD2-CG 3.85Å; Y457-H536 HydrophobicContact CE2-CB 3.86Å; Y457-H536 AromaticContact CE2-CG 3.82Å; Y457-H536 AromaticContact CE2-ND1 3.87Å; R532-H536 VanDerWaalsContact O-CB 3.27Å; R532-H536 WeakPolarHBondContact O-CB 3.05Å; R532-H536 PolarHBondContact O-N 2.91Å; L533-H536 PolarHBondContact O-N 2.98Å; V534-H536 VanDerWaalsContact C-N 3.34Å; H536-N538 VanDerWaalsContact C-N 3.33Å; H536-N538 PolarHBondContact O-N 3Å; H536-S539 WeakPolarHBondContact O-CB 3.4Å; H536-S539 PolarHBondContact O-N 2.64Å; H536-S539 VanDerWaalsContact O-N 3.11Å; H536-T540 PolarHBondContact O-N 3.21Å; H536-T540 PolarHBondContact O-OG1 3.43Å |
| 537 | I | 95.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.2 | -34 | -178.3 | -163.1 | 164.4 | 0 | 0 | 0 | 112.3 | L454 W511 L533 V534 S539 T540 I541 | L454-I537 HydrophobicContact CD1-CB 4.05Å; L454-I537 HydrophobicContact CD1-CD1 4.03Å; L454-I537 HydrophobicContact CD1-CG1 4.2Å; L454-I537 HydrophobicContact CD2-CD1 4.37Å; W511-I537 HydrophobicContact CD2-CD1 3.73Å; W511-I537 HydrophobicContact CD2-CG1 4.1Å; W511-I537 HydrophobicContact CD2-CG2 4.13Å; W511-I537 HydrophobicContact CE3-CD1 3.47Å; W511-I537 VanDerWaalsContact CE3-CD1 3.47Å; W511-I537 HydrophobicContact CE3-CG1 4.32Å; W511-I537 HydrophobicContact CE3-CG2 4.33Å; W511-I537 HydrophobicContact CG-CD1 4.31Å; W511-I537 HydrophobicContact CG-CG1 4.47Å; W511-I537 HydrophobicContact CH2-CD1 4.44Å; W511-I537 HydrophobicContact CH2-CG2 3.53Å; W511-I537 HydrophobicContact CZ2-CG2 3.23Å; W511-I537 HydrophobicContact CZ3-CD1 3.87Å; W511-I537 HydrophobicContact CZ3-CG2 4.06Å; L533-I537 WeakPolarHBondContact O-CB 3.31Å; L533-I537 VanDerWaalsContact O-CG2 3.25Å; L533-I537 WeakPolarHBondContact O-CG2 3.25Å; L533-I537 PolarHBondContact O-N 2.97Å; V534-I537 WeakPolarHBondContact O-CG2 3.17Å; I537-S539 VanDerWaalsContact C-N 3.29Å; I537-S539 PolarHBondContact O-N 3.43Å; I537-T540 WeakPolarHBondContact O-CB 3.3Å; I537-T540 PolarHBondContact O-N 2.97Å; I537-I541 HydrophobicContact CG1-CG1 4.36Å; I537-I541 WeakPolarHBondContact O-CB 3.37Å; I537-I541 WeakPolarHBondContact O-CG1 3.47Å; I537-I541 PolarHBondContact O-N 2.95Å |
| 538 | N | 92.8 | Very high | 94.2 | Very high | 24 Ų | 24 | 31.7 Ų | 31.7 | 13% | 0.128 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -37.5 | 174.3 | -76 | -25.7 | 0 | 0 | 0 | 111.7 | W511 V534 H536 L542 | W511-N538 PolarHBondContact NE1-OD1 3.46Å; V534-N538 VanDerWaalsContact O-CB 3.27Å; V534-N538 WeakPolarHBondContact O-CB 3.27Å; V534-N538 PolarHBondContact O-N 3.4Å; V534-N538 PolarHBondContact O-ND2 3.06Å; V534-N538 VanDerWaalsContact O-ND2 3.13Å; H536-N538 VanDerWaalsContact C-N 3.33Å; H536-N538 PolarHBondContact O-N 3Å; N538-L542 PolarHBondContact O-N 3.36Å |
| 539 | S | 93.5 | Very high | 94.5 | Very high | 16 Ų | 16 | 33.9 Ų | 33.9 | 11% | 0.112 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.3 | -47.5 | 173.1 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | G243 E535 H536 I537 I541 L542 H543 | G243-S539 PolarHBondContact O-OG 3.39Å; G243-S539 VanDerWaalsContact O-OG 3.11Å; E535-S539 PolarHBondContact O-N 3.47Å; E535-S539 PolarHBondContact O-OG 3.29Å; H536-S539 WeakPolarHBondContact O-CB 3.4Å; H536-S539 PolarHBondContact O-N 2.64Å; H536-S539 VanDerWaalsContact O-N 3.11Å; I537-S539 VanDerWaalsContact C-N 3.29Å; I537-S539 PolarHBondContact O-N 3.43Å; S539-I541 VanDerWaalsContact C-N 3.28Å; S539-I541 PolarHBondContact O-N 3.36Å; S539-L542 WeakPolarHBondContact O-CB 3.3Å; S539-L542 PolarHBondContact O-N 3.33Å; S539-L542 VanDerWaalsContact O-N 3.09Å; S539-H543 PolarHBondContact O-CD2 3.4Å; S539-H543 VanDerWaalsContact O-CG 3.29Å; S539-H543 PolarHBondContact O-N 2.81Å |
| 540 | T | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.3 | -43.4 | 175.5 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | L446 D450 L480 H536 I537 L542 H543 T544 | L446-T540 HydrophobicContact CD2-CG2 3.85Å; D450-T540 HydrophobicContact CB-CG2 3.79Å; D450-T540 WeakPolarHBondContact CB-OG1 3.48Å; D450-T540 VanDerWaalsContact OD1-CA 3.28Å; D450-T540 WeakPolarHBondContact OD1-CA 3.44Å; D450-T540 WeakPolarHBondContact OD1-CB 3.2Å; D450-T540 PolarHBondContact OD1-OG1 2.94Å; L480-T540 HydrophobicContact CD1-CG2 3.47Å; L480-T540 VanDerWaalsContact CD1-CG2 3.47Å; H536-T540 PolarHBondContact O-N 3.21Å; H536-T540 PolarHBondContact O-OG1 3.43Å; I537-T540 WeakPolarHBondContact O-CB 3.3Å; I537-T540 PolarHBondContact O-N 2.97Å; T540-L542 VanDerWaalsContact C-N 3.34Å; T540-L542 PolarHBondContact O-N 3.02Å; T540-H543 CarbonylContact O-C 3.4Å; T540-H543 WeakPolarHBondContact O-CA 3.13Å; T540-H543 WeakPolarHBondContact O-CB 3.35Å; T540-H543 PolarHBondContact O-N 3.49Å; T540-H543 VanDerWaalsContact O-N 3.1Å; T540-T544 WeakPolarHBondContact O-CG2 3.25Å; T540-T544 PolarHBondContact O-N 3.3Å |
| 541 | I | 95.7 | Very high | 94.4 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.036 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.1 | -39.3 | 178.9 | -69.1 | -73.6 | 0 | 0 | 0 | 111.5 | I507 R508 W511 I537 S539 H543 T544 K545 | I507-I541 HydrophobicContact CG2-CD1 3.96Å; R508-I541 HydrophobicContact CG-CD1 4.07Å; R508-I541 HydrophobicContact CG-CG2 4.25Å; W511-I541 HydrophobicContact CB-CD1 3.89Å; W511-I541 HydrophobicContact CB-CG1 4.43Å; W511-I541 HydrophobicContact CG-CD1 4.14Å; W511-I541 HydrophobicContact CG-CG1 4.13Å; I537-I541 HydrophobicContact CG1-CG1 4.36Å; I537-I541 WeakPolarHBondContact O-CB 3.37Å; I537-I541 WeakPolarHBondContact O-CG1 3.47Å; I537-I541 PolarHBondContact O-N 2.95Å; S539-I541 VanDerWaalsContact C-N 3.28Å; S539-I541 PolarHBondContact O-N 3.36Å; I541-H543 VanDerWaalsContact C-N 3.35Å; I541-T544 PolarHBondContact O-N 3.49Å; I541-T544 PolarHBondContact O-OG1 2.83Å; I541-K545 PolarHBondContact O-N 3.37Å |
| 542 | L | 95.4 | Very high | 94.5 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 5% | 0.047 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 171.5 | 177.9 | 64.7 | 0 | 0 | 0 | 111.5 | L246 L250 F369 N538 S539 T540 T544 K545 L546 | L246-L542 HydrophobicContact CB-CD2 3.42Å; L246-L542 VanDerWaalsContact CB-CD2 3.42Å; L246-L542 HydrophobicContact CD1-CD2 4.19Å; L246-L542 HydrophobicContact CG-CD2 4.47Å; L250-L542 HydrophobicContact CD1-CD1 4Å; F369-L542 HydrophobicContact CD2-CD2 3.79Å; F369-L542 HydrophobicContact CE2-CD2 3.83Å; N538-L542 PolarHBondContact O-N 3.36Å; S539-L542 WeakPolarHBondContact O-CB 3.3Å; S539-L542 PolarHBondContact O-N 3.33Å; S539-L542 VanDerWaalsContact O-N 3.09Å; T540-L542 VanDerWaalsContact C-N 3.34Å; T540-L542 PolarHBondContact O-N 3.02Å; L542-T544 VanDerWaalsContact C-N 3.32Å; L542-T544 PolarHBondContact O-N 2.92Å; L542-K545 WeakPolarHBondContact O-CB 3.38Å; L542-K545 PolarHBondContact O-N 2.82Å; L542-K545 VanDerWaalsContact O-N 3.11Å; L542-L546 PolarHBondContact O-N 3.48Å |
| 543 | H | 95.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.009 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.3 | -39.4 | 176.6 | -60.9 | 165.6 | 0 | 0 | 0 | 112 | Y442 L446 D450 S539 T540 I541 K545 L546 | Y442-H543 HydrophobicContact CD1-CB 3.76Å; Y442-H543 AromaticContact CD1-CD2 3.79Å; Y442-H543 AromaticContact CD1-CG 3.78Å; Y442-H543 HydrophobicContact CE1-CB 4.38Å; Y442-H543 AromaticContact CE1-CD2 3.49Å; Y442-H543 VanDerWaalsContact CE1-CD2 3.49Å; Y442-H543 WeakPolarHBondContact CE1-CD2 3.35Å; Y442-H543 AromaticContact CE1-CG 3.97Å; L446-H543 HydrophobicContact CD2-CB 3.74Å; L446-H543 HydrophobicContact CG-CB 4.13Å; D450-H543 IonicContact OD1-CE1 3.37Å; D450-H543 IonicContact OD1-ND1 3.14Å; D450-H543 PolarHBondContact OD1-ND1 2.91Å; D450-H543 VanDerWaalsContact OD1-ND1 3.11Å; D450-H543 IonicContact OD2-CE1 3.1Å; D450-H543 IonicContact OD2-CG 3.49Å; D450-H543 IonicContact OD2-ND1 2.71Å; D450-H543 PolarHBondContact OD2-ND1 3.41Å; S539-H543 PolarHBondContact O-CD2 3.4Å; S539-H543 VanDerWaalsContact O-CG 3.29Å; S539-H543 PolarHBondContact O-N 2.81Å; T540-H543 CarbonylContact O-C 3.4Å; T540-H543 WeakPolarHBondContact O-CA 3.13Å; T540-H543 WeakPolarHBondContact O-CB 3.35Å; T540-H543 PolarHBondContact O-N 3.49Å; T540-H543 VanDerWaalsContact O-N 3.1Å; I541-H543 VanDerWaalsContact C-N 3.35Å; H543-K545 VanDerWaalsContact C-N 3.28Å; H543-K545 PolarHBondContact O-N 3.3Å; H543-L546 PolarHBondContact O-N 3.08Å; H543-L546 VanDerWaalsContact O-N 3.13Å |
| 544 | T | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.5 | -42.1 | 173.4 | 70.5 | 0 | 0 | 0 | 0 | 111.5 | L446 F504 R508 T540 I541 L542 L546 V547 D548 | L446-T544 HydrophobicContact CD1-CG2 4.33Å; L446-T544 HydrophobicContact CD2-CG2 3.99Å; F504-T544 HydrophobicContact CB-CG2 4Å; F504-T544 HydrophobicContact CD1-CG2 4.34Å; F504-T544 HydrophobicContact CD2-CG2 4.41Å; F504-T544 HydrophobicContact CG-CG2 4.01Å; R508-T544 PolarHBondContact NH1-OG1 3.32Å; T540-T544 WeakPolarHBondContact O-CG2 3.25Å; T540-T544 PolarHBondContact O-N 3.3Å; I541-T544 PolarHBondContact O-N 3.49Å; I541-T544 PolarHBondContact O-OG1 2.83Å; L542-T544 VanDerWaalsContact C-N 3.32Å; L542-T544 PolarHBondContact O-N 2.92Å; T544-L546 PolarHBondContact O-N 3.01Å; T544-V547 WeakPolarHBondContact O-CB 3.12Å; T544-V547 PolarHBondContact O-N 3.33Å; T544-D548 PolarHBondContact O-N 2.89Å |
| 545 | K | 95.8 | Very high | 94.7 | Very high | 31 Ų | 31 | 25.3 Ų | 25.3 | 14% | 0.135 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.9 | -27.9 | 179.3 | -69 | 176 | -179.9 | 172.8 | 0 | 112.8 | I541 L542 H543 V547 Y549 L550 | I541-K545 PolarHBondContact O-N 3.37Å; L542-K545 WeakPolarHBondContact O-CB 3.38Å; L542-K545 PolarHBondContact O-N 2.82Å; L542-K545 VanDerWaalsContact O-N 3.11Å; H543-K545 VanDerWaalsContact C-N 3.28Å; H543-K545 PolarHBondContact O-N 3.3Å; K545-V547 PolarHBondContact O-N 3.48Å; K545-Y549 HydrophobicContact CB-CD1 4.44Å; K545-Y549 HydrophobicContact CD-CD1 4.37Å; K545-Y549 HydrophobicContact CG-CD1 4.17Å; K545-Y549 HydrophobicContact CG-CG 4.45Å; K545-Y549 CarbonylContact O-C 3.5Å; K545-Y549 VanDerWaalsContact O-CA 3.31Å; K545-Y549 WeakPolarHBondContact O-CA 3.37Å; K545-Y549 WeakPolarHBondContact O-CB 3.06Å; K545-Y549 PolarHBondContact O-N 3.17Å; K545-L550 PolarHBondContact O-N 3.16Å |
| 546 | L | 95.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -76.8 | -4.3 | 175.3 | -66.7 | 167.5 | 0 | 0 | 0 | 113 | A368 F372 I438 Y442 L542 H543 T544 L550 L553 | A368-L546 HydrophobicContact CB-CD2 4.44Å; F372-L546 HydrophobicContact CD2-CD2 3.87Å; F372-L546 HydrophobicContact CE2-CD2 3.37Å; F372-L546 HydrophobicContact CZ-CD2 4.02Å; I438-L546 HydrophobicContact CG2-CB 4.31Å; Y442-L546 HydrophobicContact CD1-CB 4.29Å; Y442-L546 HydrophobicContact CD1-CD1 4.04Å; Y442-L546 HydrophobicContact CD2-CB 3.6Å; Y442-L546 HydrophobicContact CD2-CD1 4.03Å; Y442-L546 HydrophobicContact CD2-CG 4.39Å; Y442-L546 HydrophobicContact CE1-CD1 3.53Å; Y442-L546 HydrophobicContact CE2-CB 3.97Å; Y442-L546 HydrophobicContact CE2-CD1 3.55Å; Y442-L546 HydrophobicContact CE2-CG 4.28Å; Y442-L546 HydrophobicContact CG-CB 3.81Å; Y442-L546 HydrophobicContact CG-CD1 4.28Å; L542-L546 PolarHBondContact O-N 3.48Å; H543-L546 PolarHBondContact O-N 3.08Å; H543-L546 VanDerWaalsContact O-N 3.13Å; T544-L546 PolarHBondContact O-N 3.01Å; L546-L550 HydrophobicContact CD2-CD1 4.02Å; L546-L553 HydrophobicContact CD2-CD2 3.62Å; L546-L553 HydrophobicContact CG-CD2 4.3Å |
| 547 | V | 93.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -98.6 | -60.1 | 172.1 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | Q439 L443 L446 F502 F504 T544 K545 | Q439-V547 WeakPolarHBondContact CG-O 3.46Å; Q439-V547 PolarHBondContact NE2-O 3.11Å; L443-V547 HydrophobicContact CD1-CG1 4.24Å; L443-V547 HydrophobicContact CD2-CG1 3.94Å; L443-V547 HydrophobicContact CD2-CG2 4.36Å; L443-V547 HydrophobicContact CG-CG1 3.86Å; L443-V547 HydrophobicContact CG-CG2 4.11Å; L446-V547 HydrophobicContact CD1-CG2 3.84Å; F502-V547 HydrophobicContact CB-CG1 4.33Å; F504-V547 HydrophobicContact CD2-CB 4.28Å; F504-V547 HydrophobicContact CD2-CG1 4.49Å; F504-V547 HydrophobicContact CE2-CB 3.99Å; F504-V547 HydrophobicContact CE2-CG1 3.92Å; F504-V547 HydrophobicContact CE2-CG2 4.32Å; T544-V547 WeakPolarHBondContact O-CB 3.12Å; T544-V547 PolarHBondContact O-N 3.33Å; K545-V547 PolarHBondContact O-N 3.48Å |
| 548 | D | 94.1 | Very high | 94.8 | Very high | 46 Ų | 46 | 27.2 Ų | 27.2 | 25% | 0.246 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -113.7 | 0.5 | -167.2 | 72.1 | -30.1 | 0 | 0 | 0 | 114.3 | F502 F504 R508 T544 | F502-D548 VanDerWaalsContact O-CB 3.27Å; F502-D548 WeakPolarHBondContact O-CB 3.36Å; F504-D548 PolarHBondContact N-OD2 3.19Å; R508-D548 IonicContact CZ-OD1 2.67Å; R508-D548 IonicContact CZ-OD2 2.99Å; R508-D548 IonicContact NH1-OD1 2.88Å; R508-D548 PolarHBondContact NH1-OD1 3.41Å; R508-D548 IonicContact NH1-OD2 2.67Å; R508-D548 PolarHBondContact NH1-OD2 3.43Å; R508-D548 VanDerWaalsContact NH2-CG 3.34Å; R508-D548 IonicContact NH2-OD1 3.36Å; R508-D548 PolarHBondContact NH2-OD1 3.5Å; R508-D548 IonicContact NH2-OD2 2.8Å; R508-D548 PolarHBondContact NH2-OD2 3.11Å; T544-D548 PolarHBondContact O-N 2.89Å |
| 549 | Y | 94.7 | Very high | 94.9 | Very high | 83 Ų | 83 | 27.6 Ų | 27.6 | 33% | 0.325 | 13% | 0.133 | S | C | . | . | trans | -129.5 | 22.6 | -175.8 | -155.3 | -109.8 | 0 | 0 | 0 | 112.5 | K545 D551 E552 L553 L556 | K545-Y549 HydrophobicContact CB-CD1 4.44Å; K545-Y549 HydrophobicContact CD-CD1 4.37Å; K545-Y549 HydrophobicContact CG-CD1 4.17Å; K545-Y549 HydrophobicContact CG-CG 4.45Å; K545-Y549 CarbonylContact O-C 3.5Å; K545-Y549 VanDerWaalsContact O-CA 3.31Å; K545-Y549 WeakPolarHBondContact O-CA 3.37Å; K545-Y549 WeakPolarHBondContact O-CB 3.06Å; K545-Y549 PolarHBondContact O-N 3.17Å; Y549-D551 PolarHBondContact O-N 3.38Å; Y549-E552 HydrophobicContact CD1-CB 3.71Å; Y549-E552 HydrophobicContact CD2-CB 3.96Å; Y549-E552 HydrophobicContact CD2-CG 4.19Å; Y549-E552 HydrophobicContact CE1-CB 3.34Å; Y549-E552 HydrophobicContact CE1-CG 4.28Å; Y549-E552 HydrophobicContact CE2-CB 3.6Å; Y549-E552 HydrophobicContact CE2-CG 3.65Å; Y549-E552 HydrophobicContact CG-CB 4Å; Y549-E552 PolarHBondContact O-N 3.23Å; Y549-L553 VanDerWaalsContact O-CB 3.32Å; Y549-L553 WeakPolarHBondContact O-CB 3.34Å; Y549-L553 PolarHBondContact O-N 3Å; Y549-L556 HydrophobicContact CE1-CD1 4.25Å | ||
| 550 | L | 93.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.4 | -43.5 | -171.1 | -166.5 | 72.1 | 0 | 0 | 0 | 112.4 | F372 V431 S435 I438 K545 L546 L553 L554 | F372-L550 HydrophobicContact CE2-CD1 4.05Å; F372-L550 HydrophobicContact CZ-CD1 3.54Å; F372-L550 HydrophobicContact CZ-CG 4.38Å; V431-L550 HydrophobicContact CG1-CD1 4.1Å; V431-L550 HydrophobicContact CG1-CD2 3.84Å; V431-L550 HydrophobicContact CG1-CG 3.99Å; S435-L550 VanDerWaalsContact CB-CD2 3.46Å; I438-L550 HydrophobicContact CD1-CD2 4.47Å; I438-L550 HydrophobicContact CG2-CD1 4.18Å; K545-L550 PolarHBondContact O-N 3.16Å; L546-L550 HydrophobicContact CD2-CD1 4.02Å; L550-L553 PolarHBondContact O-N 3.36Å; L550-L554 PolarHBondContact O-N 3.1Å |
| 551 | D | 92.6 | Very high | 95.2 | Very high | 96 Ų | 96 | 27.3 Ų | 27.3 | 51% | 0.513 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -65.1 | -45.6 | -177.7 | -59.8 | -10.9 | 0 | 0 | 0 | 111.2 | M432 Y549 L554 R555 | M432-D551 WeakPolarHBondContact CE-OD1 3.21Å; Y549-D551 PolarHBondContact O-N 3.38Å; D551-L554 WeakPolarHBondContact O-CB 3.24Å; D551-L554 PolarHBondContact O-N 3Å; D551-R555 PolarHBondContact O-N 3.12Å |
| 552 | E | 94.2 | Very high | 95.2 | Very high | 67 Ų | 67 | 28.1 Ų | 28.1 | 31% | 0.313 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -68.1 | -36.5 | 175.9 | -73 | -60.5 | 147 | 0 | 0 | 111.6 | Y549 L554 R555 L556 | Y549-E552 HydrophobicContact CD1-CB 3.71Å; Y549-E552 HydrophobicContact CD2-CB 3.96Å; Y549-E552 HydrophobicContact CD2-CG 4.19Å; Y549-E552 HydrophobicContact CE1-CB 3.34Å; Y549-E552 HydrophobicContact CE1-CG 4.28Å; Y549-E552 HydrophobicContact CE2-CB 3.6Å; Y549-E552 HydrophobicContact CE2-CG 3.65Å; Y549-E552 HydrophobicContact CG-CB 4Å; Y549-E552 PolarHBondContact O-N 3.23Å; E552-L554 VanDerWaalsContact C-N 3.33Å; E552-L554 PolarHBondContact O-N 2.78Å; E552-R555 WeakPolarHBondContact O-CB 3.33Å; E552-R555 PolarHBondContact O-N 3.43Å; E552-R555 IonicContact OE1-NE 2.71Å; E552-R555 IonicContact OE2-CZ 3.9Å; E552-R555 IonicContact OE2-NE 2.74Å; E552-R555 PolarHBondContact OE2-NE 2.97Å; E552-R555 IonicContact OE2-NH2 3.84Å; E552-R555 PolarHBondContact OE2-NH2 3.43Å; E552-L556 WeakPolarHBondContact O-CB 3.22Å; E552-L556 VanDerWaalsContact O-CG 3.26Å; E552-L556 WeakPolarHBondContact O-CG 3.42Å; E552-L556 PolarHBondContact O-N 3.35Å |
| 553 | L | 95.2 | Very high | 95.3 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 173.8 | -168.9 | 65.4 | 0 | 0 | 0 | 111.3 | L250 F372 L546 Y549 L550 L556 V557 | L250-L553 HydrophobicContact CD1-CD1 4.05Å; F372-L553 HydrophobicContact CD1-CB 4.37Å; F372-L553 HydrophobicContact CD1-CD2 3.76Å; F372-L553 HydrophobicContact CD1-CG 3.61Å; F372-L553 HydrophobicContact CD2-CD2 4.15Å; F372-L553 HydrophobicContact CE1-CB 3.91Å; F372-L553 HydrophobicContact CE1-CD2 3.68Å; F372-L553 HydrophobicContact CE1-CG 3.61Å; F372-L553 HydrophobicContact CE2-CD2 4.1Å; F372-L553 HydrophobicContact CG-CD2 4.03Å; F372-L553 HydrophobicContact CG-CG 4.3Å; F372-L553 HydrophobicContact CZ-CD2 3.89Å; F372-L553 HydrophobicContact CZ-CG 4.31Å; L546-L553 HydrophobicContact CD2-CD2 3.62Å; L546-L553 HydrophobicContact CG-CD2 4.3Å; Y549-L553 VanDerWaalsContact O-CB 3.32Å; Y549-L553 WeakPolarHBondContact O-CB 3.34Å; Y549-L553 PolarHBondContact O-N 3Å; L550-L553 PolarHBondContact O-N 3.36Å; L553-L556 PolarHBondContact O-N 2.91Å; L553-V557 WeakPolarHBondContact O-CG2 3.3Å; L553-V557 PolarHBondContact O-N 3.08Å |
| 554 | L | 96.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.3 | -43.3 | 173.1 | -81.7 | 177.9 | 0 | 0 | 0 | 111.2 | F372 L375 R428 V431 M432 L550 D551 E552 V557 S558 | F372-L554 HydrophobicContact CD1-CD2 4.24Å; F372-L554 HydrophobicContact CE1-CB 4.39Å; F372-L554 HydrophobicContact CE1-CD2 3.56Å; F372-L554 HydrophobicContact CE1-CG 3.71Å; F372-L554 HydrophobicContact CZ-CD2 4.08Å; F372-L554 HydrophobicContact CZ-CG 4.16Å; L375-L554 HydrophobicContact CD1-CD2 3.85Å; R428-L554 HydrophobicContact CG-CD2 4.3Å; R428-L554 PolarHBondContact NH1-O 2.99Å; V431-L554 HydrophobicContact CB-CD1 4.13Å; V431-L554 HydrophobicContact CB-CD2 4.28Å; V431-L554 HydrophobicContact CG1-CD1 3.75Å; V431-L554 HydrophobicContact CG1-CD2 4.13Å; V431-L554 HydrophobicContact CG1-CG 4.11Å; V431-L554 HydrophobicContact CG2-CD2 4.45Å; M432-L554 HydrophobicContact CG-CD1 3.78Å; M432-L554 HydrophobicContact SD-CD1 3.64Å; L550-L554 PolarHBondContact O-N 3.1Å; D551-L554 WeakPolarHBondContact O-CB 3.24Å; D551-L554 PolarHBondContact O-N 3Å; E552-L554 VanDerWaalsContact C-N 3.33Å; E552-L554 PolarHBondContact O-N 2.78Å; L554-V557 PolarHBondContact O-N 3.23Å; L554-S558 PolarHBondContact O-N 3.48Å; L554-S558 PolarHBondContact O-OG 3.17Å |
| 555 | R | 94.6 | Very high | 95.3 | Very high | 86 Ų | 86 | 30.5 Ų | 30.5 | 33% | 0.325 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -58.9 | -47.7 | 175.4 | -170.2 | 176.9 | 70.9 | 102.2 | -1.8 | 111.2 | D551 E552 V557 S558 D559 | D551-R555 PolarHBondContact O-N 3.12Å; E552-R555 WeakPolarHBondContact O-CB 3.33Å; E552-R555 PolarHBondContact O-N 3.43Å; E552-R555 IonicContact OE1-NE 2.71Å; E552-R555 IonicContact OE2-CZ 3.9Å; E552-R555 IonicContact OE2-NE 2.74Å; E552-R555 PolarHBondContact OE2-NE 2.97Å; E552-R555 IonicContact OE2-NH2 3.84Å; E552-R555 PolarHBondContact OE2-NH2 3.43Å; R555-V557 VanDerWaalsContact C-N 3.27Å; R555-V557 PolarHBondContact O-N 3.2Å; R555-S558 PolarHBondContact O-N 3.33Å; R555-D559 HydrophobicContact CG-CB 4.14Å; R555-D559 WeakPolarHBondContact O-CB 3.32Å; R555-D559 PolarHBondContact O-N 3.08Å |
| 556 | L | 92.5 | Very high | 95.4 | Very high | 81 Ų | 81 | 30 Ų | 30 | 42% | 0.424 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.5 | -34.2 | -179.5 | -73.6 | 169.4 | 0 | 0 | 0 | 113.7 | Y549 E552 L553 | Y549-L556 HydrophobicContact CE1-CD1 4.25Å; E552-L556 WeakPolarHBondContact O-CB 3.22Å; E552-L556 VanDerWaalsContact O-CG 3.26Å; E552-L556 WeakPolarHBondContact O-CG 3.42Å; E552-L556 PolarHBondContact O-N 3.35Å; L553-L556 PolarHBondContact O-N 2.91Å |
| 557 | V | 96.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.024 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -100.2 | -12.8 | -176.8 | -55.3 | 0 | 0 | 0 | 0 | 114.4 | L250 F372 L375 S376 S379 L553 L554 R555 | L250-V557 HydrophobicContact CB-CG1 4.47Å; L250-V557 HydrophobicContact CD2-CG1 4.32Å; F372-V557 HydrophobicContact CB-CG2 4.47Å; F372-V557 HydrophobicContact CD1-CG2 3.74Å; L375-V557 CarbonylContact C-O 3.55Å; L375-V557 HydrophobicContact CB-CB 4.41Å; L375-V557 HydrophobicContact CB-CG2 3.81Å; L375-V557 HydrophobicContact CD1-CG2 4.23Å; L375-V557 VanDerWaalsContact O-O 3.07Å; S376-V557 WeakPolarHBondContact CA-O 3.33Å; S376-V557 PolarHBondContact N-O 3.36Å; S379-V557 WeakPolarHBondContact CB-O 3.48Å; S379-V557 PolarHBondContact OG-O 3.02Å; L553-V557 WeakPolarHBondContact O-CG2 3.3Å; L553-V557 PolarHBondContact O-N 3.08Å; L554-V557 PolarHBondContact O-N 3.23Å; R555-V557 VanDerWaalsContact C-N 3.27Å; R555-V557 PolarHBondContact O-N 3.2Å |
| 558 | S | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -150.1 | 23.3 | -170.4 | 60.4 | 0 | 0 | 0 | 0 | 116 | S379 R428 L554 R555 M560 | S379-S558 WeakPolarHBondContact OG-CA 3.48Å; R428-S558 WeakPolarHBondContact CD-OG 3.32Å; R428-S558 WeakPolarHBondContact CG-OG 3.47Å; R428-S558 PolarHBondContact NH1-OG 2.95Å; L554-S558 PolarHBondContact O-N 3.48Å; L554-S558 PolarHBondContact O-OG 3.17Å; R555-S558 PolarHBondContact O-N 3.33Å; S558-M560 PolarHBondContact O-N 3.07Å |
| 559 | D | 95.8 | Very high | 95.3 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 18% | 0.176 | 19% | 0.192 | C | C | . | . | trans | -65.5 | 128.1 | 169.5 | -179.7 | 36.2 | 0 | 0 | 0 | 111.3 | H383 R555 S561 Q599 | H383-D559 PolarHBondContact CE1-O 3.28Å; H383-D559 VanDerWaalsContact CE1-O 3.23Å; R555-D559 HydrophobicContact CG-CB 4.14Å; R555-D559 WeakPolarHBondContact O-CB 3.32Å; R555-D559 PolarHBondContact O-N 3.08Å; D559-S561 VanDerWaalsContact CG-OG 3.29Å; D559-S561 WeakPolarHBondContact OD1-CB 3.21Å; D559-S561 PolarHBondContact OD1-N 2.96Å; D559-S561 PolarHBondContact OD1-OG 3.32Å; D559-S561 PolarHBondContact OD2-OG 3.39Å; D559-Q599 PolarHBondContact OD1-OE1 2.79Å | ||
| 560 | M | 97.8 | Very high | 95.4 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 3% | 0.034 | 18% | 0.177 | C | C | . | . | trans | -115.1 | 12.3 | 175 | -66.9 | -64.1 | 161.4 | 0 | 0 | 111.9 | V382 L421 M424 S558 I562 F563 I593 | V382-M560 HydrophobicContact CB-CE 4.02Å; V382-M560 HydrophobicContact CB-SD 4.27Å; V382-M560 HydrophobicContact CG1-CE 4.05Å; V382-M560 HydrophobicContact CG1-SD 3.65Å; V382-M560 HydrophobicContact CG2-CE 4.12Å; L421-M560 HydrophobicContact CD2-CE 4.36Å; L421-M560 HydrophobicContact CD2-CG 4.35Å; L421-M560 HydrophobicContact CD2-SD 3.99Å; M424-M560 HydrophobicContact CE-CE 3.16Å; M424-M560 HydrophobicContact SD-CE 3.75Å; S558-M560 PolarHBondContact O-N 3.07Å; M560-I562 PolarHBondContact O-N 3.22Å; M560-F563 HydrophobicContact CB-CD2 4.15Å; M560-F563 HydrophobicContact CB-CE2 4.45Å; M560-F563 WeakPolarHBondContact O-CD2 3.31Å; M560-F563 PolarHBondContact O-N 3.17Å; M560-F563 HydrophobicContact SD-CD2 4.4Å; M560-F563 HydrophobicContact SD-CE2 3.9Å; M560-I593 HydrophobicContact CB-CD1 4.4Å; M560-I593 HydrophobicContact CB-CG1 4.05Å; M560-I593 HydrophobicContact CB-CG2 4.15Å; M560-I593 WeakPolarHBondContact O-CG2 3.35Å | ||
| 561 | S | 96.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -55.8 | -26.6 | 177.9 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | D559 F563 I564 Q596 | D559-S561 VanDerWaalsContact CG-OG 3.29Å; D559-S561 WeakPolarHBondContact OD1-CB 3.21Å; D559-S561 PolarHBondContact OD1-N 2.96Å; D559-S561 PolarHBondContact OD1-OG 3.32Å; D559-S561 PolarHBondContact OD2-OG 3.39Å; S561-F563 PolarHBondContact O-N 3.22Å; S561-I564 VanDerWaalsContact O-CG1 3.24Å; S561-I564 WeakPolarHBondContact O-CG1 3.26Å; S561-I564 WeakPolarHBondContact O-CG2 3.4Å; S561-I564 PolarHBondContact O-N 2.98Å; S561-Q596 VanDerWaalsContact CB-O 3.3Å; S561-Q596 WeakPolarHBondContact CB-O 3.28Å |
| 562 | I | 96.6 | Very high | 95.6 | Very high | 24 Ų | 24 | 34.3 Ų | 34.3 | 12% | 0.123 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -51.8 | -28.4 | 178.2 | -167.8 | 57.9 | 0 | 0 | 0 | 114 | R294 H383 L386 M560 I564 F565 Y566 | R294-I562 HydrophobicContact CB-CD1 4.32Å; H383-I562 WeakPolarHBondContact NE2-CG2 3.5Å; L386-I562 HydrophobicContact CD2-CG1 4.41Å; L386-I562 HydrophobicContact CD2-CG2 3.89Å; M560-I562 PolarHBondContact O-N 3.22Å; I562-I564 PolarHBondContact O-N 2.97Å; I562-I564 VanDerWaalsContact O-N 3.14Å; I562-F565 HydrophobicContact CD1-CD2 4.1Å; I562-F565 PolarHBondContact O-N 2.95Å; I562-F565 VanDerWaalsContact O-N 3.08Å; I562-Y566 HydrophobicContact CD1-CE2 4.09Å; I562-Y566 HydrophobicContact CG1-CD2 4.3Å; I562-Y566 HydrophobicContact CG1-CE2 3.88Å; I562-Y566 WeakPolarHBondContact O-CD2 3.47Å |
| 563 | F | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -57.9 | -27.3 | 178.7 | -85.3 | -84.8 | 0 | 0 | 0 | 113.4 | V382 L386 L421 M560 S561 F565 Y566 F570 L573 I593 | V382-F563 HydrophobicContact CG1-CE2 3.73Å; V382-F563 HydrophobicContact CG1-CZ 3.84Å; L386-F563 HydrophobicContact CD1-CD1 4.21Å; L386-F563 HydrophobicContact CD1-CE1 3.99Å; L386-F563 HydrophobicContact CD2-CD1 4.05Å; L386-F563 HydrophobicContact CD2-CD2 4.37Å; L386-F563 HydrophobicContact CD2-CE1 4.14Å; L386-F563 HydrophobicContact CD2-CE2 4.46Å; L386-F563 HydrophobicContact CD2-CG 4.18Å; L386-F563 HydrophobicContact CD2-CZ 4.35Å; L421-F563 HydrophobicContact CD1-CZ 4.21Å; L421-F563 HydrophobicContact CD2-CE2 4.17Å; L421-F563 HydrophobicContact CD2-CZ 4.41Å; M560-F563 HydrophobicContact CB-CD2 4.15Å; M560-F563 HydrophobicContact CB-CE2 4.45Å; M560-F563 WeakPolarHBondContact O-CD2 3.31Å; M560-F563 PolarHBondContact O-N 3.17Å; M560-F563 HydrophobicContact SD-CD2 4.4Å; M560-F563 HydrophobicContact SD-CE2 3.9Å; S561-F563 PolarHBondContact O-N 3.22Å; F563-F565 PolarHBondContact O-N 3.32Å; F563-Y566 CarbonylContact O-C 3.27Å; F563-Y566 PolarHBondContact O-N 3.12Å; F563-F570 HydrophobicContact CB-CD1 4.18Å; F563-F570 HydrophobicContact CB-CD2 4.07Å; F563-F570 HydrophobicContact CB-CE1 4.33Å; F563-F570 HydrophobicContact CB-CE2 4.21Å; F563-F570 HydrophobicContact CB-CG 4.07Å; F563-F570 HydrophobicContact CB-CZ 4.35Å; F563-F570 HydrophobicContact CD1-CB 4.17Å; F563-F570 AromaticContact CD1-CD2 3.5Å; F563-F570 HydrophobicContact CD1-CD2 3.5Å; F563-F570 VanDerWaalsContact CD1-CD2 3.5Å; F563-F570 HydrophobicContact CD1-CE2 4.07Å; F563-F570 AromaticContact CD1-CG 3.98Å; F563-F570 HydrophobicContact CD1-CG 3.98Å; F563-F570 HydrophobicContact CE1-CD2 4.23Å; F563-F570 HydrophobicContact CG-CD2 4.03Å; F563-F570 HydrophobicContact CG-CE2 4.22Å; F563-F570 HydrophobicContact CG-CG 4.44Å; F563-L573 HydrophobicContact CE1-CD1 3.78Å; F563-I593 HydrophobicContact CB-CG2 4Å; F563-I593 HydrophobicContact CD2-CD1 4.31Å; F563-I593 HydrophobicContact CD2-CG2 4.26Å; F563-I593 HydrophobicContact CE2-CD1 4.39Å; F563-I593 HydrophobicContact CG-CG2 4.39Å |
| 564 | I | 96.1 | Very high | 95.8 | Very high | 34 Ų | 34 | 31.8 Ų | 31.8 | 17% | 0.174 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -64.7 | -25.3 | 179 | 74.3 | 178.8 | 0 | 0 | 0 | 112.8 | S561 I562 Y566 A597 A600 I612 | S561-I564 VanDerWaalsContact O-CG1 3.24Å; S561-I564 WeakPolarHBondContact O-CG1 3.26Å; S561-I564 WeakPolarHBondContact O-CG2 3.4Å; S561-I564 PolarHBondContact O-N 2.98Å; I562-I564 PolarHBondContact O-N 2.97Å; I562-I564 VanDerWaalsContact O-N 3.14Å; I564-Y566 VanDerWaalsContact C-N 3.3Å; I564-A597 HydrophobicContact CD1-CB 4.39Å; I564-A597 HydrophobicContact CG2-CB 3.71Å; I564-A600 HydrophobicContact CD1-CB 3.93Å; I564-I612 HydrophobicContact CD1-CB 4.44Å; I564-I612 HydrophobicContact CD1-CD1 4.21Å; I564-I612 HydrophobicContact CD1-CG1 4.23Å; I564-I612 HydrophobicContact CD1-CG2 3.44Å; I564-I612 VanDerWaalsContact CD1-CG2 3.44Å |
| 565 | F | 95.8 | Very high | 95.8 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 11% | 0.114 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -86.8 | -4.1 | 178.2 | -58.4 | -81.3 | 0 | 0 | 0 | 112.5 | H27 R294 E295 I562 F563 P567 A600 I612 | H27-F565 AromaticContact CE1-CE1 3.97Å; R294-F565 HydrophobicContact CB-CD2 4.37Å; R294-F565 HydrophobicContact CB-CG 4.37Å; R294-F565 VanDerWaalsContact CD-CZ 3.47Å; R294-F565 HydrophobicContact CG-CD2 4.47Å; R294-F565 HydrophobicContact CG-CE2 4.19Å; R294-F565 HydrophobicContact CG-CZ 4.28Å; E295-F565 HydrophobicContact CB-CB 3.96Å; E295-F565 HydrophobicContact CG-CB 4.35Å; E295-F565 WeakPolarHBondContact OE2-CD1 3.47Å; I562-F565 HydrophobicContact CD1-CD2 4.1Å; I562-F565 PolarHBondContact O-N 2.95Å; I562-F565 VanDerWaalsContact O-N 3.08Å; F563-F565 PolarHBondContact O-N 3.32Å; F565-P567 WeakPolarHBondContact O-CD 3.41Å; F565-A600 HydrophobicContact CE2-CB 3.68Å; F565-A600 HydrophobicContact CZ-CB 4Å; F565-I612 HydrophobicContact CE1-CD1 4.48Å; F565-I612 HydrophobicContact CZ-CD1 4.19Å |
| 566 | Y | 96.2 | Very high | 95.8 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 8% | 0.082 | 19% | 0.188 | C | C | . | . | trans | -121.6 | 54.6 | 175.2 | -63.9 | -86.3 | 0 | 0 | 0 | 111.5 | E295 L386 A390 I562 F563 I564 S568 K569 F570 | E295-Y566 WeakPolarHBondContact CA-OH 3.37Å; E295-Y566 HydrophobicContact CB-CE1 4.15Å; E295-Y566 HydrophobicContact CB-CE2 4.11Å; L386-Y566 HydrophobicContact CD1-CD2 4.27Å; L386-Y566 HydrophobicContact CD1-CG 4.01Å; L386-Y566 HydrophobicContact CD2-CD2 3.54Å; L386-Y566 HydrophobicContact CD2-CE2 3.98Å; L386-Y566 HydrophobicContact CD2-CG 4.13Å; L386-Y566 HydrophobicContact CG-CD2 3.77Å; L386-Y566 HydrophobicContact CG-CE2 4.1Å; L386-Y566 HydrophobicContact CG-CG 3.97Å; A390-Y566 HydrophobicContact CB-CD1 3.43Å; A390-Y566 VanDerWaalsContact CB-CD1 3.43Å; A390-Y566 HydrophobicContact CB-CE1 3.34Å; I562-Y566 HydrophobicContact CD1-CE2 4.09Å; I562-Y566 HydrophobicContact CG1-CD2 4.3Å; I562-Y566 HydrophobicContact CG1-CE2 3.88Å; I562-Y566 WeakPolarHBondContact O-CD2 3.47Å; F563-Y566 CarbonylContact O-C 3.27Å; F563-Y566 PolarHBondContact O-N 3.12Å; I564-Y566 VanDerWaalsContact C-N 3.3Å; Y566-S568 VanDerWaalsContact C-N 3.32Å; Y566-S568 PolarHBondContact O-N 3.49Å; Y566-K569 PolarHBondContact O-N 2.87Å; Y566-F570 WeakPolarHBondContact O-CB 3.04Å; Y566-F570 PolarHBondContact O-N 3.45Å | ||
| 567 | P | 93.7 | Very high | 96 | Very high | 72 Ų | 72 | 29.4 Ų | 29.4 | 47% | 0.468 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -57.7 | -42.3 | -169.1 | 23.4 | -34.5 | 0 | 0 | 0 | 112.7 | F565 K569 F570 T571 | F565-P567 WeakPolarHBondContact O-CD 3.41Å; P567-K569 PolarHBondContact O-N 3.49Å; P567-F570 PolarHBondContact O-N 2.67Å; P567-T571 PolarHBondContact O-N 2.64Å; P567-T571 PolarHBondContact O-OG1 2.82Å |
| 568 | S | 94 | Very high | 95.9 | Very high | 102 Ų | 102 | 31.8 Ų | 31.8 | 71% | 0.713 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -61.7 | -44.2 | 178.6 | -52.2 | 0 | 0 | 0 | 0 | 112.3 | Y566 E572 | Y566-S568 VanDerWaalsContact C-N 3.32Å; Y566-S568 PolarHBondContact O-N 3.49Å; S568-E572 WeakPolarHBondContact O-CB 3.4Å; S568-E572 PolarHBondContact O-N 3.05Å |
| 569 | K | 93.6 | Very high | 95.6 | Very high | 24 Ų | 24 | 38.1 Ų | 38.1 | 10% | 0.104 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.8 | -35.2 | 179.6 | -169.5 | 58.4 | 177.5 | -178.5 | 0 | 111.2 | L386 S389 Y566 P567 E572 L573 | L386-K569 HydrophobicContact CD1-CB 4.21Å; L386-K569 HydrophobicContact CD1-CG 3.9Å; S389-K569 WeakPolarHBondContact OG-CE 3.43Å; Y566-K569 PolarHBondContact O-N 2.87Å; P567-K569 PolarHBondContact O-N 3.49Å; K569-E572 VanDerWaalsContact CD-OE2 3.29Å; K569-E572 WeakPolarHBondContact CD-OE2 3.5Å; K569-E572 VanDerWaalsContact NZ-CD 3.32Å; K569-E572 IonicContact NZ-OE1 3.83Å; K569-E572 PolarHBondContact NZ-OE1 3.14Å; K569-E572 IonicContact NZ-OE2 3.25Å; K569-E572 PolarHBondContact NZ-OE2 3.01Å; K569-E572 PolarHBondContact O-N 2.93Å; K569-L573 HydrophobicContact CG-CD1 4.3Å; K569-L573 WeakPolarHBondContact O-CB 3.41Å; K569-L573 VanDerWaalsContact O-CG 3.31Å; K569-L573 WeakPolarHBondContact O-CG 3.48Å; K569-L573 PolarHBondContact O-N 3.35Å |
| 570 | F | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 177.6 | -169.1 | -154 | 0 | 0 | 0 | 111.5 | F563 Y566 P567 L573 F574 F590 I593 L619 F623 | F563-F570 HydrophobicContact CB-CD1 4.18Å; F563-F570 HydrophobicContact CB-CD2 4.07Å; F563-F570 HydrophobicContact CB-CE1 4.33Å; F563-F570 HydrophobicContact CB-CE2 4.21Å; F563-F570 HydrophobicContact CB-CG 4.07Å; F563-F570 HydrophobicContact CB-CZ 4.35Å; F563-F570 HydrophobicContact CD1-CB 4.17Å; F563-F570 AromaticContact CD1-CD2 3.5Å; F563-F570 HydrophobicContact CD1-CD2 3.5Å; F563-F570 VanDerWaalsContact CD1-CD2 3.5Å; F563-F570 HydrophobicContact CD1-CE2 4.07Å; F563-F570 AromaticContact CD1-CG 3.98Å; F563-F570 HydrophobicContact CD1-CG 3.98Å; F563-F570 HydrophobicContact CE1-CD2 4.23Å; F563-F570 HydrophobicContact CG-CD2 4.03Å; F563-F570 HydrophobicContact CG-CE2 4.22Å; F563-F570 HydrophobicContact CG-CG 4.44Å; Y566-F570 WeakPolarHBondContact O-CB 3.04Å; Y566-F570 PolarHBondContact O-N 3.45Å; P567-F570 PolarHBondContact O-N 2.67Å; F570-L573 PolarHBondContact O-N 3.44Å; F570-F574 PolarHBondContact O-N 2.95Å; F570-F574 VanDerWaalsContact O-N 3.09Å; F570-F590 AromaticContact CD2-CD1 3.7Å; F570-F590 HydrophobicContact CD2-CD1 3.7Å; F570-F590 HydrophobicContact CD2-CE1 4.15Å; F570-F590 HydrophobicContact CE2-CB 4.23Å; F570-F590 AromaticContact CE2-CD1 3.38Å; F570-F590 HydrophobicContact CE2-CD1 3.38Å; F570-F590 HydrophobicContact CE2-CE1 4.15Å; F570-F590 HydrophobicContact CE2-CG 4.21Å; F570-F590 HydrophobicContact CZ-CB 4.38Å; F570-F590 HydrophobicContact CZ-CD1 4.3Å; F570-F590 WeakPolarHBondContact CZ-O 3.47Å; F570-I593 HydrophobicContact CE1-CG2 4.49Å; F570-I593 HydrophobicContact CE2-CB 4.45Å; F570-I593 HydrophobicContact CE2-CD1 4.24Å; F570-I593 HydrophobicContact CE2-CG2 4.31Å; F570-I593 HydrophobicContact CZ-CB 3.98Å; F570-I593 HydrophobicContact CZ-CG2 3.82Å; F570-L619 HydrophobicContact CD1-CD2 3.59Å; F570-L619 HydrophobicContact CE1-CD2 3.61Å; F570-F623 HydrophobicContact CD1-CE2 4.13Å; F570-F623 HydrophobicContact CD1-CZ 4.21Å; F570-F623 AromaticContact CE1-CE2 3.66Å; F570-F623 HydrophobicContact CE1-CE2 3.66Å; F570-F623 HydrophobicContact CE1-CZ 4.2Å; F570-F623 HydrophobicContact CE2-CE2 4.38Å; F570-F623 HydrophobicContact CG-CZ 4.46Å; F570-F623 AromaticContact CZ-CE2 3.79Å; F570-F623 HydrophobicContact CZ-CE2 3.79Å; F570-F623 HydrophobicContact CZ-CZ 4.46Å |
| 571 | T | 96.5 | Very high | 95.1 | Very high | 48 Ų | 48 | 41.5 Ų | 41.5 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.4 | -35.5 | 174.8 | -55.3 | 0 | 0 | 0 | 0 | 112.7 | P567 F574 S575 | P567-T571 PolarHBondContact O-N 2.64Å; P567-T571 PolarHBondContact O-OG1 2.82Å; T571-F574 PolarHBondContact O-N 3.36Å; T571-S575 WeakPolarHBondContact O-CB 3.34Å; T571-S575 PolarHBondContact O-N 3.03Å; T571-S575 PolarHBondContact O-OG 3.15Å |
| 572 | E | 94.9 | Very high | 94.8 | Very high | 76 Ų | 76 | 43.9 Ų | 43.9 | 36% | 0.355 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 174.4 | -172.8 | -158.7 | 136.4 | 0 | 0 | 111.4 | S568 K569 F574 S575 N576 | S568-E572 WeakPolarHBondContact O-CB 3.4Å; S568-E572 PolarHBondContact O-N 3.05Å; K569-E572 VanDerWaalsContact CD-OE2 3.29Å; K569-E572 WeakPolarHBondContact CD-OE2 3.5Å; K569-E572 VanDerWaalsContact NZ-CD 3.32Å; K569-E572 IonicContact NZ-OE1 3.83Å; K569-E572 PolarHBondContact NZ-OE1 3.14Å; K569-E572 IonicContact NZ-OE2 3.25Å; K569-E572 PolarHBondContact NZ-OE2 3.01Å; K569-E572 PolarHBondContact O-N 2.93Å; E572-F574 VanDerWaalsContact C-N 3.33Å; E572-F574 PolarHBondContact O-N 2.9Å; E572-S575 WeakPolarHBondContact O-CB 3.37Å; E572-S575 PolarHBondContact O-N 3.21Å; E572-N576 VanDerWaalsContact O-CG 3.29Å; E572-N576 PolarHBondContact O-N 3.45Å; E572-N576 PolarHBondContact O-ND2 3.03Å |
| 573 | L | 95.8 | Very high | 94.8 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 177.4 | -74.9 | 169.4 | 0 | 0 | 0 | 111.8 | L417 F563 K569 F570 N576 C577 F590 | L417-L573 HydrophobicContact CD2-CD1 3.88Å; L417-L573 HydrophobicContact CD2-CD2 4.01Å; F563-L573 HydrophobicContact CE1-CD1 3.78Å; K569-L573 HydrophobicContact CG-CD1 4.3Å; K569-L573 WeakPolarHBondContact O-CB 3.41Å; K569-L573 VanDerWaalsContact O-CG 3.31Å; K569-L573 WeakPolarHBondContact O-CG 3.48Å; K569-L573 PolarHBondContact O-N 3.35Å; F570-L573 PolarHBondContact O-N 3.44Å; L573-N576 PolarHBondContact O-N 2.98Å; L573-C577 WeakPolarHBondContact O-CB 3.33Å; L573-C577 PolarHBondContact O-N 3.28Å; L573-F590 HydrophobicContact CB-CE1 3.68Å; L573-F590 HydrophobicContact CB-CZ 4.03Å |
| 574 | F | 97.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 174.1 | 174.7 | -110.9 | 0 | 0 | 0 | 111.6 | F570 T571 E572 N576 C577 R578 F590 F623 E626 I627 | F570-F574 PolarHBondContact O-N 2.95Å; F570-F574 VanDerWaalsContact O-N 3.09Å; T571-F574 PolarHBondContact O-N 3.36Å; E572-F574 VanDerWaalsContact C-N 3.33Å; E572-F574 PolarHBondContact O-N 2.9Å; F574-N576 PolarHBondContact O-N 2.84Å; F574-C577 WeakPolarHBondContact O-CB 3.35Å; F574-C577 PolarHBondContact O-N 3.45Å; F574-R578 VanDerWaalsContact CE1-CD 3.44Å; F574-R578 HydrophobicContact CE2-CG 4.35Å; F574-R578 VanDerWaalsContact CZ-CD 3.42Å; F574-R578 HydrophobicContact CZ-CG 4.27Å; F574-R578 PolarHBondContact O-N 3.3Å; F574-F590 HydrophobicContact CB-CD1 3.64Å; F574-F590 HydrophobicContact CB-CD2 4.36Å; F574-F590 HydrophobicContact CB-CE1 3.83Å; F574-F590 HydrophobicContact CB-CE2 4.49Å; F574-F590 HydrophobicContact CB-CG 3.94Å; F574-F590 HydrophobicContact CB-CZ 4.25Å; F574-F590 HydrophobicContact CD2-CB 3.86Å; F574-F590 HydrophobicContact CD2-CD1 4.3Å; F574-F590 AromaticContact CD2-CD2 3.71Å; F574-F590 HydrophobicContact CD2-CD2 3.71Å; F574-F590 HydrophobicContact CD2-CE2 4.31Å; F574-F590 AromaticContact CD2-CG 3.7Å; F574-F590 HydrophobicContact CD2-CG 3.7Å; F574-F590 HydrophobicContact CG-CD1 4.44Å; F574-F590 HydrophobicContact CG-CG 4.27Å; F574-F623 HydrophobicContact CB-CD1 4.3Å; F574-F623 HydrophobicContact CB-CE1 3.8Å; F574-F623 HydrophobicContact CB-CZ 4.24Å; F574-F623 AromaticContact CD1-CD1 3.42Å; F574-F623 HydrophobicContact CD1-CD1 3.42Å; F574-F623 VanDerWaalsContact CD1-CD1 3.42Å; F574-F623 AromaticContact CD1-CE1 3.55Å; F574-F623 HydrophobicContact CD1-CE1 3.55Å; F574-F623 HydrophobicContact CD1-CG 4.49Å; F574-F623 AromaticContact CD2-CD1 3.98Å; F574-F623 HydrophobicContact CD2-CD1 3.98Å; F574-F623 HydrophobicContact CD2-CE1 4.32Å; F574-F623 HydrophobicContact CD2-CG 4.37Å; F574-F623 AromaticContact CE1-CD1 3.53Å; F574-F623 HydrophobicContact CE1-CD1 3.53Å; F574-F623 HydrophobicContact CE1-CE1 4.14Å; F574-F623 HydrophobicContact CE1-CG 4.43Å; F574-F623 HydrophobicContact CE2-CB 4.18Å; F574-F623 HydrophobicContact CE2-CD1 4.07Å; F574-F623 HydrophobicContact CE2-CG 4.31Å; F574-F623 AromaticContact CG-CD1 3.63Å; F574-F623 HydrophobicContact CG-CD1 3.63Å; F574-F623 AromaticContact CG-CE1 3.63Å; F574-F623 HydrophobicContact CG-CE1 3.63Å; F574-F623 HydrophobicContact CG-CG 4.43Å; F574-F623 HydrophobicContact CG-CZ 4.42Å; F574-F623 HydrophobicContact CZ-CB 4.09Å; F574-F623 AromaticContact CZ-CD1 3.84Å; F574-F623 HydrophobicContact CZ-CD1 3.84Å; F574-F623 HydrophobicContact CZ-CG 4.31Å; F574-E626 HydrophobicContact CE1-CB 3.68Å; F574-E626 HydrophobicContact CE1-CG 4.17Å; F574-E626 HydrophobicContact CZ-CB 3.77Å; F574-I627 HydrophobicContact CE2-CD1 4.26Å; F574-I627 HydrophobicContact CE2-CG1 4.06Å; F574-I627 HydrophobicContact CZ-CG1 4.11Å |
| 575 | S | 96.2 | Very high | 94.8 | Very high | 45 Ų | 45 | 45.5 Ų | 45.5 | 32% | 0.315 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 178.6 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | T571 E572 C577 R578 I579 | T571-S575 WeakPolarHBondContact O-CB 3.34Å; T571-S575 PolarHBondContact O-N 3.03Å; T571-S575 PolarHBondContact O-OG 3.15Å; E572-S575 WeakPolarHBondContact O-CB 3.37Å; E572-S575 PolarHBondContact O-N 3.21Å; S575-C577 VanDerWaalsContact C-N 3.34Å; S575-C577 PolarHBondContact O-N 3.49Å; S575-R578 PolarHBondContact O-N 3.34Å; S575-I579 WeakPolarHBondContact O-CD1 3.32Å; S575-I579 WeakPolarHBondContact O-CG1 3.5Å; S575-I579 PolarHBondContact O-N 3.25Å |
| 576 | N | 93.9 | Very high | 95 | Very high | 74 Ų | 74 | 44.6 Ų | 44.6 | 40% | 0.396 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 176.9 | -69.7 | -20.4 | 0 | 0 | 0 | 112 | E572 L573 F574 R578 I579 C580 | E572-N576 VanDerWaalsContact O-CG 3.29Å; E572-N576 PolarHBondContact O-N 3.45Å; E572-N576 PolarHBondContact O-ND2 3.03Å; L573-N576 PolarHBondContact O-N 2.98Å; F574-N576 PolarHBondContact O-N 2.84Å; N576-R578 VanDerWaalsContact C-N 3.32Å; N576-R578 PolarHBondContact O-N 3.47Å; N576-I579 PolarHBondContact O-N 3.39Å; N576-C580 PolarHBondContact O-N 3.45Å |
| 577 | C | 97.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.1 | -42.6 | 174.7 | -171 | 0 | 0 | 0 | 0 | 111.5 | P418 L573 F574 S575 I579 C580 Q583 T587 F590 | P418-C577 HydrophobicContact CB-CB 4.48Å; P418-C577 HydrophobicContact CG-CB 3.9Å; L573-C577 WeakPolarHBondContact O-CB 3.33Å; L573-C577 PolarHBondContact O-N 3.28Å; F574-C577 WeakPolarHBondContact O-CB 3.35Å; F574-C577 PolarHBondContact O-N 3.45Å; S575-C577 VanDerWaalsContact C-N 3.34Å; S575-C577 PolarHBondContact O-N 3.49Å; C577-I579 VanDerWaalsContact C-N 3.31Å; C577-I579 PolarHBondContact O-N 3.25Å; C577-C580 PolarHBondContact O-N 3.26Å; C577-Q583 PolarHBondContact SG-O 3.22Å; C577-T587 HydrophobicContact CB-CG2 4.33Å; C577-T587 VanDerWaalsContact SG-CG2 3.55Å; C577-F590 HydrophobicContact CB-CE2 3.85Å; C577-F590 HydrophobicContact CB-CZ 4.15Å |
| 578 | R | 93.5 | Very high | 95.2 | Very high | 53 Ų | 53 | 40.1 Ų | 40.1 | 20% | 0.2 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.8 | -24.8 | 178 | -74.2 | 175.2 | 64.9 | -150.7 | 18.8 | 114.6 | F574 S575 N576 L584 T587 E626 | F574-R578 VanDerWaalsContact CE1-CD 3.44Å; F574-R578 HydrophobicContact CE2-CG 4.35Å; F574-R578 VanDerWaalsContact CZ-CD 3.42Å; F574-R578 HydrophobicContact CZ-CG 4.27Å; F574-R578 PolarHBondContact O-N 3.3Å; S575-R578 PolarHBondContact O-N 3.34Å; N576-R578 VanDerWaalsContact C-N 3.32Å; N576-R578 PolarHBondContact O-N 3.47Å; R578-L584 VanDerWaalsContact O-CD2 3.29Å; R578-L584 WeakPolarHBondContact O-CD2 3.36Å; R578-T587 HydrophobicContact CG-CG2 4.06Å; R578-E626 IonicContact CZ-OE2 3.99Å; R578-E626 IonicContact NH1-OE2 2.7Å; R578-E626 PolarHBondContact NH1-OE2 3.12Å; R578-E626 PolarHBondContact NH2-O 3.25Å; R578-E626 IonicContact NH2-OE2 3.51Å; R578-E626 PolarHBondContact NH2-OE2 3.41Å |
| 579 | I | 90.7 | Very high | 95.4 | Very high | 135 Ų | 135 | 35.4 Ų | 35.4 | 69% | 0.692 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -85.5 | -20.8 | 179.8 | -63.2 | 162.2 | 0 | 0 | 0 | 111.3 | S575 N576 C577 P581 | S575-I579 WeakPolarHBondContact O-CD1 3.32Å; S575-I579 WeakPolarHBondContact O-CG1 3.5Å; S575-I579 PolarHBondContact O-N 3.25Å; N576-I579 PolarHBondContact O-N 3.39Å; C577-I579 VanDerWaalsContact C-N 3.31Å; C577-I579 PolarHBondContact O-N 3.25Å; I579-P581 WeakPolarHBondContact O-CD 3.45Å |
| 580 | C | 92 | Very high | 95.7 | Very high | 40 Ų | 40 | 34.3 Ų | 34.3 | 27% | 0.27 | 19% | 0.188 | S | C | . | . | trans | -96.8 | 108.2 | -178.9 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | N576 C577 A582 Q583 L584 | N576-C580 PolarHBondContact O-N 3.45Å; C577-C580 PolarHBondContact O-N 3.26Å; C580-A582 PolarHBondContact O-N 3.06Å; C580-A582 VanDerWaalsContact O-N 3.13Å; C580-Q583 HydrophobicContact CB-CB 4.09Å; C580-Q583 HydrophobicContact CB-CG 4.03Å; C580-Q583 PolarHBondContact O-N 3.48Å; C580-L584 PolarHBondContact O-N 3.24Å | ||
| 581 | P | 90.8 | Very high | 95.7 | Very high | 71 Ų | 71 | 34.3 Ų | 34.3 | 46% | 0.461 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -55.2 | -37.8 | -175.7 | -28.5 | 36.9 | 0 | 0 | 0 | 114 | I579 Q583 L584 F741 | I579-P581 WeakPolarHBondContact O-CD 3.45Å; P581-Q583 PolarHBondContact O-N 2.95Å; P581-L584 HydrophobicContact CB-CD1 4.48Å; P581-L584 PolarHBondContact O-N 3.46Å; P581-F741 HydrophobicContact CB-CD1 4.25Å; P581-F741 HydrophobicContact CB-CE1 3.82Å; P581-F741 WeakPolarHBondContact O-CE1 3.46Å |
| 582 | A | 90.3 | Very high | 95.8 | Very high | 53 Ų | 53 | 32.2 Ų | 32.2 | 44% | 0.438 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -68 | -14.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | C580 | C580-A582 PolarHBondContact O-N 3.06Å; C580-A582 VanDerWaalsContact O-N 3.13Å |
| 583 | Q | 96.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -106.2 | -10.5 | -178.1 | -62.1 | -64 | -67.5 | 0 | 0 | 113.6 | P415 C577 C580 P581 R585 F586 | P415-Q583 VanDerWaalsContact O-CG 3.31Å; P415-Q583 WeakPolarHBondContact O-CG 3.44Å; P415-Q583 PolarHBondContact O-OE1 3.43Å; C577-Q583 PolarHBondContact SG-O 3.22Å; C580-Q583 HydrophobicContact CB-CB 4.09Å; C580-Q583 HydrophobicContact CB-CG 4.03Å; C580-Q583 PolarHBondContact O-N 3.48Å; P581-Q583 PolarHBondContact O-N 2.95Å; Q583-R585 PolarHBondContact O-N 3.43Å; Q583-F586 HydrophobicContact CB-CD2 4.5Å; Q583-F586 WeakPolarHBondContact O-CB 3.41Å; Q583-F586 PolarHBondContact O-N 3.29Å |
| 584 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -50.8 | -38 | -177.1 | -69.3 | 176.7 | 0 | 0 | 0 | 113.6 | R578 C580 P581 F586 T587 Q745 L746 | R578-L584 VanDerWaalsContact O-CD2 3.29Å; R578-L584 WeakPolarHBondContact O-CD2 3.36Å; C580-L584 PolarHBondContact O-N 3.24Å; P581-L584 HydrophobicContact CB-CD1 4.48Å; P581-L584 PolarHBondContact O-N 3.46Å; L584-F586 PolarHBondContact O-N 3.35Å; L584-T587 WeakPolarHBondContact O-CB 3.24Å; L584-T587 VanDerWaalsContact O-CG2 3.28Å; L584-T587 WeakPolarHBondContact O-CG2 3.48Å; L584-T587 PolarHBondContact O-N 3.13Å; L584-T587 PolarHBondContact O-OG1 3.43Å; L584-Q745 HydrophobicContact CB-CB 3.54Å; L584-Q745 HydrophobicContact CB-CG 4.24Å; L584-Q745 HydrophobicContact CD1-CB 4.28Å; L584-L746 HydrophobicContact CB-CD2 4.08Å; L584-L746 HydrophobicContact CB-CG 4.19Å; L584-L746 HydrophobicContact CD1-CG 4.45Å; L584-L746 HydrophobicContact CD2-CD2 4.04Å; L584-L746 HydrophobicContact CD2-CG 4.37Å |
| 585 | R | 97.3 | Very high | 95.9 | Very high | 90 Ų | 90 | 29.6 Ų | 29.6 | 34% | 0.34 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -65 | -18.9 | -179.5 | 74.8 | 171.9 | 69.8 | -179.9 | 1.8 | 114.4 | Q583 Q745 Y748 S749 | Q583-R585 PolarHBondContact O-N 3.43Å; R585-Q745 VanDerWaalsContact CA-O 3.31Å; R585-Q745 WeakPolarHBondContact CA-O 3.44Å; R585-Q745 HydrophobicContact CB-CB 4.28Å; R585-Y748 HydrophobicContact CB-CD1 3.89Å; R585-S749 WeakPolarHBondContact O-CB 3.39Å; R585-S749 PolarHBondContact O-OG 3.09Å |
| 586 | F | 98.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -99.2 | 3.5 | -177.6 | -50.3 | -58.9 | 0 | 0 | 0 | 112.2 | P418 E419 F422 Q583 L584 I588 V589 | P418-F586 HydrophobicContact CB-CB 3.94Å; E419-F586 HydrophobicContact CB-CD2 3.78Å; E419-F586 HydrophobicContact CB-CE1 4.32Å; E419-F586 HydrophobicContact CB-CE2 3.57Å; E419-F586 HydrophobicContact CB-CG 4.28Å; E419-F586 HydrophobicContact CB-CZ 3.84Å; E419-F586 HydrophobicContact CG-CD2 4.44Å; E419-F586 HydrophobicContact CG-CE1 4Å; E419-F586 HydrophobicContact CG-CE2 3.82Å; E419-F586 HydrophobicContact CG-CZ 3.55Å; F422-F586 HydrophobicContact CB-CB 4.18Å; F422-F586 HydrophobicContact CB-CD1 3.66Å; F422-F586 HydrophobicContact CB-CE1 4.44Å; F422-F586 HydrophobicContact CB-CG 4.23Å; F422-F586 AromaticContact CD1-CD1 3.55Å; F422-F586 HydrophobicContact CD1-CD1 3.55Å; F422-F586 AromaticContact CD1-CE1 3.76Å; F422-F586 HydrophobicContact CD1-CE1 3.76Å; F422-F586 HydrophobicContact CD2-CB 4.5Å; F422-F586 AromaticContact CD2-CD1 3.95Å; F422-F586 HydrophobicContact CD2-CD1 3.95Å; F422-F586 HydrophobicContact CE1-CD1 4.1Å; F422-F586 HydrophobicContact CE1-CE1 4.16Å; F422-F586 HydrophobicContact CE2-CD1 4.46Å; F422-F586 HydrophobicContact CG-CB 4.46Å; F422-F586 AromaticContact CG-CD1 3.45Å; F422-F586 HydrophobicContact CG-CD1 3.45Å; F422-F586 VanDerWaalsContact CG-CD1 3.45Å; F422-F586 HydrophobicContact CG-CE1 4.14Å; F422-F586 HydrophobicContact CG-CG 4.37Å; Q583-F586 HydrophobicContact CB-CD2 4.5Å; Q583-F586 WeakPolarHBondContact O-CB 3.41Å; Q583-F586 PolarHBondContact O-N 3.29Å; L584-F586 PolarHBondContact O-N 3.35Å; F586-I588 PolarHBondContact O-N 2.88Å; F586-V589 VanDerWaalsContact O-CG1 3.27Å; F586-V589 WeakPolarHBondContact O-CG1 3.42Å; F586-V589 PolarHBondContact O-N 3.49Å |
| 587 | T | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.9 | -177.7 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | C577 R578 L584 V589 F590 P591 L746 S749 | C577-T587 HydrophobicContact CB-CG2 4.33Å; C577-T587 VanDerWaalsContact SG-CG2 3.55Å; R578-T587 HydrophobicContact CG-CG2 4.06Å; L584-T587 WeakPolarHBondContact O-CB 3.24Å; L584-T587 VanDerWaalsContact O-CG2 3.28Å; L584-T587 WeakPolarHBondContact O-CG2 3.48Å; L584-T587 PolarHBondContact O-N 3.13Å; L584-T587 PolarHBondContact O-OG1 3.43Å; T587-V589 PolarHBondContact O-N 3.27Å; T587-F590 WeakPolarHBondContact O-CD2 3.42Å; T587-F590 PolarHBondContact O-N 3.41Å; T587-P591 WeakPolarHBondContact O-CD 3.38Å; T587-L746 HydrophobicContact CG2-CD2 4.49Å; T587-S749 PolarHBondContact OG1-OG 3.45Å |
| 588 | I | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -19.9 | 177.7 | -162.4 | 65.7 | 0 | 0 | 0 | 113.8 | F422 F586 F590 P591 S592 S749 H752 H753 P765 | F422-I588 HydrophobicContact CD2-CG2 4.09Å; F422-I588 HydrophobicContact CE2-CG2 3.81Å; F586-I588 PolarHBondContact O-N 2.88Å; I588-F590 PolarHBondContact O-N 3.31Å; I588-P591 HydrophobicContact CD1-CG 4.41Å; I588-P591 VanDerWaalsContact O-CD 3.27Å; I588-P591 WeakPolarHBondContact O-CD 3.49Å; I588-S592 PolarHBondContact O-N 3.2Å; I588-S749 WeakPolarHBondContact CB-O 3.44Å; I588-S749 VanDerWaalsContact CB-OG 3.31Å; I588-S749 WeakPolarHBondContact CB-OG 3.47Å; I588-S749 WeakPolarHBondContact CG1-O 3.4Å; I588-S749 PolarHBondContact N-OG 2.99Å; I588-H752 HydrophobicContact CG1-CB 4.44Å; I588-H752 HydrophobicContact CG2-CB 3.91Å; I588-H753 HydrophobicContact CG1-CB 4.41Å; I588-P765 HydrophobicContact CD1-CB 4.48Å; I588-P765 HydrophobicContact CD1-CG 4.16Å |
| 589 | V | 98 | Very high | 95.9 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.2 | -27.5 | -179.5 | 79.4 | 0 | 0 | 0 | 0 | 112.3 | L421 D425 F586 T587 S592 I593 | L421-V589 HydrophobicContact CB-CB 4.47Å; L421-V589 HydrophobicContact CB-CG1 4.11Å; L421-V589 HydrophobicContact CB-CG2 3.66Å; L421-V589 HydrophobicContact CD1-CG1 4.43Å; D425-V589 HydrophobicContact CB-CG2 4.43Å; F586-V589 VanDerWaalsContact O-CG1 3.27Å; F586-V589 WeakPolarHBondContact O-CG1 3.42Å; F586-V589 PolarHBondContact O-N 3.49Å; T587-V589 PolarHBondContact O-N 3.27Å; V589-S592 PolarHBondContact O-N 3.47Å; V589-I593 HydrophobicContact CG2-CD1 4.2Å; V589-I593 HydrophobicContact CG2-CG1 4.41Å; V589-I593 VanDerWaalsContact O-CG1 3.25Å; V589-I593 WeakPolarHBondContact O-CG1 3.49Å; V589-I593 PolarHBondContact O-N 3.23Å |
| 590 | F | 98.5 | Very high | 96 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69 | -51.4 | 179.5 | -63.2 | -94.2 | 0 | 0 | 0 | 111.8 | P418 F570 L573 F574 C577 T587 I588 S592 I593 C594 F623 | P418-F590 HydrophobicContact CB-CE2 4.25Å; P418-F590 HydrophobicContact CG-CE2 4.28Å; P418-F590 HydrophobicContact CG-CZ 4.17Å; F570-F590 AromaticContact CD2-CD1 3.7Å; F570-F590 HydrophobicContact CD2-CD1 3.7Å; F570-F590 HydrophobicContact CD2-CE1 4.15Å; F570-F590 HydrophobicContact CE2-CB 4.23Å; F570-F590 AromaticContact CE2-CD1 3.38Å; F570-F590 HydrophobicContact CE2-CD1 3.38Å; F570-F590 HydrophobicContact CE2-CE1 4.15Å; F570-F590 HydrophobicContact CE2-CG 4.21Å; F570-F590 HydrophobicContact CZ-CB 4.38Å; F570-F590 HydrophobicContact CZ-CD1 4.3Å; F570-F590 WeakPolarHBondContact CZ-O 3.47Å; L573-F590 HydrophobicContact CB-CE1 3.68Å; L573-F590 HydrophobicContact CB-CZ 4.03Å; F574-F590 HydrophobicContact CB-CD1 3.64Å; F574-F590 HydrophobicContact CB-CD2 4.36Å; F574-F590 HydrophobicContact CB-CE1 3.83Å; F574-F590 HydrophobicContact CB-CE2 4.49Å; F574-F590 HydrophobicContact CB-CG 3.94Å; F574-F590 HydrophobicContact CB-CZ 4.25Å; F574-F590 HydrophobicContact CD2-CB 3.86Å; F574-F590 HydrophobicContact CD2-CD1 4.3Å; F574-F590 AromaticContact CD2-CD2 3.71Å; F574-F590 HydrophobicContact CD2-CD2 3.71Å; F574-F590 HydrophobicContact CD2-CE2 4.31Å; F574-F590 AromaticContact CD2-CG 3.7Å; F574-F590 HydrophobicContact CD2-CG 3.7Å; F574-F590 HydrophobicContact CG-CD1 4.44Å; F574-F590 HydrophobicContact CG-CG 4.27Å; C577-F590 HydrophobicContact CB-CE2 3.85Å; C577-F590 HydrophobicContact CB-CZ 4.15Å; T587-F590 WeakPolarHBondContact O-CD2 3.42Å; T587-F590 PolarHBondContact O-N 3.41Å; I588-F590 PolarHBondContact O-N 3.31Å; F590-S592 VanDerWaalsContact C-N 3.3Å; F590-S592 PolarHBondContact O-N 2.89Å; F590-I593 PolarHBondContact O-N 3.19Å; F590-C594 PolarHBondContact O-N 2.97Å; F590-C594 PolarHBondContact O-SG 3.21Å; F590-F623 HydrophobicContact CB-CD2 3.73Å; F590-F623 HydrophobicContact CB-CE2 3.84Å; F590-F623 HydrophobicContact CB-CG 4.24Å; F590-F623 HydrophobicContact CB-CZ 4.44Å |
| 591 | P | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -54.3 | -41.3 | 164.8 | -26.7 | 30.6 | 0 | 0 | 0 | 114.2 | T587 I588 C594 F623 I627 L756 | T587-P591 WeakPolarHBondContact O-CD 3.38Å; I588-P591 HydrophobicContact CD1-CG 4.41Å; I588-P591 VanDerWaalsContact O-CD 3.27Å; I588-P591 WeakPolarHBondContact O-CD 3.49Å; P591-C594 WeakPolarHBondContact O-CB 3.3Å; P591-C594 PolarHBondContact O-N 2.9Å; P591-F623 HydrophobicContact CG-CB 3.7Å; P591-I627 HydrophobicContact CG-CD1 4.17Å; P591-L756 HydrophobicContact CB-CD1 3.42Å; P591-L756 VanDerWaalsContact CB-CD1 3.42Å |
| 592 | S | 97.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 18 Ų | 18 | 3% | 0.028 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.9 | -46.2 | -179.3 | -175.6 | 0 | 0 | 0 | 0 | 112 | D425 I588 V589 F590 C594 S595 H753 | D425-S592 PolarHBondContact OD1-OG 2.99Å; D425-S592 WeakPolarHBondContact OD2-CB 3.5Å; D425-S592 PolarHBondContact OD2-OG 3.1Å; I588-S592 PolarHBondContact O-N 3.2Å; V589-S592 PolarHBondContact O-N 3.47Å; F590-S592 VanDerWaalsContact C-N 3.3Å; F590-S592 PolarHBondContact O-N 2.89Å; S592-C594 PolarHBondContact O-N 3.29Å; S592-S595 VanDerWaalsContact O-CB 3.3Å; S592-S595 WeakPolarHBondContact O-CB 3.44Å; S592-S595 PolarHBondContact O-N 2.91Å; S592-S595 PolarHBondContact O-OG 3.42Å; S592-H753 PolarHBondContact OG-NE2 3.28Å |
| 593 | I | 98.2 | Very high | 96.6 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.015 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.2 | -32.9 | 177.9 | -72 | 165 | 0 | 0 | 0 | 111.8 | L421 M560 F563 F570 V589 F590 S595 Q596 | L421-I593 HydrophobicContact CD1-CD1 4.13Å; L421-I593 HydrophobicContact CD2-CD1 4.36Å; M560-I593 HydrophobicContact CB-CD1 4.4Å; M560-I593 HydrophobicContact CB-CG1 4.05Å; M560-I593 HydrophobicContact CB-CG2 4.15Å; M560-I593 WeakPolarHBondContact O-CG2 3.35Å; F563-I593 HydrophobicContact CB-CG2 4Å; F563-I593 HydrophobicContact CD2-CD1 4.31Å; F563-I593 HydrophobicContact CD2-CG2 4.26Å; F563-I593 HydrophobicContact CE2-CD1 4.39Å; F563-I593 HydrophobicContact CG-CG2 4.39Å; F570-I593 HydrophobicContact CE1-CG2 4.49Å; F570-I593 HydrophobicContact CE2-CB 4.45Å; F570-I593 HydrophobicContact CE2-CD1 4.24Å; F570-I593 HydrophobicContact CE2-CG2 4.31Å; F570-I593 HydrophobicContact CZ-CB 3.98Å; F570-I593 HydrophobicContact CZ-CG2 3.82Å; V589-I593 HydrophobicContact CG2-CD1 4.2Å; V589-I593 HydrophobicContact CG2-CG1 4.41Å; V589-I593 VanDerWaalsContact O-CG1 3.25Å; V589-I593 WeakPolarHBondContact O-CG1 3.49Å; V589-I593 PolarHBondContact O-N 3.23Å; F590-I593 PolarHBondContact O-N 3.19Å; I593-S595 PolarHBondContact O-N 2.91Å; I593-Q596 WeakPolarHBondContact O-CB 3.27Å; I593-Q596 PolarHBondContact O-N 3.21Å |
| 594 | C | 98 | Very high | 96.5 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.7 | -28.2 | 175.8 | -64 | 0 | 0 | 0 | 0 | 112.9 | F590 P591 S592 Q596 A597 A616 C620 V758 | F590-C594 PolarHBondContact O-N 2.97Å; F590-C594 PolarHBondContact O-SG 3.21Å; P591-C594 WeakPolarHBondContact O-CB 3.3Å; P591-C594 PolarHBondContact O-N 2.9Å; S592-C594 PolarHBondContact O-N 3.29Å; C594-Q596 PolarHBondContact O-N 3.22Å; C594-A597 VanDerWaalsContact O-CB 3.24Å; C594-A597 WeakPolarHBondContact O-CB 3.49Å; C594-A597 PolarHBondContact O-N 3.19Å; C594-A616 HydrophobicContact CB-CB 4.42Å; C594-C620 HydrophobicContact CB-CB 3.76Å; C594-V758 HydrophobicContact CB-CG1 4.31Å; C594-V758 WeakPolarHBondContact O-CG1 3.31Å |
| 595 | S | 95.4 | Very high | 96.3 | Very high | 37 Ų | 37 | 25.1 Ų | 25.1 | 26% | 0.259 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.5 | 175.2 | 71.9 | 0 | 0 | 0 | 0 | 113.3 | S592 I593 L757 | S592-S595 VanDerWaalsContact O-CB 3.3Å; S592-S595 WeakPolarHBondContact O-CB 3.44Å; S592-S595 PolarHBondContact O-N 2.91Å; S592-S595 PolarHBondContact O-OG 3.42Å; I593-S595 PolarHBondContact O-N 2.91Å; S595-L757 WeakPolarHBondContact CB-O 3.44Å |
| 596 | Q | 94.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 3% | 0.028 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -8.3 | 180 | -55 | 175.6 | 22.4 | 0 | 0 | 112.3 | S561 I593 C594 I598 Q599 | S561-Q596 VanDerWaalsContact CB-O 3.3Å; S561-Q596 WeakPolarHBondContact CB-O 3.28Å; I593-Q596 WeakPolarHBondContact O-CB 3.27Å; I593-Q596 PolarHBondContact O-N 3.21Å; C594-Q596 PolarHBondContact O-N 3.22Å; Q596-I598 VanDerWaalsContact C-N 3.26Å; Q596-I598 PolarHBondContact O-N 3.06Å; Q596-I598 VanDerWaalsContact O-N 3.1Å; Q596-Q599 WeakPolarHBondContact O-CB 3.15Å; Q596-Q599 WeakPolarHBondContact O-CG 3.23Å; Q596-Q599 PolarHBondContact O-N 2.91Å |
| 597 | A | 95.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -54.6 | -37.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I564 C594 Q599 A600 I612 A616 | I564-A597 HydrophobicContact CD1-CB 4.39Å; I564-A597 HydrophobicContact CG2-CB 3.71Å; C594-A597 VanDerWaalsContact O-CB 3.24Å; C594-A597 WeakPolarHBondContact O-CB 3.49Å; C594-A597 PolarHBondContact O-N 3.19Å; A597-Q599 PolarHBondContact O-N 3.48Å; A597-A600 WeakPolarHBondContact O-CB 3.46Å; A597-A600 PolarHBondContact O-N 3.19Å; A597-I612 HydrophobicContact CB-CG2 4.08Å; A597-I612 WeakPolarHBondContact O-CG2 3.45Å; A597-A616 HydrophobicContact CB-CB 3.32Å |
| 598 | I | 95.1 | Very high | 95.3 | Very high | 44 Ų | 44 | 29.6 Ų | 29.6 | 23% | 0.226 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -70.1 | -16.7 | -179.6 | 61.1 | 167.4 | 0 | 0 | 0 | 113.1 | Q596 A600 C601 F759 | Q596-I598 VanDerWaalsContact C-N 3.26Å; Q596-I598 PolarHBondContact O-N 3.06Å; Q596-I598 VanDerWaalsContact O-N 3.1Å; I598-A600 PolarHBondContact O-N 3.21Å; I598-C601 VanDerWaalsContact O-CB 3.32Å; I598-C601 WeakPolarHBondContact O-CB 3.49Å; I598-C601 PolarHBondContact O-N 3.44Å; I598-C601 VanDerWaalsContact O-N 3.15Å; I598-F759 HydrophobicContact CG2-CB 4.29Å; I598-F759 HydrophobicContact CG2-CD2 3.86Å |
| 599 | Q | 93.5 | Very high | 95.1 | Very high | 63 Ų | 63 | 34.7 Ų | 34.7 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -70.9 | -18.6 | 176.4 | -58.9 | 178.5 | 1.1 | 0 | 0 | 112 | D559 Q596 A597 C601 | D559-Q599 PolarHBondContact OD1-OE1 2.79Å; Q596-Q599 WeakPolarHBondContact O-CB 3.15Å; Q596-Q599 WeakPolarHBondContact O-CG 3.23Å; Q596-Q599 PolarHBondContact O-N 2.91Å; A597-Q599 PolarHBondContact O-N 3.48Å; Q599-C601 VanDerWaalsContact C-N 3.26Å |
| 600 | A | 94.3 | Very high | 94.8 | Very high | 18 Ų | 18 | 37 Ų | 37 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -73.3 | -18.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R294 I564 F565 A597 I598 | R294-A600 PolarHBondContact NH2-O 3.17Å; I564-A600 HydrophobicContact CD1-CB 3.93Å; F565-A600 HydrophobicContact CE2-CB 3.68Å; F565-A600 HydrophobicContact CZ-CB 4Å; A597-A600 WeakPolarHBondContact O-CB 3.46Å; A597-A600 PolarHBondContact O-N 3.19Å; I598-A600 PolarHBondContact O-N 3.21Å |
| 601 | C | 95.8 | Very high | 94.4 | Very high | 23 Ų | 23 | 39.7 Ų | 39.7 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | trans | -79.1 | 154.9 | -175.8 | -58 | 0 | 0 | 0 | 0 | 111.4 | I598 Q599 E608 R609 | I598-C601 VanDerWaalsContact O-CB 3.32Å; I598-C601 WeakPolarHBondContact O-CB 3.49Å; I598-C601 PolarHBondContact O-N 3.44Å; I598-C601 VanDerWaalsContact O-N 3.15Å; Q599-C601 VanDerWaalsContact C-N 3.26Å; C601-E608 WeakPolarHBondContact CA-OE1 3.42Å; C601-R609 HydrophobicContact CB-CB 4.45Å | ||
| 602 | H | 95.6 | Very high | 94.2 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 11% | 0.106 | 22% | 0.215 | C | C | . | . | trans | -116.4 | 144.3 | 173.6 | -161.7 | -79.4 | 0 | 0 | 0 | 111.2 | D17 G21 T24 L604 C605 | D17-H602 PolarHBondContact O-NE2 2.59Å; D17-H602 IonicContact OD1-CE1 2.77Å; D17-H602 IonicContact OD1-NE2 2.72Å; G21-H602 VanDerWaalsContact CA-ND1 3.32Å; G21-H602 WeakPolarHBondContact CA-ND1 3.37Å; G21-H602 PolarHBondContact N-NE2 3.35Å; T24-H602 HydrophobicContact CG2-CB 4Å; H602-L604 PolarHBondContact ND1-N 2.9Å; H602-L604 PolarHBondContact O-N 2.9Å; H602-C605 CarbonylContact O-C 3.52Å; H602-C605 PolarHBondContact O-N 3.17Å | ||
| 603 | D | 94.3 | Very high | 94.1 | Very high | 151 Ų | 151 | 40.2 Ų | 40.2 | 81% | 0.807 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -29.5 | -177.5 | -69.8 | -22.2 | 0 | 0 | 0 | 113.3 | C605 | D603-C605 PolarHBondContact O-N 2.83Š|
| 604 | L | 93.1 | Very high | 94 | Very high | 53 Ų | 53 | 46.7 Ų | 46.7 | 28% | 0.277 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 0.9 | 172.6 | -64 | 178 | 0 | 0 | 0 | 114.7 | R25 H602 | R25-L604 WeakPolarHBondContact CD-O 3.21Å; R25-L604 WeakPolarHBondContact CG-O 3.22Å; H602-L604 PolarHBondContact ND1-N 2.9Å; H602-L604 PolarHBondContact O-N 2.9Å |
| 605 | C | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -135.2 | 68.8 | 171.8 | -166.6 | 0 | 0 | 0 | 0 | 110.4 | T24 R25 H602 D603 E607 E608 | T24-C605 HydrophobicContact CG2-CB 3.82Å; R25-C605 HydrophobicContact CG-CB 3.65Å; H602-C605 CarbonylContact O-C 3.52Å; H602-C605 PolarHBondContact O-N 3.17Å; D603-C605 PolarHBondContact O-N 2.83Å; C605-E607 VanDerWaalsContact C-OE2 3.26Å; C605-E607 WeakPolarHBondContact CA-OE2 3.41Å; C605-E607 PolarHBondContact O-N 3.24Å; C605-E607 PolarHBondContact SG-OE2 3.12Å; C605-E607 VanDerWaalsContact SG-OE2 3.35Å; C605-E608 HydrophobicContact CB-CG 4.39Å; C605-E608 WeakPolarHBondContact O-CG 3.3Å | ||
| 606 | P | 92.7 | Very high | 93.9 | Very high | 81 Ų | 81 | 48.8 Ų | 48.8 | 53% | 0.526 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.6 | -19.3 | -179.8 | 28 | -35.5 | 0 | 0 | 0 | 113.4 | E608 R609 | P606-E608 PolarHBondContact O-N 3.38Å; P606-R609 WeakPolarHBondContact O-CB 3.28Å; P606-R609 PolarHBondContact O-N 3.05Å |
| 607 | E | 88.3 | Confident | 94 | Very high | 108 Ų | 108 | 48.5 Ų | 48.5 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.8 | -41.8 | -176.6 | -57 | 83.9 | 176.6 | 0 | 0 | 112.1 | C605 S610 | C605-E607 VanDerWaalsContact C-OE2 3.26Å; C605-E607 WeakPolarHBondContact CA-OE2 3.41Å; C605-E607 PolarHBondContact O-N 3.24Å; C605-E607 PolarHBondContact SG-OE2 3.12Å; C605-E607 VanDerWaalsContact SG-OE2 3.35Å; E607-S610 PolarHBondContact O-OG 2.86Å |
| 608 | E | 91.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -74 | -26.6 | -179.4 | 66.5 | 174 | -172 | 0 | 0 | 112.8 | T24 R294 C601 C605 P606 S610 H611 I612 | T24-E608 WeakPolarHBondContact CG2-OE1 3.38Å; R294-E608 IonicContact CZ-OE1 3.11Å; R294-E608 IonicContact CZ-OE2 3.06Å; R294-E608 IonicContact NH1-OE1 3.89Å; R294-E608 IonicContact NH1-OE2 3.62Å; R294-E608 PolarHBondContact NH1-OE2 3.42Å; R294-E608 IonicContact NH2-OE1 2.69Å; R294-E608 PolarHBondContact NH2-OE1 2.71Å; R294-E608 IonicContact NH2-OE2 3.48Å; R294-E608 PolarHBondContact NH2-OE2 2.73Å; C601-E608 WeakPolarHBondContact CA-OE1 3.42Å; C605-E608 HydrophobicContact CB-CG 4.39Å; C605-E608 WeakPolarHBondContact O-CG 3.3Å; P606-E608 PolarHBondContact O-N 3.38Å; E608-S610 VanDerWaalsContact C-N 3.31Å; E608-S610 PolarHBondContact O-N 3.32Å; E608-H611 PolarHBondContact O-N 2.78Å; E608-I612 HydrophobicContact CB-CD1 4.07Å; E608-I612 HydrophobicContact CG-CD1 4.08Å; E608-I612 WeakPolarHBondContact O-CB 3.24Å; E608-I612 PolarHBondContact O-N 3.18Å |
| 609 | R | 93.8 | Very high | 94.2 | Very high | 106 Ų | 106 | 51.9 Ų | 51.9 | 40% | 0.4 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.2 | -44.9 | -173.8 | -175.5 | -177.5 | 172.6 | 86.5 | 1.1 | 111.8 | C601 P606 H611 G613 F759 | C601-R609 HydrophobicContact CB-CB 4.45Å; P606-R609 WeakPolarHBondContact O-CB 3.28Å; P606-R609 PolarHBondContact O-N 3.05Å; R609-H611 VanDerWaalsContact C-N 3.32Å; R609-H611 PolarHBondContact O-N 3.17Å; R609-G613 PolarHBondContact O-N 3.15Å; R609-F759 HydrophobicContact CG-CE2 4.28Å |
| 610 | S | 91.1 | Very high | 94.4 | Very high | 52 Ų | 52 | 48.9 Ų | 48.9 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.9 | -31.9 | 179.6 | 75.4 | 0 | 0 | 0 | 0 | 112.9 | E607 E608 R614 | E607-S610 PolarHBondContact O-OG 2.86Å; E608-S610 VanDerWaalsContact C-N 3.31Å; E608-S610 PolarHBondContact O-N 3.32Å; S610-R614 WeakPolarHBondContact O-CB 3.39Å; S610-R614 VanDerWaalsContact O-CG 3.28Å; S610-R614 WeakPolarHBondContact O-CG 3.29Å; S610-R614 PolarHBondContact O-N 3.29Å; S610-R614 PolarHBondContact O-NE 2.87Å |
| 611 | H | 90 | Very high | 94.6 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 26% | 0.259 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -77 | -51.6 | 179.7 | 175.5 | -89.7 | 0 | 0 | 0 | 110.6 | E608 R609 G613 N615 | E608-H611 PolarHBondContact O-N 2.78Å; R609-H611 VanDerWaalsContact C-N 3.32Å; R609-H611 PolarHBondContact O-N 3.17Å; H611-G613 PolarHBondContact O-N 3.41Å; H611-N615 PolarHBondContact CE1-ND2 2.99Å; H611-N615 PolarHBondContact ND1-ND2 3.21Å; H611-N615 PolarHBondContact NE2-ND2 3.17Å; H611-N615 WeakPolarHBondContact O-CB 3.41Å; H611-N615 PolarHBondContact O-N 3.43Å; H611-N615 PolarHBondContact O-ND2 3.49Å |
| 612 | I | 95.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.6 | -48.9 | 176.6 | -72.9 | 171.6 | 0 | 0 | 0 | 110.6 | I564 F565 A597 E608 R614 N615 A616 | I564-I612 HydrophobicContact CD1-CB 4.44Å; I564-I612 HydrophobicContact CD1-CD1 4.21Å; I564-I612 HydrophobicContact CD1-CG1 4.23Å; I564-I612 HydrophobicContact CD1-CG2 3.44Å; I564-I612 VanDerWaalsContact CD1-CG2 3.44Å; F565-I612 HydrophobicContact CE1-CD1 4.48Å; F565-I612 HydrophobicContact CZ-CD1 4.19Å; A597-I612 HydrophobicContact CB-CG2 4.08Å; A597-I612 WeakPolarHBondContact O-CG2 3.45Å; E608-I612 HydrophobicContact CB-CD1 4.07Å; E608-I612 HydrophobicContact CG-CD1 4.08Å; E608-I612 WeakPolarHBondContact O-CB 3.24Å; E608-I612 PolarHBondContact O-N 3.18Å; I612-R614 PolarHBondContact O-N 3.25Å; I612-N615 PolarHBondContact O-N 3.05Å; I612-A616 WeakPolarHBondContact O-CB 3.33Å; I612-A616 PolarHBondContact O-N 3.46Å |
| 613 | G | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.2 | -48.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R609 H611 N615 A616 A617 | R609-G613 PolarHBondContact O-N 3.15Å; H611-G613 PolarHBondContact O-N 3.41Å; G613-N615 PolarHBondContact O-N 3.49Å; G613-A616 PolarHBondContact O-N 2.92Å; G613-A617 PolarHBondContact O-N 3.33Å |
| 614 | R | 94.9 | Very high | 95 | Very high | 139 Ų | 139 | 46.9 Ų | 46.9 | 53% | 0.525 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 177.3 | -75.6 | -176.8 | -68.9 | 160.5 | -5.1 | 112.4 | S610 I612 A617 N618 F759 | S610-R614 WeakPolarHBondContact O-CB 3.39Å; S610-R614 VanDerWaalsContact O-CG 3.28Å; S610-R614 WeakPolarHBondContact O-CG 3.29Å; S610-R614 PolarHBondContact O-N 3.29Å; S610-R614 PolarHBondContact O-NE 2.87Å; I612-R614 PolarHBondContact O-N 3.25Å; R614-A617 PolarHBondContact O-N 2.92Å; R614-N618 WeakPolarHBondContact O-CB 3.35Å; R614-N618 PolarHBondContact O-N 3.32Å; R614-N618 PolarHBondContact O-ND2 2.85Å; R614-F759 HydrophobicContact CG-CE1 4.37Å |
| 615 | N | 94.2 | Very high | 95.2 | Very high | 78 Ų | 78 | 47.2 Ų | 47.2 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.5 | -41.7 | 178.3 | -71.5 | -10.1 | 0 | 0 | 0 | 111.5 | H611 I612 G613 N618 L619 | H611-N615 PolarHBondContact CE1-ND2 2.99Å; H611-N615 PolarHBondContact ND1-ND2 3.21Å; H611-N615 PolarHBondContact NE2-ND2 3.17Å; H611-N615 WeakPolarHBondContact O-CB 3.41Å; H611-N615 PolarHBondContact O-N 3.43Å; H611-N615 PolarHBondContact O-ND2 3.49Å; I612-N615 PolarHBondContact O-N 3.05Å; G613-N615 PolarHBondContact O-N 3.49Å; N615-N618 PolarHBondContact O-N 3.33Å; N615-L619 WeakPolarHBondContact O-CB 3.47Å; N615-L619 PolarHBondContact O-N 2.88Å |
| 616 | A | 97.6 | Very high | 95.4 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C594 A597 I612 G613 L619 C620 V758 | C594-A616 HydrophobicContact CB-CB 4.42Å; A597-A616 HydrophobicContact CB-CB 3.32Å; I612-A616 WeakPolarHBondContact O-CB 3.33Å; I612-A616 PolarHBondContact O-N 3.46Å; G613-A616 PolarHBondContact O-N 2.92Å; A616-L619 PolarHBondContact O-N 3.35Å; A616-C620 VanDerWaalsContact O-CB 3.31Å; A616-C620 WeakPolarHBondContact O-CB 3.31Å; A616-C620 PolarHBondContact O-N 3.38Å; A616-V758 HydrophobicContact CB-CG1 4.01Å |
| 617 | A | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G613 R614 C620 R621 V758 | G613-A617 PolarHBondContact O-N 3.33Å; R614-A617 PolarHBondContact O-N 2.92Å; A617-C620 PolarHBondContact O-N 2.89Å; A617-R621 WeakPolarHBondContact O-CG 3.28Å; A617-R621 PolarHBondContact O-N 3.5Å; A617-V758 HydrophobicContact CB-CG1 4.1Å |
| 618 | N | 97.1 | Very high | 96.1 | Very high | 81 Ų | 81 | 40.9 Ų | 40.9 | 43% | 0.433 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63 | -43.8 | 174.9 | -69.2 | -18.3 | 0 | 0 | 0 | 112.1 | R614 N615 R621 H622 | R614-N618 WeakPolarHBondContact O-CB 3.35Å; R614-N618 PolarHBondContact O-N 3.32Å; R614-N618 PolarHBondContact O-ND2 2.85Å; N615-N618 PolarHBondContact O-N 3.33Å; N618-R621 PolarHBondContact O-N 2.9Å; N618-R621 PolarHBondContact OD1-NH1 3.47Å; N618-R621 PolarHBondContact OD1-NH2 3.34Å; N618-R621 VanDerWaalsContact OD1-NH2 3.14Å; N618-H622 WeakPolarHBondContact O-CB 3.44Å; N618-H622 PolarHBondContact O-N 2.9Å |
| 619 | L | 97.2 | Very high | 96.4 | Very high | 36 Ų | 36 | 42.6 Ų | 42.6 | 19% | 0.188 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.6 | -40.6 | 178.8 | -171.7 | 62.9 | 0 | 0 | 0 | 111.9 | F570 N615 A616 H622 F623 | F570-L619 HydrophobicContact CD1-CD2 3.59Å; F570-L619 HydrophobicContact CE1-CD2 3.61Å; N615-L619 WeakPolarHBondContact O-CB 3.47Å; N615-L619 PolarHBondContact O-N 2.88Å; A616-L619 PolarHBondContact O-N 3.35Å; L619-H622 PolarHBondContact O-N 2.97Å; L619-F623 HydrophobicContact CD1-CE1 4Å; L619-F623 HydrophobicContact CD1-CE2 3.92Å; L619-F623 HydrophobicContact CD1-CZ 3.64Å; L619-F623 HydrophobicContact CD2-CE2 3.88Å; L619-F623 HydrophobicContact CD2-CZ 4.11Å; L619-F623 HydrophobicContact CG-CD2 4.06Å; L619-F623 HydrophobicContact CG-CE2 3.53Å; L619-F623 HydrophobicContact CG-CZ 3.79Å; L619-F623 WeakPolarHBondContact O-CD2 3.27Å; L619-F623 WeakPolarHBondContact O-CG 3.36Å; L619-F623 PolarHBondContact O-N 3.4Å |
| 620 | C | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.7 | -50.2 | 173.4 | -176 | 0 | 0 | 0 | 0 | 111.5 | C594 A616 A617 H622 F623 C624 V758 I763 | C594-C620 HydrophobicContact CB-CB 3.76Å; A616-C620 VanDerWaalsContact O-CB 3.31Å; A616-C620 WeakPolarHBondContact O-CB 3.31Å; A616-C620 PolarHBondContact O-N 3.38Å; A617-C620 PolarHBondContact O-N 2.89Å; C620-H622 VanDerWaalsContact C-N 3.31Å; C620-H622 PolarHBondContact O-N 3.25Å; C620-F623 PolarHBondContact O-N 2.81Å; C620-C624 PolarHBondContact O-N 3.2Å; C620-C624 PolarHBondContact O-SG 2.81Å; C620-C624 VanDerWaalsContact O-SG 3.4Å; C620-V758 HydrophobicContact CB-CG2 4.1Å; C620-I763 HydrophobicContact CB-CD1 3.73Å; C620-I763 VanDerWaalsContact SG-CD1 3.55Å |
| 621 | R | 97.6 | Very high | 96.9 | Very high | 85 Ų | 85 | 35.8 Ų | 35.8 | 32% | 0.321 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58.8 | -42.9 | 176.3 | -74.1 | -171.7 | -111.8 | 93.1 | 5.5 | 111.9 | A617 N618 C624 Q625 Q761 I763 | A617-R621 WeakPolarHBondContact O-CG 3.28Å; A617-R621 PolarHBondContact O-N 3.5Å; N618-R621 PolarHBondContact O-N 2.9Å; N618-R621 PolarHBondContact OD1-NH1 3.47Å; N618-R621 PolarHBondContact OD1-NH2 3.34Å; N618-R621 VanDerWaalsContact OD1-NH2 3.14Å; R621-C624 PolarHBondContact O-N 2.76Å; R621-Q625 WeakPolarHBondContact O-CB 3.45Å; R621-Q625 PolarHBondContact O-N 2.87Å; R621-Q761 VanDerWaalsContact CZ-OE1 3.27Å; R621-I763 HydrophobicContact CG-CD1 3.68Å; R621-I763 HydrophobicContact CG-CG1 4.1Å; R621-I763 HydrophobicContact CG-CG2 4.49Å |
| 622 | H | 97.5 | Very high | 97.3 | Very high | 83 Ų | 83 | 33.1 Ų | 33.1 | 38% | 0.384 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 176.6 | 176.8 | 56.7 | 0 | 0 | 0 | 112.3 | N618 L619 C620 C624 Q625 E626 | N618-H622 WeakPolarHBondContact O-CB 3.44Å; N618-H622 PolarHBondContact O-N 2.9Å; L619-H622 PolarHBondContact O-N 2.97Å; C620-H622 VanDerWaalsContact C-N 3.31Å; C620-H622 PolarHBondContact O-N 3.25Å; H622-C624 PolarHBondContact O-N 2.91Å; H622-Q625 PolarHBondContact O-N 2.89Å; H622-E626 VanDerWaalsContact CE1-CG 3.47Å; H622-E626 WeakPolarHBondContact CE1-CG 3.27Å; H622-E626 IonicContact CE1-OE1 3.81Å; H622-E626 PolarHBondContact CE1-OE1 3.4Å; H622-E626 WeakPolarHBondContact O-CG 3.23Å; H622-E626 PolarHBondContact O-N 3.3Å |
| 623 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 177.1 | -69.1 | -32.1 | 0 | 0 | 0 | 112.6 | F570 F574 F590 P591 L619 C620 E626 I627 | F570-F623 HydrophobicContact CD1-CE2 4.13Å; F570-F623 HydrophobicContact CD1-CZ 4.21Å; F570-F623 AromaticContact CE1-CE2 3.66Å; F570-F623 HydrophobicContact CE1-CE2 3.66Å; F570-F623 HydrophobicContact CE1-CZ 4.2Å; F570-F623 HydrophobicContact CE2-CE2 4.38Å; F570-F623 HydrophobicContact CG-CZ 4.46Å; F570-F623 AromaticContact CZ-CE2 3.79Å; F570-F623 HydrophobicContact CZ-CE2 3.79Å; F570-F623 HydrophobicContact CZ-CZ 4.46Å; F574-F623 HydrophobicContact CB-CD1 4.3Å; F574-F623 HydrophobicContact CB-CE1 3.8Å; F574-F623 HydrophobicContact CB-CZ 4.24Å; F574-F623 AromaticContact CD1-CD1 3.42Å; F574-F623 HydrophobicContact CD1-CD1 3.42Å; F574-F623 VanDerWaalsContact CD1-CD1 3.42Å; F574-F623 AromaticContact CD1-CE1 3.55Å; F574-F623 HydrophobicContact CD1-CE1 3.55Å; F574-F623 HydrophobicContact CD1-CG 4.49Å; F574-F623 AromaticContact CD2-CD1 3.98Å; F574-F623 HydrophobicContact CD2-CD1 3.98Å; F574-F623 HydrophobicContact CD2-CE1 4.32Å; F574-F623 HydrophobicContact CD2-CG 4.37Å; F574-F623 AromaticContact CE1-CD1 3.53Å; F574-F623 HydrophobicContact CE1-CD1 3.53Å; F574-F623 HydrophobicContact CE1-CE1 4.14Å; F574-F623 HydrophobicContact CE1-CG 4.43Å; F574-F623 HydrophobicContact CE2-CB 4.18Å; F574-F623 HydrophobicContact CE2-CD1 4.07Å; F574-F623 HydrophobicContact CE2-CG 4.31Å; F574-F623 AromaticContact CG-CD1 3.63Å; F574-F623 HydrophobicContact CG-CD1 3.63Å; F574-F623 AromaticContact CG-CE1 3.63Å; F574-F623 HydrophobicContact CG-CE1 3.63Å; F574-F623 HydrophobicContact CG-CG 4.43Å; F574-F623 HydrophobicContact CG-CZ 4.42Å; F574-F623 HydrophobicContact CZ-CB 4.09Å; F574-F623 AromaticContact CZ-CD1 3.84Å; F574-F623 HydrophobicContact CZ-CD1 3.84Å; F574-F623 HydrophobicContact CZ-CG 4.31Å; F590-F623 HydrophobicContact CB-CD2 3.73Å; F590-F623 HydrophobicContact CB-CE2 3.84Å; F590-F623 HydrophobicContact CB-CG 4.24Å; F590-F623 HydrophobicContact CB-CZ 4.44Å; P591-F623 HydrophobicContact CG-CB 3.7Å; L619-F623 HydrophobicContact CD1-CE1 4Å; L619-F623 HydrophobicContact CD1-CE2 3.92Å; L619-F623 HydrophobicContact CD1-CZ 3.64Å; L619-F623 HydrophobicContact CD2-CE2 3.88Å; L619-F623 HydrophobicContact CD2-CZ 4.11Å; L619-F623 HydrophobicContact CG-CD2 4.06Å; L619-F623 HydrophobicContact CG-CE2 3.53Å; L619-F623 HydrophobicContact CG-CZ 3.79Å; L619-F623 WeakPolarHBondContact O-CD2 3.27Å; L619-F623 WeakPolarHBondContact O-CG 3.36Å; L619-F623 PolarHBondContact O-N 3.4Å; C620-F623 PolarHBondContact O-N 2.81Å; F623-E626 PolarHBondContact O-N 3.42Å; F623-I627 VanDerWaalsContact O-CG1 3.27Å; F623-I627 WeakPolarHBondContact O-CG1 3.31Å; F623-I627 PolarHBondContact O-N 3.1Å |
| 624 | C | 98.4 | Very high | 97.3 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 175 | -70.7 | 0 | 0 | 0 | 0 | 112 | C620 R621 H622 I627 A628 I768 | C620-C624 PolarHBondContact O-N 3.2Å; C620-C624 PolarHBondContact O-SG 2.81Å; C620-C624 VanDerWaalsContact O-SG 3.4Å; R621-C624 PolarHBondContact O-N 2.76Å; H622-C624 PolarHBondContact O-N 2.91Å; C624-I627 PolarHBondContact O-N 2.9Å; C624-A628 PolarHBondContact O-N 3.42Å; C624-I768 HydrophobicContact CB-CD1 3.6Å |
| 625 | Q | 98.3 | Very high | 97.4 | Very high | 61 Ų | 61 | 32.6 Ų | 32.6 | 29% | 0.285 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 175.7 | -174.8 | 64.9 | 43.3 | 0 | 0 | 111.3 | R621 H622 I627 A628 D629 E772 | R621-Q625 WeakPolarHBondContact O-CB 3.45Å; R621-Q625 PolarHBondContact O-N 2.87Å; H622-Q625 PolarHBondContact O-N 2.89Å; Q625-I627 VanDerWaalsContact C-N 3.26Å; Q625-I627 PolarHBondContact O-N 3.39Å; Q625-A628 CarbonylContact O-C 3.33Å; Q625-A628 WeakPolarHBondContact O-CA 3.33Å; Q625-A628 WeakPolarHBondContact O-CB 3.47Å; Q625-A628 PolarHBondContact O-N 3.23Å; Q625-D629 PolarHBondContact NE2-OD1 3.41Å; Q625-D629 PolarHBondContact O-N 3.05Å; Q625-E772 VanDerWaalsContact NE2-CD 3.3Å; Q625-E772 PolarHBondContact NE2-OE2 2.93Å |
| 626 | E | 98.2 | Very high | 97.5 | Very high | 52 Ų | 52 | 31 Ų | 31 | 24% | 0.243 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.5 | -29 | 179.3 | -73.7 | -73.2 | 143.5 | 0 | 0 | 113.2 | F574 R578 H622 F623 N630 | F574-E626 HydrophobicContact CE1-CB 3.68Å; F574-E626 HydrophobicContact CE1-CG 4.17Å; F574-E626 HydrophobicContact CZ-CB 3.77Å; R578-E626 IonicContact CZ-OE2 3.99Å; R578-E626 IonicContact NH1-OE2 2.7Å; R578-E626 PolarHBondContact NH1-OE2 3.12Å; R578-E626 PolarHBondContact NH2-O 3.25Å; R578-E626 IonicContact NH2-OE2 3.51Å; R578-E626 PolarHBondContact NH2-OE2 3.41Å; H622-E626 VanDerWaalsContact CE1-CG 3.47Å; H622-E626 WeakPolarHBondContact CE1-CG 3.27Å; H622-E626 IonicContact CE1-OE1 3.81Å; H622-E626 PolarHBondContact CE1-OE1 3.4Å; H622-E626 WeakPolarHBondContact O-CG 3.23Å; H622-E626 PolarHBondContact O-N 3.3Å; F623-E626 PolarHBondContact O-N 3.42Å; E626-N630 WeakPolarHBondContact O-CB 3.17Å; E626-N630 PolarHBondContact O-N 2.78Å |
| 627 | I | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.4 | -48 | 170.3 | -68.3 | 165.8 | 0 | 0 | 0 | 109.6 | F574 P591 F623 C624 Q625 D629 N630 I631 L746 V750 | F574-I627 HydrophobicContact CE2-CD1 4.26Å; F574-I627 HydrophobicContact CE2-CG1 4.06Å; F574-I627 HydrophobicContact CZ-CG1 4.11Å; P591-I627 HydrophobicContact CG-CD1 4.17Å; F623-I627 VanDerWaalsContact O-CG1 3.27Å; F623-I627 WeakPolarHBondContact O-CG1 3.31Å; F623-I627 PolarHBondContact O-N 3.1Å; C624-I627 PolarHBondContact O-N 2.9Å; Q625-I627 VanDerWaalsContact C-N 3.26Å; Q625-I627 PolarHBondContact O-N 3.39Å; I627-D629 VanDerWaalsContact C-N 3.34Å; I627-D629 PolarHBondContact O-N 3.21Å; I627-N630 PolarHBondContact O-N 3.12Å; I627-I631 HydrophobicContact CG2-CD1 4.11Å; I627-I631 WeakPolarHBondContact O-CG1 3.22Å; I627-I631 PolarHBondContact O-N 3.34Å; I627-L746 HydrophobicContact CG2-CD2 4.4Å; I627-V750 HydrophobicContact CG2-CG2 3.46Å; I627-V750 VanDerWaalsContact CG2-CG2 3.46Å |
| 628 | A | 98.2 | Very high | 97.1 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C624 Q625 N630 I631 C632 I768 L769 E772 | C624-A628 PolarHBondContact O-N 3.42Å; Q625-A628 CarbonylContact O-C 3.33Å; Q625-A628 WeakPolarHBondContact O-CA 3.33Å; Q625-A628 WeakPolarHBondContact O-CB 3.47Å; Q625-A628 PolarHBondContact O-N 3.23Å; A628-N630 VanDerWaalsContact C-N 3.29Å; A628-N630 PolarHBondContact O-N 3.41Å; A628-I631 PolarHBondContact O-N 3Å; A628-C632 WeakPolarHBondContact O-CB 3.48Å; A628-C632 PolarHBondContact O-N 3.16Å; A628-C632 PolarHBondContact O-SG 3.24Å; A628-I768 HydrophobicContact CB-CG2 4.16Å; A628-L769 HydrophobicContact CB-CB 4.27Å; A628-L769 HydrophobicContact CB-CD1 4.08Å; A628-E772 HydrophobicContact CB-CB 4.35Å |
| 629 | D | 98.1 | Very high | 97 | Very high | 38 Ų | 38 | 31.4 Ų | 31.4 | 20% | 0.203 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.4 | -38.6 | 176.6 | -68.6 | -25.4 | 0 | 0 | 0 | 112 | Q625 I627 C632 L633 R776 | Q625-D629 PolarHBondContact NE2-OD1 3.41Å; Q625-D629 PolarHBondContact O-N 3.05Å; I627-D629 VanDerWaalsContact C-N 3.34Å; I627-D629 PolarHBondContact O-N 3.21Å; D629-C632 PolarHBondContact O-N 3.04Å; D629-L633 PolarHBondContact O-N 2.86Å; D629-R776 IonicContact OD1-NH2 3.75Å; D629-R776 PolarHBondContact OD1-NH2 2.92Å |
| 630 | N | 96.7 | Very high | 96.8 | Very high | 16 Ų | 16 | 33.7 Ų | 33.7 | 9% | 0.086 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.6 | -39 | 178.8 | -154.6 | 9.3 | 0 | 0 | 0 | 111.1 | E626 I627 A628 C632 L633 Y634 L746 | E626-N630 WeakPolarHBondContact O-CB 3.17Å; E626-N630 PolarHBondContact O-N 2.78Å; I627-N630 PolarHBondContact O-N 3.12Å; A628-N630 VanDerWaalsContact C-N 3.29Å; A628-N630 PolarHBondContact O-N 3.41Å; N630-C632 VanDerWaalsContact C-N 3.33Å; N630-L633 WeakPolarHBondContact O-CB 3.32Å; N630-L633 PolarHBondContact O-N 3.3Å; N630-Y634 WeakPolarHBondContact O-CD2 3.49Å; N630-Y634 PolarHBondContact O-N 3.48Å; N630-Y634 VanDerWaalsContact O-N 3.14Å; N630-L746 HydrophobicContact CB-CD1 3.86Å |
| 631 | I | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.5 | -46.8 | 170.5 | -69.7 | 171.8 | 0 | 0 | 0 | 110 | I627 A628 L633 Y634 L635 L743 L746 V750 L769 | I627-I631 HydrophobicContact CG2-CD1 4.11Å; I627-I631 WeakPolarHBondContact O-CG1 3.22Å; I627-I631 PolarHBondContact O-N 3.34Å; A628-I631 PolarHBondContact O-N 3Å; I631-L633 VanDerWaalsContact C-N 3.32Å; I631-L633 PolarHBondContact O-N 3.06Å; I631-Y634 PolarHBondContact O-N 2.9Å; I631-L635 VanDerWaalsContact O-CB 3.31Å; I631-L635 WeakPolarHBondContact O-CB 3.2Å; I631-L635 PolarHBondContact O-N 2.65Å; I631-L743 HydrophobicContact CG2-CD1 3.79Å; I631-L746 HydrophobicContact CD1-CB 3.95Å; I631-L746 HydrophobicContact CG1-CB 3.45Å; I631-L746 VanDerWaalsContact CG1-CB 3.45Å; I631-L746 HydrophobicContact CG1-CD1 4.04Å; I631-L746 HydrophobicContact CG1-CG 4.34Å; I631-V750 HydrophobicContact CD1-CB 4.37Å; I631-V750 HydrophobicContact CD1-CG2 3.54Å; I631-L769 HydrophobicContact CB-CD1 3.81Å; I631-L769 HydrophobicContact CD1-CD1 4.11Å; I631-L769 HydrophobicContact CD1-CD2 3.86Å; I631-L769 HydrophobicContact CG2-CD1 3.53Å; I631-L769 HydrophobicContact CG2-CD2 4.15Å; I631-L769 HydrophobicContact CG2-CG 4.48Å |
| 632 | C | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.3 | -39.3 | 177.6 | -69.9 | 0 | 0 | 0 | 0 | 111.7 | A628 D629 N630 Y634 L635 F636 | A628-C632 WeakPolarHBondContact O-CB 3.48Å; A628-C632 PolarHBondContact O-N 3.16Å; A628-C632 PolarHBondContact O-SG 3.24Å; D629-C632 PolarHBondContact O-N 3.04Å; N630-C632 VanDerWaalsContact C-N 3.33Å; C632-Y634 PolarHBondContact O-N 2.93Å; C632-L635 PolarHBondContact O-N 3.5Å; C632-F636 HydrophobicContact CB-CD2 4.39Å; C632-F636 WeakPolarHBondContact O-CB 3.31Å; C632-F636 WeakPolarHBondContact O-CD2 3.38Å; C632-F636 PolarHBondContact O-N 3.11Å |
| 633 | L | 95.8 | Very high | 95.9 | Very high | 95 Ų | 95 | 29 Ų | 29 | 50% | 0.497 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -56.3 | -48.9 | 173.8 | 178.8 | 64.8 | 0 | 0 | 0 | 111.7 | D629 N630 I631 N637 | D629-L633 PolarHBondContact O-N 2.86Å; N630-L633 WeakPolarHBondContact O-CB 3.32Å; N630-L633 PolarHBondContact O-N 3.3Å; I631-L633 VanDerWaalsContact C-N 3.32Å; I631-L633 PolarHBondContact O-N 3.06Å; L633-N637 PolarHBondContact O-N 3.14Å; L633-N637 PolarHBondContact O-ND2 3.34Å |
| 634 | Y | 95.7 | Very high | 95.5 | Very high | 48 Ų | 48 | 32 Ų | 32 | 19% | 0.188 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 177.1 | -70.9 | -66.5 | 0 | 0 | 0 | 112.5 | N630 I631 C632 F636 N637 R638 T739 L746 | N630-Y634 WeakPolarHBondContact O-CD2 3.49Å; N630-Y634 PolarHBondContact O-N 3.48Å; N630-Y634 VanDerWaalsContact O-N 3.14Å; I631-Y634 PolarHBondContact O-N 2.9Å; C632-Y634 PolarHBondContact O-N 2.93Å; Y634-F636 PolarHBondContact O-N 2.8Å; Y634-N637 PolarHBondContact O-N 2.74Å; Y634-R638 WeakPolarHBondContact O-CG 3.3Å; Y634-R638 PolarHBondContact O-N 2.87Å; Y634-R638 VanDerWaalsContact O-N 3.08Å; Y634-T739 HydrophobicContact CD1-CG2 3.95Å; Y634-T739 WeakPolarHBondContact O-CG2 3.26Å; Y634-L746 HydrophobicContact CD2-CD1 3.79Å; Y634-L746 HydrophobicContact CE2-CD1 3.77Å |
| 635 | L | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 178.3 | 175.8 | 61.5 | 0 | 0 | 0 | 111.7 | I631 C632 R638 I639 I773 L815 L818 | I631-L635 VanDerWaalsContact O-CB 3.31Å; I631-L635 WeakPolarHBondContact O-CB 3.2Å; I631-L635 PolarHBondContact O-N 2.65Å; C632-L635 PolarHBondContact O-N 3.5Å; L635-R638 CarbonylContact O-C 3.29Å; L635-R638 WeakPolarHBondContact O-CA 3.41Å; L635-R638 WeakPolarHBondContact O-CB 3.47Å; L635-R638 PolarHBondContact O-N 3.32Å; L635-R638 VanDerWaalsContact O-N 3.09Å; L635-I639 HydrophobicContact CD1-CD1 4.36Å; L635-I639 HydrophobicContact CD1-CG1 4.45Å; L635-I639 HydrophobicContact CG-CD1 3.99Å; L635-I639 WeakPolarHBondContact O-CG1 3.46Å; L635-I639 PolarHBondContact O-N 3.2Å; L635-I773 HydrophobicContact CD2-CD1 3.99Å; L635-I773 HydrophobicContact CD2-CG1 3.92Å; L635-I773 HydrophobicContact CD2-CG2 4.17Å; L635-L815 HydrophobicContact CD1-CD2 4.36Å; L635-L815 HydrophobicContact CD2-CD2 3.96Å; L635-L818 HydrophobicContact CD1-CB 4.25Å; L635-L818 HydrophobicContact CD1-CD2 3.92Å; L635-L818 HydrophobicContact CD1-CG 4.48Å; L635-L818 HydrophobicContact CD2-CD2 3.73Å; L635-L818 HydrophobicContact CG-CD2 4.39Å |
| 636 | F | 95.8 | Very high | 94.6 | Very high | 45 Ų | 45 | 32.4 Ų | 32.4 | 20% | 0.197 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.6 | -31.2 | -177.5 | -82.4 | -108.6 | 0 | 0 | 0 | 112.4 | C632 Y634 R638 I639 D640 R776 I777 L780 | C632-F636 HydrophobicContact CB-CD2 4.39Å; C632-F636 WeakPolarHBondContact O-CB 3.31Å; C632-F636 WeakPolarHBondContact O-CD2 3.38Å; C632-F636 PolarHBondContact O-N 3.11Å; Y634-F636 PolarHBondContact O-N 2.8Å; F636-R638 VanDerWaalsContact C-N 3.31Å; F636-R638 PolarHBondContact O-N 3.38Å; F636-I639 HydrophobicContact CD1-CD1 4.45Å; F636-I639 HydrophobicContact CD2-CD1 4.27Å; F636-I639 HydrophobicContact CE2-CD1 4.38Å; F636-I639 HydrophobicContact CG-CD1 4.32Å; F636-I639 HydrophobicContact CZ-CD1 4.48Å; F636-I639 PolarHBondContact O-N 2.96Å; F636-D640 PolarHBondContact O-N 3.05Å; F636-R776 HydrophobicContact CE1-CB 3.98Å; F636-R776 HydrophobicContact CE2-CB 3.71Å; F636-R776 HydrophobicContact CZ-CB 3.24Å; F636-R776 HydrophobicContact CZ-CG 4.45Å; F636-I777 HydrophobicContact CZ-CG1 3.94Å; F636-L780 HydrophobicContact CD1-CD2 4.02Å; F636-L780 HydrophobicContact CE1-CB 3.99Å; F636-L780 HydrophobicContact CE1-CD2 3.68Å; F636-L780 HydrophobicContact CE1-CG 4.37Å |
| 637 | N | 94.2 | Very high | 94.2 | Very high | 72 Ų | 72 | 32.1 Ų | 32.1 | 39% | 0.385 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 166.4 | -69.2 | -16.8 | 0 | 0 | 0 | 111 | L633 Y634 D640 E641 T739 | L633-N637 PolarHBondContact O-N 3.14Å; L633-N637 PolarHBondContact O-ND2 3.34Å; Y634-N637 PolarHBondContact O-N 2.74Å; N637-D640 PolarHBondContact O-N 3.28Å; N637-E641 VanDerWaalsContact O-CG 3.28Å; N637-E641 WeakPolarHBondContact O-CG 3.46Å; N637-E641 PolarHBondContact O-N 3.39Å; N637-T739 HydrophobicContact CB-CG2 4Å |
| 638 | R | 93.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 34.5 Ų | 34.5 | 7% | 0.072 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 174.9 | -65.2 | 179.7 | 69.3 | 68.3 | -7.2 | 112.7 | Y634 L635 F636 D640 E641 F642 T739 D817 | Y634-R638 WeakPolarHBondContact O-CG 3.3Å; Y634-R638 PolarHBondContact O-N 2.87Å; Y634-R638 VanDerWaalsContact O-N 3.08Å; L635-R638 CarbonylContact O-C 3.29Å; L635-R638 WeakPolarHBondContact O-CA 3.41Å; L635-R638 WeakPolarHBondContact O-CB 3.47Å; L635-R638 PolarHBondContact O-N 3.32Å; L635-R638 VanDerWaalsContact O-N 3.09Å; F636-R638 VanDerWaalsContact C-N 3.31Å; F636-R638 PolarHBondContact O-N 3.38Å; R638-D640 VanDerWaalsContact C-N 3.3Å; R638-D640 PolarHBondContact O-N 2.79Å; R638-E641 PolarHBondContact O-N 2.96Å; R638-F642 WeakPolarHBondContact O-CB 3.35Å; R638-F642 WeakPolarHBondContact O-CD2 3.42Å; R638-F642 PolarHBondContact O-N 3.02Å; R638-T739 HydrophobicContact CG-CG2 3.48Å; R638-T739 VanDerWaalsContact CG-CG2 3.48Å; R638-D817 IonicContact CZ-OD2 3.78Å; R638-D817 IonicContact NE-OD2 2.8Å; R638-D817 IonicContact NH2-OD2 2.72Å; R638-D817 PolarHBondContact NH2-OD2 3.38Å |
| 639 | I | 95.3 | Very high | 93 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60 | -44.3 | 176.4 | -71.1 | 165.9 | 0 | 0 | 0 | 109.9 | L635 F636 F642 G643 L780 L811 A814 | L635-I639 HydrophobicContact CD1-CD1 4.36Å; L635-I639 HydrophobicContact CD1-CG1 4.45Å; L635-I639 HydrophobicContact CG-CD1 3.99Å; L635-I639 WeakPolarHBondContact O-CG1 3.46Å; L635-I639 PolarHBondContact O-N 3.2Å; F636-I639 HydrophobicContact CD1-CD1 4.45Å; F636-I639 HydrophobicContact CD2-CD1 4.27Å; F636-I639 HydrophobicContact CE2-CD1 4.38Å; F636-I639 HydrophobicContact CG-CD1 4.32Å; F636-I639 HydrophobicContact CZ-CD1 4.48Å; F636-I639 PolarHBondContact O-N 2.96Å; I639-F642 PolarHBondContact O-N 2.93Å; I639-G643 PolarHBondContact O-N 3.38Å; I639-L780 HydrophobicContact CG2-CD2 3.91Å; I639-L811 HydrophobicContact CD1-CG 4.28Å; I639-L811 HydrophobicContact CG1-CG 4.47Å; I639-L811 HydrophobicContact CG2-CB 3.97Å; I639-L811 HydrophobicContact CG2-CD1 4.19Å; I639-L811 HydrophobicContact CG2-CG 4.01Å; I639-A814 HydrophobicContact CG1-CB 3.69Å |
| 640 | D | 93 | Very high | 92.4 | Very high | 84 Ų | 84 | 38.8 Ų | 38.8 | 45% | 0.449 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.2 | -45.8 | 175.7 | -173.4 | 58.6 | 0 | 0 | 0 | 112 | F636 N637 R638 F642 G643 N644 R807 | F636-D640 PolarHBondContact O-N 3.05Å; N637-D640 PolarHBondContact O-N 3.28Å; R638-D640 VanDerWaalsContact C-N 3.3Å; R638-D640 PolarHBondContact O-N 2.79Å; D640-F642 PolarHBondContact O-N 3.3Å; D640-G643 CarbonylContact O-C 3.59Å; D640-G643 PolarHBondContact O-N 2.9Å; D640-G643 VanDerWaalsContact O-N 3.15Å; D640-N644 PolarHBondContact O-N 3.49Å; D640-N644 PolarHBondContact O-ND2 3.08Å; D640-N644 PolarHBondContact OD2-ND2 3.26Å; D640-R807 IonicContact OD1-NH1 3.29Å |
| 641 | E | 89.4 | Confident | 91.7 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.7 | -48.1 | 175.3 | -74 | 167.4 | -164.4 | 0 | 0 | 111.9 | N637 R638 G643 N644 M645 N736 | N637-E641 VanDerWaalsContact O-CG 3.28Å; N637-E641 WeakPolarHBondContact O-CG 3.46Å; N637-E641 PolarHBondContact O-N 3.39Å; R638-E641 PolarHBondContact O-N 2.96Å; E641-G643 VanDerWaalsContact C-N 3.28Å; E641-G643 PolarHBondContact O-N 3.4Å; E641-N644 PolarHBondContact O-N 3.04Å; E641-M645 WeakPolarHBondContact O-CG 3.48Å; E641-M645 PolarHBondContact O-N 2.88Å; E641-N736 PolarHBondContact OE1-OD1 3.42Å; E641-N736 PolarHBondContact OE2-ND2 2.88Å; E641-N736 PolarHBondContact OE2-OD1 3.18Å |
| 642 | F | 92 | Very high | 90.8 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 20% | 0.197 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -39.8 | 177.4 | -86.9 | -129.9 | 0 | 0 | 0 | 111.1 | R638 I639 D640 M645 A646 A810 N813 A814 | R638-F642 WeakPolarHBondContact O-CB 3.35Å; R638-F642 WeakPolarHBondContact O-CD2 3.42Å; R638-F642 PolarHBondContact O-N 3.02Å; I639-F642 PolarHBondContact O-N 2.93Å; D640-F642 PolarHBondContact O-N 3.3Å; F642-M645 HydrophobicContact CD2-CE 3.65Å; F642-M645 HydrophobicContact CE2-CE 4.09Å; F642-M645 HydrophobicContact CG-CE 4.14Å; F642-A646 VanDerWaalsContact O-CB 3.29Å; F642-A646 WeakPolarHBondContact O-CB 3.46Å; F642-A646 PolarHBondContact O-N 3.14Å; F642-A810 HydrophobicContact CB-CB 4.19Å; F642-N813 HydrophobicContact CD1-CB 3.97Å; F642-N813 HydrophobicContact CE1-CB 4.11Å; F642-A814 HydrophobicContact CD1-CB 4.05Å; F642-A814 HydrophobicContact CE1-CB 4.41Å; F642-A814 HydrophobicContact CG-CB 4.16Å |
| 643 | G | 92.5 | Very high | 90 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I639 D640 E641 A646 D647 | I639-G643 PolarHBondContact O-N 3.38Å; D640-G643 CarbonylContact O-C 3.59Å; D640-G643 PolarHBondContact O-N 2.9Å; D640-G643 VanDerWaalsContact O-N 3.15Å; E641-G643 VanDerWaalsContact C-N 3.28Å; E641-G643 PolarHBondContact O-N 3.4Å; G643-A646 PolarHBondContact O-N 2.96Å; G643-D647 PolarHBondContact O-N 2.84Å |
| 644 | N | 89.8 | Confident | 88.9 | Confident | 63 Ų | 63 | 48.2 Ų | 48.2 | 34% | 0.337 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 177.5 | -66.6 | -27.3 | 0 | 0 | 0 | 111.6 | D640 E641 A646 D647 Q648 R807 | D640-N644 PolarHBondContact O-N 3.49Å; D640-N644 PolarHBondContact O-ND2 3.08Å; D640-N644 PolarHBondContact OD2-ND2 3.26Å; E641-N644 PolarHBondContact O-N 3.04Å; N644-A646 VanDerWaalsContact C-N 3.34Å; N644-D647 PolarHBondContact O-N 3.29Å; N644-Q648 VanDerWaalsContact O-CG 3.3Å; N644-Q648 WeakPolarHBondContact O-CG 3.48Å; N644-Q648 PolarHBondContact O-N 3.26Å; N644-R807 PolarHBondContact OD1-NH1 3.34Å; N644-R807 PolarHBondContact OD1-NH2 3.49Å |
| 645 | M | 88 | Confident | 87.6 | Confident | 56 Ų | 56 | 48.6 Ų | 48.6 | 28% | 0.276 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 172.6 | -70.9 | -175.8 | -67.5 | 0 | 0 | 111.7 | E641 F642 D647 Q648 L649 | E641-M645 WeakPolarHBondContact O-CG 3.48Å; E641-M645 PolarHBondContact O-N 2.88Å; F642-M645 HydrophobicContact CD2-CE 3.65Å; F642-M645 HydrophobicContact CE2-CE 4.09Å; F642-M645 HydrophobicContact CG-CE 4.14Å; M645-D647 VanDerWaalsContact C-N 3.34Å; M645-D647 PolarHBondContact O-N 2.96Å; M645-Q648 WeakPolarHBondContact O-CB 3.4Å; M645-Q648 PolarHBondContact O-N 2.96Å; M645-L649 PolarHBondContact O-N 3.04Å |
| 646 | A | 90.6 | Very high | 86.4 | Confident | 18 Ų | 18 | 51.9 Ų | 51.9 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F642 G643 N644 Q648 L649 A650 R806 A810 | F642-A646 VanDerWaalsContact O-CB 3.29Å; F642-A646 WeakPolarHBondContact O-CB 3.46Å; F642-A646 PolarHBondContact O-N 3.14Å; G643-A646 PolarHBondContact O-N 2.96Å; N644-A646 VanDerWaalsContact C-N 3.34Å; A646-Q648 VanDerWaalsContact C-N 3.35Å; A646-Q648 PolarHBondContact O-N 3.33Å; A646-L649 PolarHBondContact O-N 3.4Å; A646-L649 VanDerWaalsContact O-N 3.12Å; A646-A650 PolarHBondContact O-N 2.99Å; A646-R806 HydrophobicContact CB-CG 3.81Å; A646-R806 WeakPolarHBondContact O-CD 3.17Å; A646-A810 HydrophobicContact CB-CB 3.95Å |
| 647 | D | 88.5 | Confident | 85.1 | Confident | 46 Ų | 46 | 54.7 Ų | 54.7 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.6 | -33.7 | 177.5 | -78.3 | -0.2 | 0 | 0 | 0 | 112.9 | G643 N644 M645 L649 A650 N653 R807 | G643-D647 PolarHBondContact O-N 2.84Å; N644-D647 PolarHBondContact O-N 3.29Å; M645-D647 VanDerWaalsContact C-N 3.34Å; M645-D647 PolarHBondContact O-N 2.96Å; D647-L649 PolarHBondContact O-N 2.94Å; D647-A650 WeakPolarHBondContact O-CB 3.11Å; D647-A650 PolarHBondContact O-N 3.04Å; D647-N653 PolarHBondContact O-ND2 3.49Å; D647-R807 IonicContact OD1-NE 3.32Å; D647-R807 PolarHBondContact OD1-NE 3.17Å; D647-R807 IonicContact OD2-CZ 3.69Å; D647-R807 IonicContact OD2-NE 2.79Å; D647-R807 PolarHBondContact OD2-NE 2.87Å; D647-R807 IonicContact OD2-NH2 3.72Å; D647-R807 PolarHBondContact OD2-NH2 2.75Å |
| 648 | Q | 86.6 | Confident | 83.8 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 24% | 0.238 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.6 | -29.2 | 172.4 | -69.4 | 164.6 | 16.9 | 0 | 0 | 112.8 | N644 M645 A646 A650 F719 P721 | N644-Q648 VanDerWaalsContact O-CG 3.3Å; N644-Q648 WeakPolarHBondContact O-CG 3.48Å; N644-Q648 PolarHBondContact O-N 3.26Å; M645-Q648 WeakPolarHBondContact O-CB 3.4Å; M645-Q648 PolarHBondContact O-N 2.96Å; A646-Q648 VanDerWaalsContact C-N 3.35Å; A646-Q648 PolarHBondContact O-N 3.33Å; Q648-A650 VanDerWaalsContact C-N 3.3Å; Q648-F719 HydrophobicContact CG-CD1 4.35Å; Q648-F719 HydrophobicContact CG-CE1 4.11Å; Q648-P721 HydrophobicContact CB-CG 4.22Å |
| 649 | L | 84.4 | Confident | 82.5 | Confident | 129 Ų | 129 | 60.4 Ų | 60.4 | 68% | 0.675 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 2.8 | 176.8 | -60.2 | 176.3 | 0 | 0 | 0 | 113.2 | M645 A646 D647 P721 | M645-L649 PolarHBondContact O-N 3.04Å; A646-L649 PolarHBondContact O-N 3.4Å; A646-L649 VanDerWaalsContact O-N 3.12Å; D647-L649 PolarHBondContact O-N 2.94Å; L649-P721 HydrophobicContact CD2-CB 3.86Å; L649-P721 HydrophobicContact CD2-CG 4.18Å |
| 650 | A | 85.8 | Confident | 80.7 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 2% | 0.017 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -65 | 141.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A646 D647 Q648 Q652 N653 | A646-A650 PolarHBondContact O-N 2.99Å; D647-A650 WeakPolarHBondContact O-CB 3.11Å; D647-A650 PolarHBondContact O-N 3.04Å; Q648-A650 VanDerWaalsContact C-N 3.3Å; A650-Q652 VanDerWaalsContact CB-CD 3.46Å; A650-Q652 HydrophobicContact CB-CG 4.25Å; A650-Q652 VanDerWaalsContact CB-OE1 3.31Å; A650-Q652 PolarHBondContact O-N 2.67Å; A650-Q652 VanDerWaalsContact O-N 3.12Å; A650-N653 WeakPolarHBondContact O-CB 3.45Å; A650-N653 PolarHBondContact O-N 3.16Å |
| 651 | P | 81.7 | Confident | 78.6 | Confident | 85 Ų | 85 | 69 Ų | 69 | 55% | 0.552 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -54.6 | -35.2 | -175.7 | -27.5 | 34.8 | 0 | 0 | 0 | 114.4 | N653 S654 | P651-N653 PolarHBondContact O-N 3.5Å; P651-S654 PolarHBondContact O-N 3.28Å; P651-S654 VanDerWaalsContact O-N 3.12Å; P651-S654 PolarHBondContact O-OG 3.11Å |
| 652 | Q | 79 | Confident | 76.5 | Confident | 88 Ų | 88 | 76.1 Ų | 76.1 | 41% | 0.411 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.8 | -31.5 | 176.4 | 59.2 | -92.5 | 39.3 | 0 | 0 | 113.2 | A650 S654 E803 | A650-Q652 VanDerWaalsContact CB-CD 3.46Å; A650-Q652 HydrophobicContact CB-CG 4.25Å; A650-Q652 VanDerWaalsContact CB-OE1 3.31Å; A650-Q652 PolarHBondContact O-N 2.67Å; A650-Q652 VanDerWaalsContact O-N 3.12Å; Q652-S654 VanDerWaalsContact C-N 3.32Å; Q652-E803 PolarHBondContact NE2-OE1 3Å; Q652-E803 VanDerWaalsContact NE2-OE1 3.11Å |
| 653 | N | 81.7 | Confident | 74.3 | Confident | 77 Ų | 77 | 79.8 Ų | 79.8 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -83.1 | -11.7 | -178.3 | -66.3 | -28.4 | 0 | 0 | 0 | 112.2 | D647 A650 P651 W657 | D647-N653 PolarHBondContact O-ND2 3.49Å; A650-N653 WeakPolarHBondContact O-CB 3.45Å; A650-N653 PolarHBondContact O-N 3.16Å; P651-N653 PolarHBondContact O-N 3.5Å; N653-W657 VanDerWaalsContact O-CD1 3.29Å; N653-W657 PolarHBondContact O-NE1 2.85Å |
| 654 | S | 72.7 | Confident | 72.1 | Confident | 59 Ų | 59 | 84.3 Ų | 84.3 | 41% | 0.413 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -86.4 | -21.1 | 173.5 | 77 | 0 | 0 | 0 | 0 | 113.1 | P651 Q652 W657 L658 | P651-S654 PolarHBondContact O-N 3.28Å; P651-S654 VanDerWaalsContact O-N 3.12Å; P651-S654 PolarHBondContact O-OG 3.11Å; Q652-S654 VanDerWaalsContact C-N 3.32Å; S654-W657 WeakPolarHBondContact O-CA 3.27Å; S654-W657 VanDerWaalsContact O-CB 3.25Å; S654-W657 WeakPolarHBondContact O-CB 3.44Å; S654-W657 PolarHBondContact O-N 3.37Å; S654-L658 PolarHBondContact O-N 3.32Å |
| 655 | V | 69.3 | Low | 69.8 | Low | 56 Ų | 56 | 91 Ų | 91 | 34% | 0.339 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -54.7 | -44.6 | -176.9 | 179.8 | 0 | 0 | 0 | 0 | 113.8 | W657 L658 I1273 | V655-W657 PolarHBondContact O-N 3.46Å; V655-W657 VanDerWaalsContact O-N 3.13Å; V655-L658 PolarHBondContact O-N 2.82Å; V655-L658 VanDerWaalsContact O-N 3.12Å; V655-I1273 HydrophobicContact CG1-CD1 4.42Å |
| 656 | P | 70.1 | Confident | 67.4 | Low | 68 Ų | 68 | 98.8 Ų | 98.8 | 44% | 0.442 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.9 | -24.8 | 177.4 | -23.6 | 35.1 | 0 | 0 | 0 | 113.7 | T659 | P656-T659 PolarHBondContact O-OG1 3.42Å |
| 657 | W | 69 | Low | 64.7 | Low | 105 Ų | 105 | 102.5 Ų | 102.5 | 40% | 0.398 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -78.6 | -27.6 | -179.9 | -58.6 | 86.7 | 0 | 0 | 0 | 112.5 | N653 S654 V655 T659 R718 V720 | N653-W657 VanDerWaalsContact O-CD1 3.29Å; N653-W657 PolarHBondContact O-NE1 2.85Å; S654-W657 WeakPolarHBondContact O-CA 3.27Å; S654-W657 VanDerWaalsContact O-CB 3.25Å; S654-W657 WeakPolarHBondContact O-CB 3.44Å; S654-W657 PolarHBondContact O-N 3.37Å; V655-W657 PolarHBondContact O-N 3.46Å; V655-W657 VanDerWaalsContact O-N 3.13Å; W657-T659 VanDerWaalsContact C-N 3.33Å; W657-R718 HydrophobicContact CH2-CB 4.4Å; W657-R718 HydrophobicContact CZ2-CB 4.41Å; W657-V720 HydrophobicContact CH2-CB 4.22Å; W657-V720 HydrophobicContact CH2-CG1 4.04Å; W657-V720 HydrophobicContact CH2-CG2 3.4Å; W657-V720 VanDerWaalsContact CH2-CG2 3.4Å; W657-V720 HydrophobicContact CZ2-CB 4.36Å; W657-V720 HydrophobicContact CZ2-CG1 4.22Å; W657-V720 HydrophobicContact CZ2-CG2 3.88Å; W657-V720 HydrophobicContact CZ3-CG2 4.41Å |
| 658 | L | 67.2 | Low | 62.2 | Low | 126 Ų | 126 | 109.8 Ų | 109.8 | 66% | 0.66 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.3 | -30 | 175.7 | -68.2 | 170.2 | 0 | 0 | 0 | 112.3 | S654 V655 | S654-L658 PolarHBondContact O-N 3.32Å; V655-L658 PolarHBondContact O-N 2.82Å; V655-L658 VanDerWaalsContact O-N 3.12Å |
| 659 | T | 65.6 | Low | 59.5 | Low | 84 Ų | 84 | 116.7 Ų | 116.7 | 52% | 0.515 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -77.8 | -23.5 | -177.8 | 43.3 | 0 | 0 | 0 | 0 | 114.3 | P656 W657 | P656-T659 PolarHBondContact O-OG1 3.42Å; W657-T659 VanDerWaalsContact C-N 3.33Å |
| 660 | D | 56.9 | Low | 57.1 | Low | 95 Ų | 95 | 115.8 Ų | 115.8 | 51% | 0.508 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -84.7 | -13.5 | -176.1 | -102.3 | 8.1 | 0 | 0 | 0 | 114 | K662 R718 | D660-K662 PolarHBondContact O-N 2.91Å; D660-R718 IonicContact OD2-CZ 2.7Å; D660-R718 IonicContact OD2-NH1 3.92Å; D660-R718 PolarHBondContact OD2-NH1 3.24Å; D660-R718 IonicContact OD2-NH2 3.74Å; D660-R718 PolarHBondContact OD2-NH2 3.45Å |
| 661 | E | 50.5 | Low | 54.6 | Low | 173 Ų | 173 | 122.7 Ų | 122.7 | 81% | 0.808 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 16.8 | 172.6 | -75.9 | -157.8 | 153.2 | 0 | 0 | 114 | P663 | E661-P663 WeakPolarHBondContact O-CD 3.37Š|
| 662 | K | 45.3 | Very low | 52.2 | Low | 172 Ų | 172 | 124.8 Ų | 124.8 | 75% | 0.748 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -66.3 | 120 | 162.9 | -75.2 | -174.4 | -178.8 | 176.7 | 0 | 108.1 | D660 A664 | D660-K662 PolarHBondContact O-N 2.91Å; K662-A664 PolarHBondContact O-N 3.21Å |
| 663 | P | 45.3 | Very low | 49.7 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 79% | 0.792 | 67% | 0.666 | S | S | * | * | trans | -61 | 100 | -171.4 | 22.7 | -32.7 | 0 | 0 | 0 | 110.6 | E661 K665 | E661-P663 WeakPolarHBondContact O-CD 3.37Å; P663-K665 PolarHBondContact O-N 2.84Å | ||
| 664 | A | 45.7 | Very low | 47.1 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 79% | 0.793 | 68% | 0.679 | S | S | * | * | trans | -61.5 | 112 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | K662 K666 | K662-A664 PolarHBondContact O-N 3.21Å; A664-K666 PolarHBondContact O-N 2.95Å | ||
| 665 | K | 41.2 | Very low | 44.9 | Very low | 202 Ų | 202 | 138.1 Ų | 138.1 | 88% | 0.878 | 70% | 0.703 | S | S | * | * | trans | -46.6 | 115.8 | 178.9 | -75.8 | 176.2 | 175.4 | 175 | 0 | 109.9 | P663 S667 | P663-K665 PolarHBondContact O-N 2.84Å; K665-S667 PolarHBondContact O-N 3.14Å | ||
| 666 | K | 37.8 | Very low | 43 | Very low | 220 Ų | 220 | 144.4 Ų | 144.4 | 96% | 0.957 | 73% | 0.729 | S | S | * | * | trans | -46.3 | 102.9 | 170.7 | -70.2 | 178.2 | 177.1 | 176.2 | 0 | 109.9 | A664 | A664-K666 PolarHBondContact O-N 2.95Š| ||
| 667 | S | 33.6 | Very low | 40.8 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | -144 | 130.4 | 166.1 | 110 | 0 | 0 | 0 | 0 | 109.1 | K665 | K665-S667 PolarHBondContact O-N 3.14Š| ||
| 668 | K | 36.2 | Very low | 38.9 | Very low | 199 Ų | 199 | 149.5 Ų | 149.5 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | trans | 88.8 | 94.8 | 177.7 | -58.1 | -177.5 | 179.8 | 179 | 0 | 115.3 | ||||
| 669 | K | 30.8 | Very low | 36.9 | Very low | 196 Ų | 196 | 151.4 Ų | 151.4 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | -48 | 134.8 | 160.5 | -76.2 | 177.7 | 172.8 | 178.8 | 0 | 109.8 | I671 | K669-I671 PolarHBondContact O-N 3.32Š| ||
| 670 | P | 34.2 | Very low | 35 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | trans | -71.6 | 120.9 | 175.9 | 28.9 | -30.6 | 0 | 0 | 0 | 108.9 | I672 | P670-I672 PolarHBondContact O-N 2.83Å; P670-I672 VanDerWaalsContact O-N 3.16Å | ||
| 671 | I | 32.1 | Very low | 33.6 | Very low | 146 Ų | 146 | 152.7 Ų | 152.7 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | -76.1 | 99.9 | 164.2 | -62.5 | 173.5 | 0 | 0 | 0 | 105.5 | K669 N673 | K669-I671 PolarHBondContact O-N 3.32Å; I671-N673 VanDerWaalsContact C-N 3.33Å; I671-N673 PolarHBondContact O-N 2.89Å | ||
| 672 | I | 31.7 | Very low | 32.4 | Very low | 129 Ų | 129 | 152.4 Ų | 152.4 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | trans | -69.9 | 92.6 | 172.4 | -60.9 | 170.6 | 0 | 0 | 0 | 106.7 | P670 T674 | P670-I672 PolarHBondContact O-N 2.83Å; P670-I672 VanDerWaalsContact O-N 3.16Å; I672-T674 VanDerWaalsContact C-N 3.25Å; I672-T674 HydrophobicContact CG2-CG2 3.9Å; I672-T674 PolarHBondContact O-N 3.38Å; I672-T674 VanDerWaalsContact O-N 3.12Å | ||
| 673 | N | 27 | Very low | 31.5 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -82 | 77.9 | 166.7 | -89 | -8.6 | 0 | 0 | 0 | 108.9 | I671 R675 | I671-N673 VanDerWaalsContact C-N 3.33Å; I671-N673 PolarHBondContact O-N 2.89Å; N673-R675 PolarHBondContact O-N 2.72Å | ||
| 674 | T | 27.4 | Very low | 30.7 | Very low | 112 Ų | 112 | 150 Ų | 150 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | trans | -70.6 | 100.8 | 160.3 | 27.3 | 0 | 0 | 0 | 0 | 108.4 | I672 | I672-T674 VanDerWaalsContact C-N 3.25Å; I672-T674 HydrophobicContact CG2-CG2 3.9Å; I672-T674 PolarHBondContact O-N 3.38Å; I672-T674 VanDerWaalsContact O-N 3.12Å | ||
| 675 | R | 26.5 | Very low | 29.6 | Very low | 241 Ų | 241 | 149.4 Ų | 149.4 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | 166.6 | 87.1 | 151.5 | -93.4 | 161.1 | -172.6 | -161.8 | 3.9 | 109.8 | N673 | N673-R675 PolarHBondContact O-N 2.72Š| ||
| 676 | Q | 28.1 | Very low | 28.8 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -133 | 96.4 | 147.2 | -76.8 | -169.1 | -16 | 0 | 0 | 108.1 | V678 | Q676-V678 PolarHBondContact O-N 2.84Š| ||
| 677 | N | 25.4 | Very low | 28.3 | Very low | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -58.3 | 113.9 | 159.8 | -85.7 | -27.5 | 0 | 0 | 0 | 107.9 | ||||
| 678 | V | 29.2 | Very low | 28.1 | Very low | 119 Ų | 119 | 143 Ų | 143 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -122.3 | 74.6 | 157.2 | -172.9 | 0 | 0 | 0 | 0 | 106.8 | Q676 | Q676-V678 PolarHBondContact O-N 2.84Š| ||
| 679 | N | 24.3 | Very low | 27.5 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -79.3 | 114.7 | 153.2 | -93.9 | -3.8 | 0 | 0 | 0 | 106.7 | ||||
| 680 | G | 25.6 | Very low | 27.3 | Very low | 50 Ų | 50 | 140.3 Ų | 140.3 | 52% | 0.515 | 79% | 0.789 | S | S | . | * | trans | 140.3 | 116.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 681 | I | 28.8 | Very low | 27.1 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | cis | -153.2 | 117 | 34.3 | -76.3 | 151.6 | 0 | 0 | 0 | 106 | N683 | I681-N683 HydrophobicContact CG2-CB 4.19Š| ||
| 682 | I | 23.4 | Very low | 26.8 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 86% | 0.862 | 81% | 0.805 | S | S | * | * | trans | -79.5 | 108.4 | 157.5 | -64.5 | 168.1 | 0 | 0 | 0 | 104.5 | ||||
| 683 | N | 26.9 | Very low | 26.7 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 78% | 0.775 | 81% | 0.814 | S | S | * | * | trans | -171.6 | 137.5 | 156.7 | -99.5 | -18 | 0 | 0 | 0 | 112.7 | I681 | I681-N683 HydrophobicContact CG2-CB 4.19Š| ||
| 684 | A | 29.9 | Very low | 26.6 | Very low | 99 Ų | 99 | 150.1 Ų | 150.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | 68.6 | 110.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 685 | G | 22.5 | Very low | 26.7 | Very low | 82 Ų | 82 | 150.5 Ų | 150.5 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | cis | 75.1 | 87.3 | 28.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 686 | G | 23.1 | Very low | 26.6 | Very low | 75 Ų | 75 | 147.1 Ų | 147.1 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | 110.3 | 99.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 687 | I | 28.5 | Very low | 26.5 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -130.3 | 123.8 | 155.7 | -64.7 | -177.7 | 0 | 0 | 0 | 109.1 | ||||
| 688 | D | 28.3 | Very low | 26.5 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -54.4 | 130 | -173.7 | -78.2 | -64.2 | 0 | 0 | 0 | 116.2 | R690 | D688-R690 PolarHBondContact O-N 3.27Š| ||
| 689 | S | 23.6 | Very low | 26.3 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -71.4 | 76.1 | 164.8 | -43.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 690 | R | 27.2 | Very low | 26.3 | Very low | 215 Ų | 215 | 138 Ų | 138 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -147.5 | 99.2 | 165.6 | -67.5 | -171.9 | -156.4 | 171 | 9.3 | 112.7 | D688 | D688-R690 PolarHBondContact O-N 3.27Š| ||
| 691 | K | 30.3 | Very low | 26.3 | Very low | 211 Ų | 211 | 142.2 Ų | 142.2 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | 175.6 | 87.3 | 137.7 | -96.9 | 162.5 | -174.5 | 177.8 | 0 | 110 | K693 | K691-K693 PolarHBondContact O-N 3Š| ||
| 692 | G | 24.7 | Very low | 26.1 | Very low | 86 Ų | 86 | 142.1 Ų | 142.1 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -72.9 | 115.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 693 | K | 31.2 | Very low | 26.2 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -126 | 115.3 | 158.5 | -95.4 | -172 | 174.2 | -175.7 | 0 | 107.7 | K691 L695 | K691-K693 PolarHBondContact O-N 3Å; K693-L695 PolarHBondContact O-N 3.26Å | ||
| 694 | R | 24.9 | Very low | 26 | Very low | 247 Ų | 247 | 139.4 Ų | 139.4 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | trans | -49.6 | 123.1 | 167.4 | -71.2 | 175.7 | 170.5 | -175.5 | -4.8 | 109.3 | ||||
| 695 | L | 27.8 | Very low | 25.8 | Very low | 120 Ų | 120 | 141 Ų | 141 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | trans | -128 | 94.5 | 166.1 | -133.3 | 79.3 | 0 | 0 | 0 | 107.4 | K693 I699 | K693-L695 PolarHBondContact O-N 3.26Å; L695-I699 HydrophobicContact CD2-CD1 3.92Å; L695-I699 HydrophobicContact CG-CD1 4.38Å | ||
| 696 | N | 24.7 | Very low | 25.8 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -89.1 | 120 | 161.8 | -79.3 | -3.6 | 0 | 0 | 0 | 106.5 | ||||
| 697 | G | 25.6 | Very low | 26 | Very low | 46 Ų | 46 | 151.6 Ų | 151.6 | 47% | 0.474 | 78% | 0.783 | S | S | . | * | S | Bend | trans | 143.2 | 130.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I699 | G697-I699 VanDerWaalsContact C-N 3.34Å; G697-I699 PolarHBondContact O-N 3.35Å |
| 698 | P | 26 | Very low | 25.8 | Very low | 137 Ų | 137 | 149.4 Ų | 149.4 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | -74.4 | 91.4 | 178.4 | 31.4 | -30.1 | 0 | 0 | 0 | 107.5 | ||||
| 699 | I | 26.1 | Very low | 25.6 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 54% | 0.544 | 78% | 0.782 | S | S | . | * | trans | -95.8 | 105.4 | -179.2 | -65 | 172.7 | 0 | 0 | 0 | 108.2 | L695 G697 M701 | L695-I699 HydrophobicContact CD2-CD1 3.92Å; L695-I699 HydrophobicContact CG-CD1 4.38Å; G697-I699 VanDerWaalsContact C-N 3.34Å; G697-I699 PolarHBondContact O-N 3.35Å; I699-M701 VanDerWaalsContact C-N 3.34Å; I699-M701 PolarHBondContact O-N 3.03Å | ||
| 700 | N | 24 | Very low | 25.7 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -47.7 | 95.9 | 157.2 | -80.9 | -19.3 | 0 | 0 | 0 | 109.5 | I702 | N700-I702 PolarHBondContact O-N 3.44Š| ||
| 701 | M | 24.8 | Very low | 25.8 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | trans | -77.7 | 85.7 | 177.4 | -84.9 | -93.1 | -170.3 | 0 | 0 | 109.8 | I699 T703 | I699-M701 VanDerWaalsContact C-N 3.34Å; I699-M701 PolarHBondContact O-N 3.03Å; M701-T703 VanDerWaalsContact C-N 3.28Å; M701-T703 HydrophobicContact CB-CG2 4.36Å; M701-T703 PolarHBondContact O-N 2.84Å; M701-T703 HydrophobicContact SD-CG2 4.03Å | ||
| 702 | I | 24.2 | Very low | 25.7 | Very low | 154 Ų | 154 | 143 Ų | 143 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -72.5 | 89.6 | 157.4 | -59.9 | 172.2 | 0 | 0 | 0 | 106.5 | N700 N704 | N700-I702 PolarHBondContact O-N 3.44Å; I702-N704 PolarHBondContact O-N 2.95Å | ||
| 703 | T | 26.5 | Very low | 25.8 | Very low | 106 Ų | 106 | 146.9 Ų | 146.9 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | trans | -82.9 | 95.9 | 177.9 | 36.9 | 0 | 0 | 0 | 0 | 110.1 | M701 N705 | M701-T703 VanDerWaalsContact C-N 3.28Å; M701-T703 HydrophobicContact CB-CG2 4.36Å; M701-T703 PolarHBondContact O-N 2.84Å; M701-T703 HydrophobicContact SD-CG2 4.03Å; T703-N705 VanDerWaalsContact C-N 3.32Å; T703-N705 PolarHBondContact O-N 2.98Å; T703-N705 VanDerWaalsContact O-N 3.11Å | ||
| 704 | N | 22.2 | Very low | 25.8 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -82.1 | 74.1 | 173 | -126.8 | -4.9 | 0 | 0 | 0 | 109.6 | I702 | I702-N704 PolarHBondContact O-N 2.95Š| ||
| 705 | N | 25.9 | Very low | 26.4 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -98.7 | 99.4 | 176.8 | -109.1 | 0.4 | 0 | 0 | 0 | 111.1 | T703 F707 | T703-N705 VanDerWaalsContact C-N 3.32Å; T703-N705 PolarHBondContact O-N 2.98Å; T703-N705 VanDerWaalsContact O-N 3.11Å; N705-F707 HydrophobicContact CB-CD2 4.47Å; N705-F707 PolarHBondContact O-N 3.43Å; N705-F707 VanDerWaalsContact O-N 3.15Å | ||
| 706 | K | 22.1 | Very low | 27.2 | Very low | 199 Ų | 199 | 139.6 Ų | 139.6 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | trans | -71.5 | 94.9 | 167.9 | -75.2 | 176.8 | 174.9 | 175.8 | 0 | 109.5 | ||||
| 707 | F | 27.3 | Very low | 28.4 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | -99.7 | 127.9 | 159.7 | -86.1 | -80.2 | 0 | 0 | 0 | 110.3 | N705 | N705-F707 HydrophobicContact CB-CD2 4.47Å; N705-F707 PolarHBondContact O-N 3.43Å; N705-F707 VanDerWaalsContact O-N 3.15Å | ||
| 708 | T | 23.8 | Very low | 30 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -74.8 | 128.2 | -175 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 709 | S | 24.3 | Very low | 32 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | trans | 32.7 | 102.8 | 144.3 | -56.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 710 | S | 27.1 | Very low | 34.3 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | -172.4 | 133.6 | 124 | 64.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 711 | N | 29.4 | Very low | 36.9 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 82% | 0.824 | 70% | 0.7 | S | S | * | * | trans | 73.9 | 91.4 | 167 | -65.8 | -11.1 | 0 | 0 | 0 | 118.6 | M713 | N711-M713 VanDerWaalsContact C-N 3.28Å; N711-M713 PolarHBondContact O-N 2.88Å | ||
| 712 | N | 26.5 | Very low | 39.4 | Very low | 171 Ų | 171 | 125.3 Ų | 125.3 | 91% | 0.914 | 68% | 0.684 | S | S | * | * | trans | -60.7 | 72.4 | 166.1 | -70.1 | -18.7 | 0 | 0 | 0 | 113.1 | ||||
| 713 | M | 28.5 | Very low | 42 | Very low | 168 Ų | 168 | 123 Ų | 123 | 83% | 0.828 | 67% | 0.671 | S | S | * | * | trans | -89.8 | 97.5 | 151.5 | -77.1 | -67.6 | 169.4 | 0 | 0 | 106.8 | N711 F715 | N711-M713 VanDerWaalsContact C-N 3.28Å; N711-M713 PolarHBondContact O-N 2.88Å; M713-F715 PolarHBondContact O-N 3.45Å | ||
| 714 | S | 31 | Very low | 44.4 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 81% | 0.811 | 65% | 0.654 | S | S | * | * | trans | -62.8 | 88 | 169 | 53.2 | 0 | 0 | 0 | 0 | 108.2 | D716 | S714-D716 PolarHBondContact O-N 3.07Š| ||
| 715 | F | 37 | Very low | 47.1 | Very low | 189 Ų | 189 | 118 Ų | 118 | 83% | 0.829 | 65% | 0.646 | S | S | * | * | trans | -61 | 110.9 | 155.1 | -104.6 | -90.4 | 0 | 0 | 0 | 105.1 | M713 S717 | M713-F715 PolarHBondContact O-N 3.45Å; F715-S717 PolarHBondContact O-N 2.83Å | ||
| 716 | D | 44.2 | Very low | 49.6 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 57% | 0.567 | 65% | 0.647 | S | S | * | * | trans | -60.2 | 89.1 | 162.3 | -167.3 | 0 | 0 | 0 | 0 | 105.5 | S714 R718 | S714-D716 PolarHBondContact O-N 3.07Å; D716-R718 VanDerWaalsContact CG-NE 3.29Å; D716-R718 PolarHBondContact O-N 3.09Å; D716-R718 WeakPolarHBondContact OD1-CG 3.32Å; D716-R718 IonicContact OD1-NE 3.13Å; D716-R718 PolarHBondContact OD1-NE 2.8Å; D716-R718 IonicContact OD2-CZ 2.73Å; D716-R718 IonicContact OD2-NE 2.96Å; D716-R718 PolarHBondContact OD2-NE 3.01Å; D716-R718 IonicContact OD2-NH2 3.15Å; D716-R718 PolarHBondContact OD2-NH2 3.08Å | ||
| 717 | S | 49.2 | Very low | 52.2 | Low | 108 Ų | 108 | 115.6 Ų | 115.6 | 76% | 0.755 | 63% | 0.626 | S | S | * | * | trans | -76.5 | 45.1 | -174.1 | 66.1 | 0 | 0 | 0 | 0 | 110.2 | F715 F719 | F715-S717 PolarHBondContact O-N 2.83Å; S717-F719 PolarHBondContact O-N 3.49Å | ||
| 718 | R | 60.9 | Low | 54.7 | Low | 89 Ų | 89 | 111.7 Ų | 111.7 | 34% | 0.336 | 62% | 0.617 | S | S | . | * | trans | -66.9 | 104.2 | 168 | -81.4 | -173.4 | -80 | 168 | -11.5 | 106.6 | W657 D660 D716 V720 | W657-R718 HydrophobicContact CH2-CB 4.4Å; W657-R718 HydrophobicContact CZ2-CB 4.41Å; D660-R718 IonicContact OD2-CZ 2.7Å; D660-R718 IonicContact OD2-NH1 3.92Å; D660-R718 PolarHBondContact OD2-NH1 3.24Å; D660-R718 IonicContact OD2-NH2 3.74Å; D660-R718 PolarHBondContact OD2-NH2 3.45Å; D716-R718 VanDerWaalsContact CG-NE 3.29Å; D716-R718 PolarHBondContact O-N 3.09Å; D716-R718 WeakPolarHBondContact OD1-CG 3.32Å; D716-R718 IonicContact OD1-NE 3.13Å; D716-R718 PolarHBondContact OD1-NE 2.8Å; D716-R718 IonicContact OD2-CZ 2.73Å; D716-R718 IonicContact OD2-NE 2.96Å; D716-R718 PolarHBondContact OD2-NE 3.01Å; D716-R718 IonicContact OD2-NH2 3.15Å; D716-R718 PolarHBondContact OD2-NH2 3.08Å; R718-V720 WeakPolarHBondContact O-CG2 3.27Å; R718-V720 PolarHBondContact O-N 3.38Å; R718-V720 VanDerWaalsContact O-N 3.1Å | ||
| 719 | F | 67.1 | Low | 57.4 | Low | 109 Ų | 109 | 108.9 Ų | 108.9 | 48% | 0.478 | 60% | 0.598 | S | S | . | * | trans | -59.4 | 113.8 | 173.7 | -173.1 | -79.2 | 0 | 0 | 0 | 108 | Q648 S717 E724 | Q648-F719 HydrophobicContact CG-CD1 4.35Å; Q648-F719 HydrophobicContact CG-CE1 4.11Å; S717-F719 PolarHBondContact O-N 3.49Å; F719-E724 WeakPolarHBondContact CZ-OE2 3.36Å | ||
| 720 | V | 74.7 | Confident | 60.1 | Low | 57 Ų | 57 | 114.8 Ų | 114.8 | 35% | 0.345 | 60% | 0.602 | S | S | . | * | trans | -96.8 | 131.2 | 177.3 | -165.3 | 0 | 0 | 0 | 0 | 107.7 | W657 R718 G722 M723 | W657-V720 HydrophobicContact CH2-CB 4.22Å; W657-V720 HydrophobicContact CH2-CG1 4.04Å; W657-V720 HydrophobicContact CH2-CG2 3.4Å; W657-V720 VanDerWaalsContact CH2-CG2 3.4Å; W657-V720 HydrophobicContact CZ2-CB 4.36Å; W657-V720 HydrophobicContact CZ2-CG1 4.22Å; W657-V720 HydrophobicContact CZ2-CG2 3.88Å; W657-V720 HydrophobicContact CZ3-CG2 4.41Å; R718-V720 WeakPolarHBondContact O-CG2 3.27Å; R718-V720 PolarHBondContact O-N 3.38Å; R718-V720 VanDerWaalsContact O-N 3.1Å; V720-G722 PolarHBondContact O-N 3.31Å; V720-M723 HydrophobicContact CB-CG 3.91Å; V720-M723 HydrophobicContact CB-SD 3.96Å; V720-M723 HydrophobicContact CG2-CG 4.37Å; V720-M723 HydrophobicContact CG2-SD 3.87Å; V720-M723 PolarHBondContact N-SD 3.43Å; V720-M723 WeakPolarHBondContact O-CB 3.46Å; V720-M723 VanDerWaalsContact O-CG 3.26Å; V720-M723 WeakPolarHBondContact O-CG 3.49Å; V720-M723 PolarHBondContact O-N 2.8Å | ||
| 721 | P | 77.7 | Confident | 62.6 | Low | 54 Ų | 54 | 118 Ų | 118 | 35% | 0.351 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -49.7 | 129.3 | 173.5 | -24.8 | 31.5 | 0 | 0 | 0 | 111.1 | Q648 L649 | Q648-P721 HydrophobicContact CB-CG 4.22Å; L649-P721 HydrophobicContact CD2-CB 3.86Å; L649-P721 HydrophobicContact CD2-CG 4.18Å |
| 722 | G | 77.5 | Confident | 65.1 | Low | 34 Ų | 34 | 115 Ų | 115 | 35% | 0.351 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 93 | -4.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V720 E724 S725 | V720-G722 PolarHBondContact O-N 3.31Å; G722-E724 WeakPolarHBondContact CA-OE2 3.5Å; G722-E724 PolarHBondContact N-OE1 3.26Å; G722-E724 PolarHBondContact N-OE2 2.85Å; G722-E724 VanDerWaalsContact N-OE2 3.14Å; G722-E724 PolarHBondContact O-N 2.88Å; G722-S725 WeakPolarHBondContact O-CB 3.49Å; G722-S725 PolarHBondContact O-N 3.37Å |
| 723 | M | 79.3 | Confident | 67.8 | Low | 104 Ų | 104 | 112.6 Ų | 112.6 | 51% | 0.512 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -58.4 | -32.2 | 172.7 | -82.3 | -177.3 | 68.5 | 0 | 0 | 112.6 | V720 S725 F726 | V720-M723 HydrophobicContact CB-CG 3.91Å; V720-M723 HydrophobicContact CB-SD 3.96Å; V720-M723 HydrophobicContact CG2-CG 4.37Å; V720-M723 HydrophobicContact CG2-SD 3.87Å; V720-M723 PolarHBondContact N-SD 3.43Å; V720-M723 WeakPolarHBondContact O-CB 3.46Å; V720-M723 VanDerWaalsContact O-CG 3.26Å; V720-M723 WeakPolarHBondContact O-CG 3.49Å; V720-M723 PolarHBondContact O-N 2.8Å; M723-S725 PolarHBondContact O-N 3.42Å; M723-F726 WeakPolarHBondContact O-CB 3.44Å; M723-F726 PolarHBondContact O-N 3.22Å |
| 724 | E | 77.2 | Confident | 70.5 | Confident | 61 Ų | 61 | 106.9 Ų | 106.9 | 29% | 0.285 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -63.1 | -17.9 | 175.6 | 68.5 | -78.2 | 179.9 | 0 | 0 | 113.6 | F719 G722 | F719-E724 WeakPolarHBondContact CZ-OE2 3.36Å; G722-E724 WeakPolarHBondContact CA-OE2 3.5Å; G722-E724 PolarHBondContact N-OE1 3.26Å; G722-E724 PolarHBondContact N-OE2 2.85Å; G722-E724 VanDerWaalsContact N-OE2 3.14Å; G722-E724 PolarHBondContact O-N 2.88Å |
| 725 | S | 78.3 | Confident | 73.1 | Confident | 92 Ų | 92 | 107.2 Ų | 107.2 | 64% | 0.643 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -85.1 | -13.5 | 174.5 | -62 | 0 | 0 | 0 | 0 | 113.1 | G722 M723 R727 | G722-S725 WeakPolarHBondContact O-CB 3.49Å; G722-S725 PolarHBondContact O-N 3.37Å; M723-S725 PolarHBondContact O-N 3.42Å; S725-R727 PolarHBondContact O-N 3.1Å |
| 726 | F | 78.7 | Confident | 75.3 | Confident | 167 Ų | 167 | 100.6 Ų | 100.6 | 73% | 0.732 | 51% | 0.508 | S | S | * | . | trans | -78.5 | 115.9 | 177.7 | -172.2 | -93.2 | 0 | 0 | 0 | 110.4 | M723 T728 | M723-F726 WeakPolarHBondContact O-CB 3.44Å; M723-F726 PolarHBondContact O-N 3.22Å; F726-T728 HydrophobicContact CE1-CG2 4.46Å | ||
| 727 | R | 76.4 | Confident | 77.4 | Confident | 112 Ų | 112 | 97.1 Ų | 97.1 | 42% | 0.423 | 49% | 0.49 | S | S | . | . | trans | -127.7 | 139.7 | 178.6 | -56.5 | -175.4 | -171 | -174.9 | 0.7 | 110 | S725 D737 | S725-R727 PolarHBondContact O-N 3.1Å; R727-D737 IonicContact CZ-OD1 2.87Å; R727-D737 IonicContact CZ-OD2 3.54Å; R727-D737 IonicContact NE-OD2 3.81Å; R727-D737 IonicContact NH1-OD1 3.69Å; R727-D737 PolarHBondContact NH1-OD1 3.46Å; R727-D737 IonicContact NH1-OD2 3Å; R727-D737 PolarHBondContact NH1-OD2 3.35Å; R727-D737 VanDerWaalsContact NH2-CG 3.27Å; R727-D737 IonicContact NH2-OD1 3.11Å; R727-D737 PolarHBondContact NH2-OD1 3.25Å; R727-D737 IonicContact NH2-OD2 3.26Å; R727-D737 PolarHBondContact NH2-OD2 3.21Å; R727-D737 VanDerWaalsContact NH2-OD2 3.11Å | ||
| 728 | T | 79.4 | Confident | 79.4 | Confident | 99 Ų | 99 | 97.6 Ų | 97.6 | 61% | 0.607 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -80.7 | -34.4 | 176.5 | 72.8 | 0 | 0 | 0 | 0 | 111.4 | F726 E732 | F726-T728 HydrophobicContact CE1-CG2 4.46Å; T728-E732 PolarHBondContact N-OE2 3.17Å; T728-E732 PolarHBondContact OG1-OE1 3.03Å; T728-E732 PolarHBondContact OG1-OE2 3.49Å |
| 729 | N | 81.7 | Confident | 80.8 | Confident | 68 Ų | 68 | 93.6 Ų | 93.6 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | trans | -149.8 | 172.7 | 178.8 | 66.5 | 52.1 | 0 | 0 | 0 | 111.6 | E731 E732 | N729-E731 VanDerWaalsContact C-N 3.34Å; N729-E731 WeakPolarHBondContact OD1-CA 3.44Å; N729-E731 WeakPolarHBondContact OD1-CB 3.28Å; N729-E731 PolarHBondContact OD1-N 3.14Å; N729-E732 WeakPolarHBondContact OD1-CG 3.14Å; N729-E732 PolarHBondContact OD1-N 3.2Å | ||
| 730 | R | 79.5 | Confident | 82 | Confident | 243 Ų | 243 | 91.2 Ų | 91.2 | 92% | 0.917 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -81.2 | -10.5 | 179.8 | -66.7 | -177.8 | 178.6 | -178.3 | -1.1 | 114.1 | ||
| 731 | E | 81 | Confident | 82.9 | Confident | 177 Ų | 177 | 92.5 Ų | 92.5 | 83% | 0.827 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -82 | -24.5 | 179.7 | -59.4 | -177.2 | 172.3 | 0 | 0 | 111.5 | N729 Q733 | N729-E731 VanDerWaalsContact C-N 3.34Å; N729-E731 WeakPolarHBondContact OD1-CA 3.44Å; N729-E731 WeakPolarHBondContact OD1-CB 3.28Å; N729-E731 PolarHBondContact OD1-N 3.14Å; E731-Q733 VanDerWaalsContact C-N 3.33Å; E731-Q733 PolarHBondContact O-N 3.27Å |
| 732 | E | 82.2 | Confident | 83.7 | Confident | 92 Ų | 92 | 90 Ų | 90 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | trans | -69.3 | 84 | 171.1 | -73.8 | 174.1 | 174.9 | 0 | 0 | 111 | T728 N729 | T728-E732 PolarHBondContact N-OE2 3.17Å; T728-E732 PolarHBondContact OG1-OE1 3.03Å; T728-E732 PolarHBondContact OG1-OE2 3.49Å; N729-E732 WeakPolarHBondContact OD1-CG 3.14Å; N729-E732 PolarHBondContact OD1-N 3.2Å | ||
| 733 | Q | 82.3 | Confident | 84.5 | Confident | 119 Ų | 119 | 88.4 Ų | 88.4 | 56% | 0.556 | 42% | 0.424 | S | S | * | . | trans | -81.6 | 118.7 | 173.5 | -67.3 | -176.6 | -1.2 | 0 | 0 | 111.4 | E731 D737 K738 | E731-Q733 VanDerWaalsContact C-N 3.33Å; E731-Q733 PolarHBondContact O-N 3.27Å; Q733-D737 HydrophobicContact CB-CB 4.23Å; Q733-K738 HydrophobicContact CB-CG 4.41Å | ||
| 734 | T | 85.8 | Confident | 85.3 | Confident | 48 Ų | 48 | 85.1 Ų | 85.1 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | trans | -71.8 | 170.4 | 169 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | N736 D737 K738 | T734-N736 PolarHBondContact O-N 3.34Å; T734-N736 PolarHBondContact OG1-N 3.2Å; T734-D737 WeakPolarHBondContact CB-OD2 3.14Å; T734-D737 PolarHBondContact N-OD2 2.89Å; T734-D737 PolarHBondContact O-N 3.07Å; T734-D737 PolarHBondContact OG1-N 3.32Å; T734-D737 VanDerWaalsContact OG1-N 3.16Å; T734-D737 PolarHBondContact OG1-OD2 3.01Å; T734-K738 PolarHBondContact O-N 3.27Å | ||
| 735 | I | 84.3 | Confident | 86.3 | Confident | 123 Ų | 123 | 82.8 Ų | 82.8 | 63% | 0.631 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59.2 | -42.5 | 171.4 | -66.4 | 163.6 | 0 | 0 | 0 | 109.7 | D737 K738 T739 | I735-D737 VanDerWaalsContact C-N 3.31Å; I735-D737 PolarHBondContact O-N 3.26Å; I735-K738 WeakPolarHBondContact O-CB 3.41Å; I735-K738 PolarHBondContact O-N 3.06Å; I735-K738 VanDerWaalsContact O-N 3.08Å; I735-T739 PolarHBondContact O-N 3.26Å; I735-T739 PolarHBondContact O-OG1 2.7Å |
| 736 | N | 84.8 | Confident | 87.2 | Confident | 51 Ų | 51 | 78.4 Ų | 78.4 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 178.8 | -55.9 | 16.5 | 0 | 0 | 0 | 112.1 | E641 T734 K738 T739 L740 | E641-N736 PolarHBondContact OE1-OD1 3.42Å; E641-N736 PolarHBondContact OE2-ND2 2.88Å; E641-N736 PolarHBondContact OE2-OD1 3.18Å; T734-N736 PolarHBondContact O-N 3.34Å; T734-N736 PolarHBondContact OG1-N 3.2Å; N736-K738 VanDerWaalsContact C-N 3.33Å; N736-K738 PolarHBondContact O-N 2.98Å; N736-T739 PolarHBondContact O-N 3.02Å; N736-L740 VanDerWaalsContact O-CB 3.27Å; N736-L740 WeakPolarHBondContact O-CB 3.47Å; N736-L740 PolarHBondContact O-N 2.68Å |
| 737 | D | 88 | Confident | 88.1 | Confident | 33 Ų | 33 | 70.5 Ų | 70.5 | 18% | 0.176 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 176.1 | -65.1 | -54.7 | 0 | 0 | 0 | 111.6 | R727 Q733 T734 I735 F741 | R727-D737 IonicContact CZ-OD1 2.87Å; R727-D737 IonicContact CZ-OD2 3.54Å; R727-D737 IonicContact NE-OD2 3.81Å; R727-D737 IonicContact NH1-OD1 3.69Å; R727-D737 PolarHBondContact NH1-OD1 3.46Å; R727-D737 IonicContact NH1-OD2 3Å; R727-D737 PolarHBondContact NH1-OD2 3.35Å; R727-D737 VanDerWaalsContact NH2-CG 3.27Å; R727-D737 IonicContact NH2-OD1 3.11Å; R727-D737 PolarHBondContact NH2-OD1 3.25Å; R727-D737 IonicContact NH2-OD2 3.26Å; R727-D737 PolarHBondContact NH2-OD2 3.21Å; R727-D737 VanDerWaalsContact NH2-OD2 3.11Å; Q733-D737 HydrophobicContact CB-CB 4.23Å; T734-D737 WeakPolarHBondContact CB-OD2 3.14Å; T734-D737 PolarHBondContact N-OD2 2.89Å; T734-D737 PolarHBondContact O-N 3.07Å; T734-D737 PolarHBondContact OG1-N 3.32Å; T734-D737 VanDerWaalsContact OG1-N 3.16Å; T734-D737 PolarHBondContact OG1-OD2 3.01Å; I735-D737 VanDerWaalsContact C-N 3.31Å; I735-D737 PolarHBondContact O-N 3.26Å; D737-F741 WeakPolarHBondContact O-CB 3.31Å; D737-F741 PolarHBondContact O-N 3.36Å |
| 738 | K | 90 | Very high | 89.1 | Confident | 117 Ų | 117 | 70 Ų | 70 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 178.4 | -65.4 | 174.4 | -174.8 | 175.5 | 0 | 111 | Q733 T734 I735 N736 G742 | Q733-K738 HydrophobicContact CB-CG 4.41Å; T734-K738 PolarHBondContact O-N 3.27Å; I735-K738 WeakPolarHBondContact O-CB 3.41Å; I735-K738 PolarHBondContact O-N 3.06Å; I735-K738 VanDerWaalsContact O-N 3.08Å; N736-K738 VanDerWaalsContact C-N 3.33Å; N736-K738 PolarHBondContact O-N 2.98Å; K738-G742 PolarHBondContact O-N 2.96Å |
| 739 | T | 90.6 | Very high | 89.9 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.4 | -48.4 | 176.6 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | Y634 N637 R638 I735 N736 G742 L743 | Y634-T739 HydrophobicContact CD1-CG2 3.95Å; Y634-T739 WeakPolarHBondContact O-CG2 3.26Å; N637-T739 HydrophobicContact CB-CG2 4Å; R638-T739 HydrophobicContact CG-CG2 3.48Å; R638-T739 VanDerWaalsContact CG-CG2 3.48Å; I735-T739 PolarHBondContact O-N 3.26Å; I735-T739 PolarHBondContact O-OG1 2.7Å; N736-T739 PolarHBondContact O-N 3.02Å; T739-G742 PolarHBondContact O-N 3.32Å; T739-L743 WeakPolarHBondContact O-CB 3.47Å; T739-L743 PolarHBondContact O-N 2.72Å |
| 740 | L | 91.9 | Very high | 90.7 | Very high | 59 Ų | 59 | 62.2 Ų | 62.2 | 31% | 0.309 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 177.3 | 180 | 57.9 | 0 | 0 | 0 | 111.5 | N736 L743 S744 | N736-L740 VanDerWaalsContact O-CB 3.27Å; N736-L740 WeakPolarHBondContact O-CB 3.47Å; N736-L740 PolarHBondContact O-N 2.68Å; L740-L743 PolarHBondContact O-N 2.83Å; L740-S744 WeakPolarHBondContact O-CB 3.36Å; L740-S744 PolarHBondContact O-N 3.28Å |
| 741 | F | 93.5 | Very high | 91.4 | Very high | 84 Ų | 84 | 53.1 Ų | 53.1 | 37% | 0.368 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.4 | -50.4 | 175.9 | 179 | -96.3 | 0 | 0 | 0 | 110.9 | P581 D737 L743 S744 Q745 | P581-F741 HydrophobicContact CB-CD1 4.25Å; P581-F741 HydrophobicContact CB-CE1 3.82Å; P581-F741 WeakPolarHBondContact O-CE1 3.46Å; D737-F741 WeakPolarHBondContact O-CB 3.31Å; D737-F741 PolarHBondContact O-N 3.36Å; F741-L743 VanDerWaalsContact C-N 3.32Å; F741-L743 PolarHBondContact O-N 2.8Å; F741-S744 PolarHBondContact O-N 3.05Å; F741-S744 PolarHBondContact O-OG 3.23Å; F741-S744 VanDerWaalsContact O-OG 3.12Å; F741-Q745 HydrophobicContact CD1-CG 4Å; F741-Q745 HydrophobicContact CD2-CG 4.49Å; F741-Q745 HydrophobicContact CE1-CG 3.62Å; F741-Q745 HydrophobicContact CE2-CG 4.16Å; F741-Q745 HydrophobicContact CG-CG 4.42Å; F741-Q745 HydrophobicContact CZ-CG 3.7Å; F741-Q745 VanDerWaalsContact O-CG 3.23Å; F741-Q745 WeakPolarHBondContact O-CG 3.34Å; F741-Q745 PolarHBondContact O-N 3.39Å |
| 742 | G | 95.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57 | -45.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | K738 T739 Q745 L746 | K738-G742 PolarHBondContact O-N 2.96Å; T739-G742 PolarHBondContact O-N 3.32Å; G742-Q745 PolarHBondContact O-N 3.47Å; G742-L746 WeakPolarHBondContact O-CG 3.49Å; G742-L746 PolarHBondContact O-N 3.31Å |
| 743 | L | 95.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.4 | -51 | 175.6 | -171.3 | 68.2 | 0 | 0 | 0 | 111.4 | I631 T739 L740 F741 Q745 L746 C747 L818 | I631-L743 HydrophobicContact CG2-CD1 3.79Å; T739-L743 WeakPolarHBondContact O-CB 3.47Å; T739-L743 PolarHBondContact O-N 2.72Å; L740-L743 PolarHBondContact O-N 2.83Å; F741-L743 VanDerWaalsContact C-N 3.32Å; F741-L743 PolarHBondContact O-N 2.8Å; L743-Q745 VanDerWaalsContact C-N 3.28Å; L743-Q745 PolarHBondContact O-N 3.01Å; L743-L746 PolarHBondContact O-N 2.84Å; L743-C747 VanDerWaalsContact O-CB 3.27Å; L743-C747 WeakPolarHBondContact O-CB 3.41Å; L743-C747 PolarHBondContact O-N 3.15Å; L743-C747 PolarHBondContact O-SG 3.43Å; L743-L818 HydrophobicContact CD1-CD1 3.75Å; L743-L818 HydrophobicContact CD2-CD1 3.81Å; L743-L818 HydrophobicContact CG-CD1 3.99Å |
| 744 | S | 95.8 | Very high | 93.1 | Very high | 35 Ų | 35 | 46.8 Ų | 46.8 | 25% | 0.245 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -37 | -178.5 | 89.3 | 0 | 0 | 0 | 0 | 112 | L740 F741 Y748 | L740-S744 WeakPolarHBondContact O-CB 3.36Å; L740-S744 PolarHBondContact O-N 3.28Å; F741-S744 PolarHBondContact O-N 3.05Å; F741-S744 PolarHBondContact O-OG 3.23Å; F741-S744 VanDerWaalsContact O-OG 3.12Å; S744-Y748 WeakPolarHBondContact O-CB 3.41Å; S744-Y748 PolarHBondContact O-N 2.81Å; S744-Y748 VanDerWaalsContact O-N 3.12Å |
| 745 | Q | 97.6 | Very high | 93.5 | Very high | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66 | -48.5 | 176.2 | -64 | -39.4 | -78.6 | 0 | 0 | 111.5 | L584 R585 F741 G742 L743 Y748 S749 | L584-Q745 HydrophobicContact CB-CB 3.54Å; L584-Q745 HydrophobicContact CB-CG 4.24Å; L584-Q745 HydrophobicContact CD1-CB 4.28Å; R585-Q745 VanDerWaalsContact CA-O 3.31Å; R585-Q745 WeakPolarHBondContact CA-O 3.44Å; R585-Q745 HydrophobicContact CB-CB 4.28Å; F741-Q745 HydrophobicContact CD1-CG 4Å; F741-Q745 HydrophobicContact CD2-CG 4.49Å; F741-Q745 HydrophobicContact CE1-CG 3.62Å; F741-Q745 HydrophobicContact CE2-CG 4.16Å; F741-Q745 HydrophobicContact CG-CG 4.42Å; F741-Q745 HydrophobicContact CZ-CG 3.7Å; F741-Q745 VanDerWaalsContact O-CG 3.23Å; F741-Q745 WeakPolarHBondContact O-CG 3.34Å; F741-Q745 PolarHBondContact O-N 3.39Å; G742-Q745 PolarHBondContact O-N 3.47Å; L743-Q745 VanDerWaalsContact C-N 3.28Å; L743-Q745 PolarHBondContact O-N 3.01Å; Q745-Y748 WeakPolarHBondContact O-CB 3.49Å; Q745-Y748 PolarHBondContact O-N 2.94Å; Q745-S749 PolarHBondContact O-N 3.48Å; Q745-S749 VanDerWaalsContact O-N 3.1Å |
| 746 | L | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.4 | -36.6 | -177.5 | -71 | 169.9 | 0 | 0 | 0 | 112.3 | L584 T587 I627 N630 I631 Y634 G742 L743 Y748 S749 V750 | L584-L746 HydrophobicContact CB-CD2 4.08Å; L584-L746 HydrophobicContact CB-CG 4.19Å; L584-L746 HydrophobicContact CD1-CG 4.45Å; L584-L746 HydrophobicContact CD2-CD2 4.04Å; L584-L746 HydrophobicContact CD2-CG 4.37Å; T587-L746 HydrophobicContact CG2-CD2 4.49Å; I627-L746 HydrophobicContact CG2-CD2 4.4Å; N630-L746 HydrophobicContact CB-CD1 3.86Å; I631-L746 HydrophobicContact CD1-CB 3.95Å; I631-L746 HydrophobicContact CG1-CB 3.45Å; I631-L746 VanDerWaalsContact CG1-CB 3.45Å; I631-L746 HydrophobicContact CG1-CD1 4.04Å; I631-L746 HydrophobicContact CG1-CG 4.34Å; Y634-L746 HydrophobicContact CD2-CD1 3.79Å; Y634-L746 HydrophobicContact CE2-CD1 3.77Å; G742-L746 WeakPolarHBondContact O-CG 3.49Å; G742-L746 PolarHBondContact O-N 3.31Å; L743-L746 PolarHBondContact O-N 2.84Å; L746-Y748 VanDerWaalsContact C-N 3.35Å; L746-S749 WeakPolarHBondContact O-CA 3.37Å; L746-S749 VanDerWaalsContact O-CB 3.22Å; L746-S749 WeakPolarHBondContact O-CB 3.46Å; L746-S749 PolarHBondContact O-N 3.44Å; L746-S749 VanDerWaalsContact O-N 3.14Å; L746-V750 PolarHBondContact O-N 3.48Å |
| 747 | C | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | 173 | -71 | 0 | 0 | 0 | 0 | 111.8 | L743 S749 V750 N751 H821 V822 | L743-C747 VanDerWaalsContact O-CB 3.27Å; L743-C747 WeakPolarHBondContact O-CB 3.41Å; L743-C747 PolarHBondContact O-N 3.15Å; L743-C747 PolarHBondContact O-SG 3.43Å; C747-S749 VanDerWaalsContact C-N 3.29Å; C747-S749 PolarHBondContact O-N 3.38Å; C747-V750 PolarHBondContact O-N 3.22Å; C747-N751 WeakPolarHBondContact O-CB 3.35Å; C747-N751 PolarHBondContact O-N 2.93Å; C747-N751 PolarHBondContact O-ND2 3.46Å; C747-H821 HydrophobicContact CB-CB 3.74Å; C747-H821 WeakPolarHBondContact CB-O 3.48Å; C747-V822 HydrophobicContact CB-CB 3.95Å |
| 748 | Y | 96.7 | Very high | 95 | Very high | 102 Ų | 102 | 46 Ų | 46 | 40% | 0.4 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.6 | -43.9 | 171 | 179.1 | -86.5 | 0 | 0 | 0 | 111.5 | F422 R585 S744 Q745 L746 N751 H752 | F422-Y748 HydrophobicContact CZ-CE1 4.02Å; R585-Y748 HydrophobicContact CB-CD1 3.89Å; S744-Y748 WeakPolarHBondContact O-CB 3.41Å; S744-Y748 PolarHBondContact O-N 2.81Å; S744-Y748 VanDerWaalsContact O-N 3.12Å; Q745-Y748 WeakPolarHBondContact O-CB 3.49Å; Q745-Y748 PolarHBondContact O-N 2.94Å; L746-Y748 VanDerWaalsContact C-N 3.35Å; Y748-N751 PolarHBondContact O-N 3.46Å; Y748-H752 PolarHBondContact O-N 2.97Å |
| 749 | S | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.5 | -49.2 | 177.2 | -169.1 | 0 | 0 | 0 | 0 | 111.9 | R585 T587 I588 Q745 L746 C747 N751 H752 | R585-S749 WeakPolarHBondContact O-CB 3.39Å; R585-S749 PolarHBondContact O-OG 3.09Å; T587-S749 PolarHBondContact OG1-OG 3.45Å; I588-S749 WeakPolarHBondContact CB-O 3.44Å; I588-S749 VanDerWaalsContact CB-OG 3.31Å; I588-S749 WeakPolarHBondContact CB-OG 3.47Å; I588-S749 WeakPolarHBondContact CG1-O 3.4Å; I588-S749 PolarHBondContact N-OG 2.99Å; Q745-S749 PolarHBondContact O-N 3.48Å; Q745-S749 VanDerWaalsContact O-N 3.1Å; L746-S749 WeakPolarHBondContact O-CA 3.37Å; L746-S749 VanDerWaalsContact O-CB 3.22Å; L746-S749 WeakPolarHBondContact O-CB 3.46Å; L746-S749 PolarHBondContact O-N 3.44Å; L746-S749 VanDerWaalsContact O-N 3.14Å; C747-S749 VanDerWaalsContact C-N 3.29Å; C747-S749 PolarHBondContact O-N 3.38Å; S749-N751 VanDerWaalsContact C-N 3.32Å; S749-N751 PolarHBondContact O-N 3.28Å; S749-H752 VanDerWaalsContact O-CB 3.3Å; S749-H752 WeakPolarHBondContact O-CB 3.38Å; S749-H752 PolarHBondContact O-N 3Å |
| 750 | V | 96.7 | Very high | 95.2 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.5 | -30.2 | -179.6 | 170 | 0 | 0 | 0 | 0 | 112.8 | I627 I631 L746 C747 H752 P765 R766 L769 V822 | I627-V750 HydrophobicContact CG2-CG2 3.46Å; I627-V750 VanDerWaalsContact CG2-CG2 3.46Å; I631-V750 HydrophobicContact CD1-CB 4.37Å; I631-V750 HydrophobicContact CD1-CG2 3.54Å; L746-V750 PolarHBondContact O-N 3.48Å; C747-V750 PolarHBondContact O-N 3.22Å; V750-H752 VanDerWaalsContact C-N 3.29Å; V750-H752 PolarHBondContact O-N 3.19Å; V750-P765 HydrophobicContact CG1-CB 4.16Å; V750-R766 HydrophobicContact CG1-CB 4.42Å; V750-R766 HydrophobicContact CG1-CG 3.57Å; V750-L769 HydrophobicContact CG1-CD2 4.31Å; V750-V822 HydrophobicContact CG1-CG2 4.21Å |
| 751 | N | 96 | Very high | 95.3 | Very high | 51 Ų | 51 | 48.2 Ų | 48.2 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -74.7 | -16.8 | 176 | -74.6 | -29.1 | 0 | 0 | 0 | 113.7 | C747 Y748 S749 H821 V822 C823 | C747-N751 WeakPolarHBondContact O-CB 3.35Å; C747-N751 PolarHBondContact O-N 2.93Å; C747-N751 PolarHBondContact O-ND2 3.46Å; Y748-N751 PolarHBondContact O-N 3.46Å; S749-N751 VanDerWaalsContact C-N 3.32Å; S749-N751 PolarHBondContact O-N 3.28Å; N751-H821 PolarHBondContact ND2-O 3.3Å; N751-V822 WeakPolarHBondContact OD1-CG2 3.46Å; N751-C823 PolarHBondContact OD1-N 3.45Å |
| 752 | H | 95.3 | Very high | 95.5 | Very high | 51 Ų | 51 | 48.6 Ų | 48.6 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -45.6 | -171.1 | -171 | 69.8 | 0 | 0 | 0 | 112.8 | F422 I588 Y748 S749 V750 | F422-H752 AromaticContact CE2-CD2 3.64Å; F422-H752 AromaticContact CE2-CE1 3.6Å; F422-H752 AromaticContact CE2-CG 3.72Å; F422-H752 AromaticContact CE2-ND1 3.7Å; F422-H752 AromaticContact CE2-NE2 3.56Å; F422-H752 AromaticContact CZ-CE1 3.31Å; F422-H752 WeakPolarHBondContact CZ-CE1 3.4Å; F422-H752 AromaticContact CZ-CG 3.96Å; F422-H752 AromaticContact CZ-ND1 3.44Å; F422-H752 WeakPolarHBondContact CZ-ND1 3.27Å; F422-H752 AromaticContact CZ-NE2 3.77Å; I588-H752 HydrophobicContact CG1-CB 4.44Å; I588-H752 HydrophobicContact CG2-CB 3.91Å; Y748-H752 PolarHBondContact O-N 2.97Å; S749-H752 VanDerWaalsContact O-CB 3.3Å; S749-H752 WeakPolarHBondContact O-CB 3.38Å; S749-H752 PolarHBondContact O-N 3Å; V750-H752 VanDerWaalsContact C-N 3.29Å; V750-H752 PolarHBondContact O-N 3.19Å |
| 753 | H | 93 | Very high | 95.6 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 13% | 0.125 | 24% | 0.235 | C | C | . | . | trans | -110.8 | 124 | 176.2 | -72.4 | -50.3 | 0 | 0 | 0 | 110.1 | D425 I588 S592 L756 | D425-H753 IonicContact OD2-CE1 2.62Å; D425-H753 IonicContact OD2-NE2 2.82Å; D425-H753 PolarHBondContact OD2-NE2 3.43Å; I588-H753 HydrophobicContact CG1-CB 4.41Å; S592-H753 PolarHBondContact OG-NE2 3.28Å; H753-L756 HydrophobicContact CB-CD2 3.8Å; H753-L756 HydrophobicContact CB-CG 4.24Å | ||
| 754 | R | 92.1 | Very high | 95.7 | Very high | 178 Ų | 178 | 51.1 Ų | 51.1 | 67% | 0.672 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -66.8 | -47.5 | 174 | 174.5 | 179.1 | 178.4 | -172.4 | -1 | 111.1 | N764 | R754-N764 PolarHBondContact O-OD1 3.31Š|
| 755 | E | 94.8 | Very high | 95.8 | Very high | 115 Ų | 115 | 49.7 Ų | 49.7 | 54% | 0.537 | 24% | 0.237 | S | C | . | . | trans | -145.8 | 148.9 | -178.5 | 63.8 | -170.6 | -154.7 | 0 | 0 | 109.1 | V762 I763 | E755-V762 HydrophobicContact CB-CG1 3.79Å; E755-V762 HydrophobicContact CG-CG1 4.36Å; E755-I763 CarbonylContact C-O 3.48Å; E755-I763 WeakPolarHBondContact CA-O 3.44Å | ||
| 756 | L | 96.2 | Very high | 95.7 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.9 | 177.3 | -65.6 | 171.4 | 0 | 0 | 0 | 108 | P591 H753 V758 I763 P765 | P591-L756 HydrophobicContact CB-CD1 3.42Å; P591-L756 VanDerWaalsContact CB-CD1 3.42Å; H753-L756 HydrophobicContact CB-CD2 3.8Å; H753-L756 HydrophobicContact CB-CG 4.24Å; L756-V758 HydrophobicContact CB-CG2 4.27Å; L756-V758 PolarHBondContact O-N 3.1Å; L756-I763 HydrophobicContact CB-CB 4.43Å; L756-I763 PolarHBondContact N-O 3.42Å; L756-I763 PolarHBondContact O-N 2.82Å; L756-P765 HydrophobicContact CD1-CG 4.16Å |
| 757 | L | 96.1 | Very high | 95.6 | Very high | 116 Ų | 116 | 57.1 Ų | 57.1 | 61% | 0.607 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 107.7 | 172.7 | -178.4 | 66.4 | 0 | 0 | 0 | 108.7 | S595 Q761 V762 | S595-L757 WeakPolarHBondContact CB-O 3.44Å; L757-Q761 WeakPolarHBondContact CA-O 3.3Å; L757-V762 HydrophobicContact CD1-CG2 4.12Å |
| 758 | V | 96 | Very high | 95.6 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 112.4 | -179.9 | -173.5 | 0 | 0 | 0 | 0 | 109 | C594 A616 A617 C620 L756 D760 Q761 I763 | C594-V758 HydrophobicContact CB-CG1 4.31Å; C594-V758 WeakPolarHBondContact O-CG1 3.31Å; A616-V758 HydrophobicContact CB-CG1 4.01Å; A617-V758 HydrophobicContact CB-CG1 4.1Å; C620-V758 HydrophobicContact CB-CG2 4.1Å; L756-V758 HydrophobicContact CB-CG2 4.27Å; L756-V758 PolarHBondContact O-N 3.1Å; V758-D760 PolarHBondContact O-N 3.02Å; V758-Q761 PolarHBondContact N-O 3.25Å; V758-Q761 PolarHBondContact O-N 2.9Å; V758-I763 HydrophobicContact CB-CD1 4.34Å; V758-I763 HydrophobicContact CG2-CD1 4.23Å |
| 759 | F | 92.9 | Very high | 95.7 | Very high | 52 Ų | 52 | 53.9 Ų | 53.9 | 23% | 0.228 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | -101.9 | -175.6 | -178.6 | -123.4 | 0 | 0 | 0 | 112 | I598 R609 R614 | I598-F759 HydrophobicContact CG2-CB 4.29Å; I598-F759 HydrophobicContact CG2-CD2 3.86Å; R609-F759 HydrophobicContact CG-CE2 4.28Å; R614-F759 HydrophobicContact CG-CE1 4.37Å |
| 760 | D | 91.2 | Very high | 95.7 | Very high | 114 Ų | 114 | 56.2 Ų | 56.2 | 61% | 0.61 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 10.1 | 177.5 | 63.9 | -12.5 | 0 | 0 | 0 | 113.2 | V758 | V758-D760 PolarHBondContact O-N 3.02Š|
| 761 | Q | 94.7 | Very high | 95.6 | Very high | 61 Ų | 61 | 59 Ų | 59 | 29% | 0.285 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 142.6 | -173.3 | -50.2 | -169.8 | 5.7 | 0 | 0 | 111.9 | R621 L757 V758 | R621-Q761 VanDerWaalsContact CZ-OE1 3.27Å; L757-Q761 WeakPolarHBondContact CA-O 3.3Å; V758-Q761 PolarHBondContact N-O 3.25Å; V758-Q761 PolarHBondContact O-N 2.9Å |
| 762 | V | 97.3 | Very high | 95.6 | Very high | 92 Ų | 92 | 58.2 Ų | 58.2 | 56% | 0.558 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 116 | 169.4 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | E755 L757 | E755-V762 HydrophobicContact CB-CG1 3.79Å; E755-V762 HydrophobicContact CG-CG1 4.36Å; L757-V762 HydrophobicContact CD1-CG2 4.12Å |
| 763 | I | 97.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 124.5 | -179.8 | -63 | 167.1 | 0 | 0 | 0 | 108.3 | C620 R621 E755 L756 V758 P765 I768 | C620-I763 HydrophobicContact CB-CD1 3.73Å; C620-I763 VanDerWaalsContact SG-CD1 3.55Å; R621-I763 HydrophobicContact CG-CD1 3.68Å; R621-I763 HydrophobicContact CG-CG1 4.1Å; R621-I763 HydrophobicContact CG-CG2 4.49Å; E755-I763 CarbonylContact C-O 3.48Å; E755-I763 WeakPolarHBondContact CA-O 3.44Å; L756-I763 HydrophobicContact CB-CB 4.43Å; L756-I763 PolarHBondContact N-O 3.42Å; L756-I763 PolarHBondContact O-N 2.82Å; V758-I763 HydrophobicContact CB-CD1 4.34Å; V758-I763 HydrophobicContact CG2-CD1 4.23Å; I763-P765 WeakPolarHBondContact O-CD 3.4Å; I763-I768 HydrophobicContact CG2-CD1 3.81Å |
| 764 | N | 97.1 | Very high | 95.9 | Very high | 48 Ų | 48 | 55.6 Ų | 55.6 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | trans | -107.2 | 105.3 | 177.5 | -177.8 | -14.9 | 0 | 0 | 0 | 110.4 | R754 R766 E767 I768 | R754-N764 PolarHBondContact O-OD1 3.31Å; N764-R766 VanDerWaalsContact C-N 3.26Å; N764-R766 PolarHBondContact O-N 3.39Å; N764-R766 WeakPolarHBondContact OD1-CB 3.33Å; N764-R766 PolarHBondContact OD1-N 3.47Å; N764-E767 HydrophobicContact CB-CB 3.89Å; N764-E767 PolarHBondContact O-N 3.37Å; N764-E767 PolarHBondContact OD1-N 3.44Å; N764-I768 PolarHBondContact O-N 3.23Å | ||
| 765 | P | 97.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.5 | -32.9 | -178.7 | -25.1 | 35.1 | 0 | 0 | 0 | 114 | I588 V750 L756 I763 L769 | I588-P765 HydrophobicContact CD1-CB 4.48Å; I588-P765 HydrophobicContact CD1-CG 4.16Å; V750-P765 HydrophobicContact CG1-CB 4.16Å; L756-P765 HydrophobicContact CD1-CG 4.16Å; I763-P765 WeakPolarHBondContact O-CD 3.4Å; P765-L769 PolarHBondContact O-N 3.27Å; P765-L769 VanDerWaalsContact O-N 3.1Å |
| 766 | R | 96.8 | Very high | 96 | Very high | 58 Ų | 58 | 49.7 Ų | 49.7 | 22% | 0.219 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.1 | -36.6 | -179.9 | -74.4 | -177.6 | -83.6 | 168 | -14.5 | 112.4 | V750 N764 L769 Q770 V822 C823 | V750-R766 HydrophobicContact CG1-CB 4.42Å; V750-R766 HydrophobicContact CG1-CG 3.57Å; N764-R766 VanDerWaalsContact C-N 3.26Å; N764-R766 PolarHBondContact O-N 3.39Å; N764-R766 WeakPolarHBondContact OD1-CB 3.33Å; N764-R766 PolarHBondContact OD1-N 3.47Å; R766-L769 PolarHBondContact O-N 3.25Å; R766-Q770 WeakPolarHBondContact O-CB 3.17Å; R766-Q770 PolarHBondContact O-N 2.93Å; R766-V822 HydrophobicContact CG-CG2 4.48Å; R766-C823 WeakPolarHBondContact CD-O 2.86Å |
| 767 | E | 95.9 | Very high | 95.9 | Very high | 111 Ų | 111 | 49.4 Ų | 49.4 | 52% | 0.519 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.8 | -40.8 | 175.9 | -172.4 | 178.6 | 168 | 0 | 0 | 111.5 | N764 L769 Q770 N771 | N764-E767 HydrophobicContact CB-CB 3.89Å; N764-E767 PolarHBondContact O-N 3.37Å; N764-E767 PolarHBondContact OD1-N 3.44Å; E767-L769 VanDerWaalsContact C-N 3.33Å; E767-L769 PolarHBondContact O-N 3.07Å; E767-Q770 PolarHBondContact O-N 3.47Å; E767-N771 WeakPolarHBondContact O-CB 3.38Å; E767-N771 VanDerWaalsContact O-CG 3.29Å; E767-N771 PolarHBondContact O-N 2.95Å; E767-N771 PolarHBondContact O-ND2 2.92Å |
| 768 | I | 97.3 | Very high | 95.7 | Very high | 34 Ų | 34 | 44.5 Ų | 44.5 | 17% | 0.174 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.9 | -48 | 172.3 | -66.1 | 170.5 | 0 | 0 | 0 | 110.1 | C624 A628 I763 N764 N771 E772 | C624-I768 HydrophobicContact CB-CD1 3.6Å; A628-I768 HydrophobicContact CB-CG2 4.16Å; I763-I768 HydrophobicContact CG2-CD1 3.81Å; N764-I768 PolarHBondContact O-N 3.23Å; I768-N771 PolarHBondContact O-N 3.2Å; I768-E772 WeakPolarHBondContact O-CB 3.35Å; I768-E772 PolarHBondContact O-N 3.2Å |
| 769 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.4 | -46.9 | 177 | 174.8 | 63.1 | 0 | 0 | 0 | 112.5 | A628 I631 V750 P765 R766 E767 N771 E772 I773 V822 I824 | A628-L769 HydrophobicContact CB-CB 4.27Å; A628-L769 HydrophobicContact CB-CD1 4.08Å; I631-L769 HydrophobicContact CB-CD1 3.81Å; I631-L769 HydrophobicContact CD1-CD1 4.11Å; I631-L769 HydrophobicContact CD1-CD2 3.86Å; I631-L769 HydrophobicContact CG2-CD1 3.53Å; I631-L769 HydrophobicContact CG2-CD2 4.15Å; I631-L769 HydrophobicContact CG2-CG 4.48Å; V750-L769 HydrophobicContact CG1-CD2 4.31Å; P765-L769 PolarHBondContact O-N 3.27Å; P765-L769 VanDerWaalsContact O-N 3.1Å; R766-L769 PolarHBondContact O-N 3.25Å; E767-L769 VanDerWaalsContact C-N 3.33Å; E767-L769 PolarHBondContact O-N 3.07Å; L769-N771 VanDerWaalsContact C-N 3.34Å; L769-N771 PolarHBondContact O-N 3.12Å; L769-E772 PolarHBondContact O-N 3.41Å; L769-I773 HydrophobicContact CD1-CD1 3.8Å; L769-I773 HydrophobicContact CD1-CG1 4.01Å; L769-I773 HydrophobicContact CD2-CD1 4.48Å; L769-I773 HydrophobicContact CG-CD1 3.82Å; L769-I773 HydrophobicContact CG-CG1 4.41Å; L769-I773 VanDerWaalsContact O-CG1 3.3Å; L769-I773 WeakPolarHBondContact O-CG1 3.37Å; L769-I773 PolarHBondContact O-N 3.4Å; L769-V822 HydrophobicContact CD2-CG1 4.22Å; L769-V822 HydrophobicContact CD2-CG2 3.92Å; L769-I824 HydrophobicContact CD2-CG2 4.44Å |
| 770 | Q | 96.4 | Very high | 95.4 | Very high | 48 Ų | 48 | 46.9 Ų | 46.9 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | -179 | -179.9 | 171.9 | -31 | 0 | 0 | 111.6 | R766 E767 I773 Q774 I824 | R766-Q770 WeakPolarHBondContact O-CB 3.17Å; R766-Q770 PolarHBondContact O-N 2.93Å; E767-Q770 PolarHBondContact O-N 3.47Å; Q770-I773 PolarHBondContact O-N 3.45Å; Q770-Q774 WeakPolarHBondContact O-CB 3.42Å; Q770-Q774 PolarHBondContact O-N 3.39Å; Q770-I824 HydrophobicContact CB-CG2 4.43Å |
| 771 | N | 95.3 | Very high | 95.4 | Very high | 64 Ų | 64 | 41.5 Ų | 41.5 | 34% | 0.342 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 176.1 | -71.3 | -29.6 | 0 | 0 | 0 | 111.4 | E767 I768 L769 I773 Q774 F775 | E767-N771 WeakPolarHBondContact O-CB 3.38Å; E767-N771 VanDerWaalsContact O-CG 3.29Å; E767-N771 PolarHBondContact O-N 2.95Å; E767-N771 PolarHBondContact O-ND2 2.92Å; I768-N771 PolarHBondContact O-N 3.2Å; L769-N771 VanDerWaalsContact C-N 3.34Å; L769-N771 PolarHBondContact O-N 3.12Å; N771-I773 PolarHBondContact O-N 3.37Å; N771-Q774 WeakPolarHBondContact O-CB 3.38Å; N771-Q774 PolarHBondContact O-N 2.6Å; N771-F775 HydrophobicContact CB-CE2 4.24Å; N771-F775 WeakPolarHBondContact O-CD2 3.26Å; N771-F775 PolarHBondContact O-N 3.04Å |
| 772 | E | 97.3 | Very high | 95 | Very high | 34 Ų | 34 | 40 Ų | 40 | 16% | 0.159 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 177.8 | -172.7 | 61.2 | -154.3 | 0 | 0 | 112 | Q625 A628 I768 L769 Q774 F775 R776 | Q625-E772 VanDerWaalsContact NE2-CD 3.3Å; Q625-E772 PolarHBondContact NE2-OE2 2.93Å; A628-E772 HydrophobicContact CB-CB 4.35Å; I768-E772 WeakPolarHBondContact O-CB 3.35Å; I768-E772 PolarHBondContact O-N 3.2Å; L769-E772 PolarHBondContact O-N 3.41Å; E772-Q774 VanDerWaalsContact C-N 3.34Å; E772-Q774 PolarHBondContact O-N 2.8Å; E772-F775 PolarHBondContact O-N 3.21Å; E772-R776 WeakPolarHBondContact O-CG 3.34Å; E772-R776 PolarHBondContact O-N 2.61Å; E772-R776 VanDerWaalsContact O-N 3.1Å; E772-R776 IonicContact OE1-CZ 3.85Å; E772-R776 VanDerWaalsContact OE1-CZ 3.27Å; E772-R776 IonicContact OE1-NE 4Å; E772-R776 PolarHBondContact OE1-NE 3.25Å; E772-R776 IonicContact OE1-NH2 3.58Å; E772-R776 PolarHBondContact OE1-NH2 3.42Å |
| 773 | I | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 174.5 | -68.1 | 170.1 | 0 | 0 | 0 | 110.1 | L635 L769 Q770 N771 F775 R776 I777 L815 L818 I824 L829 | L635-I773 HydrophobicContact CD2-CD1 3.99Å; L635-I773 HydrophobicContact CD2-CG1 3.92Å; L635-I773 HydrophobicContact CD2-CG2 4.17Å; L769-I773 HydrophobicContact CD1-CD1 3.8Å; L769-I773 HydrophobicContact CD1-CG1 4.01Å; L769-I773 HydrophobicContact CD2-CD1 4.48Å; L769-I773 HydrophobicContact CG-CD1 3.82Å; L769-I773 HydrophobicContact CG-CG1 4.41Å; L769-I773 VanDerWaalsContact O-CG1 3.3Å; L769-I773 WeakPolarHBondContact O-CG1 3.37Å; L769-I773 PolarHBondContact O-N 3.4Å; Q770-I773 PolarHBondContact O-N 3.45Å; N771-I773 PolarHBondContact O-N 3.37Å; I773-F775 PolarHBondContact O-N 3.1Å; I773-R776 PolarHBondContact O-N 3.46Å; I773-I777 HydrophobicContact CG2-CD1 3.54Å; I773-I777 HydrophobicContact CG2-CG1 4.23Å; I773-I777 VanDerWaalsContact O-CG1 3.26Å; I773-I777 WeakPolarHBondContact O-CG1 3.45Å; I773-I777 PolarHBondContact O-N 3.15Å; I773-L815 HydrophobicContact CG2-CD2 3.91Å; I773-L818 HydrophobicContact CD1-CD2 3.69Å; I773-I824 HydrophobicContact CD1-CD1 3.82Å; I773-L829 HydrophobicContact CG2-CD1 4.26Å; I773-L829 HydrophobicContact CG2-CD2 3.64Å |
| 774 | Q | 95.7 | Very high | 93.8 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.4 | -50.6 | 178.5 | -177.2 | -176.8 | -46.5 | 0 | 0 | 111.8 | Q770 N771 E772 R776 I777 I778 L829 T832 V833 | Q770-Q774 WeakPolarHBondContact O-CB 3.42Å; Q770-Q774 PolarHBondContact O-N 3.39Å; N771-Q774 WeakPolarHBondContact O-CB 3.38Å; N771-Q774 PolarHBondContact O-N 2.6Å; E772-Q774 VanDerWaalsContact C-N 3.34Å; E772-Q774 PolarHBondContact O-N 2.8Å; Q774-R776 PolarHBondContact O-N 3.21Å; Q774-I777 PolarHBondContact O-N 3.41Å; Q774-I778 HydrophobicContact CG-CD1 4.15Å; Q774-I778 WeakPolarHBondContact O-CG1 2.97Å; Q774-I778 PolarHBondContact O-N 2.99Å; Q774-I778 VanDerWaalsContact O-N 3.15Å; Q774-L829 HydrophobicContact CB-CD1 3.58Å; Q774-L829 HydrophobicContact CG-CD1 4.16Å; Q774-T832 HydrophobicContact CG-CG2 4.42Å; Q774-V833 HydrophobicContact CG-CG2 3.88Å |
| 775 | F | 93.2 | Very high | 92.7 | Very high | 97 Ų | 97 | 39.1 Ų | 39.1 | 43% | 0.425 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.7 | -44.8 | -179.1 | -72.2 | -60.7 | 0 | 0 | 0 | 112.2 | N771 E772 I773 I778 D779 | N771-F775 HydrophobicContact CB-CE2 4.24Å; N771-F775 WeakPolarHBondContact O-CD2 3.26Å; N771-F775 PolarHBondContact O-N 3.04Å; E772-F775 PolarHBondContact O-N 3.21Å; I773-F775 PolarHBondContact O-N 3.1Å; F775-I778 PolarHBondContact O-N 2.91Å; F775-D779 PolarHBondContact O-N 2.96Å |
| 776 | R | 95.1 | Very high | 91.6 | Very high | 72 Ų | 72 | 43.7 Ų | 43.7 | 27% | 0.272 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -71.9 | -30.2 | -178 | -65.8 | -168.5 | -171.5 | -167.3 | 6 | 113.7 | D629 F636 E772 I773 Q774 D779 L780 | D629-R776 IonicContact OD1-NH2 3.75Å; D629-R776 PolarHBondContact OD1-NH2 2.92Å; F636-R776 HydrophobicContact CE1-CB 3.98Å; F636-R776 HydrophobicContact CE2-CB 3.71Å; F636-R776 HydrophobicContact CZ-CB 3.24Å; F636-R776 HydrophobicContact CZ-CG 4.45Å; E772-R776 WeakPolarHBondContact O-CG 3.34Å; E772-R776 PolarHBondContact O-N 2.61Å; E772-R776 VanDerWaalsContact O-N 3.1Å; E772-R776 IonicContact OE1-CZ 3.85Å; E772-R776 VanDerWaalsContact OE1-CZ 3.27Å; E772-R776 IonicContact OE1-NE 4Å; E772-R776 PolarHBondContact OE1-NE 3.25Å; E772-R776 IonicContact OE1-NH2 3.58Å; E772-R776 PolarHBondContact OE1-NH2 3.42Å; I773-R776 PolarHBondContact O-N 3.46Å; Q774-R776 PolarHBondContact O-N 3.21Å; R776-D779 PolarHBondContact O-N 2.89Å; R776-L780 WeakPolarHBondContact O-CB 3.3Å; R776-L780 PolarHBondContact O-N 3.46Å |
| 777 | I | 94.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.5 | -38 | 175.5 | -66.3 | 174.5 | 0 | 0 | 0 | 110.6 | F636 I773 Q774 D779 L780 L781 L811 L815 L829 V833 | F636-I777 HydrophobicContact CZ-CG1 3.94Å; I773-I777 HydrophobicContact CG2-CD1 3.54Å; I773-I777 HydrophobicContact CG2-CG1 4.23Å; I773-I777 VanDerWaalsContact O-CG1 3.26Å; I773-I777 WeakPolarHBondContact O-CG1 3.45Å; I773-I777 PolarHBondContact O-N 3.15Å; Q774-I777 PolarHBondContact O-N 3.41Å; I777-D779 VanDerWaalsContact C-N 3.26Å; I777-D779 PolarHBondContact O-N 3.46Å; I777-L780 PolarHBondContact O-N 3.22Å; I777-L781 HydrophobicContact CG2-CD1 3.97Å; I777-L781 HydrophobicContact CG2-CG 4.12Å; I777-L781 WeakPolarHBondContact O-CG 3.5Å; I777-L781 PolarHBondContact O-N 3.12Å; I777-L811 HydrophobicContact CG2-CD1 4.27Å; I777-L811 HydrophobicContact CG2-CD2 4.27Å; I777-L815 HydrophobicContact CD1-CD1 3.43Å; I777-L815 VanDerWaalsContact CD1-CD1 3.43Å; I777-L815 HydrophobicContact CD1-CD2 4Å; I777-L815 HydrophobicContact CD1-CG 4.15Å; I777-L829 HydrophobicContact CD1-CD2 4.1Å; I777-V833 HydrophobicContact CG2-CG1 3.77Å |
| 778 | I | 92.4 | Very high | 88.1 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.062 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.6 | -45.5 | 172.6 | -68.9 | 167.1 | 0 | 0 | 0 | 109.8 | Q774 F775 L781 A782 V833 F844 | Q774-I778 HydrophobicContact CG-CD1 4.15Å; Q774-I778 WeakPolarHBondContact O-CG1 2.97Å; Q774-I778 PolarHBondContact O-N 2.99Å; Q774-I778 VanDerWaalsContact O-N 3.15Å; F775-I778 PolarHBondContact O-N 2.91Å; I778-L781 PolarHBondContact O-N 3.48Å; I778-A782 WeakPolarHBondContact O-CB 3.46Å; I778-A782 PolarHBondContact O-N 3.07Å; I778-V833 HydrophobicContact CG1-CG1 4.13Å; I778-V833 HydrophobicContact CG1-CG2 4.15Å; I778-F844 HydrophobicContact CD1-CD2 3.86Å; I778-F844 HydrophobicContact CD1-CE2 4.24Å; I778-F844 HydrophobicContact CD1-CG 4.24Å |
| 779 | D | 90.4 | Very high | 85.8 | Confident | 71 Ų | 71 | 40.9 Ų | 40.9 | 38% | 0.38 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 175.5 | -77.3 | -42.1 | 0 | 0 | 0 | 113.2 | F775 R776 I777 A782 S783 R845 | F775-D779 PolarHBondContact O-N 2.96Å; R776-D779 PolarHBondContact O-N 2.89Å; I777-D779 VanDerWaalsContact C-N 3.26Å; I777-D779 PolarHBondContact O-N 3.46Å; D779-A782 PolarHBondContact O-N 3.5Å; D779-S783 PolarHBondContact O-N 2.95Å; D779-R845 IonicContact OD1-CZ 2.86Å; D779-R845 IonicContact OD1-NH1 3.66Å; D779-R845 PolarHBondContact OD1-NH1 2.86Å; D779-R845 IonicContact OD1-NH2 3.29Å; D779-R845 PolarHBondContact OD1-NH2 2.67Å; D779-R845 IonicContact OD2-CZ 2.82Å; D779-R845 IonicContact OD2-NH1 3.02Å; D779-R845 IonicContact OD2-NH2 2.71Å; D779-R845 PolarHBondContact OD2-NH2 2.83Å |
| 780 | L | 92.2 | Very high | 83.5 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 179 | -178.9 | 62.4 | 0 | 0 | 0 | 111.8 | F636 I639 R776 I777 A782 S783 Y784 L811 | F636-L780 HydrophobicContact CD1-CD2 4.02Å; F636-L780 HydrophobicContact CE1-CB 3.99Å; F636-L780 HydrophobicContact CE1-CD2 3.68Å; F636-L780 HydrophobicContact CE1-CG 4.37Å; I639-L780 HydrophobicContact CG2-CD2 3.91Å; R776-L780 WeakPolarHBondContact O-CB 3.3Å; R776-L780 PolarHBondContact O-N 3.46Å; I777-L780 PolarHBondContact O-N 3.22Å; L780-A782 VanDerWaalsContact C-N 3.35Å; L780-S783 WeakPolarHBondContact O-CB 3.44Å; L780-S783 PolarHBondContact O-N 3.48Å; L780-S783 VanDerWaalsContact O-N 3.16Å; L780-S783 PolarHBondContact O-OG 2.91Å; L780-Y784 HydrophobicContact CD1-CE1 3.88Å; L780-Y784 HydrophobicContact CG-CE1 4.31Å; L780-Y784 PolarHBondContact O-N 3.29Å; L780-Y784 VanDerWaalsContact O-N 3.13Å; L780-L811 HydrophobicContact CD2-CD1 3.57Å; L780-L811 HydrophobicContact CG-CD1 4.38Å |
| 781 | L | 91.2 | Very high | 81 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.8 | -34 | 177.8 | -67.1 | 177.5 | 0 | 0 | 0 | 112.3 | I777 I778 S783 Y784 S785 V808 L811 V833 F834 H837 | I777-L781 HydrophobicContact CG2-CD1 3.97Å; I777-L781 HydrophobicContact CG2-CG 4.12Å; I777-L781 WeakPolarHBondContact O-CG 3.5Å; I777-L781 PolarHBondContact O-N 3.12Å; I778-L781 PolarHBondContact O-N 3.48Å; L781-S783 VanDerWaalsContact C-N 3.28Å; L781-S783 PolarHBondContact O-N 3.36Å; L781-Y784 HydrophobicContact CD2-CD2 4.05Å; L781-Y784 HydrophobicContact CD2-CE2 4.43Å; L781-Y784 PolarHBondContact O-N 3.4Å; L781-S785 PolarHBondContact O-N 3.47Å; L781-S785 PolarHBondContact O-OG 3.37Å; L781-V808 HydrophobicContact CD2-CG2 4.08Å; L781-L811 HydrophobicContact CD2-CD1 4.31Å; L781-V833 HydrophobicContact CD1-CG1 3.54Å; L781-F834 HydrophobicContact CD1-CD1 3.9Å; L781-F834 HydrophobicContact CD1-CE1 3.66Å; L781-F834 HydrophobicContact CD2-CE1 4.24Å; L781-H837 WeakPolarHBondContact CD1-NE2 3.29Å |
| 782 | A | 86.2 | Confident | 78.7 | Confident | 29 Ų | 29 | 58.1 Ų | 58.1 | 24% | 0.24 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.2 | -40 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I778 D779 L780 Y784 S785 N786 | I778-A782 WeakPolarHBondContact O-CB 3.46Å; I778-A782 PolarHBondContact O-N 3.07Å; D779-A782 PolarHBondContact O-N 3.5Å; L780-A782 VanDerWaalsContact C-N 3.35Å; A782-Y784 VanDerWaalsContact C-N 3.32Å; A782-Y784 PolarHBondContact O-N 3.34Å; A782-S785 PolarHBondContact O-N 2.91Å; A782-S785 VanDerWaalsContact O-N 3.14Å; A782-N786 PolarHBondContact O-N 3.22Å |
| 783 | S | 85.2 | Confident | 76.5 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 51% | 0.51 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.8 | -33 | 176 | 83.1 | 0 | 0 | 0 | 0 | 113.4 | D779 L780 L781 S785 | D779-S783 PolarHBondContact O-N 2.95Å; L780-S783 WeakPolarHBondContact O-CB 3.44Å; L780-S783 PolarHBondContact O-N 3.48Å; L780-S783 VanDerWaalsContact O-N 3.16Å; L780-S783 PolarHBondContact O-OG 2.91Å; L781-S783 VanDerWaalsContact C-N 3.28Å; L781-S783 PolarHBondContact O-N 3.36Å; S783-S785 VanDerWaalsContact C-N 3.3Å |
| 784 | Y | 84.8 | Confident | 74.2 | Confident | 55 Ų | 55 | 66.7 Ų | 66.7 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.8 | -27.3 | 174.2 | -69.6 | -6.3 | 0 | 0 | 0 | 113 | L780 L781 A782 L804 R807 | L780-Y784 HydrophobicContact CD1-CE1 3.88Å; L780-Y784 HydrophobicContact CG-CE1 4.31Å; L780-Y784 PolarHBondContact O-N 3.29Å; L780-Y784 VanDerWaalsContact O-N 3.13Å; L781-Y784 HydrophobicContact CD2-CD2 4.05Å; L781-Y784 HydrophobicContact CD2-CE2 4.43Å; L781-Y784 PolarHBondContact O-N 3.4Å; A782-Y784 VanDerWaalsContact C-N 3.32Å; A782-Y784 PolarHBondContact O-N 3.34Å; Y784-L804 HydrophobicContact CD2-CD1 3.79Å; Y784-L804 HydrophobicContact CG-CD1 4.06Å; Y784-R807 HydrophobicContact CE2-CB 4.15Å |
| 785 | S | 73.8 | Confident | 72.3 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.007 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -89.9 | -23.6 | -175.2 | -50.8 | 0 | 0 | 0 | 0 | 112.7 | L781 A782 S783 F787 M850 | L781-S785 PolarHBondContact O-N 3.47Å; L781-S785 PolarHBondContact O-OG 3.37Å; A782-S785 PolarHBondContact O-N 2.91Å; A782-S785 VanDerWaalsContact O-N 3.14Å; S783-S785 VanDerWaalsContact C-N 3.3Å; S785-F787 PolarHBondContact O-N 3.13Å; S785-F787 VanDerWaalsContact O-N 3.11Å; S785-M850 WeakPolarHBondContact OG-CG 3.42Å |
| 786 | N | 73.6 | Confident | 70.8 | Confident | 100 Ų | 100 | 70.4 Ų | 70.4 | 54% | 0.535 | 39% | 0.388 | S | S | . | . | trans | -78.6 | 98 | -176.8 | -168.6 | 6.1 | 0 | 0 | 0 | 110.7 | A782 A788 | A782-N786 PolarHBondContact O-N 3.22Å; N786-A788 PolarHBondContact O-N 3.28Å; N786-A788 WeakPolarHBondContact OD1-CB 3.44Å; N786-A788 PolarHBondContact OD1-N 3.03Å | ||
| 787 | F | 66 | Low | 70.1 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 17% | 0.171 | 39% | 0.394 | C | S | . | . | trans | -75.3 | 22.1 | 175.9 | -46.1 | -50.8 | 0 | 0 | 0 | 113.2 | S785 S789 S796 A798 H853 Y854 W857 | S785-F787 PolarHBondContact O-N 3.13Å; S785-F787 VanDerWaalsContact O-N 3.11Å; F787-S789 PolarHBondContact O-N 3.3Å; F787-S796 WeakPolarHBondContact O-CB 3.28Å; F787-S796 PolarHBondContact O-OG 2.91Å; F787-A798 HydrophobicContact CD1-CB 3.97Å; F787-A798 HydrophobicContact CD2-CB 4.11Å; F787-A798 HydrophobicContact CE1-CB 3.65Å; F787-A798 HydrophobicContact CE2-CB 3.77Å; F787-A798 HydrophobicContact CG-CB 4.2Å; F787-A798 HydrophobicContact CZ-CB 3.54Å; F787-H853 HydrophobicContact CD2-CB 4.37Å; F787-H853 HydrophobicContact CE2-CB 3.7Å; F787-H853 HydrophobicContact CZ-CB 4.26Å; F787-Y854 HydrophobicContact CZ-CD2 4.46Å; F787-Y854 HydrophobicContact CZ-CE1 4.38Å; F787-Y854 HydrophobicContact CZ-CE2 4.16Å; F787-W857 HydrophobicContact CE2-CB 4.46Å | ||
| 788 | A | 53.8 | Low | 69.7 | Low | 64 Ų | 64 | 70.6 Ų | 70.6 | 53% | 0.529 | 39% | 0.394 | S | S | . | . | trans | -82 | 109.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | N786 H790 | N786-A788 PolarHBondContact O-N 3.28Å; N786-A788 WeakPolarHBondContact OD1-CB 3.44Å; N786-A788 PolarHBondContact OD1-N 3.03Å; A788-H790 PolarHBondContact O-N 3.04Å | ||
| 789 | S | 48.5 | Very low | 69.6 | Low | 41 Ų | 41 | 71.5 Ų | 71.5 | 29% | 0.287 | 40% | 0.402 | S | S | . | . | trans | -64.5 | 137.2 | 168.6 | 57.9 | 0 | 0 | 0 | 0 | 109.2 | F787 D791 T794 S796 | F787-S789 PolarHBondContact O-N 3.3Å; S789-D791 WeakPolarHBondContact CB-O 3.36Å; S789-D791 PolarHBondContact O-N 2.9Å; S789-D791 PolarHBondContact OG-O 3.06Å; S789-T794 PolarHBondContact OG-O 2.92Å; S789-S796 PolarHBondContact N-OG 3.36Å | ||
| 790 | H | 49 | Very low | 69.7 | Low | 196 Ų | 196 | 70.2 Ų | 70.2 | 91% | 0.907 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -70.6 | -17.5 | 167.3 | -84.4 | -67.3 | 0 | 0 | 0 | 112.4 | A788 | A788-H790 PolarHBondContact O-N 3.04Š|
| 791 | D | 44 | Very low | 69.9 | Low | 112 Ų | 112 | 68.6 Ų | 68.6 | 60% | 0.599 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -96 | 108.6 | 171.8 | -81.3 | -25.6 | 0 | 0 | 0 | 110.2 | S789 T793 T794 | S789-D791 WeakPolarHBondContact CB-O 3.36Å; S789-D791 PolarHBondContact O-N 2.9Å; S789-D791 PolarHBondContact OG-O 3.06Å; D791-T793 PolarHBondContact O-N 2.78Å; D791-T794 PolarHBondContact O-N 3.39Å |
| 792 | N | 48 | Very low | 70.1 | Confident | 167 Ų | 167 | 70 Ų | 70 | 89% | 0.893 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 1.3 | 175.4 | -74.6 | -24.4 | 0 | 0 | 0 | 114.2 | ||
| 793 | T | 51 | Low | 70.4 | Confident | 127 Ų | 127 | 71.2 Ų | 71.2 | 78% | 0.779 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -20.5 | -174.4 | 49.5 | 0 | 0 | 0 | 0 | 114.2 | D791 | D791-T793 PolarHBondContact O-N 2.78Š|
| 794 | T | 49.4 | Very low | 70.8 | Confident | 86 Ų | 86 | 68.1 Ų | 68.1 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -116.2 | 117.4 | 179.9 | 41.5 | 0 | 0 | 0 | 0 | 109 | S789 D791 S796 | S789-T794 PolarHBondContact OG-O 2.92Å; D791-T794 PolarHBondContact O-N 3.39Å; T794-S796 PolarHBondContact O-N 3.33Å |
| 795 | E | 55 | Low | 71.3 | Confident | 147 Ų | 147 | 66.1 Ų | 66.1 | 69% | 0.687 | 37% | 0.365 | S | S | * | . | trans | -49 | 116.2 | 165.1 | -83.5 | 169.1 | 163.4 | 0 | 0 | 108.1 | L797 K890 | E795-L797 PolarHBondContact O-N 3.44Å; E795-L797 VanDerWaalsContact O-N 3.13Å; E795-K890 WeakPolarHBondContact OE2-CD 3.49Å; E795-K890 WeakPolarHBondContact OE2-CE 3.46Å; E795-K890 IonicContact OE2-NZ 3.94Å; E795-K890 PolarHBondContact OE2-NZ 3.3Å | ||
| 796 | S | 62.5 | Low | 72.3 | Confident | 50 Ų | 50 | 68.2 Ų | 68.2 | 35% | 0.35 | 37% | 0.373 | S | S | . | . | trans | -79 | 105.4 | -170.6 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | F787 S789 T794 | F787-S796 WeakPolarHBondContact O-CB 3.28Å; F787-S796 PolarHBondContact O-OG 2.91Å; S789-S796 PolarHBondContact N-OG 3.36Å; T794-S796 PolarHBondContact O-N 3.33Å | ||
| 797 | L | 80.6 | Confident | 73.2 | Confident | 76 Ų | 76 | 65.6 Ų | 65.6 | 40% | 0.398 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -79 | 141.1 | 179.3 | -167.6 | 65.2 | 0 | 0 | 0 | 109.5 | E795 W857 F891 Y896 | E795-L797 PolarHBondContact O-N 3.44Å; E795-L797 VanDerWaalsContact O-N 3.13Å; L797-W857 HydrophobicContact CD1-CZ2 3.86Å; L797-F891 HydrophobicContact CD1-CB 3.74Å; L797-F891 HydrophobicContact CD1-CD1 3.58Å; L797-F891 HydrophobicContact CD1-CD2 4.3Å; L797-F891 HydrophobicContact CD1-CE1 4.25Å; L797-F891 HydrophobicContact CD1-CG 3.62Å; L797-F891 HydrophobicContact CD2-CB 3.54Å; L797-F891 HydrophobicContact CD2-CG 4.31Å; L797-F891 HydrophobicContact CG-CB 4.31Å; L797-Y896 HydrophobicContact CD2-CE2 4.1Å; L797-Y896 WeakPolarHBondContact CD2-OH 3.43Å; L797-Y896 VanDerWaalsContact CG-OH 3.26Å; L797-Y896 WeakPolarHBondContact CG-OH 3.37Å |
| 798 | A | 87.1 | Confident | 74.7 | Confident | 2 Ų | 2 | 64 Ų | 64 | 2% | 0.017 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 150.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F787 Y854 W857 Y896 | F787-A798 HydrophobicContact CD1-CB 3.97Å; F787-A798 HydrophobicContact CD2-CB 4.11Å; F787-A798 HydrophobicContact CE1-CB 3.65Å; F787-A798 HydrophobicContact CE2-CB 3.77Å; F787-A798 HydrophobicContact CG-CB 4.2Å; F787-A798 HydrophobicContact CZ-CB 3.54Å; A798-Y854 HydrophobicContact CB-CE1 4.45Å; A798-W857 HydrophobicContact CB-CD2 3.74Å; A798-W857 HydrophobicContact CB-CE3 4.49Å; A798-W857 HydrophobicContact CB-CG 3.73Å; A798-W857 HydrophobicContact CB-CZ2 4.41Å; A798-Y896 WeakPolarHBondContact O-CE1 3.24Å; A798-Y896 PolarHBondContact O-OH 3.28Å |
| 799 | S | 89.6 | Confident | 76.6 | Confident | 32 Ų | 32 | 65.8 Ų | 65.8 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 142 | 168.2 | 50.3 | 0 | 0 | 0 | 0 | 110.1 | Y854 | S799-Y854 PolarHBondContact O-OH 2.97Å; S799-Y854 PolarHBondContact OG-OH 3.46Å |
| 800 | K | 92.7 | Very high | 78.8 | Confident | 43 Ų | 43 | 64 Ų | 64 | 19% | 0.187 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 135.4 | 172.3 | -58.6 | -175.9 | -174 | -168.4 | 0 | 109 | S802 E803 L804 D895 Y896 | K800-S802 PolarHBondContact O-N 2.83Å; K800-S802 VanDerWaalsContact O-N 3.17Å; K800-E803 HydrophobicContact CB-CB 4.27Å; K800-E803 HydrophobicContact CB-CG 3.96Å; K800-E803 WeakPolarHBondContact O-CB 3.49Å; K800-E803 PolarHBondContact O-N 3.41Å; K800-L804 PolarHBondContact O-N 3.5Å; K800-D895 HydrophobicContact CD-CB 4.2Å; K800-D895 WeakPolarHBondContact CD-O 3.45Å; K800-D895 WeakPolarHBondContact CG-O 3.31Å; K800-D895 IonicContact NZ-OD1 3.74Å; K800-D895 PolarHBondContact NZ-OD1 3.37Å; K800-D895 IonicContact NZ-OD2 3.9Å; K800-D895 PolarHBondContact NZ-OD2 3.31Å; K800-Y896 HydrophobicContact CB-CE1 4.4Å; K800-Y896 HydrophobicContact CG-CD1 4.37Å; K800-Y896 HydrophobicContact CG-CE1 3.88Å; K800-Y896 HydrophobicContact CG-CE2 4.32Å |
| 801 | P | 95.7 | Very high | 81 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -51.7 | -38.1 | -179.7 | -28.3 | 32.8 | 0 | 0 | 0 | 114.4 | L804 L805 Y854 Y858 E901 A904 L905 L908 | P801-L804 PolarHBondContact O-N 3.27Å; P801-L805 VanDerWaalsContact O-CB 3.24Å; P801-L805 WeakPolarHBondContact O-CB 3.5Å; P801-L805 PolarHBondContact O-N 3.16Å; P801-Y854 HydrophobicContact CG-CE1 4.03Å; P801-Y858 VanDerWaalsContact CG-OH 3.31Å; P801-Y858 WeakPolarHBondContact CG-OH 3.38Å; P801-E901 VanDerWaalsContact CB-O 3.27Å; P801-E901 WeakPolarHBondContact CB-O 3.42Å; P801-E901 VanDerWaalsContact CD-OE2 3.25Å; P801-E901 WeakPolarHBondContact CD-OE2 3.4Å; P801-E901 HydrophobicContact CG-CB 4.35Å; P801-A904 HydrophobicContact CB-CB 4.06Å; P801-L905 HydrophobicContact CB-CB 3.88Å; P801-L905 HydrophobicContact CG-CB 4.1Å; P801-L905 HydrophobicContact CG-CD1 4.5Å; P801-L908 WeakPolarHBondContact O-CD1 3.37Å |
| 802 | S | 95 | Very high | 83.5 | Confident | 31 Ų | 31 | 52 Ų | 52 | 22% | 0.217 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.1 | -33.1 | 178.1 | 73.1 | 0 | 0 | 0 | 0 | 113.2 | K800 R806 E901 | K800-S802 PolarHBondContact O-N 2.83Å; K800-S802 VanDerWaalsContact O-N 3.17Å; S802-R806 WeakPolarHBondContact O-CB 3.1Å; S802-R806 PolarHBondContact O-N 3Å; S802-E901 WeakPolarHBondContact CB-OE1 3.46Å; S802-E901 VanDerWaalsContact CB-OE2 3.26Å; S802-E901 WeakPolarHBondContact CB-OE2 3.46Å; S802-E901 PolarHBondContact N-OE2 3.32Å; S802-E901 VanDerWaalsContact OG-CD 3.29Å; S802-E901 PolarHBondContact OG-OE1 3.25Å; S802-E901 PolarHBondContact OG-OE2 3Å |
| 803 | E | 92.5 | Very high | 85.8 | Confident | 54 Ų | 54 | 48.2 Ų | 48.2 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.6 | -46.5 | 173.6 | -66.7 | 177.8 | 161.3 | 0 | 0 | 110.7 | Q652 K800 R806 R807 | Q652-E803 PolarHBondContact NE2-OE1 3Å; Q652-E803 VanDerWaalsContact NE2-OE1 3.11Å; K800-E803 HydrophobicContact CB-CB 4.27Å; K800-E803 HydrophobicContact CB-CG 3.96Å; K800-E803 WeakPolarHBondContact O-CB 3.49Å; K800-E803 PolarHBondContact O-N 3.41Å; E803-R806 WeakPolarHBondContact O-CB 3.37Å; E803-R806 PolarHBondContact O-N 3.05Å; E803-R807 PolarHBondContact O-N 3.43Å |
| 804 | L | 93.9 | Very high | 87.8 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 175.7 | -179.2 | 56.1 | 0 | 0 | 0 | 111.6 | Y784 K800 P801 R806 R807 V808 M850 Y854 L908 | Y784-L804 HydrophobicContact CD2-CD1 3.79Å; Y784-L804 HydrophobicContact CG-CD1 4.06Å; K800-L804 PolarHBondContact O-N 3.5Å; P801-L804 PolarHBondContact O-N 3.27Å; L804-R806 VanDerWaalsContact C-N 3.28Å; L804-R806 PolarHBondContact O-N 3.13Å; L804-R807 PolarHBondContact O-N 2.62Å; L804-R807 VanDerWaalsContact O-N 3.16Å; L804-V808 HydrophobicContact CD1-CG2 4.29Å; L804-V808 WeakPolarHBondContact O-CG2 3.38Å; L804-V808 PolarHBondContact O-N 3.48Å; L804-M850 HydrophobicContact CD2-CG 4.4Å; L804-M850 HydrophobicContact CD2-SD 3.66Å; L804-M850 HydrophobicContact CG-SD 4.33Å; L804-Y854 HydrophobicContact CD2-CE2 3.63Å; L804-Y854 WeakPolarHBondContact CD2-OH 3.38Å; L804-L908 HydrophobicContact CB-CD1 4.07Å; L804-L908 HydrophobicContact CD2-CD1 3.99Å; L804-L908 HydrophobicContact CG-CD1 3.94Å; L804-L908 HydrophobicContact CG-CD2 4.4Å |
| 805 | L | 95.7 | Very high | 90 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 7% | 0.068 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.3 | -37.3 | 175.9 | -180 | 60.3 | 0 | 0 | 0 | 112.1 | P801 V808 R809 A904 E907 L908 | P801-L805 VanDerWaalsContact O-CB 3.24Å; P801-L805 WeakPolarHBondContact O-CB 3.5Å; P801-L805 PolarHBondContact O-N 3.16Å; L805-V808 PolarHBondContact O-N 3Å; L805-R809 HydrophobicContact CD1-CG 4.23Å; L805-R809 WeakPolarHBondContact O-CB 3.25Å; L805-R809 VanDerWaalsContact O-CG 3.29Å; L805-R809 WeakPolarHBondContact O-CG 3.46Å; L805-R809 PolarHBondContact O-N 3.36Å; L805-A904 HydrophobicContact CB-CB 4.37Å; L805-A904 HydrophobicContact CD2-CB 3.75Å; L805-E907 HydrophobicContact CD1-CB 4.16Å; L805-E907 HydrophobicContact CD2-CB 4Å; L805-L908 HydrophobicContact CB-CD1 4.12Å; L805-L908 HydrophobicContact CB-CD2 4.22Å; L805-L908 HydrophobicContact CB-CG 4.06Å; L805-L908 HydrophobicContact CD1-CD2 3.95Å; L805-L908 HydrophobicContact CD1-CG 4.07Å |
| 806 | R | 94.2 | Very high | 91.9 | Very high | 45 Ų | 45 | 34.9 Ų | 34.9 | 17% | 0.17 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 174.3 | -170.7 | -179.5 | -46.3 | 105.1 | 6.4 | 111.1 | A646 S802 E803 L804 R809 A810 | A646-R806 HydrophobicContact CB-CG 3.81Å; A646-R806 WeakPolarHBondContact O-CD 3.17Å; S802-R806 WeakPolarHBondContact O-CB 3.1Å; S802-R806 PolarHBondContact O-N 3Å; E803-R806 WeakPolarHBondContact O-CB 3.37Å; E803-R806 PolarHBondContact O-N 3.05Å; L804-R806 VanDerWaalsContact C-N 3.28Å; L804-R806 PolarHBondContact O-N 3.13Å; R806-R809 PolarHBondContact O-N 2.84Å; R806-A810 WeakPolarHBondContact O-CB 3.29Å; R806-A810 PolarHBondContact O-N 2.95Å |
| 807 | R | 93.6 | Very high | 93.4 | Very high | 45 Ų | 45 | 34.5 Ų | 34.5 | 17% | 0.17 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 176 | -75.7 | -71.2 | -177.1 | 163 | -4.1 | 112.5 | D640 N644 D647 Y784 E803 L804 A810 L811 | D640-R807 IonicContact OD1-NH1 3.29Å; N644-R807 PolarHBondContact OD1-NH1 3.34Å; N644-R807 PolarHBondContact OD1-NH2 3.49Å; D647-R807 IonicContact OD1-NE 3.32Å; D647-R807 PolarHBondContact OD1-NE 3.17Å; D647-R807 IonicContact OD2-CZ 3.69Å; D647-R807 IonicContact OD2-NE 2.79Å; D647-R807 PolarHBondContact OD2-NE 2.87Å; D647-R807 IonicContact OD2-NH2 3.72Å; D647-R807 PolarHBondContact OD2-NH2 2.75Å; Y784-R807 HydrophobicContact CE2-CB 4.15Å; E803-R807 PolarHBondContact O-N 3.43Å; L804-R807 PolarHBondContact O-N 2.62Å; L804-R807 VanDerWaalsContact O-N 3.16Å; R807-A810 PolarHBondContact O-N 3.12Å; R807-L811 PolarHBondContact O-N 2.91Å |
| 808 | V | 95.8 | Very high | 94 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 174.8 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | L781 L804 L805 A810 L811 M812 F834 L908 | L781-V808 HydrophobicContact CD2-CG2 4.08Å; L804-V808 HydrophobicContact CD1-CG2 4.29Å; L804-V808 WeakPolarHBondContact O-CG2 3.38Å; L804-V808 PolarHBondContact O-N 3.48Å; L805-V808 PolarHBondContact O-N 3Å; V808-A810 PolarHBondContact O-N 3.48Å; V808-L811 WeakPolarHBondContact O-CB 3.34Å; V808-L811 PolarHBondContact O-N 3.12Å; V808-M812 HydrophobicContact CG1-SD 4.3Å; V808-M812 WeakPolarHBondContact O-CG 3.35Å; V808-M812 PolarHBondContact O-N 2.88Å; V808-F834 HydrophobicContact CG1-CD1 4.33Å; V808-F834 HydrophobicContact CG1-CE1 3.6Å; V808-F834 HydrophobicContact CG1-CZ 4.02Å; V808-L908 HydrophobicContact CB-CD2 4.06Å; V808-L908 HydrophobicContact CG1-CD2 4.32Å; V808-L908 HydrophobicContact CG2-CD2 3.78Å |
| 809 | R | 95.6 | Very high | 94.3 | Very high | 100 Ų | 100 | 35 Ų | 35 | 38% | 0.377 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 175.9 | -75.7 | 173.9 | 176 | 167.4 | -0.3 | 112.4 | L805 R806 L811 M812 N813 E907 | L805-R809 HydrophobicContact CD1-CG 4.23Å; L805-R809 WeakPolarHBondContact O-CB 3.25Å; L805-R809 VanDerWaalsContact O-CG 3.29Å; L805-R809 WeakPolarHBondContact O-CG 3.46Å; L805-R809 PolarHBondContact O-N 3.36Å; R806-R809 PolarHBondContact O-N 2.84Å; R809-L811 VanDerWaalsContact C-N 3.34Å; R809-M812 PolarHBondContact O-N 3.43Å; R809-N813 VanDerWaalsContact O-CG 3.24Å; R809-N813 PolarHBondContact O-N 2.94Å; R809-N813 PolarHBondContact O-ND2 3.47Å; R809-E907 IonicContact CZ-OE2 2.61Å; R809-E907 IonicContact NH2-OE1 2.78Å; R809-E907 PolarHBondContact NH2-OE1 2.91Å; R809-E907 IonicContact NH2-OE2 3.43Å; R809-E907 PolarHBondContact NH2-OE2 3.13Å |
| 810 | A | 94.2 | Very high | 94.4 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F642 A646 R806 R807 V808 N813 A814 | F642-A810 HydrophobicContact CB-CB 4.19Å; A646-A810 HydrophobicContact CB-CB 3.95Å; R806-A810 WeakPolarHBondContact O-CB 3.29Å; R806-A810 PolarHBondContact O-N 2.95Å; R807-A810 PolarHBondContact O-N 3.12Å; V808-A810 PolarHBondContact O-N 3.48Å; A810-N813 PolarHBondContact O-N 3.12Å; A810-A814 PolarHBondContact O-N 3.25Å |
| 811 | L | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | 172.8 | 177.7 | 161.9 | 0 | 0 | 0 | 111.7 | I639 I777 L780 L781 R807 V808 R809 N813 A814 L815 F834 | I639-L811 HydrophobicContact CD1-CG 4.28Å; I639-L811 HydrophobicContact CG1-CG 4.47Å; I639-L811 HydrophobicContact CG2-CB 3.97Å; I639-L811 HydrophobicContact CG2-CD1 4.19Å; I639-L811 HydrophobicContact CG2-CG 4.01Å; I777-L811 HydrophobicContact CG2-CD1 4.27Å; I777-L811 HydrophobicContact CG2-CD2 4.27Å; L780-L811 HydrophobicContact CD2-CD1 3.57Å; L780-L811 HydrophobicContact CG-CD1 4.38Å; L781-L811 HydrophobicContact CD2-CD1 4.31Å; R807-L811 PolarHBondContact O-N 2.91Å; V808-L811 WeakPolarHBondContact O-CB 3.34Å; V808-L811 PolarHBondContact O-N 3.12Å; R809-L811 VanDerWaalsContact C-N 3.34Å; L811-N813 VanDerWaalsContact C-N 3.3Å; L811-N813 PolarHBondContact O-N 2.98Å; L811-A814 PolarHBondContact O-N 3.48Å; L811-L815 HydrophobicContact CD2-CD1 4.04Å; L811-L815 PolarHBondContact O-N 3.38Å; L811-L815 VanDerWaalsContact O-N 3.13Å; L811-F834 HydrophobicContact CD2-CZ 3.92Å |
| 812 | M | 95.6 | Very high | 94.5 | Very high | 56 Ų | 56 | 40.1 Ų | 40.1 | 28% | 0.276 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.1 | -42.1 | 176.7 | -69.3 | 177.6 | 76.1 | 0 | 0 | 111.8 | V808 R809 A814 L815 I816 F830 F834 | V808-M812 HydrophobicContact CG1-SD 4.3Å; V808-M812 WeakPolarHBondContact O-CG 3.35Å; V808-M812 PolarHBondContact O-N 2.88Å; R809-M812 PolarHBondContact O-N 3.43Å; M812-A814 VanDerWaalsContact C-N 3.35Å; M812-A814 PolarHBondContact O-N 3.28Å; M812-L815 PolarHBondContact O-N 2.77Å; M812-I816 WeakPolarHBondContact O-CG1 3.48Å; M812-I816 PolarHBondContact O-N 2.9Å; M812-F830 HydrophobicContact CB-CE1 4.13Å; M812-F830 HydrophobicContact CB-CZ 3.81Å; M812-F830 HydrophobicContact CE-CD2 3.96Å; M812-F830 HydrophobicContact CE-CE1 4.44Å; M812-F830 HydrophobicContact CE-CE2 3.83Å; M812-F830 HydrophobicContact CE-CG 4.35Å; M812-F830 HydrophobicContact CE-CZ 4.08Å; M812-F830 HydrophobicContact CG-CE1 3.95Å; M812-F830 HydrophobicContact CG-CZ 4.03Å; M812-F834 HydrophobicContact CE-CE2 4.32Å; M812-F834 HydrophobicContact CG-CE2 3.63Å; M812-F834 HydrophobicContact CG-CZ 3.61Å; M812-F834 HydrophobicContact SD-CE2 4.06Å; M812-F834 HydrophobicContact SD-CZ 4.23Å |
| 813 | N | 95.3 | Very high | 94.4 | Very high | 87 Ų | 87 | 42.6 Ų | 42.6 | 47% | 0.465 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.1 | -38.9 | 177.7 | -71.1 | -21.2 | 0 | 0 | 0 | 112.3 | F642 R809 A810 L811 L815 I816 D817 | F642-N813 HydrophobicContact CD1-CB 3.97Å; F642-N813 HydrophobicContact CE1-CB 4.11Å; R809-N813 VanDerWaalsContact O-CG 3.24Å; R809-N813 PolarHBondContact O-N 2.94Å; R809-N813 PolarHBondContact O-ND2 3.47Å; A810-N813 PolarHBondContact O-N 3.12Å; L811-N813 VanDerWaalsContact C-N 3.3Å; L811-N813 PolarHBondContact O-N 2.98Å; N813-L815 VanDerWaalsContact C-N 3.28Å; N813-L815 PolarHBondContact O-N 3.45Å; N813-I816 PolarHBondContact O-N 2.96Å; N813-D817 WeakPolarHBondContact O-CB 3.43Å; N813-D817 PolarHBondContact O-N 3.37Å |
| 814 | A | 94.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.1 | -34.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I639 F642 A810 L811 M812 L818 | I639-A814 HydrophobicContact CG1-CB 3.69Å; F642-A814 HydrophobicContact CD1-CB 4.05Å; F642-A814 HydrophobicContact CE1-CB 4.41Å; F642-A814 HydrophobicContact CG-CB 4.16Å; A810-A814 PolarHBondContact O-N 3.25Å; L811-A814 PolarHBondContact O-N 3.48Å; M812-A814 VanDerWaalsContact C-N 3.35Å; M812-A814 PolarHBondContact O-N 3.28Å; A814-L818 PolarHBondContact O-N 2.81Å; A814-L818 VanDerWaalsContact O-N 3.07Å |
| 815 | L | 95.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73.4 | -38.9 | 174.4 | -75.1 | -179.7 | 0 | 0 | 0 | 113.7 | L635 I773 I777 L811 M812 N813 D817 L818 E819 V826 L829 F830 | L635-L815 HydrophobicContact CD1-CD2 4.36Å; L635-L815 HydrophobicContact CD2-CD2 3.96Å; I773-L815 HydrophobicContact CG2-CD2 3.91Å; I777-L815 HydrophobicContact CD1-CD1 3.43Å; I777-L815 VanDerWaalsContact CD1-CD1 3.43Å; I777-L815 HydrophobicContact CD1-CD2 4Å; I777-L815 HydrophobicContact CD1-CG 4.15Å; L811-L815 HydrophobicContact CD2-CD1 4.04Å; L811-L815 PolarHBondContact O-N 3.38Å; L811-L815 VanDerWaalsContact O-N 3.13Å; M812-L815 PolarHBondContact O-N 2.77Å; N813-L815 VanDerWaalsContact C-N 3.28Å; N813-L815 PolarHBondContact O-N 3.45Å; L815-D817 VanDerWaalsContact C-N 3.29Å; L815-L818 HydrophobicContact CD2-CD2 4.25Å; L815-L818 WeakPolarHBondContact O-CB 3.37Å; L815-L818 PolarHBondContact O-N 3.48Å; L815-E819 PolarHBondContact O-N 3.38Å; L815-V826 HydrophobicContact CB-CG1 4.12Å; L815-L829 HydrophobicContact CD1-CD2 3.58Å; L815-L829 HydrophobicContact CD2-CD2 4.03Å; L815-L829 HydrophobicContact CG-CD2 4.41Å; L815-F830 HydrophobicContact CB-CE1 3.95Å; L815-F830 HydrophobicContact CB-CZ 4.12Å; L815-F830 HydrophobicContact CD1-CD1 4.11Å; L815-F830 HydrophobicContact CD1-CE1 3.46Å; L815-F830 VanDerWaalsContact CD1-CE1 3.46Å; L815-F830 HydrophobicContact CD1-CZ 4.41Å; L815-F830 HydrophobicContact CG-CE1 4.37Å |
| 816 | I | 95.2 | Very high | 94.4 | Very high | 77 Ų | 77 | 43.6 Ų | 43.6 | 40% | 0.395 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.6 | -40.1 | 173.8 | -67.6 | 163.1 | 0 | 0 | 0 | 110 | M812 N813 L818 E819 F830 | M812-I816 WeakPolarHBondContact O-CG1 3.48Å; M812-I816 PolarHBondContact O-N 2.9Å; N813-I816 PolarHBondContact O-N 2.96Å; I816-L818 VanDerWaalsContact C-N 3.32Å; I816-L818 PolarHBondContact O-N 2.9Å; I816-E819 WeakPolarHBondContact O-CB 3.49Å; I816-E819 PolarHBondContact O-N 2.56Å; I816-F830 HydrophobicContact CD1-CE2 4.23Å; I816-F830 HydrophobicContact CD1-CZ 4.33Å; I816-F830 HydrophobicContact CG1-CE2 4.05Å; I816-F830 HydrophobicContact CG1-CZ 4Å |
| 817 | D | 92.8 | Very high | 94.4 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.2 | -38.6 | 175 | -175.1 | 63.7 | 0 | 0 | 0 | 112.2 | R638 N813 L815 E819 N820 | R638-D817 IonicContact CZ-OD2 3.78Å; R638-D817 IonicContact NE-OD2 2.8Å; R638-D817 IonicContact NH2-OD2 2.72Å; R638-D817 PolarHBondContact NH2-OD2 3.38Å; N813-D817 WeakPolarHBondContact O-CB 3.43Å; N813-D817 PolarHBondContact O-N 3.37Å; L815-D817 VanDerWaalsContact C-N 3.29Å; D817-E819 VanDerWaalsContact C-N 3.29Å; D817-E819 PolarHBondContact O-N 2.97Å; D817-N820 WeakPolarHBondContact O-CB 3.31Å; D817-N820 PolarHBondContact O-N 2.92Å; D817-N820 PolarHBondContact O-ND2 3.4Å |
| 818 | L | 94.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.2 | -35.2 | 175.3 | 178.5 | 67.9 | 0 | 0 | 0 | 112.9 | L635 L743 I773 A814 L815 I816 N820 H821 V822 I824 | L635-L818 HydrophobicContact CD1-CB 4.25Å; L635-L818 HydrophobicContact CD1-CD2 3.92Å; L635-L818 HydrophobicContact CD1-CG 4.48Å; L635-L818 HydrophobicContact CD2-CD2 3.73Å; L635-L818 HydrophobicContact CG-CD2 4.39Å; L743-L818 HydrophobicContact CD1-CD1 3.75Å; L743-L818 HydrophobicContact CD2-CD1 3.81Å; L743-L818 HydrophobicContact CG-CD1 3.99Å; I773-L818 HydrophobicContact CD1-CD2 3.69Å; A814-L818 PolarHBondContact O-N 2.81Å; A814-L818 VanDerWaalsContact O-N 3.07Å; L815-L818 HydrophobicContact CD2-CD2 4.25Å; L815-L818 WeakPolarHBondContact O-CB 3.37Å; L815-L818 PolarHBondContact O-N 3.48Å; I816-L818 VanDerWaalsContact C-N 3.32Å; I816-L818 PolarHBondContact O-N 2.9Å; L818-N820 PolarHBondContact O-N 2.79Å; L818-H821 WeakPolarHBondContact O-CA 3.39Å; L818-H821 PolarHBondContact O-N 3.02Å; L818-V822 HydrophobicContact CD1-CG1 3.93Å; L818-V822 HydrophobicContact CD2-CG1 4.37Å; L818-V822 HydrophobicContact CG-CG1 3.8Å; L818-V822 PolarHBondContact O-N 3.17Å; L818-V822 VanDerWaalsContact O-N 3.07Å; L818-I824 HydrophobicContact CD2-CD1 3.88Å; L818-I824 HydrophobicContact CG-CD1 4.45Å |
| 819 | E | 92.2 | Very high | 94.4 | Very high | 87 Ų | 87 | 45.6 Ų | 45.6 | 41% | 0.407 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59 | -27.8 | 178.6 | -160.1 | 175.8 | -177.2 | 0 | 0 | 112.5 | L815 I816 D817 H821 V826 | L815-E819 PolarHBondContact O-N 3.38Å; I816-E819 WeakPolarHBondContact O-CB 3.49Å; I816-E819 PolarHBondContact O-N 2.56Å; D817-E819 VanDerWaalsContact C-N 3.29Å; D817-E819 PolarHBondContact O-N 2.97Å; E819-H821 PolarHBondContact O-N 3.38Å; E819-V826 HydrophobicContact CB-CG2 3.85Å; E819-V826 HydrophobicContact CG-CG2 3.97Å |
| 820 | N | 92.6 | Very high | 94.4 | Very high | 125 Ų | 125 | 42.3 Ų | 42.3 | 67% | 0.668 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17.3 | 174.7 | -60.5 | -48.8 | 0 | 0 | 0 | 113 | D817 L818 | D817-N820 WeakPolarHBondContact O-CB 3.31Å; D817-N820 PolarHBondContact O-N 2.92Å; D817-N820 PolarHBondContact O-ND2 3.4Å; L818-N820 PolarHBondContact O-N 2.79Å |
| 821 | H | 94.5 | Very high | 94.4 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 26% | 0.264 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -30.8 | -178.2 | -64 | -46.9 | 0 | 0 | 0 | 113 | C747 N751 L818 E819 | C747-H821 HydrophobicContact CB-CB 3.74Å; C747-H821 WeakPolarHBondContact CB-O 3.48Å; N751-H821 PolarHBondContact ND2-O 3.3Å; L818-H821 WeakPolarHBondContact O-CA 3.39Å; L818-H821 PolarHBondContact O-N 3.02Å; E819-H821 PolarHBondContact O-N 3.38Å |
| 822 | V | 96.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -138 | 136.6 | -176.8 | 68.1 | 0 | 0 | 0 | 0 | 112 | C747 V750 N751 R766 L769 L818 I824 | C747-V822 HydrophobicContact CB-CB 3.95Å; V750-V822 HydrophobicContact CG1-CG2 4.21Å; N751-V822 WeakPolarHBondContact OD1-CG2 3.46Å; R766-V822 HydrophobicContact CG-CG2 4.48Å; L769-V822 HydrophobicContact CD2-CG1 4.22Å; L769-V822 HydrophobicContact CD2-CG2 3.92Å; L818-V822 HydrophobicContact CD1-CG1 3.93Å; L818-V822 HydrophobicContact CD2-CG1 4.37Å; L818-V822 HydrophobicContact CG-CG1 3.8Å; L818-V822 PolarHBondContact O-N 3.17Å; L818-V822 VanDerWaalsContact O-N 3.07Å; V822-I824 HydrophobicContact CG1-CD1 4.06Å; V822-I824 HydrophobicContact CG1-CG1 4.09Å; V822-I824 HydrophobicContact CG1-CG2 4.15Å; V822-I824 HydrophobicContact CG2-CG2 4.14Å; V822-I824 PolarHBondContact O-N 3.05Å |
| 823 | C | 92 | Very high | 94.2 | Very high | 83 Ų | 83 | 44.8 Ų | 44.8 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | trans | -81.3 | 79.3 | -178 | -59 | 0 | 0 | 0 | 0 | 111.6 | N751 R766 | N751-C823 PolarHBondContact OD1-N 3.45Å; R766-C823 WeakPolarHBondContact CD-O 2.86Å | ||
| 824 | I | 93.2 | Very high | 94.1 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | trans | -119 | 157.6 | 174.9 | 62.3 | 177.2 | 0 | 0 | 0 | 111.1 | L769 Q770 I773 L818 V822 V826 | L769-I824 HydrophobicContact CD2-CG2 4.44Å; Q770-I824 HydrophobicContact CB-CG2 4.43Å; I773-I824 HydrophobicContact CD1-CD1 3.82Å; L818-I824 HydrophobicContact CD2-CD1 3.88Å; L818-I824 HydrophobicContact CG-CD1 4.45Å; V822-I824 HydrophobicContact CG1-CD1 4.06Å; V822-I824 HydrophobicContact CG1-CG1 4.09Å; V822-I824 HydrophobicContact CG1-CG2 4.15Å; V822-I824 HydrophobicContact CG2-CG2 4.14Å; V822-I824 PolarHBondContact O-N 3.05Å; I824-V826 HydrophobicContact CD1-CG2 4.24Å; I824-V826 HydrophobicContact CG1-CG2 3.92Å; I824-V826 PolarHBondContact O-N 3.11Å; I824-V826 VanDerWaalsContact O-N 3.12Å | ||
| 825 | D | 94.2 | Very high | 94 | Very high | 83 Ų | 83 | 46 Ų | 46 | 44% | 0.444 | 26% | 0.255 | S | S | . | . | trans | -83.9 | 84.8 | 178.3 | -178.8 | 12.6 | 0 | 0 | 0 | 111.4 | I827 G828 L829 | D825-I827 VanDerWaalsContact C-N 3.28Å; D825-I827 PolarHBondContact O-N 3.42Å; D825-I827 PolarHBondContact OD1-N 2.72Å; D825-G828 VanDerWaalsContact CG-N 3.31Å; D825-G828 PolarHBondContact O-N 3.06Å; D825-G828 PolarHBondContact OD1-N 3.04Å; D825-G828 WeakPolarHBondContact OD2-CA 3.41Å; D825-G828 PolarHBondContact OD2-N 2.74Å; D825-L829 WeakPolarHBondContact O-CB 3.33Å; D825-L829 PolarHBondContact O-N 2.89Å | ||
| 826 | V | 94.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.5 | -32.7 | 178.7 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | L815 E819 I824 L829 F830 | L815-V826 HydrophobicContact CB-CG1 4.12Å; E819-V826 HydrophobicContact CB-CG2 3.85Å; E819-V826 HydrophobicContact CG-CG2 3.97Å; I824-V826 HydrophobicContact CD1-CG2 4.24Å; I824-V826 HydrophobicContact CG1-CG2 3.92Å; I824-V826 PolarHBondContact O-N 3.11Å; I824-V826 VanDerWaalsContact O-N 3.12Å; V826-L829 WeakPolarHBondContact O-CB 3.11Å; V826-L829 PolarHBondContact O-N 3.06Å; V826-F830 HydrophobicContact CG1-CD1 4.32Å; V826-F830 HydrophobicContact CG1-CD2 4.17Å; V826-F830 HydrophobicContact CG1-CE1 3.91Å; V826-F830 HydrophobicContact CG1-CE2 3.68Å; V826-F830 HydrophobicContact CG1-CG 4.47Å; V826-F830 HydrophobicContact CG1-CZ 3.55Å; V826-F830 VanDerWaalsContact O-CG 3.28Å; V826-F830 WeakPolarHBondContact O-CG 3.33Å; V826-F830 PolarHBondContact O-N 3.14Å |
| 827 | I | 94.4 | Very high | 93.9 | Very high | 119 Ų | 119 | 44.7 Ų | 44.7 | 61% | 0.61 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -67.7 | -45.4 | 177.9 | -61.3 | 173.2 | 0 | 0 | 0 | 110.3 | D825 L829 F830 S831 | D825-I827 VanDerWaalsContact C-N 3.28Å; D825-I827 PolarHBondContact O-N 3.42Å; D825-I827 PolarHBondContact OD1-N 2.72Å; I827-L829 VanDerWaalsContact C-N 3.31Å; I827-F830 PolarHBondContact O-N 3.01Å; I827-S831 WeakPolarHBondContact O-CB 3.37Å; I827-S831 PolarHBondContact O-N 3.16Å; I827-S831 PolarHBondContact O-OG 3.27Å |
| 828 | G | 94.8 | Very high | 94 | Very high | 16 Ų | 16 | 44 Ų | 44 | 17% | 0.165 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D825 S831 T832 | D825-G828 VanDerWaalsContact CG-N 3.31Å; D825-G828 PolarHBondContact O-N 3.06Å; D825-G828 PolarHBondContact OD1-N 3.04Å; D825-G828 WeakPolarHBondContact OD2-CA 3.41Å; D825-G828 PolarHBondContact OD2-N 2.74Å; G828-S831 PolarHBondContact O-N 2.84Å; G828-T832 VanDerWaalsContact O-CB 3.31Å; G828-T832 WeakPolarHBondContact O-CB 3.4Å; G828-T832 PolarHBondContact O-N 3.02Å; G828-T832 PolarHBondContact O-OG1 3.44Å |
| 829 | L | 95 | Very high | 94 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.3 | -50 | 174.5 | -176.7 | 72.9 | 0 | 0 | 0 | 111.5 | I773 Q774 I777 L815 D825 V826 I827 S831 T832 V833 | I773-L829 HydrophobicContact CG2-CD1 4.26Å; I773-L829 HydrophobicContact CG2-CD2 3.64Å; Q774-L829 HydrophobicContact CB-CD1 3.58Å; Q774-L829 HydrophobicContact CG-CD1 4.16Å; I777-L829 HydrophobicContact CD1-CD2 4.1Å; L815-L829 HydrophobicContact CD1-CD2 3.58Å; L815-L829 HydrophobicContact CD2-CD2 4.03Å; L815-L829 HydrophobicContact CG-CD2 4.41Å; D825-L829 WeakPolarHBondContact O-CB 3.33Å; D825-L829 PolarHBondContact O-N 2.89Å; V826-L829 WeakPolarHBondContact O-CB 3.11Å; V826-L829 PolarHBondContact O-N 3.06Å; I827-L829 VanDerWaalsContact C-N 3.31Å; L829-S831 PolarHBondContact O-N 3.47Å; L829-T832 PolarHBondContact O-N 3.11Å; L829-V833 HydrophobicContact CD1-CG2 4.31Å; L829-V833 WeakPolarHBondContact O-CB 3.45Å; L829-V833 WeakPolarHBondContact O-CG2 3.5Å; L829-V833 PolarHBondContact O-N 3.24Å |
| 830 | F | 94.8 | Very high | 94.2 | Very high | 31 Ų | 31 | 45.9 Ų | 45.9 | 14% | 0.136 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 176.4 | -70.2 | -17.4 | 0 | 0 | 0 | 112.1 | M812 L815 I816 V826 I827 T832 V833 F834 | M812-F830 HydrophobicContact CB-CE1 4.13Å; M812-F830 HydrophobicContact CB-CZ 3.81Å; M812-F830 HydrophobicContact CE-CD2 3.96Å; M812-F830 HydrophobicContact CE-CE1 4.44Å; M812-F830 HydrophobicContact CE-CE2 3.83Å; M812-F830 HydrophobicContact CE-CG 4.35Å; M812-F830 HydrophobicContact CE-CZ 4.08Å; M812-F830 HydrophobicContact CG-CE1 3.95Å; M812-F830 HydrophobicContact CG-CZ 4.03Å; L815-F830 HydrophobicContact CB-CE1 3.95Å; L815-F830 HydrophobicContact CB-CZ 4.12Å; L815-F830 HydrophobicContact CD1-CD1 4.11Å; L815-F830 HydrophobicContact CD1-CE1 3.46Å; L815-F830 VanDerWaalsContact CD1-CE1 3.46Å; L815-F830 HydrophobicContact CD1-CZ 4.41Å; L815-F830 HydrophobicContact CG-CE1 4.37Å; I816-F830 HydrophobicContact CD1-CE2 4.23Å; I816-F830 HydrophobicContact CD1-CZ 4.33Å; I816-F830 HydrophobicContact CG1-CE2 4.05Å; I816-F830 HydrophobicContact CG1-CZ 4Å; V826-F830 HydrophobicContact CG1-CD1 4.32Å; V826-F830 HydrophobicContact CG1-CD2 4.17Å; V826-F830 HydrophobicContact CG1-CE1 3.91Å; V826-F830 HydrophobicContact CG1-CE2 3.68Å; V826-F830 HydrophobicContact CG1-CG 4.47Å; V826-F830 HydrophobicContact CG1-CZ 3.55Å; V826-F830 VanDerWaalsContact O-CG 3.28Å; V826-F830 WeakPolarHBondContact O-CG 3.33Å; V826-F830 PolarHBondContact O-N 3.14Å; I827-F830 PolarHBondContact O-N 3.01Å; F830-T832 VanDerWaalsContact C-N 3.26Å; F830-T832 PolarHBondContact O-N 3.37Å; F830-V833 PolarHBondContact O-N 3.06Å; F830-F834 HydrophobicContact CB-CD2 3.94Å; F830-F834 HydrophobicContact CB-CE2 4.3Å; F830-F834 AromaticContact CD1-CD2 3.98Å; F830-F834 HydrophobicContact CD1-CD2 3.98Å; F830-F834 AromaticContact CD1-CE2 3.44Å; F830-F834 HydrophobicContact CD1-CE2 3.44Å; F830-F834 VanDerWaalsContact CD1-CE2 3.44Å; F830-F834 AromaticContact CE1-CE2 3.92Å; F830-F834 HydrophobicContact CE1-CE2 3.92Å; F830-F834 HydrophobicContact CG-CD2 4.2Å; F830-F834 HydrophobicContact CG-CE2 4.05Å; F830-F834 WeakPolarHBondContact O-CB 3.43Å; F830-F834 WeakPolarHBondContact O-CD2 3.4Å; F830-F834 PolarHBondContact O-N 3.23Å |
| 831 | S | 93.9 | Very high | 94.3 | Very high | 68 Ų | 68 | 43 Ų | 43 | 48% | 0.476 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.4 | -38.4 | 179.9 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | I827 G828 L829 T835 | I827-S831 WeakPolarHBondContact O-CB 3.37Å; I827-S831 PolarHBondContact O-N 3.16Å; I827-S831 PolarHBondContact O-OG 3.27Å; G828-S831 PolarHBondContact O-N 2.84Å; L829-S831 PolarHBondContact O-N 3.47Å; S831-T835 WeakPolarHBondContact O-CB 3.48Å; S831-T835 PolarHBondContact O-OG1 3.08Å |
| 832 | T | 93.6 | Very high | 94.1 | Very high | 44 Ų | 44 | 41 Ų | 41 | 27% | 0.27 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -72.1 | -47.8 | -179.4 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | Q774 G828 L829 F830 Q836 F844 | Q774-T832 HydrophobicContact CG-CG2 4.42Å; G828-T832 VanDerWaalsContact O-CB 3.31Å; G828-T832 WeakPolarHBondContact O-CB 3.4Å; G828-T832 PolarHBondContact O-N 3.02Å; G828-T832 PolarHBondContact O-OG1 3.44Å; L829-T832 PolarHBondContact O-N 3.11Å; F830-T832 VanDerWaalsContact C-N 3.26Å; F830-T832 PolarHBondContact O-N 3.37Å; T832-Q836 WeakPolarHBondContact O-CG 3.24Å; T832-Q836 PolarHBondContact O-NE2 3.4Å; T832-F844 HydrophobicContact CG2-CE2 3.89Å; T832-F844 HydrophobicContact CG2-CZ 3.47Å; T832-F844 VanDerWaalsContact CG2-CZ 3.47Å |
| 833 | V | 93.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -80.9 | -55.3 | -171.9 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | Q774 I777 I778 L781 L829 F830 T835 Q836 | Q774-V833 HydrophobicContact CG-CG2 3.88Å; I777-V833 HydrophobicContact CG2-CG1 3.77Å; I778-V833 HydrophobicContact CG1-CG1 4.13Å; I778-V833 HydrophobicContact CG1-CG2 4.15Å; L781-V833 HydrophobicContact CD1-CG1 3.54Å; L829-V833 HydrophobicContact CD1-CG2 4.31Å; L829-V833 WeakPolarHBondContact O-CB 3.45Å; L829-V833 WeakPolarHBondContact O-CG2 3.5Å; L829-V833 PolarHBondContact O-N 3.24Å; F830-V833 PolarHBondContact O-N 3.06Å; V833-T835 VanDerWaalsContact C-N 3.34Å; V833-T835 PolarHBondContact O-N 3.17Å; V833-Q836 WeakPolarHBondContact O-CB 3.32Å; V833-Q836 WeakPolarHBondContact O-CG 3.46Å; V833-Q836 PolarHBondContact O-N 3.26Å |
| 834 | F | 94.1 | Very high | 93.5 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.1 | -30.7 | -171.9 | -66.8 | -62 | 0 | 0 | 0 | 112.9 | L781 V808 L811 M812 F830 Q836 H837 | L781-F834 HydrophobicContact CD1-CD1 3.9Å; L781-F834 HydrophobicContact CD1-CE1 3.66Å; L781-F834 HydrophobicContact CD2-CE1 4.24Å; V808-F834 HydrophobicContact CG1-CD1 4.33Å; V808-F834 HydrophobicContact CG1-CE1 3.6Å; V808-F834 HydrophobicContact CG1-CZ 4.02Å; L811-F834 HydrophobicContact CD2-CZ 3.92Å; M812-F834 HydrophobicContact CE-CE2 4.32Å; M812-F834 HydrophobicContact CG-CE2 3.63Å; M812-F834 HydrophobicContact CG-CZ 3.61Å; M812-F834 HydrophobicContact SD-CE2 4.06Å; M812-F834 HydrophobicContact SD-CZ 4.23Å; F830-F834 HydrophobicContact CB-CD2 3.94Å; F830-F834 HydrophobicContact CB-CE2 4.3Å; F830-F834 AromaticContact CD1-CD2 3.98Å; F830-F834 HydrophobicContact CD1-CD2 3.98Å; F830-F834 AromaticContact CD1-CE2 3.44Å; F830-F834 HydrophobicContact CD1-CE2 3.44Å; F830-F834 VanDerWaalsContact CD1-CE2 3.44Å; F830-F834 AromaticContact CE1-CE2 3.92Å; F830-F834 HydrophobicContact CE1-CE2 3.92Å; F830-F834 HydrophobicContact CG-CD2 4.2Å; F830-F834 HydrophobicContact CG-CE2 4.05Å; F830-F834 WeakPolarHBondContact O-CB 3.43Å; F830-F834 WeakPolarHBondContact O-CD2 3.4Å; F830-F834 PolarHBondContact O-N 3.23Å; F834-Q836 PolarHBondContact O-N 3.24Å; F834-H837 WeakPolarHBondContact O-CB 3.47Å; F834-H837 PolarHBondContact O-N 2.99Å; F834-H837 VanDerWaalsContact O-N 3.08Å |
| 835 | T | 92.9 | Very high | 93.2 | Very high | 77 Ų | 77 | 50.2 Ų | 50.2 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.3 | -27.6 | 177.5 | -53.1 | 0 | 0 | 0 | 0 | 112.2 | S831 V833 H837 T838 | S831-T835 WeakPolarHBondContact O-CB 3.48Å; S831-T835 PolarHBondContact O-OG1 3.08Å; V833-T835 VanDerWaalsContact C-N 3.34Å; V833-T835 PolarHBondContact O-N 3.17Å; T835-H837 PolarHBondContact O-N 2.83Å; T835-T838 WeakPolarHBondContact O-CB 3.48Å; T835-T838 PolarHBondContact O-N 2.98Å; T835-T838 VanDerWaalsContact O-N 3.09Å; T835-T838 PolarHBondContact O-OG1 3.02Å |
| 836 | Q | 92.9 | Very high | 93 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.3 | -36.7 | 175.1 | -57.2 | -50.4 | -51.6 | 0 | 0 | 111.6 | T832 V833 F834 T838 Q839 D842 F844 | T832-Q836 WeakPolarHBondContact O-CG 3.24Å; T832-Q836 PolarHBondContact O-NE2 3.4Å; V833-Q836 WeakPolarHBondContact O-CB 3.32Å; V833-Q836 WeakPolarHBondContact O-CG 3.46Å; V833-Q836 PolarHBondContact O-N 3.26Å; F834-Q836 PolarHBondContact O-N 3.24Å; Q836-T838 PolarHBondContact O-N 2.83Å; Q836-T838 VanDerWaalsContact O-N 3.17Å; Q836-Q839 PolarHBondContact O-N 2.72Å; Q836-D842 HydrophobicContact CB-CB 4.08Å; Q836-D842 HydrophobicContact CG-CB 4.49Å; Q836-F844 HydrophobicContact CG-CD2 4.02Å; Q836-F844 HydrophobicContact CG-CE2 3.87Å |
| 837 | H | 95 | Very high | 92.7 | Very high | 14 Ų | 14 | 52.8 Ų | 52.8 | 7% | 0.065 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -5.4 | -177.2 | -67.6 | -88 | 0 | 0 | 0 | 114.4 | L781 F834 T835 Q839 M850 T851 | L781-H837 WeakPolarHBondContact CD1-NE2 3.29Å; F834-H837 WeakPolarHBondContact O-CB 3.47Å; F834-H837 PolarHBondContact O-N 2.99Å; F834-H837 VanDerWaalsContact O-N 3.08Å; T835-H837 PolarHBondContact O-N 2.83Å; H837-Q839 VanDerWaalsContact C-N 3.29Å; H837-M850 HydrophobicContact CB-CB 4.45Å; H837-M850 HydrophobicContact CB-CE 3.49Å; H837-M850 VanDerWaalsContact CB-CE 3.49Å; H837-M850 WeakPolarHBondContact ND1-CE 3.37Å; H837-T851 PolarHBondContact O-OG1 2.97Å |
| 838 | T | 94.4 | Very high | 92.6 | Very high | 28 Ų | 28 | 51.5 Ų | 51.5 | 17% | 0.172 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -12.3 | 172.2 | 70.9 | 0 | 0 | 0 | 0 | 113.7 | T835 Q836 I909 G913 | T835-T838 WeakPolarHBondContact O-CB 3.48Å; T835-T838 PolarHBondContact O-N 2.98Å; T835-T838 VanDerWaalsContact O-N 3.09Å; T835-T838 PolarHBondContact O-OG1 3.02Å; Q836-T838 PolarHBondContact O-N 2.83Å; Q836-T838 VanDerWaalsContact O-N 3.17Å; T838-I909 VanDerWaalsContact CA-O 3.26Å; T838-I909 WeakPolarHBondContact CA-O 3.32Å; T838-I909 WeakPolarHBondContact CB-O 3.48Å; T838-G913 PolarHBondContact O-N 2.64Å |
| 839 | Q | 95.4 | Very high | 92.6 | Very high | 93 Ų | 93 | 50.9 Ų | 50.9 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -110.4 | 154.6 | 176.5 | -62.8 | -58.7 | -32.6 | 0 | 0 | 109.6 | Q836 H837 V841 T849 | Q836-Q839 PolarHBondContact O-N 2.72Å; H837-Q839 VanDerWaalsContact C-N 3.29Å; Q839-V841 PolarHBondContact O-N 2.9Å; Q839-T849 WeakPolarHBondContact O-CB 3.45Å; Q839-T849 WeakPolarHBondContact O-CG2 3.28Å; Q839-T849 PolarHBondContact O-OG1 2.54Å |
| 840 | P | 95.2 | Very high | 92.6 | Very high | 34 Ų | 34 | 50.9 Ų | 50.9 | 22% | 0.221 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -66 | -21.7 | -179.6 | 26.8 | -35.5 | 0 | 0 | 0 | 113.8 | T849 T851 A852 F916 | P840-T849 PolarHBondContact O-N 3.48Å; P840-T849 VanDerWaalsContact O-N 3.11Å; P840-T851 HydrophobicContact CB-CG2 4.45Å; P840-A852 HydrophobicContact CB-CB 4.14Å; P840-A852 VanDerWaalsContact O-CB 3.25Å; P840-A852 WeakPolarHBondContact O-CB 3.1Å; P840-F916 HydrophobicContact CB-CD1 4.49Å; P840-F916 HydrophobicContact CB-CD2 4.5Å; P840-F916 HydrophobicContact CB-CE1 4Å; P840-F916 HydrophobicContact CB-CE2 4.02Å; P840-F916 HydrophobicContact CB-CZ 3.74Å; P840-F916 HydrophobicContact CG-CD2 4.28Å; P840-F916 HydrophobicContact CG-CE2 3.94Å; P840-F916 HydrophobicContact CG-CZ 4.19Å |
| 841 | V | 94.2 | Very high | 92.7 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -135.5 | 139.3 | -177.6 | -173.5 | 0 | 0 | 0 | 0 | 109.4 | Q839 G846 Q847 L848 | Q839-V841 PolarHBondContact O-N 2.9Å; V841-G846 VanDerWaalsContact CG1-CA 3.47Å; V841-G846 WeakPolarHBondContact CG1-O 3.35Å; V841-Q847 CarbonylContact C-O 3.57Å; V841-Q847 VanDerWaalsContact CA-O 3.28Å; V841-Q847 WeakPolarHBondContact CA-O 3.41Å; V841-Q847 WeakPolarHBondContact CG1-O 3.34Å; V841-L848 HydrophobicContact CG2-CD2 4.35Å |
| 842 | D | 90.6 | Very high | 92.7 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | trans | -79.2 | 146 | 177.6 | 88.2 | 92.7 | 0 | 0 | 0 | 112.4 | Q836 F844 R845 G846 Q847 T849 | Q836-D842 HydrophobicContact CB-CB 4.08Å; Q836-D842 HydrophobicContact CG-CB 4.49Å; D842-F844 VanDerWaalsContact C-N 3.34Å; D842-F844 PolarHBondContact O-N 2.72Å; D842-F844 WeakPolarHBondContact OD1-CA 3.46Å; D842-F844 WeakPolarHBondContact OD1-CB 3.02Å; D842-F844 PolarHBondContact OD1-N 3.13Å; D842-R845 PolarHBondContact OD1-N 3.22Å; D842-G846 WeakPolarHBondContact O-CA 3.26Å; D842-G846 PolarHBondContact O-N 2.66Å; D842-G846 PolarHBondContact OD2-N 2.91Å; D842-Q847 PolarHBondContact N-O 3.03Å; D842-Q847 WeakPolarHBondContact OD2-CA 3.16Å; D842-Q847 WeakPolarHBondContact OD2-CB 3.43Å; D842-Q847 PolarHBondContact OD2-N 3.46Å; D842-T849 HydrophobicContact CB-CG2 4.09Å | ||
| 843 | A | 90.3 | Very high | 92.8 | Very high | 88 Ų | 88 | 46 Ų | 46 | 73% | 0.727 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -15.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 844 | F | 86.9 | Confident | 92.8 | Very high | 94 Ų | 94 | 46 Ų | 46 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -41 | -175 | -65.5 | -78.2 | 0 | 0 | 0 | 112.3 | I778 T832 Q836 D842 | I778-F844 HydrophobicContact CD1-CD2 3.86Å; I778-F844 HydrophobicContact CD1-CE2 4.24Å; I778-F844 HydrophobicContact CD1-CG 4.24Å; T832-F844 HydrophobicContact CG2-CE2 3.89Å; T832-F844 HydrophobicContact CG2-CZ 3.47Å; T832-F844 VanDerWaalsContact CG2-CZ 3.47Å; Q836-F844 HydrophobicContact CG-CD2 4.02Å; Q836-F844 HydrophobicContact CG-CE2 3.87Å; D842-F844 VanDerWaalsContact C-N 3.34Å; D842-F844 PolarHBondContact O-N 2.72Å; D842-F844 WeakPolarHBondContact OD1-CA 3.46Å; D842-F844 WeakPolarHBondContact OD1-CB 3.02Å; D842-F844 PolarHBondContact OD1-N 3.13Å |
| 845 | R | 85.9 | Confident | 92.9 | Very high | 108 Ų | 108 | 44.2 Ų | 44.2 | 41% | 0.408 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -13.8 | -172.2 | -59 | -173.4 | 179 | -159.9 | 9.1 | 113.7 | D779 D842 Q847 | D779-R845 IonicContact OD1-CZ 2.86Å; D779-R845 IonicContact OD1-NH1 3.66Å; D779-R845 PolarHBondContact OD1-NH1 2.86Å; D779-R845 IonicContact OD1-NH2 3.29Å; D779-R845 PolarHBondContact OD1-NH2 2.67Å; D779-R845 IonicContact OD2-CZ 2.82Å; D779-R845 IonicContact OD2-NH1 3.02Å; D779-R845 IonicContact OD2-NH2 2.71Å; D779-R845 PolarHBondContact OD2-NH2 2.83Å; D842-R845 PolarHBondContact OD1-N 3.22Å; R845-Q847 VanDerWaalsContact C-N 3.29Å; R845-Q847 HydrophobicContact CB-CG 3.9Å |
| 846 | G | 89.1 | Confident | 93 | Very high | 53 Ų | 53 | 45.6 Ų | 45.6 | 55% | 0.546 | 25% | 0.25 | S | S | . | . | trans | 72 | 23 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V841 D842 | V841-G846 VanDerWaalsContact CG1-CA 3.47Å; V841-G846 WeakPolarHBondContact CG1-O 3.35Å; D842-G846 WeakPolarHBondContact O-CA 3.26Å; D842-G846 PolarHBondContact O-N 2.66Å; D842-G846 PolarHBondContact OD2-N 2.91Å | ||
| 847 | Q | 89.3 | Confident | 93.1 | Very high | 85 Ų | 85 | 44.6 Ų | 44.6 | 40% | 0.397 | 25% | 0.245 | S | C | . | . | trans | -88.6 | 153.6 | 179 | -64.7 | -175.9 | -31.9 | 0 | 0 | 111.7 | V841 D842 R845 | V841-Q847 CarbonylContact C-O 3.57Å; V841-Q847 VanDerWaalsContact CA-O 3.28Å; V841-Q847 WeakPolarHBondContact CA-O 3.41Å; V841-Q847 WeakPolarHBondContact CG1-O 3.34Å; D842-Q847 PolarHBondContact N-O 3.03Å; D842-Q847 WeakPolarHBondContact OD2-CA 3.16Å; D842-Q847 WeakPolarHBondContact OD2-CB 3.43Å; D842-Q847 PolarHBondContact OD2-N 3.46Å; R845-Q847 VanDerWaalsContact C-N 3.29Å; R845-Q847 HydrophobicContact CB-CG 3.9Å | ||
| 848 | L | 92.5 | Very high | 93.2 | Very high | 92 Ų | 92 | 43.9 Ų | 43.9 | 48% | 0.482 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | -64.4 | 136.6 | 174.9 | -63 | -178.3 | 0 | 0 | 0 | 110.2 | V841 A852 | V841-L848 HydrophobicContact CG2-CD2 4.35Å; L848-A852 HydrophobicContact CB-CB 4.1Å; L848-A852 HydrophobicContact CD2-CB 3.88Å; L848-A852 HydrophobicContact CG-CB 4.43Å |
| 849 | T | 94.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | trans | -100.3 | 174.9 | 178.7 | 76.3 | 0 | 0 | 0 | 0 | 111.2 | Q839 P840 D842 T851 A852 H853 | Q839-T849 WeakPolarHBondContact O-CB 3.45Å; Q839-T849 WeakPolarHBondContact O-CG2 3.28Å; Q839-T849 PolarHBondContact O-OG1 2.54Å; P840-T849 PolarHBondContact O-N 3.48Å; P840-T849 VanDerWaalsContact O-N 3.11Å; D842-T849 HydrophobicContact CB-CG2 4.09Å; T849-T851 PolarHBondContact O-N 2.99Å; T849-T851 VanDerWaalsContact O-N 3.12Å; T849-T851 PolarHBondContact OG1-N 3.1Å; T849-T851 VanDerWaalsContact OG1-N 3.1Å; T849-A852 PolarHBondContact O-N 3.12Å; T849-H853 PolarHBondContact O-CD2 2.74Å; T849-H853 VanDerWaalsContact O-CD2 3.22Å; T849-H853 PolarHBondContact O-N 3.24Å | ||
| 850 | M | 94.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -43.5 | -40.7 | 166 | -68.8 | -170.8 | -72.3 | 0 | 0 | 113.2 | S785 L804 H837 A852 H853 Y854 L908 I909 | S785-M850 WeakPolarHBondContact OG-CG 3.42Å; L804-M850 HydrophobicContact CD2-CG 4.4Å; L804-M850 HydrophobicContact CD2-SD 3.66Å; L804-M850 HydrophobicContact CG-SD 4.33Å; H837-M850 HydrophobicContact CB-CB 4.45Å; H837-M850 HydrophobicContact CB-CE 3.49Å; H837-M850 VanDerWaalsContact CB-CE 3.49Å; H837-M850 WeakPolarHBondContact ND1-CE 3.37Å; M850-A852 PolarHBondContact O-N 3.11Å; M850-H853 PolarHBondContact O-N 3.2Å; M850-Y854 HydrophobicContact CB-CD2 4.39Å; M850-Y854 WeakPolarHBondContact O-CB 3.48Å; M850-Y854 WeakPolarHBondContact O-CD2 3.25Å; M850-Y854 PolarHBondContact O-N 2.6Å; M850-L908 HydrophobicContact CE-CB 4.45Å; M850-L908 HydrophobicContact CE-CD2 4.28Å; M850-L908 HydrophobicContact SD-CB 4.47Å; M850-L908 HydrophobicContact SD-CD2 4.19Å; M850-I909 HydrophobicContact CB-CG2 3.86Å |
| 851 | T | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -49.5 | 177.3 | -74.6 | 0 | 0 | 0 | 0 | 111.4 | H837 P840 T849 A855 I909 G913 F916 | H837-T851 PolarHBondContact O-OG1 2.97Å; P840-T851 HydrophobicContact CB-CG2 4.45Å; T849-T851 PolarHBondContact O-N 2.99Å; T849-T851 VanDerWaalsContact O-N 3.12Å; T849-T851 PolarHBondContact OG1-N 3.1Å; T849-T851 VanDerWaalsContact OG1-N 3.1Å; T851-A855 WeakPolarHBondContact O-CB 3.31Å; T851-A855 PolarHBondContact O-N 3.18Å; T851-I909 WeakPolarHBondContact OG1-CB 3.22Å; T851-G913 WeakPolarHBondContact OG1-CA 3.39Å; T851-F916 HydrophobicContact CG2-CB 4.03Å; T851-F916 HydrophobicContact CG2-CD1 3.53Å; T851-F916 HydrophobicContact CG2-CE1 4.26Å; T851-F916 HydrophobicContact CG2-CG 3.99Å |
| 852 | A | 95.3 | Very high | 93.1 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.2 | -44.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P840 L848 T849 M850 A855 E856 | P840-A852 HydrophobicContact CB-CB 4.14Å; P840-A852 VanDerWaalsContact O-CB 3.25Å; P840-A852 WeakPolarHBondContact O-CB 3.1Å; L848-A852 HydrophobicContact CB-CB 4.1Å; L848-A852 HydrophobicContact CD2-CB 3.88Å; L848-A852 HydrophobicContact CG-CB 4.43Å; T849-A852 PolarHBondContact O-N 3.12Å; M850-A852 PolarHBondContact O-N 3.11Å; A852-A855 PolarHBondContact O-N 3.17Å; A852-E856 PolarHBondContact O-N 3.09Å |
| 853 | H | 94 | Very high | 93.4 | Very high | 33 Ų | 33 | 41.2 Ų | 41.2 | 15% | 0.153 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.3 | -48.4 | -178.6 | -74.9 | -60.9 | 0 | 0 | 0 | 112.6 | F787 T849 M850 E856 W857 | F787-H853 HydrophobicContact CD2-CB 4.37Å; F787-H853 HydrophobicContact CE2-CB 3.7Å; F787-H853 HydrophobicContact CZ-CB 4.26Å; T849-H853 PolarHBondContact O-CD2 2.74Å; T849-H853 VanDerWaalsContact O-CD2 3.22Å; T849-H853 PolarHBondContact O-N 3.24Å; M850-H853 PolarHBondContact O-N 3.2Å; H853-E856 PolarHBondContact O-N 3.22Å; H853-W857 WeakPolarHBondContact O-CB 3.27Å; H853-W857 PolarHBondContact O-N 2.83Å |
| 854 | Y | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.6 | -36.3 | 176.1 | -82.2 | -76.6 | 0 | 0 | 0 | 111.9 | F787 A798 S799 P801 L804 M850 E856 W857 Y858 L905 | F787-Y854 HydrophobicContact CZ-CD2 4.46Å; F787-Y854 HydrophobicContact CZ-CE1 4.38Å; F787-Y854 HydrophobicContact CZ-CE2 4.16Å; A798-Y854 HydrophobicContact CB-CE1 4.45Å; S799-Y854 PolarHBondContact O-OH 2.97Å; S799-Y854 PolarHBondContact OG-OH 3.46Å; P801-Y854 HydrophobicContact CG-CE1 4.03Å; L804-Y854 HydrophobicContact CD2-CE2 3.63Å; L804-Y854 WeakPolarHBondContact CD2-OH 3.38Å; M850-Y854 HydrophobicContact CB-CD2 4.39Å; M850-Y854 WeakPolarHBondContact O-CB 3.48Å; M850-Y854 WeakPolarHBondContact O-CD2 3.25Å; M850-Y854 PolarHBondContact O-N 2.6Å; Y854-E856 VanDerWaalsContact C-N 3.33Å; Y854-E856 PolarHBondContact O-N 2.74Å; Y854-W857 PolarHBondContact O-N 2.9Å; Y854-Y858 HydrophobicContact CD1-CD2 4.21Å; Y854-Y858 AromaticContact CD1-CE2 3.68Å; Y854-Y858 HydrophobicContact CD1-CE2 3.68Å; Y854-Y858 HydrophobicContact CG-CE2 4.41Å; Y854-Y858 VanDerWaalsContact O-CD2 3.25Å; Y854-Y858 WeakPolarHBondContact O-CD2 3.25Å; Y854-Y858 PolarHBondContact O-N 3Å; Y854-L905 HydrophobicContact CD1-CD1 3.86Å; Y854-L905 HydrophobicContact CD2-CD1 3.74Å; Y854-L905 HydrophobicContact CE1-CD1 4.35Å; Y854-L905 HydrophobicContact CE2-CD1 4.26Å; Y854-L905 HydrophobicContact CG-CD1 3.51Å |
| 855 | A | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.2 | -48 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T851 A852 L859 F916 I917 | T851-A855 WeakPolarHBondContact O-CB 3.31Å; T851-A855 PolarHBondContact O-N 3.18Å; A852-A855 PolarHBondContact O-N 3.17Å; A855-L859 WeakPolarHBondContact O-CB 3.26Å; A855-L859 WeakPolarHBondContact O-CD1 2.97Å; A855-L859 WeakPolarHBondContact O-CG 3.18Å; A855-L859 PolarHBondContact O-N 3.17Å; A855-F916 HydrophobicContact CB-CD1 3.87Å; A855-F916 HydrophobicContact CB-CE1 3.73Å; A855-I917 HydrophobicContact CB-CG1 3.72Å |
| 856 | E | 94.6 | Very high | 94.6 | Very high | 105 Ų | 105 | 34.2 Ų | 34.2 | 49% | 0.491 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.8 | -46.4 | 175.3 | -175.2 | 174.1 | -174.8 | 0 | 0 | 111.5 | A852 H853 Y854 Y858 L859 E860 | A852-E856 PolarHBondContact O-N 3.09Å; H853-E856 PolarHBondContact O-N 3.22Å; Y854-E856 VanDerWaalsContact C-N 3.33Å; Y854-E856 PolarHBondContact O-N 2.74Å; E856-Y858 PolarHBondContact O-N 2.57Å; E856-L859 PolarHBondContact O-N 3.49Å; E856-E860 HydrophobicContact CG-CG 4.43Å; E856-E860 WeakPolarHBondContact O-CB 3.38Å; E856-E860 PolarHBondContact O-N 3.38Å |
| 857 | W | 94.3 | Very high | 95 | Very high | 15 Ų | 15 | 33 Ų | 33 | 6% | 0.057 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | -176.5 | -172.3 | 86.4 | 0 | 0 | 0 | 113 | F787 L797 A798 H853 Y854 L859 N861 V862 F891 Y896 | F787-W857 HydrophobicContact CE2-CB 4.46Å; L797-W857 HydrophobicContact CD1-CZ2 3.86Å; A798-W857 HydrophobicContact CB-CD2 3.74Å; A798-W857 HydrophobicContact CB-CE3 4.49Å; A798-W857 HydrophobicContact CB-CG 3.73Å; A798-W857 HydrophobicContact CB-CZ2 4.41Å; H853-W857 WeakPolarHBondContact O-CB 3.27Å; H853-W857 PolarHBondContact O-N 2.83Å; Y854-W857 PolarHBondContact O-N 2.9Å; W857-L859 PolarHBondContact O-N 3.24Å; W857-N861 VanDerWaalsContact CD1-ND2 3.27Å; W857-N861 HydrophobicContact CD2-CB 4.43Å; W857-N861 HydrophobicContact CZ2-CB 4.36Å; W857-N861 WeakPolarHBondContact O-CA 3.44Å; W857-N861 VanDerWaalsContact O-CB 3.24Å; W857-N861 WeakPolarHBondContact O-CB 3.13Å; W857-N861 PolarHBondContact O-N 3.31Å; W857-N861 PolarHBondContact O-ND2 2.97Å; W857-N861 VanDerWaalsContact O-ND2 3.16Å; W857-V862 HydrophobicContact CE3-CG2 4.08Å; W857-V862 HydrophobicContact CH2-CG2 3.64Å; W857-V862 HydrophobicContact CZ3-CG2 3.34Å; W857-F891 HydrophobicContact CH2-CD2 4.26Å; W857-F891 AromaticContact CH2-CE2 3.74Å; W857-F891 HydrophobicContact CH2-CE2 3.74Å; W857-F891 HydrophobicContact CH2-CZ 4.26Å; W857-F891 HydrophobicContact CZ2-CD2 4.17Å; W857-F891 AromaticContact CZ2-CE2 3.79Å; W857-F891 HydrophobicContact CZ2-CE2 3.79Å; W857-F891 AromaticContact CZ2-CZ 3.99Å; W857-F891 HydrophobicContact CZ2-CZ 3.99Å; W857-Y896 VanDerWaalsContact CH2-CB 3.5Å; W857-Y896 AromaticContact CH2-CD1 3.25Å; W857-Y896 HydrophobicContact CH2-CD1 3.25Å; W857-Y896 AromaticContact CH2-CD2 3.76Å; W857-Y896 HydrophobicContact CH2-CD2 3.76Å; W857-Y896 AromaticContact CH2-CE1 3.85Å; W857-Y896 HydrophobicContact CH2-CE1 3.85Å; W857-Y896 HydrophobicContact CH2-CE2 4.31Å; W857-Y896 AromaticContact CH2-CG 3.2Å; W857-Y896 HydrophobicContact CH2-CG 3.2Å; W857-Y896 AromaticContact CZ2-CD1 3.88Å; W857-Y896 HydrophobicContact CZ2-CD1 3.88Å; W857-Y896 HydrophobicContact CZ2-CD2 4.36Å; W857-Y896 HydrophobicContact CZ2-CE1 4.01Å; W857-Y896 HydrophobicContact CZ2-CE2 4.49Å; W857-Y896 HydrophobicContact CZ2-CG 4.08Å; W857-Y896 AromaticContact CZ3-CD1 3.62Å; W857-Y896 HydrophobicContact CZ3-CD1 3.62Å; W857-Y896 HydrophobicContact CZ3-CE1 4.47Å; W857-Y896 AromaticContact CZ3-CG 3.76Å; W857-Y896 HydrophobicContact CZ3-CG 3.76Å |
| 858 | Y | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -65.2 | -39.3 | 177.2 | -82.8 | -80.2 | 0 | 0 | 0 | 112.1 | P801 Y854 E856 V862 I863 Y896 A897 L902 L905 F982 | P801-Y858 VanDerWaalsContact CG-OH 3.31Å; P801-Y858 WeakPolarHBondContact CG-OH 3.38Å; Y854-Y858 HydrophobicContact CD1-CD2 4.21Å; Y854-Y858 AromaticContact CD1-CE2 3.68Å; Y854-Y858 HydrophobicContact CD1-CE2 3.68Å; Y854-Y858 HydrophobicContact CG-CE2 4.41Å; Y854-Y858 VanDerWaalsContact O-CD2 3.25Å; Y854-Y858 WeakPolarHBondContact O-CD2 3.25Å; Y854-Y858 PolarHBondContact O-N 3Å; E856-Y858 PolarHBondContact O-N 2.57Å; Y858-V862 HydrophobicContact CD1-CB 4.01Å; Y858-V862 HydrophobicContact CD1-CG1 4.4Å; Y858-V862 HydrophobicContact CD1-CG2 3.7Å; Y858-V862 HydrophobicContact CE1-CG2 4.19Å; Y858-V862 HydrophobicContact CG-CG2 4.49Å; Y858-V862 WeakPolarHBondContact O-CA 3.47Å; Y858-V862 WeakPolarHBondContact O-CB 3.26Å; Y858-V862 PolarHBondContact O-N 3.49Å; Y858-V862 VanDerWaalsContact O-N 3.11Å; Y858-I863 WeakPolarHBondContact O-CG1 3.47Å; Y858-I863 PolarHBondContact O-N 2.84Å; Y858-Y896 WeakPolarHBondContact CE1-O 3.45Å; Y858-Y896 PolarHBondContact OH-O 2.82Å; Y858-A897 HydrophobicContact CE1-CB 4.2Å; Y858-L902 HydrophobicContact CE1-CD2 3.99Å; Y858-L905 HydrophobicContact CD2-CD2 4.11Å; Y858-L905 HydrophobicContact CE2-CD1 4.49Å; Y858-L905 HydrophobicContact CE2-CD2 3.43Å; Y858-L905 VanDerWaalsContact CE2-CD2 3.43Å; Y858-F982 AromaticContact CD1-CE2 3.8Å; Y858-F982 HydrophobicContact CD1-CE2 3.8Å; Y858-F982 AromaticContact CD1-CZ 3.48Å; Y858-F982 HydrophobicContact CD1-CZ 3.48Å; Y858-F982 VanDerWaalsContact CD1-CZ 3.48Å; Y858-F982 HydrophobicContact CE1-CE2 4.13Å; Y858-F982 HydrophobicContact CE1-CZ 4.05Å; Y858-F982 AromaticContact CG-CZ 3.92Å; Y858-F982 HydrophobicContact CG-CZ 3.92Å |
| 859 | L | 95.3 | Very high | 95.3 | Very high | 26 Ų | 26 | 31.7 Ų | 31.7 | 14% | 0.136 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -68.2 | -47.7 | 179.3 | -69.1 | 171.3 | 0 | 0 | 0 | 111.6 | A855 E856 W857 K864 R920 L921 | A855-L859 WeakPolarHBondContact O-CB 3.26Å; A855-L859 WeakPolarHBondContact O-CD1 2.97Å; A855-L859 WeakPolarHBondContact O-CG 3.18Å; A855-L859 PolarHBondContact O-N 3.17Å; E856-L859 PolarHBondContact O-N 3.49Å; W857-L859 PolarHBondContact O-N 3.24Å; L859-K864 PolarHBondContact O-N 3.44Å; L859-R920 HydrophobicContact CD1-CB 3.81Å; L859-L921 HydrophobicContact CD2-CB 4.33Å; L859-L921 HydrophobicContact CD2-CD1 3.94Å |
| 860 | E | 92.6 | Very high | 95.4 | Very high | 91 Ų | 91 | 33.3 Ų | 33.3 | 43% | 0.425 | 16% | 0.161 | S | C | . | . | I | π-helix | trans | -83.6 | -26.2 | -174.1 | -71 | -59.1 | 141.2 | 0 | 0 | 114.3 | E856 K864 | E856-E860 HydrophobicContact CG-CG 4.43Å; E856-E860 WeakPolarHBondContact O-CB 3.38Å; E856-E860 PolarHBondContact O-N 3.38Å; E860-K864 VanDerWaalsContact O-CB 3.24Å; E860-K864 WeakPolarHBondContact O-CB 3.42Å; E860-K864 WeakPolarHBondContact O-CD 3.39Å; E860-K864 IonicContact OE2-NZ 3.79Å; E860-K864 PolarHBondContact OE2-NZ 3.05Å |
| 861 | N | 92.8 | Very high | 95.5 | Very high | 56 Ų | 56 | 33.2 Ų | 33.2 | 30% | 0.299 | 16% | 0.16 | S | C | . | . | I | π-helix | trans | -110.9 | -40.7 | -176 | -58.7 | -81.5 | 0 | 0 | 0 | 112.9 | W857 H865 F891 | W857-N861 VanDerWaalsContact CD1-ND2 3.27Å; W857-N861 HydrophobicContact CD2-CB 4.43Å; W857-N861 HydrophobicContact CZ2-CB 4.36Å; W857-N861 WeakPolarHBondContact O-CA 3.44Å; W857-N861 VanDerWaalsContact O-CB 3.24Å; W857-N861 WeakPolarHBondContact O-CB 3.13Å; W857-N861 PolarHBondContact O-N 3.31Å; W857-N861 PolarHBondContact O-ND2 2.97Å; W857-N861 VanDerWaalsContact O-ND2 3.16Å; N861-H865 WeakPolarHBondContact O-CB 3.36Å; N861-H865 PolarHBondContact O-CD2 3.25Å; N861-F891 HydrophobicContact CB-CE1 4.12Å; N861-F891 HydrophobicContact CB-CZ 3.82Å |
| 862 | V | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -86.1 | -58.6 | -178.4 | -178.5 | 0 | 0 | 0 | 0 | 111 | W857 Y858 H865 A866 F871 F891 A897 | W857-V862 HydrophobicContact CE3-CG2 4.08Å; W857-V862 HydrophobicContact CH2-CG2 3.64Å; W857-V862 HydrophobicContact CZ3-CG2 3.34Å; Y858-V862 HydrophobicContact CD1-CB 4.01Å; Y858-V862 HydrophobicContact CD1-CG1 4.4Å; Y858-V862 HydrophobicContact CD1-CG2 3.7Å; Y858-V862 HydrophobicContact CE1-CG2 4.19Å; Y858-V862 HydrophobicContact CG-CG2 4.49Å; Y858-V862 WeakPolarHBondContact O-CA 3.47Å; Y858-V862 WeakPolarHBondContact O-CB 3.26Å; Y858-V862 PolarHBondContact O-N 3.49Å; Y858-V862 VanDerWaalsContact O-N 3.11Å; V862-H865 PolarHBondContact O-N 3.21Å; V862-A866 WeakPolarHBondContact O-CB 3.45Å; V862-A866 PolarHBondContact O-N 3.27Å; V862-F871 WeakPolarHBondContact O-CD2 3.48Å; V862-F891 HydrophobicContact CG2-CE2 4.46Å; V862-A897 HydrophobicContact CG1-CB 3.86Å |
| 863 | I | 97.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -66 | -45.1 | -174.8 | -64.6 | -58.5 | 0 | 0 | 0 | 111.5 | Y858 H865 A866 Y867 L921 F982 | Y858-I863 WeakPolarHBondContact O-CG1 3.47Å; Y858-I863 PolarHBondContact O-N 2.84Å; I863-H865 VanDerWaalsContact C-N 3.34Å; I863-H865 PolarHBondContact O-N 2.95Å; I863-A866 WeakPolarHBondContact O-CB 3.45Å; I863-A866 PolarHBondContact O-N 2.79Å; I863-A866 VanDerWaalsContact O-N 3.16Å; I863-Y867 HydrophobicContact CG2-CD1 4.35Å; I863-Y867 HydrophobicContact CG2-CD2 4.26Å; I863-Y867 HydrophobicContact CG2-CE1 3.7Å; I863-Y867 HydrophobicContact CG2-CE2 3.6Å; I863-Y867 WeakPolarHBondContact CG2-OH 3.46Å; I863-Y867 PolarHBondContact O-N 3.29Å; I863-L921 HydrophobicContact CD1-CD1 4.5Å; I863-L921 HydrophobicContact CG1-CD1 4.26Å; I863-L921 HydrophobicContact CG2-CD1 4.18Å; I863-F982 HydrophobicContact CD1-CB 3.65Å; I863-F982 HydrophobicContact CD1-CD1 3.77Å; I863-F982 HydrophobicContact CD1-CD2 4.1Å; I863-F982 HydrophobicContact CD1-CE1 4.43Å; I863-F982 HydrophobicContact CD1-CG 3.58Å; I863-F982 HydrophobicContact CG1-CD1 4.39Å |
| 864 | K | 95.6 | Very high | 95.8 | Very high | 104 Ų | 104 | 31.6 Ų | 31.6 | 45% | 0.452 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -57.9 | -43.5 | 177.2 | -167.4 | -178.9 | -165.7 | 163.9 | 0 | 112.8 | L859 E860 Y867 L868 | L859-K864 PolarHBondContact O-N 3.44Å; E860-K864 VanDerWaalsContact O-CB 3.24Å; E860-K864 WeakPolarHBondContact O-CB 3.42Å; E860-K864 WeakPolarHBondContact O-CD 3.39Å; E860-K864 IonicContact OE2-NZ 3.79Å; E860-K864 PolarHBondContact OE2-NZ 3.05Å; K864-Y867 WeakPolarHBondContact O-CB 3.28Å; K864-Y867 PolarHBondContact O-N 3.19Å; K864-L868 WeakPolarHBondContact O-CG 3.37Å; K864-L868 PolarHBondContact O-N 2.7Å |
| 865 | H | 95.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 33.4 Ų | 33.4 | 19% | 0.185 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.4 | -29.5 | 177.1 | -81.7 | -49 | 0 | 0 | 0 | 113 | N861 V862 I863 Y867 L868 D869 H870 F871 | N861-H865 WeakPolarHBondContact O-CB 3.36Å; N861-H865 PolarHBondContact O-CD2 3.25Å; V862-H865 PolarHBondContact O-N 3.21Å; I863-H865 VanDerWaalsContact C-N 3.34Å; I863-H865 PolarHBondContact O-N 2.95Å; H865-Y867 VanDerWaalsContact C-N 3.32Å; H865-L868 CarbonylContact O-C 3.13Å; H865-L868 PolarHBondContact O-N 2.91Å; H865-D869 PolarHBondContact O-N 3.49Å; H865-H870 HydrophobicContact CB-CB 4.14Å; H865-H870 AromaticContact CE1-ND1 3.63Å; H865-H870 AromaticContact CG-ND1 3.81Å; H865-H870 AromaticContact ND1-CE1 3.61Å; H865-H870 AromaticContact ND1-CG 3.98Å; H865-H870 AromaticContact ND1-ND1 2.95Å; H865-H870 PolarHBondContact ND1-ND1 2.92Å; H865-H870 WeakPolarHBondContact O-CB 3.24Å; H865-H870 PolarHBondContact O-N 3.03Å; H865-F871 HydrophobicContact CB-CD2 3.59Å; H865-F871 HydrophobicContact CB-CE2 3.43Å; H865-F871 VanDerWaalsContact CB-CE2 3.43Å; H865-F871 HydrophobicContact CB-CG 4.26Å; H865-F871 HydrophobicContact CB-CZ 3.97Å |
| 866 | A | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.6 | -34.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V862 I863 L868 D869 F871 F880 V978 N1140 | V862-A866 WeakPolarHBondContact O-CB 3.45Å; V862-A866 PolarHBondContact O-N 3.27Å; I863-A866 WeakPolarHBondContact O-CB 3.45Å; I863-A866 PolarHBondContact O-N 2.79Å; I863-A866 VanDerWaalsContact O-N 3.16Å; A866-L868 VanDerWaalsContact C-N 3.27Å; A866-L868 PolarHBondContact O-N 3.35Å; A866-D869 PolarHBondContact O-N 3.38Å; A866-F871 HydrophobicContact CB-CB 4.21Å; A866-F880 HydrophobicContact CB-CD1 3.97Å; A866-F880 HydrophobicContact CB-CE1 3.74Å; A866-V978 HydrophobicContact CB-CG1 3.65Å; A866-N1140 PolarHBondContact O-ND2 3.13Å |
| 867 | Y | 96.7 | Very high | 95.9 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 11% | 0.11 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.3 | -30.8 | 172.5 | -63.7 | -17.4 | 0 | 0 | 0 | 113.1 | I863 K864 H865 D869 K974 E975 V978 | I863-Y867 HydrophobicContact CG2-CD1 4.35Å; I863-Y867 HydrophobicContact CG2-CD2 4.26Å; I863-Y867 HydrophobicContact CG2-CE1 3.7Å; I863-Y867 HydrophobicContact CG2-CE2 3.6Å; I863-Y867 WeakPolarHBondContact CG2-OH 3.46Å; I863-Y867 PolarHBondContact O-N 3.29Å; K864-Y867 WeakPolarHBondContact O-CB 3.28Å; K864-Y867 PolarHBondContact O-N 3.19Å; H865-Y867 VanDerWaalsContact C-N 3.32Å; Y867-D869 VanDerWaalsContact C-N 3.26Å; Y867-D869 PolarHBondContact O-N 2.77Å; Y867-K974 PolarHBondContact O-NZ 3.47Å; Y867-E975 HydrophobicContact CD1-CB 3.84Å; Y867-E975 HydrophobicContact CD1-CG 3.72Å; Y867-E975 HydrophobicContact CD2-CG 4.25Å; Y867-E975 HydrophobicContact CE1-CB 3.72Å; Y867-E975 HydrophobicContact CE1-CG 4.14Å; Y867-E975 WeakPolarHBondContact CE1-O 3.34Å; Y867-E975 HydrophobicContact CE2-CB 4.46Å; Y867-E975 HydrophobicContact CG-CB 4.26Å; Y867-E975 HydrophobicContact CG-CG 3.77Å; Y867-E975 PolarHBondContact OH-O 3.44Å; Y867-V978 HydrophobicContact CD1-CB 4.15Å; Y867-V978 HydrophobicContact CD1-CG1 3.9Å; Y867-V978 HydrophobicContact CE1-CB 3.95Å; Y867-V978 HydrophobicContact CE1-CG1 3.78Å |
| 868 | L | 94.9 | Very high | 96 | Very high | 100 Ų | 100 | 40.4 Ų | 40.4 | 52% | 0.524 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 8.6 | 176.1 | -63 | 173.9 | 0 | 0 | 0 | 113.6 | K864 H865 A866 H870 | K864-L868 WeakPolarHBondContact O-CG 3.37Å; K864-L868 PolarHBondContact O-N 2.7Å; H865-L868 CarbonylContact O-C 3.13Å; H865-L868 PolarHBondContact O-N 2.91Å; A866-L868 VanDerWaalsContact C-N 3.27Å; A866-L868 PolarHBondContact O-N 3.35Å; L868-H870 PolarHBondContact O-CD2 3.42Å; L868-H870 PolarHBondContact O-N 3.49Å; L868-H870 VanDerWaalsContact O-N 3.16Å |
| 869 | D | 93.6 | Very high | 96 | Very high | 48 Ų | 48 | 40.7 Ų | 40.7 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 17.4 | -179.1 | -53.9 | -38.8 | 0 | 0 | 0 | 114.2 | H865 A866 Y867 K974 | H865-D869 PolarHBondContact O-N 3.49Å; A866-D869 PolarHBondContact O-N 3.38Å; Y867-D869 VanDerWaalsContact C-N 3.26Å; Y867-D869 PolarHBondContact O-N 2.77Å; D869-K974 IonicContact OD1-NZ 3.81Å; D869-K974 PolarHBondContact OD1-NZ 3.42Å; D869-K974 IonicContact OD2-NZ 2.86Å; D869-K974 PolarHBondContact OD2-NZ 2.79Å |
| 870 | H | 95.4 | Very high | 96.2 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 18% | 0.176 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -74.9 | -32.7 | 174.1 | -61.1 | 176.6 | 0 | 0 | 0 | 111.5 | H865 L868 L883 V884 V889 | H865-H870 HydrophobicContact CB-CB 4.14Å; H865-H870 AromaticContact CE1-ND1 3.63Å; H865-H870 AromaticContact CG-ND1 3.81Å; H865-H870 AromaticContact ND1-CE1 3.61Å; H865-H870 AromaticContact ND1-CG 3.98Å; H865-H870 AromaticContact ND1-ND1 2.95Å; H865-H870 PolarHBondContact ND1-ND1 2.92Å; H865-H870 WeakPolarHBondContact O-CB 3.24Å; H865-H870 PolarHBondContact O-N 3.03Å; L868-H870 PolarHBondContact O-CD2 3.42Å; L868-H870 PolarHBondContact O-N 3.49Å; L868-H870 VanDerWaalsContact O-N 3.16Å; H870-L883 PolarHBondContact O-N 2.98Å; H870-V884 HydrophobicContact CB-CG1 4.15Å; H870-V884 HydrophobicContact CB-CG2 3.91Å; H870-V889 HydrophobicContact CB-CG2 4.08Å; H870-V889 WeakPolarHBondContact ND1-CG2 3.27Å |
| 871 | F | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.9 | 180 | -53.9 | -29.3 | 0 | 0 | 0 | 110.4 | V862 H865 A866 F880 V881 T882 V889 F891 A893 N1140 | V862-F871 WeakPolarHBondContact O-CD2 3.48Å; H865-F871 HydrophobicContact CB-CD2 3.59Å; H865-F871 HydrophobicContact CB-CE2 3.43Å; H865-F871 VanDerWaalsContact CB-CE2 3.43Å; H865-F871 HydrophobicContact CB-CG 4.26Å; H865-F871 HydrophobicContact CB-CZ 3.97Å; A866-F871 HydrophobicContact CB-CB 4.21Å; F871-F880 HydrophobicContact CB-CD1 4.32Å; F871-V881 CarbonylContact C-O 3.47Å; F871-V881 WeakPolarHBondContact CA-O 3.35Å; F871-T882 HydrophobicContact CD1-CG2 4.06Å; F871-T882 WeakPolarHBondContact CD1-OG1 3.25Å; F871-T882 HydrophobicContact CE1-CG2 3.87Å; F871-T882 WeakPolarHBondContact CE1-OG1 3.09Å; F871-V889 HydrophobicContact CE1-CB 4.21Å; F871-V889 HydrophobicContact CE1-CG1 3.98Å; F871-V889 HydrophobicContact CE1-CG2 4.3Å; F871-V889 HydrophobicContact CZ-CB 4.35Å; F871-V889 HydrophobicContact CZ-CG1 3.65Å; F871-V889 HydrophobicContact CZ-CG2 4.46Å; F871-F891 HydrophobicContact CE2-CE2 4Å; F871-F891 AromaticContact CE2-CZ 3.88Å; F871-F891 HydrophobicContact CE2-CZ 3.88Å; F871-F891 HydrophobicContact CZ-CD2 4.45Å; F871-F891 HydrophobicContact CZ-CE1 4.38Å; F871-F891 AromaticContact CZ-CE2 3.78Å; F871-F891 HydrophobicContact CZ-CE2 3.78Å; F871-F891 AromaticContact CZ-CZ 3.74Å; F871-F891 HydrophobicContact CZ-CZ 3.74Å; F871-A893 HydrophobicContact CB-CB 4.07Å; F871-A893 HydrophobicContact CD1-CB 3.72Å; F871-A893 HydrophobicContact CD2-CB 3.63Å; F871-A893 HydrophobicContact CE1-CB 3.95Å; F871-A893 HydrophobicContact CE2-CB 3.84Å; F871-A893 HydrophobicContact CG-CB 3.55Å; F871-A893 HydrophobicContact CZ-CB 3.97Å; F871-N1140 PolarHBondContact O-ND2 3.2Å |
| 872 | V | 97.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.7 | -179.2 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | S874 F880 V881 L883 A1136 N1137 E1138 N1140 | V872-S874 PolarHBondContact O-N 3.16Å; V872-F880 CarbonylContact O-C 3.44Å; V872-F880 WeakPolarHBondContact O-CA 3.42Å; V872-V881 PolarHBondContact N-O 3.36Å; V872-V881 PolarHBondContact O-N 2.99Å; V872-L883 HydrophobicContact CB-CD1 4.08Å; V872-L883 HydrophobicContact CB-CG 4.38Å; V872-L883 HydrophobicContact CG2-CD1 3.4Å; V872-L883 VanDerWaalsContact CG2-CD1 3.4Å; V872-L883 HydrophobicContact CG2-CG 4Å; V872-A1136 HydrophobicContact CG1-CB 3.58Å; V872-N1137 WeakPolarHBondContact CG1-O 3.49Å; V872-E1138 WeakPolarHBondContact CG2-O 3.34Å; V872-N1140 VanDerWaalsContact CA-OD1 3.24Å; V872-N1140 WeakPolarHBondContact CA-OD1 3.46Å |
| 873 | Y | 98.2 | Very high | 96.3 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 119.3 | 172.4 | 174.2 | -114.1 | 0 | 0 | 0 | 110.4 | P875 F880 A981 L985 A1136 N1140 H1142 Y1146 | Y873-P875 HydrophobicContact CD1-CG 4.19Å; Y873-P875 HydrophobicContact CE1-CB 4.28Å; Y873-P875 HydrophobicContact CE1-CG 3.79Å; Y873-P875 WeakPolarHBondContact O-CD 3.28Å; Y873-F880 HydrophobicContact CD2-CD2 4.19Å; Y873-F880 AromaticContact CD2-CE2 3.82Å; Y873-F880 HydrophobicContact CD2-CE2 3.82Å; Y873-F880 HydrophobicContact CD2-CZ 4.12Å; Y873-F880 HydrophobicContact CG-CE2 4.46Å; Y873-F880 HydrophobicContact CG-CZ 4.3Å; Y873-A981 HydrophobicContact CD1-CB 3.56Å; Y873-A981 HydrophobicContact CD2-CB 4.3Å; Y873-A981 HydrophobicContact CE1-CB 3.69Å; Y873-A981 HydrophobicContact CE2-CB 4.43Å; Y873-A981 HydrophobicContact CG-CB 3.87Å; Y873-L985 HydrophobicContact CD2-CD1 4.17Å; Y873-L985 HydrophobicContact CE2-CD1 3.7Å; Y873-L985 HydrophobicContact CE2-CD2 4.05Å; Y873-L985 HydrophobicContact CE2-CG 3.78Å; Y873-A1136 WeakPolarHBondContact O-CB 3.39Å; Y873-N1140 PolarHBondContact N-OD1 2.88Å; Y873-H1142 PolarHBondContact O-CE1 2.93Å; Y873-H1142 PolarHBondContact O-NE2 2.96Å; Y873-Y1146 HydrophobicContact CE1-CE2 4.18Å |
| 874 | S | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 111.9 | 172.6 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | V872 L876 L877 K878 S879 L1134 | V872-S874 PolarHBondContact O-N 3.16Å; S874-L876 VanDerWaalsContact C-N 3.27Å; S874-L876 PolarHBondContact O-N 3.5Å; S874-L877 PolarHBondContact OG-N 2.96Å; S874-L877 VanDerWaalsContact OG-N 3.15Å; S874-K878 WeakPolarHBondContact O-CA 3.39Å; S874-K878 PolarHBondContact O-N 3.23Å; S874-S879 PolarHBondContact N-O 3.42Å; S874-S879 PolarHBondContact O-N 3.48Å; S874-L1134 WeakPolarHBondContact CA-O 3.07Å; S874-L1134 WeakPolarHBondContact CB-O 3.32Å; S874-L1134 PolarHBondContact OG-O 2.97Å |
| 875 | P | 95.1 | Very high | 95.8 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 25% | 0.247 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -35.6 | 171.9 | -20.2 | 31.9 | 0 | 0 | 0 | 112.4 | Y873 K878 | Y873-P875 HydrophobicContact CD1-CG 4.19Å; Y873-P875 HydrophobicContact CE1-CB 4.28Å; Y873-P875 HydrophobicContact CE1-CG 3.79Å; Y873-P875 WeakPolarHBondContact O-CD 3.28Å; P875-K878 PolarHBondContact O-N 2.85Å |
| 876 | L | 95.5 | Very high | 95.3 | Very high | 89 Ų | 89 | 38.2 Ų | 38.2 | 47% | 0.466 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -48.8 | -180 | 178.9 | 64.8 | 0 | 0 | 0 | 112 | S874 K878 E1135 | S874-L876 VanDerWaalsContact C-N 3.27Å; S874-L876 PolarHBondContact O-N 3.5Å; L876-K878 VanDerWaalsContact C-N 3.34Å; L876-E1135 HydrophobicContact CB-CB 4.05Å; L876-E1135 HydrophobicContact CB-CG 3.89Å; L876-E1135 HydrophobicContact CD2-CG 4.2Å; L876-E1135 HydrophobicContact CG-CG 4.46Å |
| 877 | L | 96.7 | Very high | 94.9 | Very high | 97 Ų | 97 | 45.2 Ų | 45.2 | 51% | 0.508 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -7.5 | -179.2 | -58.9 | -179.3 | 0 | 0 | 0 | 113.1 | S874 S879 V881 L1134 | S874-L877 PolarHBondContact OG-N 2.96Å; S874-L877 VanDerWaalsContact OG-N 3.15Å; L877-S879 VanDerWaalsContact C-N 3.29Å; L877-S879 PolarHBondContact O-N 2.89Å; L877-V881 HydrophobicContact CD1-CG2 4.12Å; L877-L1134 HydrophobicContact CD1-CD2 3.62Å |
| 878 | K | 97.4 | Very high | 94.5 | Very high | 81 Ų | 81 | 48.5 Ų | 48.5 | 35% | 0.352 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 49.6 | -172.3 | -58.9 | -172 | -177.9 | 179.9 | 0 | 112.2 | S874 P875 L876 L899 L985 E988 | S874-K878 WeakPolarHBondContact O-CA 3.39Å; S874-K878 PolarHBondContact O-N 3.23Å; P875-K878 PolarHBondContact O-N 2.85Å; L876-K878 VanDerWaalsContact C-N 3.34Å; K878-L899 HydrophobicContact CB-CB 4.12Å; K878-L899 HydrophobicContact CD-CD2 3.77Å; K878-L899 PolarHBondContact O-N 3.26Å; K878-L985 HydrophobicContact CB-CD2 3.88Å; K878-E988 IonicContact NZ-OE1 2.69Å; K878-E988 PolarHBondContact NZ-OE1 2.81Å; K878-E988 IonicContact NZ-OE2 3.08Å |
| 879 | S | 97.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 157.4 | -173.4 | -174 | 0 | 0 | 0 | 0 | 112.6 | S874 L877 E894 D898 | S874-S879 PolarHBondContact N-O 3.42Å; S874-S879 PolarHBondContact O-N 3.48Å; L877-S879 VanDerWaalsContact C-N 3.29Å; L877-S879 PolarHBondContact O-N 2.89Å; S879-E894 WeakPolarHBondContact OG-CA 3.44Å; S879-E894 WeakPolarHBondContact OG-CB 3.32Å; S879-D898 VanDerWaalsContact OG-CA 3.32Å; S879-D898 WeakPolarHBondContact OG-CA 3.45Å; S879-D898 VanDerWaalsContact OG-CB 3.24Å; S879-D898 WeakPolarHBondContact OG-CB 3.48Å; S879-D898 PolarHBondContact OG-N 3.46Å |
| 880 | F | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 125.1 | 163.1 | -77.5 | -97.8 | 0 | 0 | 0 | 110.2 | A866 F871 V872 Y873 A893 E894 A897 V978 F982 L985 | A866-F880 HydrophobicContact CB-CD1 3.97Å; A866-F880 HydrophobicContact CB-CE1 3.74Å; F871-F880 HydrophobicContact CB-CD1 4.32Å; V872-F880 CarbonylContact O-C 3.44Å; V872-F880 WeakPolarHBondContact O-CA 3.42Å; Y873-F880 HydrophobicContact CD2-CD2 4.19Å; Y873-F880 AromaticContact CD2-CE2 3.82Å; Y873-F880 HydrophobicContact CD2-CE2 3.82Å; Y873-F880 HydrophobicContact CD2-CZ 4.12Å; Y873-F880 HydrophobicContact CG-CE2 4.46Å; Y873-F880 HydrophobicContact CG-CZ 4.3Å; F880-A893 HydrophobicContact CB-CB 3.86Å; F880-A893 CarbonylContact O-C 3.56Å; F880-A893 VanDerWaalsContact O-C 3.27Å; F880-A893 WeakPolarHBondContact O-CB 3.39Å; F880-E894 VanDerWaalsContact O-CA 3.27Å; F880-E894 WeakPolarHBondContact O-CA 3.24Å; F880-E894 PolarHBondContact O-N 3.19Å; F880-A897 HydrophobicContact CB-CB 4.16Å; F880-A897 HydrophobicContact CD2-CB 4.17Å; F880-A897 PolarHBondContact N-O 3.49Å; F880-V978 HydrophobicContact CE1-CG1 3.98Å; F880-V978 HydrophobicContact CZ-CG1 4.25Å; F880-F982 HydrophobicContact CD2-CD2 4.22Å; F880-F982 HydrophobicContact CE2-CB 3.83Å; F880-F982 AromaticContact CE2-CD2 3.7Å; F880-F982 HydrophobicContact CE2-CD2 3.7Å; F880-F982 HydrophobicContact CE2-CG 4.25Å; F880-F982 HydrophobicContact CZ-CB 3.93Å; F880-F982 HydrophobicContact CZ-CD2 4.45Å; F880-L985 HydrophobicContact CD2-CD1 4.23Å; F880-L985 HydrophobicContact CE2-CD1 4.17Å |
| 881 | V | 97.3 | Very high | 93.7 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.7 | -175 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | F871 V872 L877 L883 L1134 | F871-V881 CarbonylContact C-O 3.47Å; F871-V881 WeakPolarHBondContact CA-O 3.35Å; V872-V881 PolarHBondContact N-O 3.36Å; V872-V881 PolarHBondContact O-N 2.99Å; L877-V881 HydrophobicContact CD1-CG2 4.12Å; V881-L883 HydrophobicContact CG1-CD2 4.26Å; V881-L1134 HydrophobicContact CG1-CD1 4.41Å; V881-L1134 HydrophobicContact CG1-CD2 4.44Å; V881-L1134 HydrophobicContact CG2-CD2 4.17Å |
| 882 | T | 96.4 | Very high | 93.6 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 14% | 0.135 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 124.7 | 175.7 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | F871 V884 R892 A893 | F871-T882 HydrophobicContact CD1-CG2 4.06Å; F871-T882 WeakPolarHBondContact CD1-OG1 3.25Å; F871-T882 HydrophobicContact CE1-CG2 3.87Å; F871-T882 WeakPolarHBondContact CE1-OG1 3.09Å; T882-V884 HydrophobicContact CG2-CG2 3.84Å; T882-R892 WeakPolarHBondContact OG1-CA 3.38Å; T882-A893 PolarHBondContact OG1-N 3.46Å |
| 883 | L | 89.6 | Confident | 93.5 | Very high | 44 Ų | 44 | 54.7 Ų | 54.7 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | trans | -106 | -15.4 | 178.1 | -62.5 | -169.4 | 0 | 0 | 0 | 113.7 | H870 V872 V881 L1134 E1138 | H870-L883 PolarHBondContact O-N 2.98Å; V872-L883 HydrophobicContact CB-CD1 4.08Å; V872-L883 HydrophobicContact CB-CG 4.38Å; V872-L883 HydrophobicContact CG2-CD1 3.4Å; V872-L883 VanDerWaalsContact CG2-CD1 3.4Å; V872-L883 HydrophobicContact CG2-CG 4Å; V881-L883 HydrophobicContact CG1-CD2 4.26Å; L883-L1134 HydrophobicContact CD2-CD1 4.14Å; L883-E1138 HydrophobicContact CD1-CB 4.08Å; L883-E1138 HydrophobicContact CD1-CG 3.99Å | ||
| 884 | V | 92.2 | Very high | 93.3 | Very high | 37 Ų | 37 | 56 Ų | 56 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -87.4 | 161.6 | -176.6 | -68 | 0 | 0 | 0 | 0 | 113.3 | H870 T882 I888 V889 | H870-V884 HydrophobicContact CB-CG1 4.15Å; H870-V884 HydrophobicContact CB-CG2 3.91Å; T882-V884 HydrophobicContact CG2-CG2 3.84Å; V884-I888 HydrophobicContact CB-CB 4.18Å; V884-I888 HydrophobicContact CB-CD1 4.07Å; V884-I888 HydrophobicContact CB-CG2 4.47Å; V884-I888 HydrophobicContact CG1-CD1 4.21Å; V884-I888 HydrophobicContact CG2-CB 4.22Å; V884-I888 HydrophobicContact CG2-CG2 4.39Å; V884-V889 HydrophobicContact CG2-CB 4.33Å; V884-V889 HydrophobicContact CG2-CG2 4.06Å |
| 885 | S | 90.4 | Very high | 93.1 | Very high | 53 Ų | 53 | 58.6 Ų | 58.6 | 37% | 0.371 | 30% | 0.303 | S | S | . | . | trans | -62.5 | 146.9 | 171.7 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | D887 I888 V889 | S885-D887 PolarHBondContact O-N 3.05Å; S885-D887 PolarHBondContact OG-N 3.48Å; S885-D887 PolarHBondContact OG-OD2 2.74Å; S885-I888 PolarHBondContact O-N 2.88Å; S885-V889 PolarHBondContact O-N 2.85Å | ||
| 886 | P | 86.4 | Confident | 93.1 | Very high | 95 Ų | 95 | 57.4 Ų | 57.4 | 62% | 0.617 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -16.9 | 170.7 | 20.8 | -33.2 | 0 | 0 | 0 | 114.7 | I888 V889 | P886-I888 PolarHBondContact O-N 2.79Å; P886-V889 WeakPolarHBondContact CA-O 3.48Å; P886-V889 CarbonylContact O-C 3.22Å |
| 887 | D | 88.3 | Confident | 93.1 | Very high | 147 Ų | 147 | 53.1 Ų | 53.1 | 79% | 0.786 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -25.2 | 172.9 | -52.9 | -52.6 | 0 | 0 | 0 | 113.1 | S885 | S885-D887 PolarHBondContact O-N 3.05Å; S885-D887 PolarHBondContact OG-N 3.48Å; S885-D887 PolarHBondContact OG-OD2 2.74Å |
| 888 | I | 89.3 | Confident | 93.1 | Very high | 97 Ų | 97 | 49.8 Ų | 49.8 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -48.7 | -178.4 | -57 | -178.3 | 0 | 0 | 0 | 110.3 | V884 S885 P886 | V884-I888 HydrophobicContact CB-CB 4.18Å; V884-I888 HydrophobicContact CB-CD1 4.07Å; V884-I888 HydrophobicContact CB-CG2 4.47Å; V884-I888 HydrophobicContact CG1-CD1 4.21Å; V884-I888 HydrophobicContact CG2-CB 4.22Å; V884-I888 HydrophobicContact CG2-CG2 4.39Å; S885-I888 PolarHBondContact O-N 2.88Å; P886-I888 PolarHBondContact O-N 2.79Å |
| 889 | V | 88.1 | Confident | 93.1 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | trans | -131.3 | 120.2 | 174.6 | -171.1 | 0 | 0 | 0 | 0 | 108.6 | H870 F871 V884 S885 P886 F891 | H870-V889 HydrophobicContact CB-CG2 4.08Å; H870-V889 WeakPolarHBondContact ND1-CG2 3.27Å; F871-V889 HydrophobicContact CE1-CB 4.21Å; F871-V889 HydrophobicContact CE1-CG1 3.98Å; F871-V889 HydrophobicContact CE1-CG2 4.3Å; F871-V889 HydrophobicContact CZ-CB 4.35Å; F871-V889 HydrophobicContact CZ-CG1 3.65Å; F871-V889 HydrophobicContact CZ-CG2 4.46Å; V884-V889 HydrophobicContact CG2-CB 4.33Å; V884-V889 HydrophobicContact CG2-CG2 4.06Å; S885-V889 PolarHBondContact O-N 2.85Å; P886-V889 WeakPolarHBondContact CA-O 3.48Å; P886-V889 CarbonylContact O-C 3.22Å; V889-F891 HydrophobicContact CG1-CD1 3.63Å; V889-F891 HydrophobicContact CG1-CE1 3.59Å; V889-F891 HydrophobicContact CG1-CG 4.3Å; V889-F891 HydrophobicContact CG1-CZ 4.23Å; V889-F891 PolarHBondContact O-N 3.2Å | ||
| 890 | K | 86.7 | Confident | 93.1 | Very high | 155 Ų | 155 | 52.4 Ų | 52.4 | 67% | 0.674 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -74.2 | -6.6 | -172.4 | -64.4 | 178.2 | -174 | 157.7 | 0 | 114.2 | E795 | E795-K890 WeakPolarHBondContact OE2-CD 3.49Å; E795-K890 WeakPolarHBondContact OE2-CE 3.46Å; E795-K890 IonicContact OE2-NZ 3.94Å; E795-K890 PolarHBondContact OE2-NZ 3.3Å |
| 891 | F | 91.9 | Very high | 93.1 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -128.9 | 159.6 | 178.7 | 75.7 | -86.2 | 0 | 0 | 0 | 111.5 | L797 W857 N861 V862 F871 V889 Y896 | L797-F891 HydrophobicContact CD1-CB 3.74Å; L797-F891 HydrophobicContact CD1-CD1 3.58Å; L797-F891 HydrophobicContact CD1-CD2 4.3Å; L797-F891 HydrophobicContact CD1-CE1 4.25Å; L797-F891 HydrophobicContact CD1-CG 3.62Å; L797-F891 HydrophobicContact CD2-CB 3.54Å; L797-F891 HydrophobicContact CD2-CG 4.31Å; L797-F891 HydrophobicContact CG-CB 4.31Å; W857-F891 HydrophobicContact CH2-CD2 4.26Å; W857-F891 AromaticContact CH2-CE2 3.74Å; W857-F891 HydrophobicContact CH2-CE2 3.74Å; W857-F891 HydrophobicContact CH2-CZ 4.26Å; W857-F891 HydrophobicContact CZ2-CD2 4.17Å; W857-F891 AromaticContact CZ2-CE2 3.79Å; W857-F891 HydrophobicContact CZ2-CE2 3.79Å; W857-F891 AromaticContact CZ2-CZ 3.99Å; W857-F891 HydrophobicContact CZ2-CZ 3.99Å; N861-F891 HydrophobicContact CB-CE1 4.12Å; N861-F891 HydrophobicContact CB-CZ 3.82Å; V862-F891 HydrophobicContact CG2-CE2 4.46Å; F871-F891 HydrophobicContact CE2-CE2 4Å; F871-F891 AromaticContact CE2-CZ 3.88Å; F871-F891 HydrophobicContact CE2-CZ 3.88Å; F871-F891 HydrophobicContact CZ-CD2 4.45Å; F871-F891 HydrophobicContact CZ-CE1 4.38Å; F871-F891 AromaticContact CZ-CE2 3.78Å; F871-F891 HydrophobicContact CZ-CE2 3.78Å; F871-F891 AromaticContact CZ-CZ 3.74Å; F871-F891 HydrophobicContact CZ-CZ 3.74Å; V889-F891 HydrophobicContact CG1-CD1 3.63Å; V889-F891 HydrophobicContact CG1-CE1 3.59Å; V889-F891 HydrophobicContact CG1-CG 4.3Å; V889-F891 HydrophobicContact CG1-CZ 4.23Å; V889-F891 PolarHBondContact O-N 3.2Å; F891-Y896 HydrophobicContact CB-CE2 4.38Å; F891-Y896 AromaticContact CD2-CD2 3.91Å; F891-Y896 HydrophobicContact CD2-CD2 3.91Å; F891-Y896 AromaticContact CD2-CE2 3.99Å; F891-Y896 HydrophobicContact CD2-CE2 3.99Å; F891-Y896 HydrophobicContact CE2-CD2 4.46Å |
| 892 | R | 94.2 | Very high | 93.1 | Very high | 137 Ų | 137 | 52.5 Ų | 52.5 | 52% | 0.517 | 27% | 0.27 | S | S | . | . | trans | -96.4 | 131.6 | -179.3 | -73.7 | -176.6 | 71.1 | 93.7 | 13 | 109.5 | T882 E894 D895 Y896 | T882-R892 WeakPolarHBondContact OG1-CA 3.38Å; R892-E894 VanDerWaalsContact C-N 3.34Å; R892-E894 VanDerWaalsContact CB-OE1 3.28Å; R892-E894 WeakPolarHBondContact CB-OE1 3.44Å; R892-E894 WeakPolarHBondContact CB-OE2 3.47Å; R892-E894 IonicContact CZ-OE1 2.78Å; R892-E894 IonicContact CZ-OE2 3.24Å; R892-E894 IonicContact NE-OE1 2.75Å; R892-E894 PolarHBondContact NE-OE1 2.78Å; R892-E894 IonicContact NE-OE2 3.15Å; R892-E894 PolarHBondContact NE-OE2 3.05Å; R892-E894 IonicContact NH2-OE1 3.43Å; R892-E894 PolarHBondContact NH2-OE1 2.58Å; R892-E894 IonicContact NH2-OE2 2.99Å; R892-E894 PolarHBondContact NH2-OE2 3.11Å; R892-D895 HydrophobicContact CB-CB 4.23Å; R892-D895 WeakPolarHBondContact O-CB 3.38Å; R892-D895 PolarHBondContact O-N 2.93Å; R892-Y896 WeakPolarHBondContact O-CD2 3.48Å | ||
| 893 | A | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -70.4 | -33 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | F871 F880 T882 D895 Y896 A897 | F871-A893 HydrophobicContact CB-CB 4.07Å; F871-A893 HydrophobicContact CD1-CB 3.72Å; F871-A893 HydrophobicContact CD2-CB 3.63Å; F871-A893 HydrophobicContact CE1-CB 3.95Å; F871-A893 HydrophobicContact CE2-CB 3.84Å; F871-A893 HydrophobicContact CG-CB 3.55Å; F871-A893 HydrophobicContact CZ-CB 3.97Å; F880-A893 HydrophobicContact CB-CB 3.86Å; F880-A893 CarbonylContact O-C 3.56Å; F880-A893 VanDerWaalsContact O-C 3.27Å; F880-A893 WeakPolarHBondContact O-CB 3.39Å; T882-A893 PolarHBondContact OG1-N 3.46Å; A893-D895 PolarHBondContact O-N 2.92Å; A893-Y896 PolarHBondContact O-N 2.95Å; A893-A897 WeakPolarHBondContact O-CB 3.24Å; A893-A897 PolarHBondContact O-N 3.05Å |
| 894 | E | 94.3 | Very high | 93.7 | Very high | 35 Ų | 35 | 51 Ų | 51 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.2 | -25.8 | -179.1 | 5.2 | 65.7 | -156.1 | 0 | 0 | 112.4 | S879 F880 R892 Y896 | S879-E894 WeakPolarHBondContact OG-CA 3.44Å; S879-E894 WeakPolarHBondContact OG-CB 3.32Å; F880-E894 VanDerWaalsContact O-CA 3.27Å; F880-E894 WeakPolarHBondContact O-CA 3.24Å; F880-E894 PolarHBondContact O-N 3.19Å; R892-E894 VanDerWaalsContact C-N 3.34Å; R892-E894 VanDerWaalsContact CB-OE1 3.28Å; R892-E894 WeakPolarHBondContact CB-OE1 3.44Å; R892-E894 WeakPolarHBondContact CB-OE2 3.47Å; R892-E894 IonicContact CZ-OE1 2.78Å; R892-E894 IonicContact CZ-OE2 3.24Å; R892-E894 IonicContact NE-OE1 2.75Å; R892-E894 PolarHBondContact NE-OE1 2.78Å; R892-E894 IonicContact NE-OE2 3.15Å; R892-E894 PolarHBondContact NE-OE2 3.05Å; R892-E894 IonicContact NH2-OE1 3.43Å; R892-E894 PolarHBondContact NH2-OE1 2.58Å; R892-E894 IonicContact NH2-OE2 2.99Å; R892-E894 PolarHBondContact NH2-OE2 3.11Å; E894-Y896 PolarHBondContact O-N 3.32Å |
| 895 | D | 93 | Very high | 93.9 | Very high | 54 Ų | 54 | 49.3 Ų | 49.3 | 29% | 0.289 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.6 | -9.1 | 173.7 | -82.3 | -33.4 | 0 | 0 | 0 | 113.8 | K800 R892 A893 | K800-D895 HydrophobicContact CD-CB 4.2Å; K800-D895 WeakPolarHBondContact CD-O 3.45Å; K800-D895 WeakPolarHBondContact CG-O 3.31Å; K800-D895 IonicContact NZ-OD1 3.74Å; K800-D895 PolarHBondContact NZ-OD1 3.37Å; K800-D895 IonicContact NZ-OD2 3.9Å; K800-D895 PolarHBondContact NZ-OD2 3.31Å; R892-D895 HydrophobicContact CB-CB 4.23Å; R892-D895 WeakPolarHBondContact O-CB 3.38Å; R892-D895 PolarHBondContact O-N 2.93Å; A893-D895 PolarHBondContact O-N 2.92Å |
| 896 | Y | 95.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -135 | -28.5 | -175.5 | -67.3 | -92.6 | 0 | 0 | 0 | 114.1 | L797 A798 K800 W857 Y858 F891 R892 A893 E894 E901 | L797-Y896 HydrophobicContact CD2-CE2 4.1Å; L797-Y896 WeakPolarHBondContact CD2-OH 3.43Å; L797-Y896 VanDerWaalsContact CG-OH 3.26Å; L797-Y896 WeakPolarHBondContact CG-OH 3.37Å; A798-Y896 WeakPolarHBondContact O-CE1 3.24Å; A798-Y896 PolarHBondContact O-OH 3.28Å; K800-Y896 HydrophobicContact CB-CE1 4.4Å; K800-Y896 HydrophobicContact CG-CD1 4.37Å; K800-Y896 HydrophobicContact CG-CE1 3.88Å; K800-Y896 HydrophobicContact CG-CE2 4.32Å; W857-Y896 VanDerWaalsContact CH2-CB 3.5Å; W857-Y896 AromaticContact CH2-CD1 3.25Å; W857-Y896 HydrophobicContact CH2-CD1 3.25Å; W857-Y896 AromaticContact CH2-CD2 3.76Å; W857-Y896 HydrophobicContact CH2-CD2 3.76Å; W857-Y896 AromaticContact CH2-CE1 3.85Å; W857-Y896 HydrophobicContact CH2-CE1 3.85Å; W857-Y896 HydrophobicContact CH2-CE2 4.31Å; W857-Y896 AromaticContact CH2-CG 3.2Å; W857-Y896 HydrophobicContact CH2-CG 3.2Å; W857-Y896 AromaticContact CZ2-CD1 3.88Å; W857-Y896 HydrophobicContact CZ2-CD1 3.88Å; W857-Y896 HydrophobicContact CZ2-CD2 4.36Å; W857-Y896 HydrophobicContact CZ2-CE1 4.01Å; W857-Y896 HydrophobicContact CZ2-CE2 4.49Å; W857-Y896 HydrophobicContact CZ2-CG 4.08Å; W857-Y896 AromaticContact CZ3-CD1 3.62Å; W857-Y896 HydrophobicContact CZ3-CD1 3.62Å; W857-Y896 HydrophobicContact CZ3-CE1 4.47Å; W857-Y896 AromaticContact CZ3-CG 3.76Å; W857-Y896 HydrophobicContact CZ3-CG 3.76Å; Y858-Y896 WeakPolarHBondContact CE1-O 3.45Å; Y858-Y896 PolarHBondContact OH-O 2.82Å; F891-Y896 HydrophobicContact CB-CE2 4.38Å; F891-Y896 AromaticContact CD2-CD2 3.91Å; F891-Y896 HydrophobicContact CD2-CD2 3.91Å; F891-Y896 AromaticContact CD2-CE2 3.99Å; F891-Y896 HydrophobicContact CD2-CE2 3.99Å; F891-Y896 HydrophobicContact CE2-CD2 4.46Å; R892-Y896 WeakPolarHBondContact O-CD2 3.48Å; A893-Y896 PolarHBondContact O-N 2.95Å; E894-Y896 PolarHBondContact O-N 3.32Å; Y896-E901 WeakPolarHBondContact O-CB 3.48Å |
| 897 | A | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -126.8 | 26.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y858 V862 F880 A893 F982 | Y858-A897 HydrophobicContact CE1-CB 4.2Å; V862-A897 HydrophobicContact CG1-CB 3.86Å; F880-A897 HydrophobicContact CB-CB 4.16Å; F880-A897 HydrophobicContact CD2-CB 4.17Å; F880-A897 PolarHBondContact N-O 3.49Å; A893-A897 WeakPolarHBondContact O-CB 3.24Å; A893-A897 PolarHBondContact O-N 3.05Å; A897-F982 HydrophobicContact CB-CE2 4.37Å |
| 898 | D | 96.4 | Very high | 95.2 | Very high | 27 Ų | 27 | 38.3 Ų | 38.3 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -81.1 | 165.1 | 157.2 | 87.4 | 102.3 | 0 | 0 | 0 | 111.3 | S879 N900 E901 L902 | S879-D898 VanDerWaalsContact OG-CA 3.32Å; S879-D898 WeakPolarHBondContact OG-CA 3.45Å; S879-D898 VanDerWaalsContact OG-CB 3.24Å; S879-D898 WeakPolarHBondContact OG-CB 3.48Å; S879-D898 PolarHBondContact OG-N 3.46Å; D898-N900 VanDerWaalsContact C-N 3.27Å; D898-N900 PolarHBondContact O-N 2.87Å; D898-N900 VanDerWaalsContact OD1-CB 3.24Å; D898-N900 WeakPolarHBondContact OD1-CB 3.5Å; D898-N900 PolarHBondContact OD1-N 2.88Å; D898-N900 PolarHBondContact OD1-ND2 3.4Å; D898-E901 PolarHBondContact O-N 2.85Å; D898-E901 WeakPolarHBondContact OD2-CB 3.46Å; D898-E901 WeakPolarHBondContact OD2-CG 3.33Å; D898-E901 PolarHBondContact OD2-N 3.23Å; D898-L902 WeakPolarHBondContact O-CG 3.23Å; D898-L902 PolarHBondContact O-N 2.71Å |
| 899 | L | 98.1 | Very high | 95.6 | Very high | 26 Ų | 26 | 33.7 Ų | 33.7 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.7 | -37.2 | -178.2 | -177.8 | 61.8 | 0 | 0 | 0 | 113.1 | K878 L902 I903 E988 A989 | K878-L899 HydrophobicContact CB-CB 4.12Å; K878-L899 HydrophobicContact CD-CD2 3.77Å; K878-L899 PolarHBondContact O-N 3.26Å; L899-L902 PolarHBondContact O-N 3.42Å; L899-I903 HydrophobicContact CD1-CD1 4.37Å; L899-I903 HydrophobicContact CD1-CG1 4.43Å; L899-I903 HydrophobicContact CG-CD1 3.97Å; L899-I903 HydrophobicContact CG-CG1 4.48Å; L899-I903 WeakPolarHBondContact O-CB 3.48Å; L899-I903 VanDerWaalsContact O-CG1 3.23Å; L899-I903 WeakPolarHBondContact O-CG1 3.37Å; L899-I903 PolarHBondContact O-N 2.84Å; L899-E988 HydrophobicContact CD1-CB 3.99Å; L899-E988 HydrophobicContact CD1-CG 4Å; L899-E988 HydrophobicContact CD2-CG 4.27Å; L899-A989 HydrophobicContact CD1-CB 4.24Å |
| 900 | N | 97.2 | Very high | 95.9 | Very high | 115 Ų | 115 | 34 Ų | 34 | 62% | 0.615 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -70.5 | -39.5 | -178.2 | -58.1 | -68.2 | 0 | 0 | 0 | 111.9 | D898 L902 I903 A904 | D898-N900 VanDerWaalsContact C-N 3.27Å; D898-N900 PolarHBondContact O-N 2.87Å; D898-N900 VanDerWaalsContact OD1-CB 3.24Å; D898-N900 WeakPolarHBondContact OD1-CB 3.5Å; D898-N900 PolarHBondContact OD1-N 2.88Å; D898-N900 PolarHBondContact OD1-ND2 3.4Å; N900-L902 VanDerWaalsContact C-N 3.34Å; N900-I903 PolarHBondContact O-N 3.11Å; N900-A904 PolarHBondContact O-N 3.31Å |
| 901 | E | 97.7 | Very high | 96.2 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 10% | 0.098 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.5 | -37.4 | 174.6 | -67.5 | -64.4 | 155.3 | 0 | 0 | 111.2 | P801 S802 Y896 D898 A904 L905 | P801-E901 VanDerWaalsContact CB-O 3.27Å; P801-E901 WeakPolarHBondContact CB-O 3.42Å; P801-E901 VanDerWaalsContact CD-OE2 3.25Å; P801-E901 WeakPolarHBondContact CD-OE2 3.4Å; P801-E901 HydrophobicContact CG-CB 4.35Å; S802-E901 WeakPolarHBondContact CB-OE1 3.46Å; S802-E901 VanDerWaalsContact CB-OE2 3.26Å; S802-E901 WeakPolarHBondContact CB-OE2 3.46Å; S802-E901 PolarHBondContact N-OE2 3.32Å; S802-E901 VanDerWaalsContact OG-CD 3.29Å; S802-E901 PolarHBondContact OG-OE1 3.25Å; S802-E901 PolarHBondContact OG-OE2 3Å; Y896-E901 WeakPolarHBondContact O-CB 3.48Å; D898-E901 PolarHBondContact O-N 2.85Å; D898-E901 WeakPolarHBondContact OD2-CB 3.46Å; D898-E901 WeakPolarHBondContact OD2-CG 3.33Å; D898-E901 PolarHBondContact OD2-N 3.23Å; E901-A904 PolarHBondContact O-N 2.94Å; E901-L905 WeakPolarHBondContact O-CB 3.32Å; E901-L905 PolarHBondContact O-N 3.27Å |
| 902 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.2 | -33.3 | 173.4 | -66.4 | 174.7 | 0 | 0 | 0 | 112.9 | Y858 D898 L899 N900 L905 T906 F982 L985 A989 | Y858-L902 HydrophobicContact CE1-CD2 3.99Å; D898-L902 WeakPolarHBondContact O-CG 3.23Å; D898-L902 PolarHBondContact O-N 2.71Å; L899-L902 PolarHBondContact O-N 3.42Å; N900-L902 VanDerWaalsContact C-N 3.34Å; L902-L905 HydrophobicContact CD2-CD2 4.27Å; L902-L905 PolarHBondContact O-N 3.47Å; L902-T906 VanDerWaalsContact O-CB 3.31Å; L902-T906 WeakPolarHBondContact O-CB 3.44Å; L902-T906 PolarHBondContact O-N 3.05Å; L902-T906 PolarHBondContact O-OG1 3.28Å; L902-F982 HydrophobicContact CD1-CE2 4.21Å; L902-F982 HydrophobicContact CD2-CE2 4.04Å; L902-F982 HydrophobicContact CD2-CZ 4.08Å; L902-L985 HydrophobicContact CD1-CB 3.53Å; L902-L985 HydrophobicContact CD1-CD1 4.12Å; L902-L985 HydrophobicContact CD1-CG 4.48Å; L902-A989 HydrophobicContact CB-CB 3.83Å |
| 903 | I | 98.7 | Very high | 96.5 | Very high | 31 Ų | 31 | 26 Ų | 26 | 16% | 0.159 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 169.8 | -73.4 | 165.9 | 0 | 0 | 0 | 109.8 | L899 N900 T906 E907 A989 V993 | L899-I903 HydrophobicContact CD1-CD1 4.37Å; L899-I903 HydrophobicContact CD1-CG1 4.43Å; L899-I903 HydrophobicContact CG-CD1 3.97Å; L899-I903 HydrophobicContact CG-CG1 4.48Å; L899-I903 WeakPolarHBondContact O-CB 3.48Å; L899-I903 VanDerWaalsContact O-CG1 3.23Å; L899-I903 WeakPolarHBondContact O-CG1 3.37Å; L899-I903 PolarHBondContact O-N 2.84Å; N900-I903 PolarHBondContact O-N 3.11Å; I903-T906 WeakPolarHBondContact O-CB 3.43Å; I903-T906 PolarHBondContact O-N 2.83Å; I903-E907 PolarHBondContact O-N 3.12Å; I903-A989 HydrophobicContact CG1-CB 3.88Å; I903-V993 HydrophobicContact CG2-CG2 3.91Å |
| 904 | A | 98 | Very high | 96.6 | Very high | 5 Ų | 5 | 26 Ų | 26 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | P801 L805 N900 E901 T906 E907 L908 | P801-A904 HydrophobicContact CB-CB 4.06Å; L805-A904 HydrophobicContact CB-CB 4.37Å; L805-A904 HydrophobicContact CD2-CB 3.75Å; N900-A904 PolarHBondContact O-N 3.31Å; E901-A904 PolarHBondContact O-N 2.94Å; A904-T906 VanDerWaalsContact C-N 3.34Å; A904-T906 PolarHBondContact O-N 3.42Å; A904-E907 PolarHBondContact O-N 3.34Å; A904-L908 WeakPolarHBondContact O-CG 3.36Å; A904-L908 PolarHBondContact O-N 3.26Å; A904-L908 VanDerWaalsContact O-N 3.17Å |
| 905 | L | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 173.2 | -177.8 | 67.2 | 0 | 0 | 0 | 111.1 | P801 Y854 Y858 E901 L902 E907 L908 I909 I914 I917 | P801-L905 HydrophobicContact CB-CB 3.88Å; P801-L905 HydrophobicContact CG-CB 4.1Å; P801-L905 HydrophobicContact CG-CD1 4.5Å; Y854-L905 HydrophobicContact CD1-CD1 3.86Å; Y854-L905 HydrophobicContact CD2-CD1 3.74Å; Y854-L905 HydrophobicContact CE1-CD1 4.35Å; Y854-L905 HydrophobicContact CE2-CD1 4.26Å; Y854-L905 HydrophobicContact CG-CD1 3.51Å; Y858-L905 HydrophobicContact CD2-CD2 4.11Å; Y858-L905 HydrophobicContact CE2-CD1 4.49Å; Y858-L905 HydrophobicContact CE2-CD2 3.43Å; Y858-L905 VanDerWaalsContact CE2-CD2 3.43Å; E901-L905 WeakPolarHBondContact O-CB 3.32Å; E901-L905 PolarHBondContact O-N 3.27Å; L902-L905 HydrophobicContact CD2-CD2 4.27Å; L902-L905 PolarHBondContact O-N 3.47Å; L905-E907 VanDerWaalsContact C-N 3.3Å; L905-E907 PolarHBondContact O-N 3.25Å; L905-L908 WeakPolarHBondContact O-CB 3.44Å; L905-L908 PolarHBondContact O-N 3.3Å; L905-I909 HydrophobicContact CD1-CD1 4.13Å; L905-I909 HydrophobicContact CD1-CG2 4.36Å; L905-I909 HydrophobicContact CD2-CD1 4.39Å; L905-I909 HydrophobicContact CG-CD1 3.98Å; L905-I909 HydrophobicContact CG-CG1 4.35Å; L905-I909 WeakPolarHBondContact O-CG1 3.24Å; L905-I909 PolarHBondContact O-N 3.37Å; L905-I914 HydrophobicContact CD2-CD1 4.02Å; L905-I914 HydrophobicContact CG-CD1 4.18Å; L905-I917 HydrophobicContact CD2-CD1 4.04Å |
| 906 | T | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -39.1 | 178.2 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | L902 I903 A904 L908 G910 I914 V990 V993 | L902-T906 VanDerWaalsContact O-CB 3.31Å; L902-T906 WeakPolarHBondContact O-CB 3.44Å; L902-T906 PolarHBondContact O-N 3.05Å; L902-T906 PolarHBondContact O-OG1 3.28Å; I903-T906 WeakPolarHBondContact O-CB 3.43Å; I903-T906 PolarHBondContact O-N 2.83Å; A904-T906 VanDerWaalsContact C-N 3.34Å; A904-T906 PolarHBondContact O-N 3.42Å; T906-L908 VanDerWaalsContact C-N 3.28Å; T906-L908 PolarHBondContact O-N 3.21Å; T906-G910 WeakPolarHBondContact O-CA 3.48Å; T906-G910 PolarHBondContact O-N 2.97Å; T906-I914 HydrophobicContact CG2-CG1 4.2Å; T906-I914 WeakPolarHBondContact OG1-CD1 3.4Å; T906-I914 WeakPolarHBondContact OG1-CG1 3.44Å; T906-V990 HydrophobicContact CG2-CB 4.4Å; T906-V990 HydrophobicContact CG2-CG2 3.93Å; T906-V993 HydrophobicContact CG2-CB 3.83Å; T906-V993 HydrophobicContact CG2-CG1 4.24Å; T906-V993 HydrophobicContact CG2-CG2 3.63Å |
| 907 | E | 97 | Very high | 96.9 | Very high | 48 Ų | 48 | 28.3 Ų | 28.3 | 22% | 0.224 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.5 | -30 | 173.8 | -74.7 | -160.3 | -136.6 | 0 | 0 | 112.8 | L805 R809 I903 A904 L905 V993 R997 | L805-E907 HydrophobicContact CD1-CB 4.16Å; L805-E907 HydrophobicContact CD2-CB 4Å; R809-E907 IonicContact CZ-OE2 2.61Å; R809-E907 IonicContact NH2-OE1 2.78Å; R809-E907 PolarHBondContact NH2-OE1 2.91Å; R809-E907 IonicContact NH2-OE2 3.43Å; R809-E907 PolarHBondContact NH2-OE2 3.13Å; I903-E907 PolarHBondContact O-N 3.12Å; A904-E907 PolarHBondContact O-N 3.34Å; L905-E907 VanDerWaalsContact C-N 3.3Å; L905-E907 PolarHBondContact O-N 3.25Å; E907-V993 HydrophobicContact CG-CG1 4.03Å; E907-V993 HydrophobicContact CG-CG2 3.74Å; E907-R997 IonicContact OE2-CZ 3.44Å; E907-R997 IonicContact OE2-NH2 2.65Å; E907-R997 PolarHBondContact OE2-NH2 3.32Å |
| 908 | L | 96.6 | Very high | 96.9 | Very high | 14 Ų | 14 | 28.4 Ų | 28.4 | 7% | 0.073 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -77.8 | -45.7 | 179.5 | -74.9 | 167.9 | 0 | 0 | 0 | 113.4 | P801 L804 L805 V808 M850 A904 L905 T906 | P801-L908 WeakPolarHBondContact O-CD1 3.37Å; L804-L908 HydrophobicContact CB-CD1 4.07Å; L804-L908 HydrophobicContact CD2-CD1 3.99Å; L804-L908 HydrophobicContact CG-CD1 3.94Å; L804-L908 HydrophobicContact CG-CD2 4.4Å; L805-L908 HydrophobicContact CB-CD1 4.12Å; L805-L908 HydrophobicContact CB-CD2 4.22Å; L805-L908 HydrophobicContact CB-CG 4.06Å; L805-L908 HydrophobicContact CD1-CD2 3.95Å; L805-L908 HydrophobicContact CD1-CG 4.07Å; V808-L908 HydrophobicContact CB-CD2 4.06Å; V808-L908 HydrophobicContact CG1-CD2 4.32Å; V808-L908 HydrophobicContact CG2-CD2 3.78Å; M850-L908 HydrophobicContact CE-CB 4.45Å; M850-L908 HydrophobicContact CE-CD2 4.28Å; M850-L908 HydrophobicContact SD-CB 4.47Å; M850-L908 HydrophobicContact SD-CD2 4.19Å; A904-L908 WeakPolarHBondContact O-CG 3.36Å; A904-L908 PolarHBondContact O-N 3.26Å; A904-L908 VanDerWaalsContact O-N 3.17Å; L905-L908 WeakPolarHBondContact O-CB 3.44Å; L905-L908 PolarHBondContact O-N 3.3Å; T906-L908 VanDerWaalsContact C-N 3.28Å; T906-L908 PolarHBondContact O-N 3.21Å |
| 909 | I | 96.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -108.2 | -5.5 | -171.9 | 73 | 176.8 | 0 | 0 | 0 | 113.6 | T838 M850 T851 L905 G913 I914 I917 | T838-I909 VanDerWaalsContact CA-O 3.26Å; T838-I909 WeakPolarHBondContact CA-O 3.32Å; T838-I909 WeakPolarHBondContact CB-O 3.48Å; M850-I909 HydrophobicContact CB-CG2 3.86Å; T851-I909 WeakPolarHBondContact OG1-CB 3.22Å; L905-I909 HydrophobicContact CD1-CD1 4.13Å; L905-I909 HydrophobicContact CD1-CG2 4.36Å; L905-I909 HydrophobicContact CD2-CD1 4.39Å; L905-I909 HydrophobicContact CG-CD1 3.98Å; L905-I909 HydrophobicContact CG-CG1 4.35Å; L905-I909 WeakPolarHBondContact O-CG1 3.24Å; L905-I909 PolarHBondContact O-N 3.37Å; I909-G913 VanDerWaalsContact CD1-C 3.5Å; I909-G913 WeakPolarHBondContact O-CA 3.46Å; I909-G913 PolarHBondContact O-N 3.16Å; I909-I914 HydrophobicContact CD1-CD1 3.95Å; I909-I914 HydrophobicContact CD1-CG1 4.3Å; I909-I914 HydrophobicContact CG1-CD1 4.21Å; I909-I914 HydrophobicContact CG1-CG1 4.21Å; I909-I917 HydrophobicContact CD1-CD1 3.71Å |
| 910 | G | 94.6 | Very high | 96.7 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 13% | 0.134 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | 66.8 | 177.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T906 L912 G913 I914 | T906-G910 WeakPolarHBondContact O-CA 3.48Å; T906-G910 PolarHBondContact O-N 2.97Å; G910-L912 PolarHBondContact O-N 2.77Å; G910-G913 PolarHBondContact O-N 3Å; G910-I914 PolarHBondContact O-N 3.09Å; G910-I914 VanDerWaalsContact O-N 3.11Å |
| 911 | P | 94.5 | Very high | 96.7 | Very high | 48 Ų | 48 | 27.2 Ų | 27.2 | 31% | 0.312 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -60.3 | -31.3 | 178.6 | -23.1 | 33 | 0 | 0 | 0 | 113.4 | K915 V990 L994 | P911-K915 VanDerWaalsContact O-CB 3.24Å; P911-K915 WeakPolarHBondContact O-CB 3.39Å; P911-K915 PolarHBondContact O-N 3.17Å; P911-V990 HydrophobicContact CB-CG1 4.23Å; P911-V990 HydrophobicContact CG-CG1 4.48Å; P911-L994 HydrophobicContact CG-CD1 4.46Å; P911-L994 HydrophobicContact CG-CD2 3.94Å; P911-L994 HydrophobicContact CG-CG 4.41Å |
| 912 | L | 94.5 | Very high | 96.6 | Very high | 94 Ų | 94 | 26.4 Ų | 26.4 | 49% | 0.492 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -68.9 | -42.4 | 177.7 | -66.2 | 175.3 | 0 | 0 | 0 | 111.9 | G910 K915 F916 | G910-L912 PolarHBondContact O-N 2.77Å; L912-K915 WeakPolarHBondContact O-CB 3.48Å; L912-K915 PolarHBondContact O-N 2.94Å; L912-F916 PolarHBondContact O-N 2.89Å |
| 913 | G | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T838 T851 I909 G910 K915 F916 I917 | T838-G913 PolarHBondContact O-N 2.64Å; T851-G913 WeakPolarHBondContact OG1-CA 3.39Å; I909-G913 VanDerWaalsContact CD1-C 3.5Å; I909-G913 WeakPolarHBondContact O-CA 3.46Å; I909-G913 PolarHBondContact O-N 3.16Å; G910-G913 PolarHBondContact O-N 3Å; G913-K915 VanDerWaalsContact C-N 3.33Å; G913-K915 PolarHBondContact O-N 3.49Å; G913-F916 WeakPolarHBondContact O-CB 3.35Å; G913-F916 PolarHBondContact O-N 2.82Å; G913-I917 WeakPolarHBondContact O-CG1 3.15Å; G913-I917 PolarHBondContact O-N 2.95Å; G913-I917 VanDerWaalsContact O-N 3.11Å |
| 914 | I | 97.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 175 | -61.8 | -68.8 | 0 | 0 | 0 | 111.4 | L905 T906 I909 G910 F916 I917 C918 C986 V990 | L905-I914 HydrophobicContact CD2-CD1 4.02Å; L905-I914 HydrophobicContact CG-CD1 4.18Å; T906-I914 HydrophobicContact CG2-CG1 4.2Å; T906-I914 WeakPolarHBondContact OG1-CD1 3.4Å; T906-I914 WeakPolarHBondContact OG1-CG1 3.44Å; I909-I914 HydrophobicContact CD1-CD1 3.95Å; I909-I914 HydrophobicContact CD1-CG1 4.3Å; I909-I914 HydrophobicContact CG1-CD1 4.21Å; I909-I914 HydrophobicContact CG1-CG1 4.21Å; G910-I914 PolarHBondContact O-N 3.09Å; G910-I914 VanDerWaalsContact O-N 3.11Å; I914-F916 VanDerWaalsContact C-N 3.31Å; I914-F916 PolarHBondContact O-N 3.3Å; I914-I917 HydrophobicContact CD1-CD1 4.5Å; I914-I917 PolarHBondContact O-N 3.49Å; I914-C918 WeakPolarHBondContact O-CB 3.39Å; I914-C918 PolarHBondContact O-N 2.98Å; I914-C918 PolarHBondContact O-SG 3.11Å; I914-C918 VanDerWaalsContact O-SG 3.34Å; I914-C986 HydrophobicContact CG2-CB 3.81Å; I914-V990 HydrophobicContact CB-CG2 3.77Å; I914-V990 HydrophobicContact CG1-CG2 3.94Å; I914-V990 HydrophobicContact CG2-CG2 3.55Å |
| 915 | K | 95.3 | Very high | 96.2 | Very high | 83 Ų | 83 | 32.5 Ų | 32.5 | 36% | 0.361 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58.1 | -44.9 | 173.3 | 176.4 | 173.3 | 179.7 | 167.1 | 0 | 111.1 | P911 L912 G913 I917 C918 D919 | P911-K915 VanDerWaalsContact O-CB 3.24Å; P911-K915 WeakPolarHBondContact O-CB 3.39Å; P911-K915 PolarHBondContact O-N 3.17Å; L912-K915 WeakPolarHBondContact O-CB 3.48Å; L912-K915 PolarHBondContact O-N 2.94Å; G913-K915 VanDerWaalsContact C-N 3.33Å; G913-K915 PolarHBondContact O-N 3.49Å; K915-I917 VanDerWaalsContact C-N 3.33Å; K915-I917 PolarHBondContact O-N 2.89Å; K915-C918 PolarHBondContact O-N 2.85Å; K915-D919 WeakPolarHBondContact CE-OD2 3.42Å; K915-D919 WeakPolarHBondContact CG-OD2 3.44Å; K915-D919 WeakPolarHBondContact O-CB 3.5Å; K915-D919 VanDerWaalsContact O-CG 3.31Å; K915-D919 PolarHBondContact O-N 3.25Å |
| 916 | F | 96.6 | Very high | 96.1 | Very high | 64 Ų | 64 | 32.5 Ų | 32.5 | 28% | 0.281 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58.2 | -43.4 | 176.4 | 177.9 | -100 | 0 | 0 | 0 | 112.5 | P840 T851 A855 L912 G913 I914 R920 | P840-F916 HydrophobicContact CB-CD1 4.49Å; P840-F916 HydrophobicContact CB-CD2 4.5Å; P840-F916 HydrophobicContact CB-CE1 4Å; P840-F916 HydrophobicContact CB-CE2 4.02Å; P840-F916 HydrophobicContact CB-CZ 3.74Å; P840-F916 HydrophobicContact CG-CD2 4.28Å; P840-F916 HydrophobicContact CG-CE2 3.94Å; P840-F916 HydrophobicContact CG-CZ 4.19Å; T851-F916 HydrophobicContact CG2-CB 4.03Å; T851-F916 HydrophobicContact CG2-CD1 3.53Å; T851-F916 HydrophobicContact CG2-CE1 4.26Å; T851-F916 HydrophobicContact CG2-CG 3.99Å; A855-F916 HydrophobicContact CB-CD1 3.87Å; A855-F916 HydrophobicContact CB-CE1 3.73Å; L912-F916 PolarHBondContact O-N 2.89Å; G913-F916 WeakPolarHBondContact O-CB 3.35Å; G913-F916 PolarHBondContact O-N 2.82Å; I914-F916 VanDerWaalsContact C-N 3.31Å; I914-F916 PolarHBondContact O-N 3.3Å; F916-R920 HydrophobicContact CZ-CG 4.5Å; F916-R920 WeakPolarHBondContact O-CG 3.33Å; F916-R920 PolarHBondContact O-N 2.76Å |
| 917 | I | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -50.2 | 174.3 | -61.4 | 178.1 | 0 | 0 | 0 | 110.6 | A855 L905 I909 G913 I914 K915 D919 R920 L921 F982 | A855-I917 HydrophobicContact CB-CG1 3.72Å; L905-I917 HydrophobicContact CD2-CD1 4.04Å; I909-I917 HydrophobicContact CD1-CD1 3.71Å; G913-I917 WeakPolarHBondContact O-CG1 3.15Å; G913-I917 PolarHBondContact O-N 2.95Å; G913-I917 VanDerWaalsContact O-N 3.11Å; I914-I917 HydrophobicContact CD1-CD1 4.5Å; I914-I917 PolarHBondContact O-N 3.49Å; K915-I917 VanDerWaalsContact C-N 3.33Å; K915-I917 PolarHBondContact O-N 2.89Å; I917-D919 PolarHBondContact O-N 3.19Å; I917-R920 PolarHBondContact O-N 3.33Å; I917-L921 WeakPolarHBondContact O-CB 3.39Å; I917-L921 PolarHBondContact O-N 3.4Å; I917-F982 HydrophobicContact CG2-CE1 4.28Å |
| 918 | C | 96 | Very high | 96 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -37.6 | -178 | -71.9 | 0 | 0 | 0 | 0 | 112.9 | I914 K915 L921 M922 R983 | I914-C918 WeakPolarHBondContact O-CB 3.39Å; I914-C918 PolarHBondContact O-N 2.98Å; I914-C918 PolarHBondContact O-SG 3.11Å; I914-C918 VanDerWaalsContact O-SG 3.34Å; K915-C918 PolarHBondContact O-N 2.85Å; C918-L921 WeakPolarHBondContact O-CB 3.19Å; C918-L921 PolarHBondContact O-N 3.23Å; C918-M922 WeakPolarHBondContact O-CB 3.44Å; C918-M922 VanDerWaalsContact O-CG 3.3Å; C918-M922 WeakPolarHBondContact O-CG 3.45Å; C918-M922 PolarHBondContact O-N 2.94Å; C918-R983 HydrophobicContact CB-CG 4.37Å |
| 919 | D | 94.7 | Very high | 96.1 | Very high | 45 Ų | 45 | 37.1 Ų | 37.1 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.8 | -41.6 | 178.6 | -74.1 | -14.6 | 0 | 0 | 0 | 110.5 | K915 I917 L921 M922 H923 N1066 | K915-D919 WeakPolarHBondContact CE-OD2 3.42Å; K915-D919 WeakPolarHBondContact CG-OD2 3.44Å; K915-D919 WeakPolarHBondContact O-CB 3.5Å; K915-D919 VanDerWaalsContact O-CG 3.31Å; K915-D919 PolarHBondContact O-N 3.25Å; I917-D919 PolarHBondContact O-N 3.19Å; D919-L921 VanDerWaalsContact C-N 3.32Å; D919-L921 PolarHBondContact O-N 2.78Å; D919-M922 PolarHBondContact O-N 3.44Å; D919-M922 VanDerWaalsContact O-N 3.16Å; D919-H923 PolarHBondContact O-CD2 3.47Å; D919-H923 PolarHBondContact O-N 3.4Å; D919-N1066 PolarHBondContact OD1-ND2 3.23Å |
| 920 | R | 96 | Very high | 96 | Very high | 98 Ų | 98 | 39.8 Ų | 39.8 | 37% | 0.37 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 171.9 | -71.9 | -174.6 | 68.7 | -178.1 | 0.1 | 112.2 | L859 F916 I917 M922 H923 S924 | L859-R920 HydrophobicContact CD1-CB 3.81Å; F916-R920 HydrophobicContact CZ-CG 4.5Å; F916-R920 WeakPolarHBondContact O-CG 3.33Å; F916-R920 PolarHBondContact O-N 2.76Å; I917-R920 PolarHBondContact O-N 3.33Å; R920-M922 VanDerWaalsContact C-N 3.3Å; R920-M922 PolarHBondContact O-N 3.2Å; R920-H923 PolarHBondContact O-N 2.91Å; R920-S924 PolarHBondContact O-N 3.48Å |
| 921 | L | 96.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 175 | -172.5 | 65.9 | 0 | 0 | 0 | 111.4 | L859 I863 I917 C918 D919 S924 V925 A979 F982 R983 | L859-L921 HydrophobicContact CD2-CB 4.33Å; L859-L921 HydrophobicContact CD2-CD1 3.94Å; I863-L921 HydrophobicContact CD1-CD1 4.5Å; I863-L921 HydrophobicContact CG1-CD1 4.26Å; I863-L921 HydrophobicContact CG2-CD1 4.18Å; I917-L921 WeakPolarHBondContact O-CB 3.39Å; I917-L921 PolarHBondContact O-N 3.4Å; C918-L921 WeakPolarHBondContact O-CB 3.19Å; C918-L921 PolarHBondContact O-N 3.23Å; D919-L921 VanDerWaalsContact C-N 3.32Å; D919-L921 PolarHBondContact O-N 2.78Å; L921-S924 WeakPolarHBondContact O-CB 3.23Å; L921-S924 PolarHBondContact O-N 3.34Å; L921-V925 WeakPolarHBondContact O-CG2 3.32Å; L921-V925 PolarHBondContact O-N 3.4Å; L921-A979 HydrophobicContact CD1-CB 3.67Å; L921-A979 HydrophobicContact CD2-CB 4.18Å; L921-A979 VanDerWaalsContact CD2-O 3.24Å; L921-A979 WeakPolarHBondContact CD2-O 3.42Å; L921-A979 HydrophobicContact CG-CB 3.85Å; L921-F982 HydrophobicContact CD2-CD1 3.89Å; L921-R983 HydrophobicContact CD2-CB 4.16Å |
| 922 | M | 95.2 | Very high | 96.3 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.9 | -30.2 | 178.2 | -73.9 | -53 | -64.7 | 0 | 0 | 113.8 | C918 D919 R920 S924 V925 G926 L980 R983 N1066 L1067 I1070 | C918-M922 WeakPolarHBondContact O-CB 3.44Å; C918-M922 VanDerWaalsContact O-CG 3.3Å; C918-M922 WeakPolarHBondContact O-CG 3.45Å; C918-M922 PolarHBondContact O-N 2.94Å; D919-M922 PolarHBondContact O-N 3.44Å; D919-M922 VanDerWaalsContact O-N 3.16Å; R920-M922 VanDerWaalsContact C-N 3.3Å; R920-M922 PolarHBondContact O-N 3.2Å; M922-S924 VanDerWaalsContact C-N 3.35Å; M922-V925 HydrophobicContact CE-CB 4.35Å; M922-V925 HydrophobicContact CE-CG1 4.11Å; M922-V925 PolarHBondContact O-N 3.39Å; M922-V925 HydrophobicContact SD-CB 4.21Å; M922-V925 HydrophobicContact SD-CG1 4.44Å; M922-V925 HydrophobicContact SD-CG2 4.12Å; M922-G926 PolarHBondContact O-N 3.06Å; M922-L980 HydrophobicContact SD-CD2 4.1Å; M922-R983 PolarHBondContact SD-NH1 3.25Å; M922-N1066 HydrophobicContact CB-CB 4.23Å; M922-N1066 HydrophobicContact CE-CB 4.2Å; M922-N1066 HydrophobicContact CG-CB 4.06Å; M922-L1067 HydrophobicContact CE-CB 3.84Å; M922-I1070 HydrophobicContact CB-CD1 4.38Å; M922-I1070 VanDerWaalsContact O-CD1 3.27Å; M922-I1070 WeakPolarHBondContact O-CD1 3.45Å |
| 923 | H | 94.6 | Very high | 96.3 | Very high | 128 Ų | 128 | 39 Ų | 39 | 59% | 0.593 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -60.2 | -46.3 | 167.3 | -79.5 | -68.4 | 0 | 0 | 0 | 111.2 | D919 R920 V925 G926 D927 | D919-H923 PolarHBondContact O-CD2 3.47Å; D919-H923 PolarHBondContact O-N 3.4Å; R920-H923 PolarHBondContact O-N 2.91Å; H923-V925 PolarHBondContact O-N 3.47Å; H923-G926 WeakPolarHBondContact O-CA 3.42Å; H923-G926 PolarHBondContact O-N 2.97Å; H923-G926 VanDerWaalsContact O-N 3.09Å; H923-D927 PolarHBondContact O-N 3.25Å |
| 924 | S | 94.9 | Very high | 96.3 | Very high | 37 Ų | 37 | 44.6 Ų | 44.6 | 26% | 0.259 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 176 | -176 | 0 | 0 | 0 | 0 | 112.8 | R920 L921 M922 G926 D927 R928 | R920-S924 PolarHBondContact O-N 3.48Å; L921-S924 WeakPolarHBondContact O-CB 3.23Å; L921-S924 PolarHBondContact O-N 3.34Å; M922-S924 VanDerWaalsContact C-N 3.35Å; S924-G926 VanDerWaalsContact C-N 3.29Å; S924-G926 PolarHBondContact O-N 3.43Å; S924-D927 PolarHBondContact O-N 2.91Å; S924-R928 PolarHBondContact O-N 3.33Å; S924-R928 VanDerWaalsContact O-N 3.14Å |
| 925 | V | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.8 | -45.7 | 171.4 | 167.2 | 0 | 0 | 0 | 0 | 110.3 | L921 M922 H923 D927 R928 V929 I976 A979 L1067 | L921-V925 WeakPolarHBondContact O-CG2 3.32Å; L921-V925 PolarHBondContact O-N 3.4Å; M922-V925 HydrophobicContact CE-CB 4.35Å; M922-V925 HydrophobicContact CE-CG1 4.11Å; M922-V925 PolarHBondContact O-N 3.39Å; M922-V925 HydrophobicContact SD-CB 4.21Å; M922-V925 HydrophobicContact SD-CG1 4.44Å; M922-V925 HydrophobicContact SD-CG2 4.12Å; H923-V925 PolarHBondContact O-N 3.47Å; V925-D927 VanDerWaalsContact C-N 3.34Å; V925-D927 PolarHBondContact O-N 3.28Å; V925-R928 PolarHBondContact O-N 3.19Å; V925-V929 HydrophobicContact CG1-CG2 4.39Å; V925-V929 WeakPolarHBondContact O-CG2 3.15Å; V925-V929 PolarHBondContact O-N 2.62Å; V925-I976 HydrophobicContact CG1-CG1 4.29Å; V925-I976 HydrophobicContact CG1-CG2 3.97Å; V925-A979 HydrophobicContact CG2-CB 3.53Å; V925-L1067 HydrophobicContact CG1-CD1 4.44Å |
| 926 | G | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -50.6 | -54.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | M922 H923 S924 R928 V929 D930 R1074 | M922-G926 PolarHBondContact O-N 3.06Å; H923-G926 WeakPolarHBondContact O-CA 3.42Å; H923-G926 PolarHBondContact O-N 2.97Å; H923-G926 VanDerWaalsContact O-N 3.09Å; S924-G926 VanDerWaalsContact C-N 3.29Å; S924-G926 PolarHBondContact O-N 3.43Å; G926-R928 PolarHBondContact O-N 3.21Å; G926-V929 WeakPolarHBondContact O-CA 3.44Å; G926-V929 WeakPolarHBondContact O-CB 3.39Å; G926-V929 PolarHBondContact O-N 3.38Å; G926-D930 PolarHBondContact O-N 2.96Å; G926-R1074 PolarHBondContact O-NH1 3.24Å; G926-R1074 PolarHBondContact O-NH2 3.4Å |
| 927 | D | 96.8 | Very high | 96.3 | Very high | 96 Ų | 96 | 43.1 Ų | 43.1 | 51% | 0.513 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.7 | -39 | -177.2 | -61.4 | -27.5 | 0 | 0 | 0 | 111.7 | H923 S924 V925 V929 D930 E931 | H923-D927 PolarHBondContact O-N 3.25Å; S924-D927 PolarHBondContact O-N 2.91Å; V925-D927 VanDerWaalsContact C-N 3.34Å; V925-D927 PolarHBondContact O-N 3.28Å; D927-V929 PolarHBondContact O-N 2.95Å; D927-D930 PolarHBondContact O-N 2.98Å; D927-E931 PolarHBondContact O-N 2.86Å |
| 928 | R | 97.2 | Very high | 96.2 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 21% | 0.211 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67 | -35.4 | 175.1 | -62.7 | -29.1 | -170.1 | 22 | -23.1 | 113 | S924 V925 G926 D930 E931 I932 L972 E975 I976 | S924-R928 PolarHBondContact O-N 3.33Å; S924-R928 VanDerWaalsContact O-N 3.14Å; V925-R928 PolarHBondContact O-N 3.19Å; G926-R928 PolarHBondContact O-N 3.21Å; R928-D930 VanDerWaalsContact C-N 3.3Å; R928-D930 PolarHBondContact O-N 3.26Å; R928-E931 PolarHBondContact O-N 3.2Å; R928-I932 WeakPolarHBondContact O-CG1 3.44Å; R928-I932 PolarHBondContact O-N 3.04Å; R928-L972 HydrophobicContact CB-CD2 4.05Å; R928-L972 HydrophobicContact CG-CD2 4.07Å; R928-E975 IonicContact CZ-OE1 2.88Å; R928-E975 VanDerWaalsContact CZ-OE1 3.29Å; R928-E975 IonicContact CZ-OE2 3.22Å; R928-E975 IonicContact NE-OE2 3.47Å; R928-E975 VanDerWaalsContact NH1-CB 3.26Å; R928-E975 IonicContact NH1-OE1 3.11Å; R928-E975 PolarHBondContact NH1-OE1 2.92Å; R928-E975 VanDerWaalsContact NH1-OE1 3.15Å; R928-E975 IonicContact NH1-OE2 2.78Å; R928-E975 PolarHBondContact NH1-OE2 3.05Å; R928-E975 IonicContact NH2-OE1 3.35Å; R928-E975 PolarHBondContact NH2-OE1 2.86Å; R928-E975 IonicContact NH2-OE2 2.78Å; R928-E975 PolarHBondContact NH2-OE2 3.39Å; R928-E975 VanDerWaalsContact NH2-OE2 3.13Å; R928-I976 HydrophobicContact CB-CD1 3.84Å; R928-I976 HydrophobicContact CB-CG1 3.67Å; R928-I976 HydrophobicContact CG-CG1 4.43Å |
| 929 | V | 97.1 | Very high | 96.2 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -35.9 | 174.2 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | V925 G926 D927 I932 N933 I976 L1067 L1071 L1151 | V925-V929 HydrophobicContact CG1-CG2 4.39Å; V925-V929 WeakPolarHBondContact O-CG2 3.15Å; V925-V929 PolarHBondContact O-N 2.62Å; G926-V929 WeakPolarHBondContact O-CA 3.44Å; G926-V929 WeakPolarHBondContact O-CB 3.39Å; G926-V929 PolarHBondContact O-N 3.38Å; D927-V929 PolarHBondContact O-N 2.95Å; V929-I932 PolarHBondContact O-N 2.89Å; V929-N933 WeakPolarHBondContact O-CB 3.43Å; V929-N933 PolarHBondContact O-N 3.31Å; V929-I976 HydrophobicContact CG2-CD1 3.74Å; V929-L1067 HydrophobicContact CG2-CD1 4.26Å; V929-L1071 HydrophobicContact CG1-CD2 3.87Å; V929-L1151 HydrophobicContact CG1-CD2 4.23Å; V929-L1151 HydrophobicContact CG2-CD2 3.49Å; V929-L1151 VanDerWaalsContact CG2-CD2 3.49Å |
| 930 | D | 95.3 | Very high | 96.2 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.5 | -41 | 175.2 | -74.1 | -19.3 | 0 | 0 | 0 | 111.7 | G926 D927 R928 N933 K934 R1074 | G926-D930 PolarHBondContact O-N 2.96Å; D927-D930 PolarHBondContact O-N 2.98Å; R928-D930 VanDerWaalsContact C-N 3.3Å; R928-D930 PolarHBondContact O-N 3.26Å; D930-N933 WeakPolarHBondContact O-CB 3.43Å; D930-N933 PolarHBondContact O-N 3.37Å; D930-K934 WeakPolarHBondContact O-CG 3.46Å; D930-K934 PolarHBondContact O-N 3.26Å; D930-R1074 WeakPolarHBondContact OD1-CD 3.43Å; D930-R1074 IonicContact OD1-CZ 3.41Å; D930-R1074 IonicContact OD1-NE 3.25Å; D930-R1074 PolarHBondContact OD1-NE 3.26Å; D930-R1074 IonicContact OD1-NH1 3.26Å; D930-R1074 PolarHBondContact OD1-NH1 3.34Å; D930-R1074 IonicContact OD1-NH2 2.72Å; D930-R1074 IonicContact OD2-CZ 3.7Å; D930-R1074 IonicContact OD2-NE 2.68Å; D930-R1074 PolarHBondContact OD2-NE 2.98Å; D930-R1074 VanDerWaalsContact OD2-NE 3.11Å; D930-R1074 IonicContact OD2-NH1 2.71Å; D930-R1074 PolarHBondContact OD2-NH1 3.35Å; D930-R1074 IonicContact OD2-NH2 2.66Å; D930-R1074 PolarHBondContact OD2-NH2 3.1Å |
| 931 | E | 97.3 | Very high | 96.1 | Very high | 79 Ų | 79 | 47.7 Ų | 47.7 | 37% | 0.369 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 173.5 | -67.4 | -53.4 | 139.5 | 0 | 0 | 111.9 | D927 R928 N933 K934 L935 L972 | D927-E931 PolarHBondContact O-N 2.86Å; R928-E931 PolarHBondContact O-N 3.2Å; E931-N933 VanDerWaalsContact C-N 3.3Å; E931-N933 PolarHBondContact O-N 3.48Å; E931-K934 WeakPolarHBondContact O-CB 3.39Å; E931-K934 PolarHBondContact O-N 3.35Å; E931-K934 IonicContact OE1-NZ 2.73Å; E931-K934 PolarHBondContact OE1-NZ 3.02Å; E931-K934 IonicContact OE2-NZ 3.96Å; E931-L935 WeakPolarHBondContact O-CG 3.09Å; E931-L935 PolarHBondContact O-N 2.84Å; E931-L972 HydrophobicContact CB-CD1 3.67Å; E931-L972 HydrophobicContact CB-CD2 4.14Å |
| 932 | I | 97.9 | Very high | 96 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 173.3 | -70.9 | 176.8 | 0 | 0 | 0 | 111 | R928 V929 K934 L935 V936 L969 L972 L973 I976 F1111 L1151 | R928-I932 WeakPolarHBondContact O-CG1 3.44Å; R928-I932 PolarHBondContact O-N 3.04Å; V929-I932 PolarHBondContact O-N 2.89Å; I932-K934 VanDerWaalsContact C-N 3.3Å; I932-K934 PolarHBondContact O-N 3.05Å; I932-L935 WeakPolarHBondContact O-CB 3.24Å; I932-L935 PolarHBondContact O-N 3.24Å; I932-L935 VanDerWaalsContact O-N 3.1Å; I932-V936 HydrophobicContact CG2-CG2 4.31Å; I932-V936 WeakPolarHBondContact O-CG2 3.47Å; I932-V936 PolarHBondContact O-N 3.39Å; I932-L969 HydrophobicContact CB-CD1 4.5Å; I932-L969 HydrophobicContact CD1-CD1 4.49Å; I932-L969 HydrophobicContact CG1-CD1 4.09Å; I932-L969 HydrophobicContact CG2-CD1 3.93Å; I932-L972 HydrophobicContact CD1-CB 3.98Å; I932-L972 HydrophobicContact CG1-CB 3.74Å; I932-L972 HydrophobicContact CG1-CD1 3.86Å; I932-L972 HydrophobicContact CG1-CG 4.44Å; I932-L973 HydrophobicContact CD1-CD2 3.84Å; I932-L973 HydrophobicContact CD1-CG 4.07Å; I932-I976 HydrophobicContact CD1-CD1 3.52Å; I932-F1111 HydrophobicContact CG2-CD2 3.63Å; I932-F1111 HydrophobicContact CG2-CE2 3.52Å; I932-L1151 HydrophobicContact CD1-CD1 4.47Å |
| 933 | N | 94.8 | Very high | 96 | Very high | 55 Ų | 55 | 49 Ų | 49 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60 | -41.5 | 179 | -162.1 | -57.4 | 0 | 0 | 0 | 111.3 | V929 D930 E931 L935 V936 R937 | V929-N933 WeakPolarHBondContact O-CB 3.43Å; V929-N933 PolarHBondContact O-N 3.31Å; D930-N933 WeakPolarHBondContact O-CB 3.43Å; D930-N933 PolarHBondContact O-N 3.37Å; E931-N933 VanDerWaalsContact C-N 3.3Å; E931-N933 PolarHBondContact O-N 3.48Å; N933-L935 PolarHBondContact O-N 3.36Å; N933-V936 PolarHBondContact O-N 3.39Å; N933-R937 WeakPolarHBondContact O-CG 3.24Å; N933-R937 PolarHBondContact O-N 3.17Å; N933-R937 WeakPolarHBondContact OD1-CD 3.44Å; N933-R937 PolarHBondContact OD1-NE 2.84Å |
| 934 | K | 96.1 | Very high | 95.9 | Very high | 117 Ų | 117 | 45.7 Ų | 45.7 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.4 | -44 | 173.2 | -65.8 | 170.6 | -169.9 | 171.2 | 0 | 111.7 | D930 E931 I932 V936 R937 Q938 | D930-K934 WeakPolarHBondContact O-CG 3.46Å; D930-K934 PolarHBondContact O-N 3.26Å; E931-K934 WeakPolarHBondContact O-CB 3.39Å; E931-K934 PolarHBondContact O-N 3.35Å; E931-K934 IonicContact OE1-NZ 2.73Å; E931-K934 PolarHBondContact OE1-NZ 3.02Å; E931-K934 IonicContact OE2-NZ 3.96Å; I932-K934 VanDerWaalsContact C-N 3.3Å; I932-K934 PolarHBondContact O-N 3.05Å; K934-V936 PolarHBondContact O-N 3.27Å; K934-R937 PolarHBondContact O-N 3.19Å; K934-Q938 WeakPolarHBondContact O-CB 3.3Å; K934-Q938 PolarHBondContact O-N 3.16Å |
| 935 | L | 98 | Very high | 95.8 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 178.4 | -64.5 | -176.5 | 0 | 0 | 0 | 112.9 | E931 I932 N933 Q938 N939 N965 Q968 L969 L972 F1114 | E931-L935 WeakPolarHBondContact O-CG 3.09Å; E931-L935 PolarHBondContact O-N 2.84Å; I932-L935 WeakPolarHBondContact O-CB 3.24Å; I932-L935 PolarHBondContact O-N 3.24Å; I932-L935 VanDerWaalsContact O-N 3.1Å; N933-L935 PolarHBondContact O-N 3.36Å; L935-Q938 PolarHBondContact O-N 2.75Å; L935-N939 PolarHBondContact O-N 3.16Å; L935-N939 PolarHBondContact O-ND2 3.23Å; L935-N965 HydrophobicContact CD2-CB 3.66Å; L935-Q968 HydrophobicContact CD1-CB 4.17Å; L935-Q968 HydrophobicContact CD1-CG 3.99Å; L935-L969 HydrophobicContact CD1-CB 3.97Å; L935-L972 HydrophobicContact CD1-CD1 3.77Å; L935-F1114 HydrophobicContact CB-CE1 4.02Å |
| 936 | V | 97.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -45.1 | 176.2 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | I932 N933 K934 Q938 N939 R940 L943 I1107 L1110 F1111 F1114 | I932-V936 HydrophobicContact CG2-CG2 4.31Å; I932-V936 WeakPolarHBondContact O-CG2 3.47Å; I932-V936 PolarHBondContact O-N 3.39Å; N933-V936 PolarHBondContact O-N 3.39Å; K934-V936 PolarHBondContact O-N 3.27Å; V936-Q938 VanDerWaalsContact C-N 3.34Å; V936-Q938 PolarHBondContact O-N 2.95Å; V936-N939 CarbonylContact O-C 3.41Å; V936-N939 PolarHBondContact O-N 3.45Å; V936-R940 PolarHBondContact O-N 3.32Å; V936-R940 VanDerWaalsContact O-N 3.09Å; V936-L943 HydrophobicContact CG1-CD1 4.08Å; V936-I1107 HydrophobicContact CB-CG2 4.44Å; V936-I1107 HydrophobicContact CG1-CG2 3.88Å; V936-L1110 HydrophobicContact CG1-CB 3.82Å; V936-F1111 HydrophobicContact CG2-CB 3.95Å; V936-F1111 HydrophobicContact CG2-CD2 4.08Å; V936-F1114 HydrophobicContact CG2-CD1 3.99Å |
| 937 | R | 94.6 | Very high | 95.2 | Very high | 104 Ų | 104 | 49.1 Ų | 49.1 | 39% | 0.392 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64 | -38.6 | 177.6 | -71.2 | 177.3 | -174 | -94 | 2 | 112.2 | N933 K934 N939 R940 I1107 | N933-R937 WeakPolarHBondContact O-CG 3.24Å; N933-R937 PolarHBondContact O-N 3.17Å; N933-R937 WeakPolarHBondContact OD1-CD 3.44Å; N933-R937 PolarHBondContact OD1-NE 2.84Å; K934-R937 PolarHBondContact O-N 3.19Å; R937-N939 VanDerWaalsContact C-N 3.27Å; R937-N939 PolarHBondContact O-N 3.32Å; R937-R940 VanDerWaalsContact O-CB 3.32Å; R937-R940 WeakPolarHBondContact O-CB 3.45Å; R937-R940 PolarHBondContact O-N 3.02Å; R937-I1107 HydrophobicContact CG-CD1 4.12Å; R937-I1107 VanDerWaalsContact NH1-CD1 3.28Å; R937-I1107 VanDerWaalsContact NH2-CD1 3.33Å |
| 938 | Q | 96.2 | Very high | 94.6 | Very high | 93 Ų | 93 | 52.7 Ų | 52.7 | 44% | 0.435 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.4 | -38.5 | 175 | -178.6 | -176.4 | 2.6 | 0 | 0 | 112 | K934 L935 V936 N965 | K934-Q938 WeakPolarHBondContact O-CB 3.3Å; K934-Q938 PolarHBondContact O-N 3.16Å; L935-Q938 PolarHBondContact O-N 2.75Å; V936-Q938 VanDerWaalsContact C-N 3.34Å; V936-Q938 PolarHBondContact O-N 2.95Å; Q938-N965 PolarHBondContact NE2-ND2 2.97Å; Q938-N965 PolarHBondContact OE1-ND2 2.9Å |
| 939 | N | 96.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 10 | -178.1 | -73.6 | -81.7 | 0 | 0 | 0 | 113.9 | L935 V936 R937 G941 T942 L943 L963 Q964 F1114 | L935-N939 PolarHBondContact O-N 3.16Å; L935-N939 PolarHBondContact O-ND2 3.23Å; V936-N939 CarbonylContact O-C 3.41Å; V936-N939 PolarHBondContact O-N 3.45Å; R937-N939 VanDerWaalsContact C-N 3.27Å; R937-N939 PolarHBondContact O-N 3.32Å; N939-G941 PolarHBondContact O-N 3.36Å; N939-T942 PolarHBondContact O-N 3.13Å; N939-T942 VanDerWaalsContact O-N 3.12Å; N939-L943 HydrophobicContact CB-CD1 3.75Å; N939-L943 HydrophobicContact CB-CG 3.95Å; N939-L943 VanDerWaalsContact O-CG 3.31Å; N939-L943 WeakPolarHBondContact O-CG 3.46Å; N939-L943 PolarHBondContact O-N 3.01Å; N939-L963 HydrophobicContact CB-CD2 4.15Å; N939-Q964 PolarHBondContact ND2-O 3.35Å; N939-Q964 PolarHBondContact OD1-N 3.47Å; N939-F1114 HydrophobicContact CB-CE1 4.31Å; N939-F1114 HydrophobicContact CB-CZ 4.4Å; N939-F1114 WeakPolarHBondContact ND2-CZ 3.35Å |
| 940 | R | 94.5 | Very high | 92.4 | Very high | 103 Ų | 103 | 52.6 Ų | 52.6 | 39% | 0.389 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -48.4 | -54.3 | -168.4 | 177.9 | 179.7 | 174.8 | -178.5 | 1.3 | 113.7 | V936 R937 T942 L943 E944 L1110 | V936-R940 PolarHBondContact O-N 3.32Å; V936-R940 VanDerWaalsContact O-N 3.09Å; R937-R940 VanDerWaalsContact O-CB 3.32Å; R937-R940 WeakPolarHBondContact O-CB 3.45Å; R937-R940 PolarHBondContact O-N 3.02Å; R940-T942 PolarHBondContact O-N 3.39Å; R940-L943 PolarHBondContact O-N 3.31Å; R940-E944 HydrophobicContact CG-CG 4.41Å; R940-E944 WeakPolarHBondContact CG-OE1 3.41Å; R940-E944 IonicContact CZ-OE1 3.29Å; R940-E944 IonicContact NE-OE1 3.85Å; R940-E944 PolarHBondContact NE-OE1 2.98Å; R940-E944 IonicContact NH2-OE1 2.8Å; R940-E944 PolarHBondContact NH2-OE1 3.35Å; R940-E944 WeakPolarHBondContact O-CG 3.34Å; R940-E944 PolarHBondContact O-N 3.26Å; R940-L1110 HydrophobicContact CB-CD1 4.37Å; R940-L1110 HydrophobicContact CG-CD1 3.72Å |
| 941 | G | 92.9 | Very high | 91.3 | Very high | 43 Ų | 43 | 57.5 Ų | 57.5 | 44% | 0.443 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N939 E944 C945 | N939-G941 PolarHBondContact O-N 3.36Å; G941-E944 PolarHBondContact O-N 3.48Å; G941-C945 PolarHBondContact O-N 3.39Å; G941-C945 PolarHBondContact O-SG 3.19Å |
| 942 | T | 94 | Very high | 90.6 | Very high | 31 Ų | 31 | 56.8 Ų | 56.8 | 19% | 0.19 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 175.4 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | N939 R940 C945 L946 L959 N962 L963 | N939-T942 PolarHBondContact O-N 3.13Å; N939-T942 VanDerWaalsContact O-N 3.12Å; R940-T942 PolarHBondContact O-N 3.39Å; T942-C945 PolarHBondContact O-N 3.33Å; T942-L946 HydrophobicContact CG2-CD1 4.12Å; T942-L946 WeakPolarHBondContact O-CB 3.38Å; T942-L946 WeakPolarHBondContact O-CG 3.43Å; T942-L946 PolarHBondContact O-N 3.16Å; T942-L959 HydrophobicContact CG2-CB 4.48Å; T942-L959 WeakPolarHBondContact CG2-O 3.24Å; T942-N962 HydrophobicContact CG2-CB 3.97Å; T942-L963 HydrophobicContact CG2-CD2 3.79Å; T942-L963 HydrophobicContact CG2-CG 4.22Å |
| 943 | L | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.6 | -37.2 | 179.5 | -66.7 | 170.3 | 0 | 0 | 0 | 112.2 | V936 N939 R940 L946 R947 L963 L1110 V1113 F1114 | V936-L943 HydrophobicContact CG1-CD1 4.08Å; N939-L943 HydrophobicContact CB-CD1 3.75Å; N939-L943 HydrophobicContact CB-CG 3.95Å; N939-L943 VanDerWaalsContact O-CG 3.31Å; N939-L943 WeakPolarHBondContact O-CG 3.46Å; N939-L943 PolarHBondContact O-N 3.01Å; R940-L943 PolarHBondContact O-N 3.31Å; L943-L946 HydrophobicContact CD2-CD1 4.29Å; L943-L946 PolarHBondContact O-N 3.43Å; L943-R947 WeakPolarHBondContact O-CB 3.37Å; L943-R947 PolarHBondContact O-N 2.7Å; L943-L963 HydrophobicContact CD2-CD2 3.67Å; L943-L963 HydrophobicContact CG-CD2 4.11Å; L943-L1110 HydrophobicContact CB-CB 4.09Å; L943-L1110 HydrophobicContact CB-CD1 4.39Å; L943-L1110 HydrophobicContact CB-CD2 3.87Å; L943-L1110 HydrophobicContact CB-CG 4.33Å; L943-L1110 HydrophobicContact CD1-CB 4.13Å; L943-V1113 HydrophobicContact CD2-CG1 4.22Å; L943-F1114 HydrophobicContact CD1-CB 3.85Å; L943-F1114 HydrophobicContact CD1-CD1 3.91Å; L943-F1114 HydrophobicContact CD1-CG 3.94Å; L943-F1114 VanDerWaalsContact CD2-CA 3.46Å; L943-F1114 HydrophobicContact CD2-CB 3.5Å; L943-F1114 HydrophobicContact CD2-CD2 3.97Å; L943-F1114 HydrophobicContact CD2-CG 3.77Å; L943-F1114 HydrophobicContact CG-CB 4.35Å; L943-F1114 HydrophobicContact CG-CG 4.46Å |
| 944 | E | 93.9 | Very high | 88.7 | Confident | 58 Ų | 58 | 61.4 Ų | 61.4 | 27% | 0.271 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 173.2 | -75.4 | 169.6 | 169 | 0 | 0 | 110.4 | R940 G941 L946 R947 E948 H1106 L1110 | R940-E944 HydrophobicContact CG-CG 4.41Å; R940-E944 WeakPolarHBondContact CG-OE1 3.41Å; R940-E944 IonicContact CZ-OE1 3.29Å; R940-E944 IonicContact NE-OE1 3.85Å; R940-E944 PolarHBondContact NE-OE1 2.98Å; R940-E944 IonicContact NH2-OE1 2.8Å; R940-E944 PolarHBondContact NH2-OE1 3.35Å; R940-E944 WeakPolarHBondContact O-CG 3.34Å; R940-E944 PolarHBondContact O-N 3.26Å; G941-E944 PolarHBondContact O-N 3.48Å; E944-L946 PolarHBondContact O-N 2.85Å; E944-R947 PolarHBondContact O-N 2.91Å; E944-E948 PolarHBondContact O-N 3.35Å; E944-H1106 WeakPolarHBondContact CG-NE2 3.15Å; E944-H1106 IonicContact OE1-CD2 3.25Å; E944-H1106 IonicContact OE1-CE1 3.49Å; E944-H1106 IonicContact OE1-NE2 3.47Å; E944-H1106 PolarHBondContact OE1-NE2 3Å; E944-L1110 HydrophobicContact CG-CD1 3.95Å; E944-L1110 HydrophobicContact CG-CD2 3.9Å |
| 945 | C | 92.9 | Very high | 88.1 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 175.4 | -63.9 | 0 | 0 | 0 | 0 | 112.8 | G941 T942 R947 E948 C949 L959 | G941-C945 PolarHBondContact O-N 3.39Å; G941-C945 PolarHBondContact O-SG 3.19Å; T942-C945 PolarHBondContact O-N 3.33Å; C945-R947 VanDerWaalsContact C-N 3.28Å; C945-R947 PolarHBondContact O-N 2.9Å; C945-E948 PolarHBondContact O-N 3.46Å; C945-C949 WeakPolarHBondContact O-CB 3.49Å; C945-C949 PolarHBondContact O-N 3.16Å; C945-C949 PolarHBondContact O-SG 2.81Å; C945-L959 HydrophobicContact CB-CD1 3.69Å; C945-L959 HydrophobicContact CB-CD2 4.18Å |
| 946 | L | 90.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -37 | 178.2 | -81.3 | 167.6 | 0 | 0 | 0 | 112.1 | T942 L943 E944 E948 C949 T956 L959 L963 V1113 | T942-L946 HydrophobicContact CG2-CD1 4.12Å; T942-L946 WeakPolarHBondContact O-CB 3.38Å; T942-L946 WeakPolarHBondContact O-CG 3.43Å; T942-L946 PolarHBondContact O-N 3.16Å; L943-L946 HydrophobicContact CD2-CD1 4.29Å; L943-L946 PolarHBondContact O-N 3.43Å; E944-L946 PolarHBondContact O-N 2.85Å; L946-E948 VanDerWaalsContact C-N 3.3Å; L946-E948 PolarHBondContact O-N 3.21Å; L946-C949 PolarHBondContact O-N 3.23Å; L946-T956 HydrophobicContact CD2-CG2 3.81Å; L946-L959 HydrophobicContact CD2-CB 3.51Å; L946-L959 HydrophobicContact CD2-CD1 4.21Å; L946-L959 HydrophobicContact CG-CB 3.8Å; L946-L959 HydrophobicContact CG-CD1 4.27Å; L946-L963 HydrophobicContact CD1-CD1 3.77Å; L946-L963 HydrophobicContact CD1-CD2 3.85Å; L946-L963 HydrophobicContact CD1-CG 3.9Å; L946-V1113 HydrophobicContact CB-CG1 3.88Å |
| 947 | R | 89.9 | Confident | 86.6 | Confident | 51 Ų | 51 | 69.1 Ų | 69.1 | 19% | 0.192 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.2 | -33.5 | 178.1 | -165.8 | 178.2 | -174.2 | -168.2 | 4.7 | 112.6 | L943 E944 C945 I950 C1109 V1113 E1170 | L943-R947 WeakPolarHBondContact O-CB 3.37Å; L943-R947 PolarHBondContact O-N 2.7Å; E944-R947 PolarHBondContact O-N 2.91Å; C945-R947 VanDerWaalsContact C-N 3.28Å; C945-R947 PolarHBondContact O-N 2.9Å; R947-I950 VanDerWaalsContact O-CG1 3.22Å; R947-I950 WeakPolarHBondContact O-CG1 3.45Å; R947-C1109 PolarHBondContact NH2-SG 2.97Å; R947-C1109 VanDerWaalsContact NH2-SG 3.41Å; R947-V1113 HydrophobicContact CB-CG1 4.43Å; R947-V1113 HydrophobicContact CB-CG2 3.91Å; R947-V1113 HydrophobicContact CG-CG2 3.77Å; R947-E1170 IonicContact CZ-OE1 3.45Å; R947-E1170 IonicContact NE-OE1 3.74Å; R947-E1170 PolarHBondContact NE-OE1 2.89Å; R947-E1170 IonicContact NH2-OE1 3.19Å; R947-E1170 PolarHBondContact NH2-OE1 3.16Å; R947-E1170 IonicContact NH2-OE2 3.1Å; R947-E1170 PolarHBondContact NH2-OE2 2.88Å; R947-E1170 VanDerWaalsContact NH2-OE2 3.1Å |
| 948 | E | 86.2 | Confident | 86.1 | Confident | 170 Ų | 170 | 70.5 Ų | 70.5 | 79% | 0.794 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -79.5 | -22.3 | 176.5 | -65.7 | 178.8 | 176.6 | 0 | 0 | 112.9 | E944 C945 L946 I950 | E944-E948 PolarHBondContact O-N 3.35Å; C945-E948 PolarHBondContact O-N 3.46Å; L946-E948 VanDerWaalsContact C-N 3.3Å; L946-E948 PolarHBondContact O-N 3.21Å; E948-I950 PolarHBondContact O-N 3.15Å |
| 949 | C | 78.2 | Confident | 85.7 | Confident | 8 Ų | 8 | 67.4 Ų | 67.4 | 5% | 0.054 | 34% | 0.338 | C | S | . | . | trans | -95.1 | 23.2 | -171.1 | -64.5 | 0 | 0 | 0 | 0 | 115 | C945 L946 N951 D952 R955 T956 | C945-C949 WeakPolarHBondContact O-CB 3.49Å; C945-C949 PolarHBondContact O-N 3.16Å; C945-C949 PolarHBondContact O-SG 2.81Å; L946-C949 PolarHBondContact O-N 3.23Å; C949-N951 PolarHBondContact O-N 2.65Å; C949-N951 VanDerWaalsContact O-N 3.09Å; C949-D952 PolarHBondContact O-N 3.28Å; C949-R955 VanDerWaalsContact SG-CD 3.53Å; C949-T956 PolarHBondContact O-OG1 3.31Å; C949-T956 VanDerWaalsContact O-OG1 3.06Å | ||
| 950 | I | 69.7 | Low | 85.1 | Confident | 55 Ų | 55 | 69 Ų | 69 | 28% | 0.282 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -39.6 | -174.3 | -51.2 | -170.6 | 0 | 0 | 0 | 112.3 | R947 E948 L1174 R1181 | R947-I950 VanDerWaalsContact O-CG1 3.22Å; R947-I950 WeakPolarHBondContact O-CG1 3.45Å; E948-I950 PolarHBondContact O-N 3.15Å; I950-L1174 HydrophobicContact CB-CD2 4.38Å; I950-L1174 HydrophobicContact CD1-CD2 3.82Å; I950-L1174 HydrophobicContact CD1-CG 4.37Å; I950-L1174 HydrophobicContact CG1-CD2 3.72Å; I950-L1174 HydrophobicContact CG2-CD2 4.1Å; I950-R1181 PolarHBondContact O-NH2 3.17Å |
| 951 | N | 72.4 | Confident | 84.6 | Confident | 158 Ų | 158 | 66.9 Ų | 66.9 | 85% | 0.845 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 1.2 | -176.5 | -62.6 | -24.7 | 0 | 0 | 0 | 114.3 | C949 P953 | C949-N951 PolarHBondContact O-N 2.65Å; C949-N951 VanDerWaalsContact O-N 3.09Å; N951-P953 WeakPolarHBondContact O-CD 3.49Å |
| 952 | D | 81.7 | Confident | 84.6 | Confident | 64 Ų | 64 | 69.5 Ų | 69.5 | 34% | 0.342 | 36% | 0.361 | S | S | . | . | trans | -112.4 | 93.3 | 179.2 | -173 | -20.2 | 0 | 0 | 0 | 110.7 | C949 V954 R955 T956 | C949-D952 PolarHBondContact O-N 3.28Å; D952-V954 VanDerWaalsContact C-N 3.32Å; D952-V954 PolarHBondContact O-N 3.46Å; D952-V954 PolarHBondContact OD1-N 2.97Å; D952-R955 HydrophobicContact CB-CB 3.97Å; D952-R955 WeakPolarHBondContact OD1-CB 3.19Å; D952-R955 PolarHBondContact OD1-N 3.09Å; D952-R955 WeakPolarHBondContact OD2-CB 3.49Å; D952-T956 WeakPolarHBondContact O-CB 3.37Å; D952-T956 PolarHBondContact O-N 3.16Å; D952-T956 PolarHBondContact O-OG1 3.27Å | ||
| 953 | P | 73.3 | Confident | 84.5 | Confident | 67 Ų | 67 | 68.4 Ų | 68.4 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.4 | -30.5 | -176 | 26.5 | -33.6 | 0 | 0 | 0 | 113.6 | N951 R957 | N951-P953 WeakPolarHBondContact O-CD 3.49Å; P953-R957 WeakPolarHBondContact O-CB 3.33Å; P953-R957 PolarHBondContact O-N 2.89Å; P953-R957 VanDerWaalsContact O-N 3.11Å |
| 954 | V | 80 | Confident | 84.5 | Confident | 91 Ų | 91 | 73.6 Ų | 73.6 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -71 | -48.3 | -179.9 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | D952 R957 Q958 | D952-V954 VanDerWaalsContact C-N 3.32Å; D952-V954 PolarHBondContact O-N 3.46Å; D952-V954 PolarHBondContact OD1-N 2.97Å; V954-R957 PolarHBondContact O-N 2.91Å; V954-Q958 PolarHBondContact O-N 2.85Å; V954-Q958 VanDerWaalsContact O-N 3.15Å |
| 955 | R | 82.4 | Confident | 84.5 | Confident | 138 Ų | 138 | 74.6 Ų | 74.6 | 52% | 0.521 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 178.4 | -164.6 | 168.9 | -161.6 | -171.1 | 9.4 | 112.3 | C949 D952 R957 Q958 L959 | C949-R955 VanDerWaalsContact SG-CD 3.53Å; D952-R955 HydrophobicContact CB-CB 3.97Å; D952-R955 WeakPolarHBondContact OD1-CB 3.19Å; D952-R955 PolarHBondContact OD1-N 3.09Å; D952-R955 WeakPolarHBondContact OD2-CB 3.49Å; R955-R957 VanDerWaalsContact C-N 3.32Å; R955-R957 PolarHBondContact O-N 3.4Å; R955-Q958 PolarHBondContact O-N 3.48Å; R955-L959 HydrophobicContact CG-CD1 4.16Å; R955-L959 WeakPolarHBondContact O-CB 3.37Å; R955-L959 WeakPolarHBondContact O-CG 3.31Å; R955-L959 PolarHBondContact O-N 3.02Å |
| 956 | T | 83.6 | Confident | 84.6 | Confident | 6 Ų | 6 | 72 Ų | 72 | 4% | 0.037 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 173.7 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | L946 C949 D952 Q958 L959 N960 R1181 | L946-T956 HydrophobicContact CD2-CG2 3.81Å; C949-T956 PolarHBondContact O-OG1 3.31Å; C949-T956 VanDerWaalsContact O-OG1 3.06Å; D952-T956 WeakPolarHBondContact O-CB 3.37Å; D952-T956 PolarHBondContact O-N 3.16Å; D952-T956 PolarHBondContact O-OG1 3.27Å; T956-Q958 PolarHBondContact O-N 2.78Å; T956-L959 PolarHBondContact O-N 3.19Å; T956-N960 VanDerWaalsContact O-CB 3.25Å; T956-N960 WeakPolarHBondContact O-CB 3.45Å; T956-N960 PolarHBondContact O-N 3.31Å; T956-R1181 PolarHBondContact OG1-NH1 3.47Å; T956-R1181 VanDerWaalsContact OG1-NH1 3.16Å |
| 957 | R | 80.6 | Confident | 84.7 | Confident | 149 Ų | 149 | 75.8 Ų | 75.8 | 56% | 0.562 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.2 | -42.6 | 178.7 | -173.9 | -177.6 | -76.7 | 143.9 | -3.5 | 111.8 | P953 V954 R955 G961 E1185 | P953-R957 WeakPolarHBondContact O-CB 3.33Å; P953-R957 PolarHBondContact O-N 2.89Å; P953-R957 VanDerWaalsContact O-N 3.11Å; V954-R957 PolarHBondContact O-N 2.91Å; R955-R957 VanDerWaalsContact C-N 3.32Å; R955-R957 PolarHBondContact O-N 3.4Å; R957-G961 PolarHBondContact O-N 3.38Å; R957-E1185 IonicContact CZ-OE1 2.77Å; R957-E1185 VanDerWaalsContact CZ-OE1 3.26Å; R957-E1185 IonicContact NE-OE1 2.79Å; R957-E1185 PolarHBondContact NE-OE1 2.95Å; R957-E1185 IonicContact NH2-OE1 3.58Å; R957-E1185 PolarHBondContact NH2-OE1 3.48Å |
| 958 | Q | 83.9 | Confident | 85 | Confident | 134 Ų | 134 | 77.7 Ų | 77.7 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.9 | -48.9 | 176.1 | -70 | 174.4 | -7.5 | 0 | 0 | 111.7 | V954 R955 T956 N960 G961 | V954-Q958 PolarHBondContact O-N 2.85Å; V954-Q958 VanDerWaalsContact O-N 3.15Å; R955-Q958 PolarHBondContact O-N 3.48Å; T956-Q958 PolarHBondContact O-N 2.78Å; Q958-N960 PolarHBondContact O-N 2.89Å; Q958-G961 PolarHBondContact O-N 3.1Å |
| 959 | L | 87.1 | Confident | 85.6 | Confident | 27 Ų | 27 | 69.6 Ų | 69.6 | 14% | 0.141 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67 | -33.4 | 180 | -70.7 | 172.2 | 0 | 0 | 0 | 112.9 | T942 C945 L946 R955 T956 G961 N962 | T942-L959 HydrophobicContact CG2-CB 4.48Å; T942-L959 WeakPolarHBondContact CG2-O 3.24Å; C945-L959 HydrophobicContact CB-CD1 3.69Å; C945-L959 HydrophobicContact CB-CD2 4.18Å; L946-L959 HydrophobicContact CD2-CB 3.51Å; L946-L959 HydrophobicContact CD2-CD1 4.21Å; L946-L959 HydrophobicContact CG-CB 3.8Å; L946-L959 HydrophobicContact CG-CD1 4.27Å; R955-L959 HydrophobicContact CG-CD1 4.16Å; R955-L959 WeakPolarHBondContact O-CB 3.37Å; R955-L959 WeakPolarHBondContact O-CG 3.31Å; R955-L959 PolarHBondContact O-N 3.02Å; T956-L959 PolarHBondContact O-N 3.19Å; L959-G961 PolarHBondContact O-N 3.06Å; L959-N962 WeakPolarHBondContact O-CB 3.36Å; L959-N962 PolarHBondContact O-N 3.31Å |
| 960 | N | 85.2 | Confident | 86.4 | Confident | 36 Ų | 36 | 69.4 Ų | 69.4 | 19% | 0.193 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.5 | -28.2 | 176.4 | -165.5 | 5.9 | 0 | 0 | 0 | 112 | T956 Q958 N962 L963 N1117 R1121 | T956-N960 VanDerWaalsContact O-CB 3.25Å; T956-N960 WeakPolarHBondContact O-CB 3.45Å; T956-N960 PolarHBondContact O-N 3.31Å; Q958-N960 PolarHBondContact O-N 2.89Å; N960-N962 VanDerWaalsContact C-N 3.26Å; N960-N962 PolarHBondContact O-N 2.9Å; N960-L963 PolarHBondContact O-N 3.38Å; N960-N1117 PolarHBondContact ND2-O 2.84Å; N960-R1121 PolarHBondContact O-NH2 3.36Å |
| 961 | G | 84.5 | Confident | 87.7 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 62% | 0.619 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.6 | -25.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R957 Q958 L959 | R957-G961 PolarHBondContact O-N 3.38Å; Q958-G961 PolarHBondContact O-N 3.1Å; L959-G961 PolarHBondContact O-N 3.06Å |
| 962 | N | 91.5 | Very high | 89 | Confident | 97 Ų | 97 | 62.6 Ų | 62.6 | 52% | 0.519 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -8.4 | 179.8 | -64.4 | -15.5 | 0 | 0 | 0 | 113.4 | T942 L959 N960 Q964 | T942-N962 HydrophobicContact CG2-CB 3.97Å; L959-N962 WeakPolarHBondContact O-CB 3.36Å; L959-N962 PolarHBondContact O-N 3.31Å; N960-N962 VanDerWaalsContact C-N 3.26Å; N960-N962 PolarHBondContact O-N 2.9Å; N962-Q964 PolarHBondContact O-N 2.87Å |
| 963 | L | 93 | Very high | 89.8 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | trans | -70.4 | 123.7 | 177.3 | -70.7 | 177.3 | 0 | 0 | 0 | 110.8 | N939 T942 L943 L946 N960 C966 F1114 N1117 | N939-L963 HydrophobicContact CB-CD2 4.15Å; T942-L963 HydrophobicContact CG2-CD2 3.79Å; T942-L963 HydrophobicContact CG2-CG 4.22Å; L943-L963 HydrophobicContact CD2-CD2 3.67Å; L943-L963 HydrophobicContact CG-CD2 4.11Å; L946-L963 HydrophobicContact CD1-CD1 3.77Å; L946-L963 HydrophobicContact CD1-CD2 3.85Å; L946-L963 HydrophobicContact CD1-CG 3.9Å; N960-L963 PolarHBondContact O-N 3.38Å; L963-C966 WeakPolarHBondContact CB-SG 3.42Å; L963-F1114 HydrophobicContact CB-CE2 4.31Å; L963-F1114 HydrophobicContact CD1-CD2 4.12Å; L963-F1114 HydrophobicContact CD1-CE2 4.21Å; L963-F1114 HydrophobicContact CD2-CD2 4.19Å; L963-F1114 HydrophobicContact CD2-CE2 4.11Å; L963-F1114 HydrophobicContact CG-CE2 4.47Å; L963-N1117 HydrophobicContact CD1-CB 3.75Å | ||
| 964 | Q | 94.2 | Very high | 90.9 | Very high | 108 Ų | 108 | 57.2 Ų | 57.2 | 51% | 0.505 | 29% | 0.29 | S | S | . | . | trans | -94.3 | 148.4 | 179.7 | -60 | 178.7 | 2.9 | 0 | 0 | 110.7 | N939 N962 C966 F1114 | N939-Q964 PolarHBondContact ND2-O 3.35Å; N939-Q964 PolarHBondContact OD1-N 3.47Å; N962-Q964 PolarHBondContact O-N 2.87Å; Q964-C966 VanDerWaalsContact C-N 3.26Å; Q964-C966 PolarHBondContact O-N 3.47Å; Q964-F1114 WeakPolarHBondContact O-CZ 3.44Å | ||
| 965 | N | 94.9 | Very high | 91.8 | Very high | 80 Ų | 80 | 53.8 Ų | 53.8 | 43% | 0.428 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 58.4 | 29.3 | 171.6 | -62.9 | -26.7 | 0 | 0 | 0 | 115.1 | L935 Q938 D967 Q968 L969 | L935-N965 HydrophobicContact CD2-CB 3.66Å; Q938-N965 PolarHBondContact NE2-ND2 2.97Å; Q938-N965 PolarHBondContact OE1-ND2 2.9Å; N965-D967 VanDerWaalsContact C-N 3.3Å; N965-D967 PolarHBondContact O-N 3.22Å; N965-Q968 HydrophobicContact CB-CB 4.26Å; N965-Q968 WeakPolarHBondContact O-CB 3.36Å; N965-Q968 PolarHBondContact O-N 2.72Å; N965-L969 PolarHBondContact O-N 2.73Å |
| 966 | C | 93.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -37.1 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 112.8 | L963 Q964 Q968 L969 L970 A1118 R1121 | L963-C966 WeakPolarHBondContact CB-SG 3.42Å; Q964-C966 VanDerWaalsContact C-N 3.26Å; Q964-C966 PolarHBondContact O-N 3.47Å; C966-Q968 VanDerWaalsContact C-N 3.34Å; C966-L969 WeakPolarHBondContact O-CB 3.18Å; C966-L969 PolarHBondContact O-N 3.15Å; C966-L970 WeakPolarHBondContact O-CG 3.43Å; C966-L970 PolarHBondContact O-N 3Å; C966-A1118 HydrophobicContact CB-CB 4.11Å; C966-R1121 PolarHBondContact SG-NH1 2.91Å; C966-R1121 PolarHBondContact SG-NH2 3.03Å; C966-R1121 VanDerWaalsContact SG-NH2 3.42Å |
| 967 | D | 93 | Very high | 93.3 | Very high | 82 Ų | 82 | 47 Ų | 47 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.9 | -38.9 | 179.6 | -56.7 | -50.2 | 0 | 0 | 0 | 110.7 | N965 L969 L970 I971 | N965-D967 VanDerWaalsContact C-N 3.3Å; N965-D967 PolarHBondContact O-N 3.22Å; D967-L969 PolarHBondContact O-N 3.46Å; D967-L970 PolarHBondContact O-N 2.81Å; D967-I971 VanDerWaalsContact O-CG1 3.28Å; D967-I971 WeakPolarHBondContact O-CG1 3.27Å; D967-I971 PolarHBondContact O-N 3.13Å |
| 968 | Q | 96.3 | Very high | 94.1 | Very high | 92 Ų | 92 | 39.9 Ų | 39.9 | 43% | 0.43 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 172.1 | -173.1 | 65.1 | 22 | 0 | 0 | 111.6 | L935 N965 C966 L970 I971 L972 | L935-Q968 HydrophobicContact CD1-CB 4.17Å; L935-Q968 HydrophobicContact CD1-CG 3.99Å; N965-Q968 HydrophobicContact CB-CB 4.26Å; N965-Q968 WeakPolarHBondContact O-CB 3.36Å; N965-Q968 PolarHBondContact O-N 2.72Å; C966-Q968 VanDerWaalsContact C-N 3.34Å; Q968-L970 VanDerWaalsContact C-N 3.33Å; Q968-L970 PolarHBondContact O-N 3.43Å; Q968-I971 PolarHBondContact O-N 2.86Å; Q968-L972 HydrophobicContact CG-CD1 4.17Å; Q968-L972 VanDerWaalsContact O-CG 3.27Å; Q968-L972 WeakPolarHBondContact O-CG 3.28Å; Q968-L972 PolarHBondContact O-N 3.13Å |
| 969 | L | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.7 | -46.4 | 174.1 | 173.5 | 69.6 | 0 | 0 | 0 | 111.2 | I932 L935 N965 C966 D967 L972 L973 F1114 A1118 | I932-L969 HydrophobicContact CB-CD1 4.5Å; I932-L969 HydrophobicContact CD1-CD1 4.49Å; I932-L969 HydrophobicContact CG1-CD1 4.09Å; I932-L969 HydrophobicContact CG2-CD1 3.93Å; L935-L969 HydrophobicContact CD1-CB 3.97Å; N965-L969 PolarHBondContact O-N 2.73Å; C966-L969 WeakPolarHBondContact O-CB 3.18Å; C966-L969 PolarHBondContact O-N 3.15Å; D967-L969 PolarHBondContact O-N 3.46Å; L969-L972 PolarHBondContact O-N 3.25Å; L969-L973 HydrophobicContact CD1-CD1 4.03Å; L969-L973 HydrophobicContact CD1-CG 4.33Å; L969-L973 HydrophobicContact CG-CD1 3.89Å; L969-L973 WeakPolarHBondContact O-CB 3.4Å; L969-L973 VanDerWaalsContact O-CG 3.28Å; L969-L973 WeakPolarHBondContact O-CG 3.47Å; L969-L973 PolarHBondContact O-N 3.26Å; L969-F1114 HydrophobicContact CB-CZ 4.5Å; L969-F1114 HydrophobicContact CD2-CB 4.21Å; L969-F1114 HydrophobicContact CD2-CD1 3.7Å; L969-F1114 HydrophobicContact CD2-CD2 3.66Å; L969-F1114 HydrophobicContact CD2-CE1 3.9Å; L969-F1114 HydrophobicContact CD2-CE2 3.85Å; L969-F1114 HydrophobicContact CD2-CG 3.56Å; L969-F1114 HydrophobicContact CD2-CZ 3.96Å; L969-A1118 HydrophobicContact CD2-CB 4.05Å |
| 970 | L | 96.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.1 | -38 | 179.8 | -67.7 | 171.5 | 0 | 0 | 0 | 112.1 | C966 D967 Q968 K974 A1118 R1121 L1122 I1144 | C966-L970 WeakPolarHBondContact O-CG 3.43Å; C966-L970 PolarHBondContact O-N 3Å; D967-L970 PolarHBondContact O-N 2.81Å; Q968-L970 VanDerWaalsContact C-N 3.33Å; Q968-L970 PolarHBondContact O-N 3.43Å; L970-K974 WeakPolarHBondContact O-CB 3.49Å; L970-K974 PolarHBondContact O-N 3.48Å; L970-A1118 HydrophobicContact CD2-CB 4.31Å; L970-A1118 HydrophobicContact CG-CB 4.38Å; L970-R1121 HydrophobicContact CD1-CB 4.16Å; L970-L1122 HydrophobicContact CB-CD2 4.33Å; L970-L1122 HydrophobicContact CD1-CD2 3.91Å; L970-L1122 HydrophobicContact CD1-CG 4.09Å; L970-L1122 HydrophobicContact CD2-CD1 4.35Å; L970-L1122 HydrophobicContact CD2-CD2 4.19Å; L970-L1122 HydrophobicContact CD2-CG 4.15Å; L970-L1122 HydrophobicContact CG-CD2 4.37Å; L970-I1144 HydrophobicContact CD2-CD1 4.44Å |
| 971 | I | 97 | Very high | 95.8 | Very high | 65 Ų | 65 | 31.1 Ų | 31.1 | 33% | 0.333 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.7 | -50.5 | 173.1 | -69.6 | 164.2 | 0 | 0 | 0 | 110.2 | D967 Q968 L973 K974 E975 | D967-I971 VanDerWaalsContact O-CG1 3.28Å; D967-I971 WeakPolarHBondContact O-CG1 3.27Å; D967-I971 PolarHBondContact O-N 3.13Å; Q968-I971 PolarHBondContact O-N 2.86Å; I971-L973 VanDerWaalsContact C-N 3.32Å; I971-L973 PolarHBondContact O-N 3.01Å; I971-K974 WeakPolarHBondContact O-CB 3.35Å; I971-K974 PolarHBondContact O-N 3.02Å; I971-K974 VanDerWaalsContact O-N 3.11Å; I971-E975 HydrophobicContact CG2-CG 4.35Å; I971-E975 VanDerWaalsContact O-CG 3.31Å; I971-E975 WeakPolarHBondContact O-CG 3.26Å; I971-E975 PolarHBondContact O-N 2.93Å |
| 972 | L | 98.5 | Very high | 96.4 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.6 | -41.8 | 179.7 | -68.9 | 169.4 | 0 | 0 | 0 | 111.9 | R928 E931 I932 L935 Q968 L969 E975 I976 | R928-L972 HydrophobicContact CB-CD2 4.05Å; R928-L972 HydrophobicContact CG-CD2 4.07Å; E931-L972 HydrophobicContact CB-CD1 3.67Å; E931-L972 HydrophobicContact CB-CD2 4.14Å; I932-L972 HydrophobicContact CD1-CB 3.98Å; I932-L972 HydrophobicContact CG1-CB 3.74Å; I932-L972 HydrophobicContact CG1-CD1 3.86Å; I932-L972 HydrophobicContact CG1-CG 4.44Å; L935-L972 HydrophobicContact CD1-CD1 3.77Å; Q968-L972 HydrophobicContact CG-CD1 4.17Å; Q968-L972 VanDerWaalsContact O-CG 3.27Å; Q968-L972 WeakPolarHBondContact O-CG 3.28Å; Q968-L972 PolarHBondContact O-N 3.13Å; L969-L972 PolarHBondContact O-N 3.25Å; L972-E975 PolarHBondContact O-N 3.19Å; L972-I976 VanDerWaalsContact O-CG1 3.28Å; L972-I976 WeakPolarHBondContact O-CG1 3.46Å; L972-I976 PolarHBondContact O-N 3.15Å |
| 973 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.9 | -39.6 | 175.1 | -72.5 | 166.2 | 0 | 0 | 0 | 112.1 | I932 L969 I971 G977 F1111 I1115 I1144 A1147 L1151 | I932-L973 HydrophobicContact CD1-CD2 3.84Å; I932-L973 HydrophobicContact CD1-CG 4.07Å; L969-L973 HydrophobicContact CD1-CD1 4.03Å; L969-L973 HydrophobicContact CD1-CG 4.33Å; L969-L973 HydrophobicContact CG-CD1 3.89Å; L969-L973 WeakPolarHBondContact O-CB 3.4Å; L969-L973 VanDerWaalsContact O-CG 3.28Å; L969-L973 WeakPolarHBondContact O-CG 3.47Å; L969-L973 PolarHBondContact O-N 3.26Å; I971-L973 VanDerWaalsContact C-N 3.32Å; I971-L973 PolarHBondContact O-N 3.01Å; L973-G977 PolarHBondContact O-N 3.46Å; L973-F1111 HydrophobicContact CD2-CE2 4.24Å; L973-F1111 HydrophobicContact CD2-CZ 4.22Å; L973-I1115 HydrophobicContact CD1-CD1 4.32Å; L973-I1115 HydrophobicContact CD1-CG1 3.85Å; L973-I1115 HydrophobicContact CD1-CG2 4.46Å; L973-I1115 HydrophobicContact CD2-CD1 4.39Å; L973-I1144 HydrophobicContact CB-CG1 4.22Å; L973-I1144 HydrophobicContact CB-CG2 4.12Å; L973-A1147 HydrophobicContact CD2-CB 4.14Å; L973-A1147 WeakPolarHBondContact O-CB 3.36Å; L973-L1151 HydrophobicContact CD2-CD1 4.03Å |
| 974 | K | 97.5 | Very high | 96.7 | Very high | 19 Ų | 19 | 27.9 Ų | 27.9 | 8% | 0.083 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.3 | -48.9 | 174.4 | 179.3 | -166 | 68.6 | 165.8 | 0 | 110.2 | Y867 D869 L970 I971 I976 G977 V978 N1139 N1140 I1144 | Y867-K974 PolarHBondContact O-NZ 3.47Å; D869-K974 IonicContact OD1-NZ 3.81Å; D869-K974 PolarHBondContact OD1-NZ 3.42Å; D869-K974 IonicContact OD2-NZ 2.86Å; D869-K974 PolarHBondContact OD2-NZ 2.79Å; L970-K974 WeakPolarHBondContact O-CB 3.49Å; L970-K974 PolarHBondContact O-N 3.48Å; I971-K974 WeakPolarHBondContact O-CB 3.35Å; I971-K974 PolarHBondContact O-N 3.02Å; I971-K974 VanDerWaalsContact O-N 3.11Å; K974-I976 PolarHBondContact O-N 3.04Å; K974-G977 CarbonylContact O-C 3.43Å; K974-G977 WeakPolarHBondContact O-CA 3.2Å; K974-G977 PolarHBondContact O-N 3.47Å; K974-G977 VanDerWaalsContact O-N 3.11Å; K974-V978 HydrophobicContact CG-CG2 4.4Å; K974-V978 WeakPolarHBondContact O-CG2 3.47Å; K974-V978 PolarHBondContact O-N 3.48Å; K974-N1139 WeakPolarHBondContact CD-O 3.41Å; K974-N1140 HydrophobicContact CD-CB 4.23Å; K974-N1140 HydrophobicContact CG-CB 4.12Å; K974-I1144 HydrophobicContact CB-CD1 4.42Å; K974-I1144 HydrophobicContact CB-CG1 4.12Å |
| 975 | E | 98.4 | Very high | 96.9 | Very high | 18 Ų | 18 | 22.7 Ų | 22.7 | 8% | 0.084 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.5 | -41.5 | -178.2 | -66.2 | 176.8 | 121.6 | 0 | 0 | 112.4 | Y867 R928 I971 L972 G977 V978 A979 | Y867-E975 HydrophobicContact CD1-CB 3.84Å; Y867-E975 HydrophobicContact CD1-CG 3.72Å; Y867-E975 HydrophobicContact CD2-CG 4.25Å; Y867-E975 HydrophobicContact CE1-CB 3.72Å; Y867-E975 HydrophobicContact CE1-CG 4.14Å; Y867-E975 WeakPolarHBondContact CE1-O 3.34Å; Y867-E975 HydrophobicContact CE2-CB 4.46Å; Y867-E975 HydrophobicContact CG-CB 4.26Å; Y867-E975 HydrophobicContact CG-CG 3.77Å; Y867-E975 PolarHBondContact OH-O 3.44Å; R928-E975 IonicContact CZ-OE1 2.88Å; R928-E975 VanDerWaalsContact CZ-OE1 3.29Å; R928-E975 IonicContact CZ-OE2 3.22Å; R928-E975 IonicContact NE-OE2 3.47Å; R928-E975 VanDerWaalsContact NH1-CB 3.26Å; R928-E975 IonicContact NH1-OE1 3.11Å; R928-E975 PolarHBondContact NH1-OE1 2.92Å; R928-E975 VanDerWaalsContact NH1-OE1 3.15Å; R928-E975 IonicContact NH1-OE2 2.78Å; R928-E975 PolarHBondContact NH1-OE2 3.05Å; R928-E975 IonicContact NH2-OE1 3.35Å; R928-E975 PolarHBondContact NH2-OE1 2.86Å; R928-E975 IonicContact NH2-OE2 2.78Å; R928-E975 PolarHBondContact NH2-OE2 3.39Å; R928-E975 VanDerWaalsContact NH2-OE2 3.13Å; I971-E975 HydrophobicContact CG2-CG 4.35Å; I971-E975 VanDerWaalsContact O-CG 3.31Å; I971-E975 WeakPolarHBondContact O-CG 3.26Å; I971-E975 PolarHBondContact O-N 2.93Å; L972-E975 PolarHBondContact O-N 3.19Å; E975-G977 VanDerWaalsContact C-N 3.3Å; E975-G977 PolarHBondContact O-N 3.21Å; E975-V978 PolarHBondContact O-N 2.98Å; E975-A979 WeakPolarHBondContact O-CB 3.3Å; E975-A979 PolarHBondContact O-N 3.09Å |
| 976 | I | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 171.1 | -68.8 | 169.7 | 0 | 0 | 0 | 110 | V925 R928 V929 I932 L972 K974 A979 L980 A1147 L1151 | V925-I976 HydrophobicContact CG1-CG1 4.29Å; V925-I976 HydrophobicContact CG1-CG2 3.97Å; R928-I976 HydrophobicContact CB-CD1 3.84Å; R928-I976 HydrophobicContact CB-CG1 3.67Å; R928-I976 HydrophobicContact CG-CG1 4.43Å; V929-I976 HydrophobicContact CG2-CD1 3.74Å; I932-I976 HydrophobicContact CD1-CD1 3.52Å; L972-I976 VanDerWaalsContact O-CG1 3.28Å; L972-I976 WeakPolarHBondContact O-CG1 3.46Å; L972-I976 PolarHBondContact O-N 3.15Å; K974-I976 PolarHBondContact O-N 3.04Å; I976-A979 PolarHBondContact O-N 2.75Å; I976-L980 HydrophobicContact CG2-CD1 3.8Å; I976-L980 HydrophobicContact CG2-CG 4.31Å; I976-L980 VanDerWaalsContact O-CG 3.3Å; I976-L980 WeakPolarHBondContact O-CG 3.49Å; I976-L980 PolarHBondContact O-N 3.34Å; I976-A1147 HydrophobicContact CB-CB 3.95Å; I976-A1147 HydrophobicContact CG2-CB 3.65Å; I976-L1151 HydrophobicContact CD1-CD1 4.18Å |
| 977 | G | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L973 K974 E975 L980 A981 C1143 | L973-G977 PolarHBondContact O-N 3.46Å; K974-G977 CarbonylContact O-C 3.43Å; K974-G977 WeakPolarHBondContact O-CA 3.2Å; K974-G977 PolarHBondContact O-N 3.47Å; K974-G977 VanDerWaalsContact O-N 3.11Å; E975-G977 VanDerWaalsContact C-N 3.3Å; E975-G977 PolarHBondContact O-N 3.21Å; G977-L980 PolarHBondContact O-N 2.92Å; G977-A981 WeakPolarHBondContact O-CB 3.4Å; G977-A981 PolarHBondContact O-N 2.96Å; G977-C1143 WeakPolarHBondContact CA-O 3.25Å |
| 978 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 176.3 | 165 | 0 | 0 | 0 | 0 | 110.7 | A866 Y867 F880 K974 E975 A981 F982 N1140 C1143 | A866-V978 HydrophobicContact CB-CG1 3.65Å; Y867-V978 HydrophobicContact CD1-CB 4.15Å; Y867-V978 HydrophobicContact CD1-CG1 3.9Å; Y867-V978 HydrophobicContact CE1-CB 3.95Å; Y867-V978 HydrophobicContact CE1-CG1 3.78Å; F880-V978 HydrophobicContact CE1-CG1 3.98Å; F880-V978 HydrophobicContact CZ-CG1 4.25Å; K974-V978 HydrophobicContact CG-CG2 4.4Å; K974-V978 WeakPolarHBondContact O-CG2 3.47Å; K974-V978 PolarHBondContact O-N 3.48Å; E975-V978 PolarHBondContact O-N 2.98Å; V978-A981 PolarHBondContact O-N 2.78Å; V978-F982 PolarHBondContact O-N 3.35Å; V978-N1140 HydrophobicContact CG2-CB 3.78Å; V978-C1143 HydrophobicContact CG2-CB 4.06Å |
| 979 | A | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L921 V925 E975 I976 A981 F982 R983 | L921-A979 HydrophobicContact CD1-CB 3.67Å; L921-A979 HydrophobicContact CD2-CB 4.18Å; L921-A979 VanDerWaalsContact CD2-O 3.24Å; L921-A979 WeakPolarHBondContact CD2-O 3.42Å; L921-A979 HydrophobicContact CG-CB 3.85Å; V925-A979 HydrophobicContact CG2-CB 3.53Å; E975-A979 WeakPolarHBondContact O-CB 3.3Å; E975-A979 PolarHBondContact O-N 3.09Å; I976-A979 PolarHBondContact O-N 2.75Å; A979-A981 VanDerWaalsContact C-N 3.34Å; A979-A981 PolarHBondContact O-N 3.38Å; A979-F982 PolarHBondContact O-N 2.87Å; A979-R983 WeakPolarHBondContact O-CB 3.19Å; A979-R983 PolarHBondContact O-N 3.1Å |
| 980 | L | 96.7 | Very high | 97.4 | Very high | 13 Ų | 13 | 15 Ų | 15 | 7% | 0.068 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.6 | -36.3 | 178.1 | -68.9 | 173.1 | 0 | 0 | 0 | 112.4 | M922 I976 G977 R983 K984 T1150 | M922-L980 HydrophobicContact SD-CD2 4.1Å; I976-L980 HydrophobicContact CG2-CD1 3.8Å; I976-L980 HydrophobicContact CG2-CG 4.31Å; I976-L980 VanDerWaalsContact O-CG 3.3Å; I976-L980 WeakPolarHBondContact O-CG 3.49Å; I976-L980 PolarHBondContact O-N 3.34Å; G977-L980 PolarHBondContact O-N 2.92Å; L980-R983 PolarHBondContact O-N 2.91Å; L980-K984 WeakPolarHBondContact O-CB 3.48Å; L980-K984 PolarHBondContact O-N 3.15Å; L980-T1150 HydrophobicContact CD1-CG2 3.96Å; L980-T1150 HydrophobicContact CD2-CG2 4.35Å |
| 981 | A | 96.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y873 G977 V978 A979 K984 L985 Y1146 | Y873-A981 HydrophobicContact CD1-CB 3.56Å; Y873-A981 HydrophobicContact CD2-CB 4.3Å; Y873-A981 HydrophobicContact CE1-CB 3.69Å; Y873-A981 HydrophobicContact CE2-CB 4.43Å; Y873-A981 HydrophobicContact CG-CB 3.87Å; G977-A981 WeakPolarHBondContact O-CB 3.4Å; G977-A981 PolarHBondContact O-N 2.96Å; V978-A981 PolarHBondContact O-N 2.78Å; A979-A981 VanDerWaalsContact C-N 3.34Å; A979-A981 PolarHBondContact O-N 3.38Å; A981-K984 WeakPolarHBondContact O-CB 3.46Å; A981-K984 PolarHBondContact O-N 3.32Å; A981-L985 PolarHBondContact O-N 2.97Å; A981-L985 VanDerWaalsContact O-N 3.16Å; A981-Y1146 HydrophobicContact CB-CD2 4.38Å; A981-Y1146 HydrophobicContact CB-CE2 4.35Å |
| 982 | F | 97.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 173.5 | -178.2 | -104.9 | 0 | 0 | 0 | 111.8 | Y858 I863 F880 A897 L902 I917 L921 V978 A979 K984 L985 C986 | Y858-F982 AromaticContact CD1-CE2 3.8Å; Y858-F982 HydrophobicContact CD1-CE2 3.8Å; Y858-F982 AromaticContact CD1-CZ 3.48Å; Y858-F982 HydrophobicContact CD1-CZ 3.48Å; Y858-F982 VanDerWaalsContact CD1-CZ 3.48Å; Y858-F982 HydrophobicContact CE1-CE2 4.13Å; Y858-F982 HydrophobicContact CE1-CZ 4.05Å; Y858-F982 AromaticContact CG-CZ 3.92Å; Y858-F982 HydrophobicContact CG-CZ 3.92Å; I863-F982 HydrophobicContact CD1-CB 3.65Å; I863-F982 HydrophobicContact CD1-CD1 3.77Å; I863-F982 HydrophobicContact CD1-CD2 4.1Å; I863-F982 HydrophobicContact CD1-CE1 4.43Å; I863-F982 HydrophobicContact CD1-CG 3.58Å; I863-F982 HydrophobicContact CG1-CD1 4.39Å; F880-F982 HydrophobicContact CD2-CD2 4.22Å; F880-F982 HydrophobicContact CE2-CB 3.83Å; F880-F982 AromaticContact CE2-CD2 3.7Å; F880-F982 HydrophobicContact CE2-CD2 3.7Å; F880-F982 HydrophobicContact CE2-CG 4.25Å; F880-F982 HydrophobicContact CZ-CB 3.93Å; F880-F982 HydrophobicContact CZ-CD2 4.45Å; A897-F982 HydrophobicContact CB-CE2 4.37Å; L902-F982 HydrophobicContact CD1-CE2 4.21Å; L902-F982 HydrophobicContact CD2-CE2 4.04Å; L902-F982 HydrophobicContact CD2-CZ 4.08Å; I917-F982 HydrophobicContact CG2-CE1 4.28Å; L921-F982 HydrophobicContact CD2-CD1 3.89Å; V978-F982 PolarHBondContact O-N 3.35Å; A979-F982 PolarHBondContact O-N 2.87Å; F982-K984 VanDerWaalsContact C-N 3.26Å; F982-K984 PolarHBondContact O-N 3.01Å; F982-L985 WeakPolarHBondContact O-CB 3.4Å; F982-L985 PolarHBondContact O-N 2.93Å; F982-L985 VanDerWaalsContact O-N 3.09Å; F982-C986 VanDerWaalsContact CE1-SG 3.56Å; F982-C986 PolarHBondContact O-N 3.11Å; F982-C986 PolarHBondContact O-SG 3.41Å |
| 983 | R | 96 | Very high | 97.5 | Very high | 8 Ų | 8 | 16.5 Ų | 16.5 | 3% | 0.03 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.9 | -39.1 | 174.8 | -174.1 | 172 | 175.4 | -154.9 | -7.3 | 112.1 | C918 L921 M922 A979 L980 C986 F987 D1064 N1066 | C918-R983 HydrophobicContact CB-CG 4.37Å; L921-R983 HydrophobicContact CD2-CB 4.16Å; M922-R983 PolarHBondContact SD-NH1 3.25Å; A979-R983 WeakPolarHBondContact O-CB 3.19Å; A979-R983 PolarHBondContact O-N 3.1Å; L980-R983 PolarHBondContact O-N 2.91Å; R983-C986 WeakPolarHBondContact O-CB 3.21Å; R983-C986 PolarHBondContact O-N 3.04Å; R983-F987 HydrophobicContact CG-CD1 4.43Å; R983-F987 HydrophobicContact CG-CE1 4.15Å; R983-F987 HydrophobicContact CG-CE2 4.31Å; R983-F987 HydrophobicContact CG-CZ 4.11Å; R983-F987 WeakPolarHBondContact O-CG 3.36Å; R983-F987 PolarHBondContact O-N 3.32Å; R983-D1064 IonicContact CZ-OD1 3.18Å; R983-D1064 IonicContact CZ-OD2 2.99Å; R983-D1064 VanDerWaalsContact CZ-OD2 3.29Å; R983-D1064 IonicContact NH1-OD1 3.03Å; R983-D1064 PolarHBondContact NH1-OD1 2.97Å; R983-D1064 VanDerWaalsContact NH1-OD1 3.08Å; R983-D1064 IonicContact NH1-OD2 2.68Å; R983-D1064 PolarHBondContact NH1-OD2 3.49Å; R983-D1064 IonicContact NH2-OD1 3.87Å; R983-D1064 IonicContact NH2-OD2 3.76Å; R983-D1064 PolarHBondContact NH2-OD2 3.42Å; R983-N1066 PolarHBondContact NH2-ND2 2.86Å |
| 984 | K | 95 | Very high | 97.4 | Very high | 88 Ų | 88 | 17.6 Ų | 17.6 | 38% | 0.383 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -61.4 | -43 | 175.5 | -174.8 | 177.7 | 179.7 | 176.9 | 0 | 111.6 | L980 A981 F982 F987 E988 Y1146 | L980-K984 WeakPolarHBondContact O-CB 3.48Å; L980-K984 PolarHBondContact O-N 3.15Å; A981-K984 WeakPolarHBondContact O-CB 3.46Å; A981-K984 PolarHBondContact O-N 3.32Å; F982-K984 VanDerWaalsContact C-N 3.26Å; F982-K984 PolarHBondContact O-N 3.01Å; K984-F987 PolarHBondContact O-N 3.21Å; K984-E988 PolarHBondContact O-N 3.29Å; K984-Y1146 HydrophobicContact CD-CE1 4.11Å |
| 985 | L | 97 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 173.4 | -69.9 | -178.9 | 0 | 0 | 0 | 112 | Y873 K878 F880 L902 A981 F982 F987 E988 A989 | Y873-L985 HydrophobicContact CD2-CD1 4.17Å; Y873-L985 HydrophobicContact CE2-CD1 3.7Å; Y873-L985 HydrophobicContact CE2-CD2 4.05Å; Y873-L985 HydrophobicContact CE2-CG 3.78Å; K878-L985 HydrophobicContact CB-CD2 3.88Å; F880-L985 HydrophobicContact CD2-CD1 4.23Å; F880-L985 HydrophobicContact CE2-CD1 4.17Å; L902-L985 HydrophobicContact CD1-CB 3.53Å; L902-L985 HydrophobicContact CD1-CD1 4.12Å; L902-L985 HydrophobicContact CD1-CG 4.48Å; A981-L985 PolarHBondContact O-N 2.97Å; A981-L985 VanDerWaalsContact O-N 3.16Å; F982-L985 WeakPolarHBondContact O-CB 3.4Å; F982-L985 PolarHBondContact O-N 2.93Å; F982-L985 VanDerWaalsContact O-N 3.09Å; L985-F987 VanDerWaalsContact C-N 3.3Å; L985-F987 PolarHBondContact O-N 3.28Å; L985-E988 PolarHBondContact O-N 2.94Å; L985-A989 WeakPolarHBondContact O-CB 3.5Å; L985-A989 PolarHBondContact O-N 3.44Å |
| 986 | C | 97.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.6 | -40.8 | 175.8 | -68.6 | 0 | 0 | 0 | 0 | 112.2 | I914 F982 R983 A989 V990 | I914-C986 HydrophobicContact CG2-CB 3.81Å; F982-C986 VanDerWaalsContact CE1-SG 3.56Å; F982-C986 PolarHBondContact O-N 3.11Å; F982-C986 PolarHBondContact O-SG 3.41Å; R983-C986 WeakPolarHBondContact O-CB 3.21Å; R983-C986 PolarHBondContact O-N 3.04Å; C986-A989 PolarHBondContact O-N 2.65Å; C986-V990 WeakPolarHBondContact O-CG2 3.41Å; C986-V990 PolarHBondContact O-N 2.86Å |
| 987 | F | 96.3 | Very high | 97 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 12% | 0.118 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.9 | -42.9 | 175.9 | -76.9 | 0.6 | 0 | 0 | 0 | 112.1 | R983 K984 L985 A989 V990 H991 A1055 G1058 | R983-F987 HydrophobicContact CG-CD1 4.43Å; R983-F987 HydrophobicContact CG-CE1 4.15Å; R983-F987 HydrophobicContact CG-CE2 4.31Å; R983-F987 HydrophobicContact CG-CZ 4.11Å; R983-F987 WeakPolarHBondContact O-CG 3.36Å; R983-F987 PolarHBondContact O-N 3.32Å; K984-F987 PolarHBondContact O-N 3.21Å; L985-F987 VanDerWaalsContact C-N 3.3Å; L985-F987 PolarHBondContact O-N 3.28Å; F987-A989 VanDerWaalsContact C-N 3.28Å; F987-A989 PolarHBondContact O-N 3.08Å; F987-V990 PolarHBondContact O-N 2.97Å; F987-H991 WeakPolarHBondContact O-CB 3.32Å; F987-H991 PolarHBondContact O-N 2.99Å; F987-A1055 HydrophobicContact CE2-CB 4.03Å; F987-A1055 HydrophobicContact CZ-CB 3.85Å; F987-G1058 CarbonylContact C-O 3.59Å; F987-G1058 WeakPolarHBondContact O-CA 3.31Å |
| 988 | E | 96.9 | Very high | 96.8 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 29% | 0.285 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.5 | -37.4 | 175.6 | -167.9 | 169.9 | 173.8 | 0 | 0 | 112 | K878 L899 K984 L985 H991 S992 | K878-E988 IonicContact NZ-OE1 2.69Å; K878-E988 PolarHBondContact NZ-OE1 2.81Å; K878-E988 IonicContact NZ-OE2 3.08Å; L899-E988 HydrophobicContact CD1-CB 3.99Å; L899-E988 HydrophobicContact CD1-CG 4Å; L899-E988 HydrophobicContact CD2-CG 4.27Å; K984-E988 PolarHBondContact O-N 3.29Å; L985-E988 PolarHBondContact O-N 2.94Å; E988-H991 PolarHBondContact O-N 3.34Å; E988-S992 WeakPolarHBondContact O-CB 3.25Å; E988-S992 PolarHBondContact O-N 3.34Å |
| 989 | A | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -48 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L899 L902 I903 L985 C986 F987 H991 S992 V993 | L899-A989 HydrophobicContact CD1-CB 4.24Å; L902-A989 HydrophobicContact CB-CB 3.83Å; I903-A989 HydrophobicContact CG1-CB 3.88Å; L985-A989 WeakPolarHBondContact O-CB 3.5Å; L985-A989 PolarHBondContact O-N 3.44Å; C986-A989 PolarHBondContact O-N 2.65Å; F987-A989 VanDerWaalsContact C-N 3.28Å; F987-A989 PolarHBondContact O-N 3.08Å; A989-H991 VanDerWaalsContact C-N 3.32Å; A989-H991 PolarHBondContact O-N 2.91Å; A989-S992 PolarHBondContact O-N 3Å; A989-V993 WeakPolarHBondContact O-CG2 3.24Å; A989-V993 PolarHBondContact O-N 3.5Å |
| 990 | V | 97.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.7 | -47.8 | 173.7 | 171.3 | 0 | 0 | 0 | 0 | 111 | T906 P911 I914 C986 F987 S992 V993 L994 | T906-V990 HydrophobicContact CG2-CB 4.4Å; T906-V990 HydrophobicContact CG2-CG2 3.93Å; P911-V990 HydrophobicContact CB-CG1 4.23Å; P911-V990 HydrophobicContact CG-CG1 4.48Å; I914-V990 HydrophobicContact CB-CG2 3.77Å; I914-V990 HydrophobicContact CG1-CG2 3.94Å; I914-V990 HydrophobicContact CG2-CG2 3.55Å; C986-V990 WeakPolarHBondContact O-CG2 3.41Å; C986-V990 PolarHBondContact O-N 2.86Å; F987-V990 PolarHBondContact O-N 2.97Å; V990-S992 PolarHBondContact O-N 3.26Å; V990-V993 PolarHBondContact O-N 3.35Å; V990-L994 HydrophobicContact CG1-CD1 3.77Å; V990-L994 HydrophobicContact CG1-CG 4.26Å; V990-L994 WeakPolarHBondContact O-CB 3.4Å; V990-L994 WeakPolarHBondContact O-CG 3.26Å; V990-L994 PolarHBondContact O-N 2.98Å |
| 991 | H | 97.5 | Very high | 96.4 | Very high | 40 Ų | 40 | 53.1 Ų | 53.1 | 19% | 0.185 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 179.1 | -170.8 | 82.8 | 0 | 0 | 0 | 111.8 | F987 E988 A989 V993 L994 Q995 H1006 | F987-H991 WeakPolarHBondContact O-CB 3.32Å; F987-H991 PolarHBondContact O-N 2.99Å; E988-H991 PolarHBondContact O-N 3.34Å; A989-H991 VanDerWaalsContact C-N 3.32Å; A989-H991 PolarHBondContact O-N 2.91Å; H991-V993 PolarHBondContact O-N 2.94Å; H991-L994 PolarHBondContact O-N 3.42Å; H991-Q995 WeakPolarHBondContact O-CB 3.5Å; H991-Q995 PolarHBondContact O-N 2.95Å; H991-H1006 AromaticContact CE1-NE2 3.37Å; H991-H1006 PolarHBondContact CE1-NE2 3.38Å |
| 992 | S | 97.8 | Very high | 96.3 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 178.8 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | E988 A989 V990 K996 | E988-S992 WeakPolarHBondContact O-CB 3.25Å; E988-S992 PolarHBondContact O-N 3.34Å; A989-S992 PolarHBondContact O-N 3Å; V990-S992 PolarHBondContact O-N 3.26Å; S992-K996 PolarHBondContact O-N 3.37Å |
| 993 | V | 97.4 | Very high | 96.2 | Very high | 14 Ų | 14 | 56.9 Ų | 56.9 | 9% | 0.085 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 177.3 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | I903 T906 E907 A989 V990 H991 Q995 K996 R997 | I903-V993 HydrophobicContact CG2-CG2 3.91Å; T906-V993 HydrophobicContact CG2-CB 3.83Å; T906-V993 HydrophobicContact CG2-CG1 4.24Å; T906-V993 HydrophobicContact CG2-CG2 3.63Å; E907-V993 HydrophobicContact CG-CG1 4.03Å; E907-V993 HydrophobicContact CG-CG2 3.74Å; A989-V993 WeakPolarHBondContact O-CG2 3.24Å; A989-V993 PolarHBondContact O-N 3.5Å; V990-V993 PolarHBondContact O-N 3.35Å; H991-V993 PolarHBondContact O-N 2.94Å; V993-Q995 PolarHBondContact O-N 3.37Å; V993-K996 PolarHBondContact O-N 2.85Å; V993-R997 HydrophobicContact CG1-CG 4.1Å; V993-R997 WeakPolarHBondContact O-CB 3.37Å; V993-R997 VanDerWaalsContact O-CG 3.28Å; V993-R997 WeakPolarHBondContact O-CG 3.38Å; V993-R997 PolarHBondContact O-N 3.48Å |
| 994 | L | 96.7 | Very high | 96.1 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.1 | -35.3 | 179.9 | -69.2 | -180 | 0 | 0 | 0 | 112.6 | P911 V990 H991 K996 R997 T998 V1057 | P911-L994 HydrophobicContact CG-CD1 4.46Å; P911-L994 HydrophobicContact CG-CD2 3.94Å; P911-L994 HydrophobicContact CG-CG 4.41Å; V990-L994 HydrophobicContact CG1-CD1 3.77Å; V990-L994 HydrophobicContact CG1-CG 4.26Å; V990-L994 WeakPolarHBondContact O-CB 3.4Å; V990-L994 WeakPolarHBondContact O-CG 3.26Å; V990-L994 PolarHBondContact O-N 2.98Å; H991-L994 PolarHBondContact O-N 3.42Å; L994-K996 PolarHBondContact O-N 3.31Å; L994-R997 PolarHBondContact O-N 3.45Å; L994-T998 CarbonylContact O-C 3.58Å; L994-T998 WeakPolarHBondContact O-CA 3.28Å; L994-T998 PolarHBondContact O-N 3.15Å; L994-T998 PolarHBondContact O-OG1 3.38Å; L994-V1057 HydrophobicContact CD1-CB 3.75Å; L994-V1057 HydrophobicContact CD1-CG1 3.97Å |
| 995 | Q | 96.9 | Very high | 96.1 | Very high | 110 Ų | 110 | 55.5 Ų | 55.5 | 51% | 0.514 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.9 | -35.8 | 175.5 | -171.3 | 159.7 | 37 | 0 | 0 | 111.6 | H991 V993 P999 L1002 | H991-Q995 WeakPolarHBondContact O-CB 3.5Å; H991-Q995 PolarHBondContact O-N 2.95Å; V993-Q995 PolarHBondContact O-N 3.37Å; Q995-P999 WeakPolarHBondContact O-CB 3.44Å; Q995-L1002 HydrophobicContact CB-CD2 3.6Å; Q995-L1002 HydrophobicContact CG-CD2 4.11Å |
| 996 | K | 95.9 | Very high | 95.9 | Very high | 150 Ų | 150 | 57.9 Ų | 57.9 | 65% | 0.652 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -77.9 | -39.3 | 176.5 | -173.8 | 177.8 | 178.3 | -177.7 | 0 | 113.1 | S992 V993 L994 | S992-K996 PolarHBondContact O-N 3.37Å; V993-K996 PolarHBondContact O-N 2.85Å; L994-K996 PolarHBondContact O-N 3.31Å |
| 997 | R | 94.4 | Very high | 95.7 | Very high | 155 Ų | 155 | 62.9 Ų | 62.9 | 59% | 0.585 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -92.6 | -36.3 | -170.9 | -63.4 | -67.4 | -173 | 168.1 | 3.5 | 113.5 | E907 V993 L994 | E907-R997 IonicContact OE2-CZ 3.44Å; E907-R997 IonicContact OE2-NH2 2.65Å; E907-R997 PolarHBondContact OE2-NH2 3.32Å; V993-R997 HydrophobicContact CG1-CG 4.1Å; V993-R997 WeakPolarHBondContact O-CB 3.37Å; V993-R997 VanDerWaalsContact O-CG 3.28Å; V993-R997 WeakPolarHBondContact O-CG 3.38Å; V993-R997 PolarHBondContact O-N 3.48Å; L994-R997 PolarHBondContact O-N 3.45Å |
| 998 | T | 94.3 | Very high | 95.4 | Very high | 55 Ų | 55 | 64.9 Ų | 64.9 | 34% | 0.337 | 32% | 0.324 | S | S | . | . | trans | -142.6 | 57.9 | -172.6 | 58 | 0 | 0 | 0 | 0 | 111.9 | L994 F1000 L1001 L1002 | L994-T998 CarbonylContact O-C 3.58Å; L994-T998 WeakPolarHBondContact O-CA 3.28Å; L994-T998 PolarHBondContact O-N 3.15Å; L994-T998 PolarHBondContact O-OG1 3.38Å; T998-F1000 VanDerWaalsContact C-N 3.32Å; T998-F1000 PolarHBondContact O-N 2.99Å; T998-L1001 PolarHBondContact O-N 3.46Å; T998-L1002 PolarHBondContact O-N 2.9Å | ||
| 999 | P | 95.6 | Very high | 95 | Very high | 62 Ų | 62 | 64.9 Ų | 64.9 | 40% | 0.403 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.6 | -41 | -174.1 | 21.3 | -32.5 | 0 | 0 | 0 | 112.8 | Q995 L1001 L1002 D1003 | Q995-P999 WeakPolarHBondContact O-CB 3.44Å; P999-L1001 VanDerWaalsContact C-N 3.33Å; P999-L1001 PolarHBondContact O-N 3.45Å; P999-L1002 WeakPolarHBondContact O-CB 3.37Å; P999-L1002 PolarHBondContact O-N 3.18Å; P999-L1002 VanDerWaalsContact O-N 3.12Å; P999-D1003 VanDerWaalsContact O-CG 3.29Å; P999-D1003 PolarHBondContact O-N 2.92Å |
| 1000 | F | 96.1 | Very high | 94.6 | Very high | 167 Ų | 167 | 68.6 Ų | 68.6 | 73% | 0.732 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.1 | -39.8 | 180 | 177.8 | -95.7 | 0 | 0 | 0 | 113.4 | T998 L1002 T1004 | T998-F1000 VanDerWaalsContact C-N 3.32Å; T998-F1000 PolarHBondContact O-N 2.99Å; F1000-L1002 VanDerWaalsContact C-N 3.35Å; F1000-T1004 WeakPolarHBondContact O-CB 3.31Å; F1000-T1004 PolarHBondContact O-N 3.37Å; F1000-T1004 PolarHBondContact O-OG1 3.26Å |
| 1001 | L | 92.6 | Very high | 94.1 | Very high | 99 Ų | 99 | 75.6 Ų | 75.6 | 52% | 0.518 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 177.6 | -177.4 | 63.4 | 0 | 0 | 0 | 110.4 | T998 P999 T1004 V1005 | T998-L1001 PolarHBondContact O-N 3.46Å; P999-L1001 VanDerWaalsContact C-N 3.33Å; P999-L1001 PolarHBondContact O-N 3.45Å; L1001-T1004 WeakPolarHBondContact O-CB 3.15Å; L1001-T1004 PolarHBondContact O-N 3.2Å; L1001-V1005 PolarHBondContact O-N 3.11Å |
| 1002 | L | 94.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 177.2 | -174.6 | 63 | 0 | 0 | 0 | 111.5 | Q995 T998 P999 F1000 T1004 V1005 H1006 V1057 I1059 | Q995-L1002 HydrophobicContact CB-CD2 3.6Å; Q995-L1002 HydrophobicContact CG-CD2 4.11Å; T998-L1002 PolarHBondContact O-N 2.9Å; P999-L1002 WeakPolarHBondContact O-CB 3.37Å; P999-L1002 PolarHBondContact O-N 3.18Å; P999-L1002 VanDerWaalsContact O-N 3.12Å; F1000-L1002 VanDerWaalsContact C-N 3.35Å; L1002-T1004 VanDerWaalsContact C-N 3.26Å; L1002-T1004 PolarHBondContact O-N 3.14Å; L1002-V1005 PolarHBondContact O-N 3.18Å; L1002-V1005 VanDerWaalsContact O-N 3.1Å; L1002-H1006 PolarHBondContact O-CD2 3.49Å; L1002-H1006 VanDerWaalsContact O-CD2 3.26Å; L1002-H1006 PolarHBondContact O-N 3.25Å; L1002-V1057 HydrophobicContact CD1-CB 3.98Å; L1002-V1057 HydrophobicContact CD1-CG2 3.99Å; L1002-I1059 HydrophobicContact CD1-CD1 4.04Å; L1002-I1059 HydrophobicContact CD1-CG1 4.3Å |
| 1003 | D | 95.1 | Very high | 92.3 | Very high | 78 Ų | 78 | 76.6 Ų | 76.6 | 42% | 0.417 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.4 | -35.6 | 176.2 | -68.7 | -21.1 | 0 | 0 | 0 | 111.7 | P999 V1005 H1006 N1007 | P999-D1003 VanDerWaalsContact O-CG 3.29Å; P999-D1003 PolarHBondContact O-N 2.92Å; D1003-V1005 VanDerWaalsContact C-N 3.34Å; D1003-V1005 PolarHBondContact O-N 3.21Å; D1003-H1006 PolarHBondContact O-N 3.09Å; D1003-N1007 WeakPolarHBondContact O-CB 3.33Å; D1003-N1007 PolarHBondContact O-N 2.88Å; D1003-N1007 PolarHBondContact O-ND2 3.35Å |
| 1004 | T | 95.7 | Very high | 91.4 | Very high | 59 Ų | 59 | 82.1 Ų | 82.1 | 36% | 0.362 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 174.5 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | F1000 L1001 L1002 N1007 L1008 | F1000-T1004 WeakPolarHBondContact O-CB 3.31Å; F1000-T1004 PolarHBondContact O-N 3.37Å; F1000-T1004 PolarHBondContact O-OG1 3.26Å; L1001-T1004 WeakPolarHBondContact O-CB 3.15Å; L1001-T1004 PolarHBondContact O-N 3.2Å; L1002-T1004 VanDerWaalsContact C-N 3.26Å; L1002-T1004 PolarHBondContact O-N 3.14Å; T1004-N1007 PolarHBondContact O-N 2.94Å; T1004-L1008 WeakPolarHBondContact O-CB 3.28Å; T1004-L1008 PolarHBondContact O-N 2.96Å |
| 1005 | V | 93.5 | Very high | 90.4 | Very high | 8 Ų | 8 | 85.7 Ų | 85.7 | 5% | 0.048 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 176.2 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | L1001 L1002 D1003 L1008 R1009 L1053 V1057 I1059 | L1001-V1005 PolarHBondContact O-N 3.11Å; L1002-V1005 PolarHBondContact O-N 3.18Å; L1002-V1005 VanDerWaalsContact O-N 3.1Å; D1003-V1005 VanDerWaalsContact C-N 3.34Å; D1003-V1005 PolarHBondContact O-N 3.21Å; V1005-L1008 PolarHBondContact O-N 3.15Å; V1005-R1009 WeakPolarHBondContact O-CB 3.35Å; V1005-R1009 PolarHBondContact O-N 3.21Å; V1005-L1053 HydrophobicContact CG1-CD2 4.22Å; V1005-L1053 HydrophobicContact CG1-CG 4Å; V1005-L1053 HydrophobicContact CG2-CD1 4.27Å; V1005-L1053 HydrophobicContact CG2-CD2 4.22Å; V1005-L1053 HydrophobicContact CG2-CG 4.09Å; V1005-V1057 HydrophobicContact CB-CG2 4.14Å; V1005-V1057 HydrophobicContact CG1-CG2 3.77Å; V1005-V1057 HydrophobicContact CG2-CG1 4.25Å; V1005-V1057 HydrophobicContact CG2-CG2 4.24Å; V1005-I1059 HydrophobicContact CB-CD1 4.39Å; V1005-I1059 HydrophobicContact CG1-CD1 3.9Å |
| 1006 | H | 93 | Very high | 88.9 | Confident | 50 Ų | 50 | 82.2 Ų | 82.2 | 23% | 0.231 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.7 | -50.3 | 173.2 | -80 | -68.1 | 0 | 0 | 0 | 112.2 | H991 L1002 D1003 L1008 R1009 D1010 | H991-H1006 AromaticContact CE1-NE2 3.37Å; H991-H1006 PolarHBondContact CE1-NE2 3.38Å; L1002-H1006 PolarHBondContact O-CD2 3.49Å; L1002-H1006 VanDerWaalsContact O-CD2 3.26Å; L1002-H1006 PolarHBondContact O-N 3.25Å; D1003-H1006 PolarHBondContact O-N 3.09Å; H1006-L1008 VanDerWaalsContact C-N 3.3Å; H1006-L1008 PolarHBondContact O-N 3.17Å; H1006-R1009 WeakPolarHBondContact O-CB 3.34Å; H1006-R1009 PolarHBondContact O-N 3.38Å; H1006-R1009 VanDerWaalsContact O-N 3.15Å; H1006-D1010 PolarHBondContact O-N 3.38Å |
| 1007 | N | 93.8 | Very high | 87.2 | Confident | 106 Ų | 106 | 78.6 Ų | 78.6 | 57% | 0.567 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.6 | -40 | 178.9 | -72.5 | -37.4 | 0 | 0 | 0 | 112.1 | D1003 T1004 D1010 Y1011 | D1003-N1007 WeakPolarHBondContact O-CB 3.33Å; D1003-N1007 PolarHBondContact O-N 2.88Å; D1003-N1007 PolarHBondContact O-ND2 3.35Å; T1004-N1007 PolarHBondContact O-N 2.94Å; N1007-D1010 PolarHBondContact O-N 2.96Å; N1007-Y1011 VanDerWaalsContact O-CB 3.24Å; N1007-Y1011 WeakPolarHBondContact O-CB 3.47Å; N1007-Y1011 PolarHBondContact O-N 3.5Å |
| 1008 | L | 90.2 | Very high | 85.3 | Confident | 70 Ų | 70 | 74.6 Ų | 74.6 | 37% | 0.366 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 176.9 | -169.7 | 153.3 | 0 | 0 | 0 | 111.1 | T1004 V1005 H1006 Y1011 I1012 L1050 L1053 | T1004-L1008 WeakPolarHBondContact O-CB 3.28Å; T1004-L1008 PolarHBondContact O-N 2.96Å; V1005-L1008 PolarHBondContact O-N 3.15Å; H1006-L1008 VanDerWaalsContact C-N 3.3Å; H1006-L1008 PolarHBondContact O-N 3.17Å; L1008-Y1011 PolarHBondContact O-N 3.37Å; L1008-I1012 HydrophobicContact CD2-CD1 3.49Å; L1008-I1012 VanDerWaalsContact CD2-CD1 3.49Å; L1008-I1012 HydrophobicContact CD2-CG1 4.28Å; L1008-I1012 HydrophobicContact CG-CD1 4.41Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.29Å; L1008-I1012 PolarHBondContact O-N 3.01Å; L1008-L1050 HydrophobicContact CD2-CD1 3.38Å; L1008-L1053 HydrophobicContact CD2-CD2 4.42Å |
| 1009 | R | 88.8 | Confident | 83.2 | Confident | 61 Ų | 61 | 74.1 Ų | 74.1 | 23% | 0.23 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.2 | -50.5 | 174 | -179.6 | -173.3 | 178.9 | -178.7 | 2.4 | 111 | V1005 H1006 Y1011 I1012 I1013 L1050 | V1005-R1009 WeakPolarHBondContact O-CB 3.35Å; V1005-R1009 PolarHBondContact O-N 3.21Å; H1006-R1009 WeakPolarHBondContact O-CB 3.34Å; H1006-R1009 PolarHBondContact O-N 3.38Å; H1006-R1009 VanDerWaalsContact O-N 3.15Å; R1009-Y1011 VanDerWaalsContact C-N 3.33Å; R1009-Y1011 PolarHBondContact O-N 2.89Å; R1009-I1012 PolarHBondContact O-N 3.11Å; R1009-I1013 HydrophobicContact CG-CD1 3.73Å; R1009-I1013 HydrophobicContact CG-CG1 4.49Å; R1009-I1013 WeakPolarHBondContact O-CB 3.4Å; R1009-I1013 VanDerWaalsContact O-CG1 3.26Å; R1009-I1013 WeakPolarHBondContact O-CG1 3.49Å; R1009-I1013 PolarHBondContact O-N 2.81Å; R1009-L1050 HydrophobicContact CB-CD1 4.2Å; R1009-L1050 HydrophobicContact CB-CD2 4.45Å; R1009-L1050 HydrophobicContact CG-CD2 4.28Å |
| 1010 | D | 88.8 | Confident | 81 | Confident | 77 Ų | 77 | 75.1 Ų | 75.1 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | -178.9 | -68.2 | -14.7 | 0 | 0 | 0 | 111.3 | H1006 N1007 I1013 Q1014 | H1006-D1010 PolarHBondContact O-N 3.38Å; N1007-D1010 PolarHBondContact O-N 2.96Å; D1010-I1013 PolarHBondContact O-N 3.11Å; D1010-Q1014 WeakPolarHBondContact O-CB 3.2Å; D1010-Q1014 VanDerWaalsContact O-CG 3.24Å; D1010-Q1014 WeakPolarHBondContact O-CG 3.28Å; D1010-Q1014 PolarHBondContact O-N 2.89Å |
| 1011 | Y | 86.9 | Confident | 78.5 | Confident | 153 Ų | 153 | 74.3 Ų | 74.3 | 60% | 0.6 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.6 | -46.6 | 175.8 | 178.1 | -101.9 | 0 | 0 | 0 | 112.4 | N1007 L1008 R1009 Q1014 K1015 | N1007-Y1011 VanDerWaalsContact O-CB 3.24Å; N1007-Y1011 WeakPolarHBondContact O-CB 3.47Å; N1007-Y1011 PolarHBondContact O-N 3.5Å; L1008-Y1011 PolarHBondContact O-N 3.37Å; R1009-Y1011 VanDerWaalsContact C-N 3.33Å; R1009-Y1011 PolarHBondContact O-N 2.89Å; Y1011-Q1014 PolarHBondContact O-N 2.71Å; Y1011-K1015 VanDerWaalsContact O-CB 3.31Å; Y1011-K1015 WeakPolarHBondContact O-CB 3.41Å; Y1011-K1015 PolarHBondContact O-N 2.68Å |
| 1012 | I | 80.8 | Confident | 76 | Confident | 41 Ų | 41 | 75.2 Ų | 75.2 | 21% | 0.21 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 179.1 | -69.1 | 179.6 | 0 | 0 | 0 | 111 | L1008 R1009 K1015 S1016 L1050 | L1008-I1012 HydrophobicContact CD2-CD1 3.49Å; L1008-I1012 VanDerWaalsContact CD2-CD1 3.49Å; L1008-I1012 HydrophobicContact CD2-CG1 4.28Å; L1008-I1012 HydrophobicContact CG-CD1 4.41Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.29Å; L1008-I1012 PolarHBondContact O-N 3.01Å; R1009-I1012 PolarHBondContact O-N 3.11Å; I1012-K1015 PolarHBondContact O-N 3.18Å; I1012-S1016 WeakPolarHBondContact O-CB 3.41Å; I1012-S1016 PolarHBondContact O-N 2.97Å; I1012-S1016 PolarHBondContact O-OG 3.24Å; I1012-L1050 HydrophobicContact CB-CD2 3.89Å; I1012-L1050 HydrophobicContact CD1-CB 4.38Å; I1012-L1050 HydrophobicContact CD1-CD1 4.25Å; I1012-L1050 HydrophobicContact CD1-CD2 4.05Å; I1012-L1050 HydrophobicContact CD1-CG 4.46Å; I1012-L1050 HydrophobicContact CG2-CD2 3.83Å |
| 1013 | I | 77.4 | Confident | 73.4 | Confident | 69 Ų | 69 | 78.5 Ų | 78.5 | 35% | 0.354 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 176.3 | -68.6 | 170.7 | 0 | 0 | 0 | 110.5 | R1009 D1010 S1016 S1017 | R1009-I1013 HydrophobicContact CG-CD1 3.73Å; R1009-I1013 HydrophobicContact CG-CG1 4.49Å; R1009-I1013 WeakPolarHBondContact O-CB 3.4Å; R1009-I1013 VanDerWaalsContact O-CG1 3.26Å; R1009-I1013 WeakPolarHBondContact O-CG1 3.49Å; R1009-I1013 PolarHBondContact O-N 2.81Å; D1010-I1013 PolarHBondContact O-N 3.11Å; I1013-S1016 PolarHBondContact O-N 3.41Å; I1013-S1016 PolarHBondContact O-OG 3.5Å; I1013-S1017 PolarHBondContact O-N 3.06Å; I1013-S1017 VanDerWaalsContact O-N 3.12Å; I1013-S1017 PolarHBondContact O-OG 2.84Å |
| 1014 | Q | 79.4 | Confident | 70.9 | Confident | 131 Ų | 131 | 80.6 Ų | 80.6 | 61% | 0.612 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | 176.5 | -72.5 | 176 | 15.7 | 0 | 0 | 112.3 | D1010 Y1011 S1017 S1018 | D1010-Q1014 WeakPolarHBondContact O-CB 3.2Å; D1010-Q1014 VanDerWaalsContact O-CG 3.24Å; D1010-Q1014 WeakPolarHBondContact O-CG 3.28Å; D1010-Q1014 PolarHBondContact O-N 2.89Å; Y1011-Q1014 PolarHBondContact O-N 2.71Å; Q1014-S1017 WeakPolarHBondContact O-CB 3.38Å; Q1014-S1017 PolarHBondContact O-N 3.15Å; Q1014-S1018 PolarHBondContact O-N 3.27Å; Q1014-S1018 PolarHBondContact O-OG 3.01Å |
| 1015 | K | 75.6 | Confident | 68 | Low | 96 Ų | 96 | 80.6 Ų | 80.6 | 42% | 0.417 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 175.6 | -172.6 | -176.7 | 174.7 | -166 | 0 | 111.6 | Y1011 I1012 S1017 S1018 D1019 | Y1011-K1015 VanDerWaalsContact O-CB 3.31Å; Y1011-K1015 WeakPolarHBondContact O-CB 3.41Å; Y1011-K1015 PolarHBondContact O-N 2.68Å; I1012-K1015 PolarHBondContact O-N 3.18Å; K1015-S1017 VanDerWaalsContact C-N 3.27Å; K1015-S1017 PolarHBondContact O-N 3.17Å; K1015-S1018 WeakPolarHBondContact O-CA 3.18Å; K1015-S1018 WeakPolarHBondContact O-CB 3.48Å; K1015-S1018 PolarHBondContact O-N 3.29Å; K1015-D1019 WeakPolarHBondContact CE-OD2 3.17Å; K1015-D1019 PolarHBondContact O-N 2.73Å |
| 1016 | S | 65.7 | Low | 65.2 | Low | 38 Ų | 38 | 83.7 Ų | 83.7 | 27% | 0.266 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.7 | -36.2 | 178 | 74 | 0 | 0 | 0 | 0 | 112.4 | I1012 I1013 S1018 T1020 | I1012-S1016 WeakPolarHBondContact O-CB 3.41Å; I1012-S1016 PolarHBondContact O-N 2.97Å; I1012-S1016 PolarHBondContact O-OG 3.24Å; I1013-S1016 PolarHBondContact O-N 3.41Å; I1013-S1016 PolarHBondContact O-OG 3.5Å; S1016-S1018 PolarHBondContact O-N 2.88Å; S1016-T1020 WeakPolarHBondContact O-CB 3.48Å; S1016-T1020 PolarHBondContact O-N 2.91Å; S1016-T1020 PolarHBondContact O-OG1 3.39Å |
| 1017 | S | 58.3 | Low | 62.5 | Low | 73 Ų | 73 | 87 Ų | 87 | 51% | 0.51 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.9 | -28.6 | 174.4 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | I1013 Q1014 K1015 | I1013-S1017 PolarHBondContact O-N 3.06Å; I1013-S1017 VanDerWaalsContact O-N 3.12Å; I1013-S1017 PolarHBondContact O-OG 2.84Å; Q1014-S1017 WeakPolarHBondContact O-CB 3.38Å; Q1014-S1017 PolarHBondContact O-N 3.15Å; K1015-S1017 VanDerWaalsContact C-N 3.27Å; K1015-S1017 PolarHBondContact O-N 3.17Å |
| 1018 | S | 54.9 | Low | 59.7 | Low | 71 Ų | 71 | 86 Ų | 86 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -83.4 | -44.2 | 178.7 | -51.3 | 0 | 0 | 0 | 0 | 111.9 | Q1014 K1015 S1016 T1020 Q1021 | Q1014-S1018 PolarHBondContact O-N 3.27Å; Q1014-S1018 PolarHBondContact O-OG 3.01Å; K1015-S1018 WeakPolarHBondContact O-CA 3.18Å; K1015-S1018 WeakPolarHBondContact O-CB 3.48Å; K1015-S1018 PolarHBondContact O-N 3.29Å; S1016-S1018 PolarHBondContact O-N 2.88Å; S1018-T1020 PolarHBondContact O-N 2.9Å; S1018-Q1021 WeakPolarHBondContact O-CB 3.14Å; S1018-Q1021 PolarHBondContact O-N 3.29Å |
| 1019 | D | 51.2 | Low | 57.3 | Low | 46 Ų | 46 | 88 Ų | 88 | 25% | 0.246 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -71.3 | -28.4 | 179.6 | -79.2 | -27.3 | 0 | 0 | 0 | 112.7 | K1015 Q1021 L1022 L1023 | K1015-D1019 WeakPolarHBondContact CE-OD2 3.17Å; K1015-D1019 PolarHBondContact O-N 2.73Å; D1019-Q1021 PolarHBondContact O-N 3.44Å; D1019-L1022 WeakPolarHBondContact O-CA 3.25Å; D1019-L1022 WeakPolarHBondContact O-CB 3.2Å; D1019-L1022 PolarHBondContact O-N 3.12Å; D1019-L1023 PolarHBondContact O-N 2.9Å |
| 1020 | T | 49.6 | Very low | 55.2 | Low | 82 Ų | 82 | 94.6 Ų | 94.6 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.8 | -31.1 | 173.7 | -51.3 | 0 | 0 | 0 | 0 | 111.2 | S1016 S1018 L1023 T1024 | S1016-T1020 WeakPolarHBondContact O-CB 3.48Å; S1016-T1020 PolarHBondContact O-N 2.91Å; S1016-T1020 PolarHBondContact O-OG1 3.39Å; S1018-T1020 PolarHBondContact O-N 2.9Å; T1020-L1023 PolarHBondContact O-N 3.44Å; T1020-T1024 PolarHBondContact O-N 3.35Å |
| 1021 | Q | 43.6 | Very low | 53 | Low | 150 Ų | 150 | 97.3 Ų | 97.3 | 70% | 0.701 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.3 | -36.8 | 172.3 | -62 | -169.4 | -4.5 | 0 | 0 | 111.8 | S1018 D1019 T1024 G1025 | S1018-Q1021 WeakPolarHBondContact O-CB 3.14Å; S1018-Q1021 PolarHBondContact O-N 3.29Å; D1019-Q1021 PolarHBondContact O-N 3.44Å; Q1021-T1024 PolarHBondContact O-N 3.2Å; Q1021-T1024 PolarHBondContact O-OG1 2.83Å; Q1021-G1025 PolarHBondContact O-N 3.34Å |
| 1022 | L | 39.2 | Very low | 50.8 | Low | 119 Ų | 119 | 93 Ų | 93 | 62% | 0.623 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.6 | -31.7 | 176.4 | -76.7 | 165.4 | 0 | 0 | 0 | 112.9 | D1019 G1025 | D1019-L1022 WeakPolarHBondContact O-CA 3.25Å; D1019-L1022 WeakPolarHBondContact O-CB 3.2Å; D1019-L1022 PolarHBondContact O-N 3.12Å; L1022-G1025 PolarHBondContact O-N 3.23Å |
| 1023 | L | 40.5 | Very low | 49.3 | Very low | 70 Ų | 70 | 93.8 Ų | 93.8 | 37% | 0.366 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.5 | -32.1 | 175.7 | -73.3 | 170.2 | 0 | 0 | 0 | 112.8 | D1019 T1020 G1025 | D1019-L1023 PolarHBondContact O-N 2.9Å; T1020-L1023 PolarHBondContact O-N 3.44Å; L1023-G1025 VanDerWaalsContact C-N 3.28Å; L1023-G1025 PolarHBondContact O-N 3.13Å |
| 1024 | T | 40.9 | Very low | 47.8 | Very low | 122 Ų | 122 | 97.7 Ų | 97.7 | 75% | 0.748 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -77.8 | -12.1 | 173.8 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | T1020 Q1021 | T1020-T1024 PolarHBondContact O-N 3.35Å; Q1021-T1024 PolarHBondContact O-N 3.2Å; Q1021-T1024 PolarHBondContact O-OG1 2.83Å |
| 1025 | G | 36.5 | Very low | 46.3 | Very low | 59 Ų | 59 | 98.1 Ų | 98.1 | 61% | 0.608 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -96.9 | 0.7 | -164 | 0 | 0 | 0 | 0 | 0 | 118 | Q1021 L1022 L1023 | Q1021-G1025 PolarHBondContact O-N 3.34Å; L1022-G1025 PolarHBondContact O-N 3.23Å; L1023-G1025 VanDerWaalsContact C-N 3.28Å; L1023-G1025 PolarHBondContact O-N 3.13Å |
| 1026 | S | 35 | Very low | 45.5 | Very low | 74 Ų | 74 | 94.6 Ų | 94.6 | 52% | 0.517 | 56% | 0.558 | S | S | . | * | trans | -128.8 | 86.6 | -178.3 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | S1028 | S1026-S1028 PolarHBondContact O-N 3.39Š| ||
| 1027 | S | 34.5 | Very low | 45.1 | Very low | 119 Ų | 119 | 96.9 Ų | 96.9 | 83% | 0.832 | 57% | 0.565 | S | S | * | * | trans | -69.4 | 91.1 | 161 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1028 | S | 36.2 | Very low | 45.5 | Very low | 84 Ų | 84 | 99.2 Ų | 99.2 | 59% | 0.587 | 57% | 0.568 | S | S | * | * | trans | -179.6 | 138.4 | 154.9 | 34.2 | 0 | 0 | 0 | 0 | 113.2 | S1026 N1032 | S1026-S1028 PolarHBondContact O-N 3.39Å; S1028-N1032 PolarHBondContact O-ND2 3.46Å | ||
| 1029 | T | 38.7 | Very low | 46.2 | Very low | 112 Ų | 112 | 101.7 Ų | 101.7 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | trans | 78.3 | 118.6 | 166 | 62.5 | 0 | 0 | 0 | 0 | 118.8 | N1031 N1032 | T1029-N1031 PolarHBondContact O-N 3.22Å; T1029-N1032 PolarHBondContact O-N 3.08Å; T1029-N1032 VanDerWaalsContact O-N 3.11Å | ||
| 1030 | E | 46 | Very low | 47.1 | Very low | 201 Ų | 201 | 102.5 Ų | 102.5 | 94% | 0.939 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -5.3 | -169.9 | -67.2 | 171.1 | 143.9 | 0 | 0 | 116 | N1032 | E1030-N1032 VanDerWaalsContact C-N 3.34Š|
| 1031 | N | 41.3 | Very low | 48.1 | Very low | 134 Ų | 134 | 101.7 Ų | 101.7 | 72% | 0.717 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -11.2 | 172 | -85.2 | -14.3 | 0 | 0 | 0 | 113.4 | T1029 G1033 Y1035 | T1029-N1031 PolarHBondContact O-N 3.22Å; N1031-G1033 VanDerWaalsContact C-N 3.28Å; N1031-G1033 PolarHBondContact O-N 2.94Å; N1031-Y1035 WeakPolarHBondContact O-CD2 3.48Å |
| 1032 | N | 42.5 | Very low | 49.6 | Very low | 62 Ų | 62 | 96.8 Ų | 96.8 | 33% | 0.332 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -72.6 | -12.1 | -178.5 | -82.8 | -18.9 | 0 | 0 | 0 | 114.7 | S1028 T1029 E1030 K1034 Y1035 G1036 | S1028-N1032 PolarHBondContact O-ND2 3.46Å; T1029-N1032 PolarHBondContact O-N 3.08Å; T1029-N1032 VanDerWaalsContact O-N 3.11Å; E1030-N1032 VanDerWaalsContact C-N 3.34Å; N1032-K1034 PolarHBondContact O-N 3.01Å; N1032-Y1035 PolarHBondContact O-N 3.47Å; N1032-G1036 WeakPolarHBondContact O-CA 3.31Å; N1032-G1036 PolarHBondContact O-N 3.28Å |
| 1033 | G | 48.4 | Very low | 51.3 | Low | 57 Ų | 57 | 93.7 Ų | 93.7 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.6 | -42.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N1031 M1037 | N1031-G1033 VanDerWaalsContact C-N 3.28Å; N1031-G1033 PolarHBondContact O-N 2.94Å; G1033-M1037 PolarHBondContact O-N 2.99Å |
| 1034 | K | 46.3 | Very low | 53.1 | Low | 151 Ų | 151 | 91.2 Ų | 91.2 | 66% | 0.657 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.3 | -48 | 174.8 | -78.5 | -173.7 | 174 | -176.4 | 0 | 111.7 | N1032 G1036 M1037 E1038 | N1032-K1034 PolarHBondContact O-N 3.01Å; K1034-G1036 VanDerWaalsContact C-N 3.26Å; K1034-G1036 PolarHBondContact O-N 3.01Å; K1034-M1037 PolarHBondContact O-N 3.21Å; K1034-E1038 WeakPolarHBondContact O-CB 3.45Å; K1034-E1038 WeakPolarHBondContact O-CG 3.31Å; K1034-E1038 PolarHBondContact O-N 3.49Å |
| 1035 | Y | 47.1 | Very low | 54.9 | Low | 140 Ų | 140 | 89.4 Ų | 89.4 | 55% | 0.549 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -31.2 | 177.6 | -73.1 | -72.8 | 0 | 0 | 0 | 113.4 | N1031 N1032 R1039 | N1031-Y1035 WeakPolarHBondContact O-CD2 3.48Å; N1032-Y1035 PolarHBondContact O-N 3.47Å; Y1035-R1039 WeakPolarHBondContact O-CB 3.5Å; Y1035-R1039 PolarHBondContact O-N 3.35Å |
| 1036 | G | 58.9 | Low | 57.2 | Low | 23 Ų | 23 | 91 Ų | 91 | 24% | 0.237 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -70.5 | -48.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1032 K1034 R1039 I1040 | N1032-G1036 WeakPolarHBondContact O-CA 3.31Å; N1032-G1036 PolarHBondContact O-N 3.28Å; K1034-G1036 VanDerWaalsContact C-N 3.26Å; K1034-G1036 PolarHBondContact O-N 3.01Å; G1036-R1039 PolarHBondContact O-N 3.07Å; G1036-I1040 VanDerWaalsContact O-CG1 3.28Å; G1036-I1040 WeakPolarHBondContact O-CG1 3.49Å; G1036-I1040 PolarHBondContact O-N 3.18Å |
| 1037 | M | 57.4 | Low | 59.4 | Low | 86 Ų | 86 | 89.8 Ų | 89.8 | 42% | 0.424 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 173.9 | -93.4 | -64.4 | -159.7 | 0 | 0 | 111.8 | G1033 K1034 R1039 I1040 Y1041 | G1033-M1037 PolarHBondContact O-N 2.99Å; K1034-M1037 PolarHBondContact O-N 3.21Å; M1037-R1039 VanDerWaalsContact C-N 3.3Å; M1037-R1039 PolarHBondContact O-N 2.89Å; M1037-I1040 PolarHBondContact O-N 3.17Å; M1037-Y1041 HydrophobicContact CB-CE2 4.49Å; M1037-Y1041 WeakPolarHBondContact O-CD2 3.41Å; M1037-Y1041 PolarHBondContact O-N 3.4Å; M1037-Y1041 HydrophobicContact SD-CD2 4.33Å; M1037-Y1041 HydrophobicContact SD-CE2 3.72Å |
| 1038 | E | 67 | Low | 61.8 | Low | 121 Ų | 121 | 85.1 Ų | 85.1 | 57% | 0.565 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -57.3 | -41.7 | 175.4 | -75.3 | 173.3 | -176.3 | 0 | 0 | 112.1 | K1034 Y1041 A1042 | K1034-E1038 WeakPolarHBondContact O-CB 3.45Å; K1034-E1038 WeakPolarHBondContact O-CG 3.31Å; K1034-E1038 PolarHBondContact O-N 3.49Å; E1038-Y1041 PolarHBondContact O-N 3.18Å; E1038-A1042 VanDerWaalsContact O-CB 3.32Å; E1038-A1042 WeakPolarHBondContact O-CB 3.34Å; E1038-A1042 PolarHBondContact O-N 3.44Å |
| 1039 | R | 69.1 | Low | 64.2 | Low | 123 Ų | 123 | 87 Ų | 87 | 46% | 0.464 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 173.9 | -92.3 | -168.3 | -105.5 | -176.8 | -6.8 | 113.1 | Y1035 G1036 M1037 A1042 H1043 | Y1035-R1039 WeakPolarHBondContact O-CB 3.5Å; Y1035-R1039 PolarHBondContact O-N 3.35Å; G1036-R1039 PolarHBondContact O-N 3.07Å; M1037-R1039 VanDerWaalsContact C-N 3.3Å; M1037-R1039 PolarHBondContact O-N 2.89Å; R1039-A1042 WeakPolarHBondContact O-CB 3.27Å; R1039-A1042 PolarHBondContact O-N 3.43Å; R1039-H1043 PolarHBondContact O-CD2 3.37Å; R1039-H1043 PolarHBondContact O-N 3.37Å |
| 1040 | I | 69.4 | Low | 66.6 | Low | 63 Ų | 63 | 81.9 Ų | 81.9 | 32% | 0.323 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 177.6 | -68.3 | 166.4 | 0 | 0 | 0 | 110.3 | G1036 M1037 A1042 H1043 F1044 P1161 | G1036-I1040 VanDerWaalsContact O-CG1 3.28Å; G1036-I1040 WeakPolarHBondContact O-CG1 3.49Å; G1036-I1040 PolarHBondContact O-N 3.18Å; M1037-I1040 PolarHBondContact O-N 3.17Å; I1040-A1042 VanDerWaalsContact C-N 3.34Å; I1040-H1043 PolarHBondContact O-N 3.18Å; I1040-F1044 WeakPolarHBondContact O-CB 3.46Å; I1040-F1044 PolarHBondContact O-N 3.43Å; I1040-P1161 HydrophobicContact CG2-CB 3.52Å; I1040-P1161 HydrophobicContact CG2-CG 3.6Å |
| 1041 | Y | 71.3 | Confident | 68.6 | Low | 65 Ų | 65 | 72.8 Ų | 72.8 | 26% | 0.255 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.3 | -35.5 | 176.2 | -76.6 | -68.6 | 0 | 0 | 0 | 112.5 | M1037 E1038 F1044 N1045 Q1101 | M1037-Y1041 HydrophobicContact CB-CE2 4.49Å; M1037-Y1041 WeakPolarHBondContact O-CD2 3.41Å; M1037-Y1041 PolarHBondContact O-N 3.4Å; M1037-Y1041 HydrophobicContact SD-CD2 4.33Å; M1037-Y1041 HydrophobicContact SD-CE2 3.72Å; E1038-Y1041 PolarHBondContact O-N 3.18Å; Y1041-F1044 PolarHBondContact O-N 3.26Å; Y1041-N1045 WeakPolarHBondContact O-CB 3.31Å; Y1041-N1045 VanDerWaalsContact O-CG 3.31Å; Y1041-N1045 PolarHBondContact O-N 3.36Å; Y1041-N1045 PolarHBondContact O-ND2 2.91Å; Y1041-Q1101 PolarHBondContact OH-NE2 3.48Å |
| 1042 | A | 75.1 | Confident | 70.9 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 40% | 0.397 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1038 R1039 I1040 F1044 N1045 E1046 | E1038-A1042 VanDerWaalsContact O-CB 3.32Å; E1038-A1042 WeakPolarHBondContact O-CB 3.34Å; E1038-A1042 PolarHBondContact O-N 3.44Å; R1039-A1042 WeakPolarHBondContact O-CB 3.27Å; R1039-A1042 PolarHBondContact O-N 3.43Å; I1040-A1042 VanDerWaalsContact C-N 3.34Å; A1042-F1044 PolarHBondContact O-N 2.87Å; A1042-N1045 WeakPolarHBondContact O-CB 3.49Å; A1042-N1045 PolarHBondContact O-N 2.96Å; A1042-N1045 VanDerWaalsContact O-N 3.15Å; A1042-E1046 WeakPolarHBondContact O-CG 3.39Å; A1042-E1046 PolarHBondContact O-N 3.03Å |
| 1043 | H | 75 | Confident | 73.3 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 25% | 0.25 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 175.3 | -74.6 | -53.4 | 0 | 0 | 0 | 112.8 | R1039 I1040 N1045 E1046 Q1047 | R1039-H1043 PolarHBondContact O-CD2 3.37Å; R1039-H1043 PolarHBondContact O-N 3.37Å; I1040-H1043 PolarHBondContact O-N 3.18Å; H1043-N1045 VanDerWaalsContact C-N 3.3Å; H1043-N1045 PolarHBondContact O-N 3.27Å; H1043-E1046 IonicContact CE1-OE2 3.96Å; H1043-E1046 IonicContact ND1-OE2 3.24Å; H1043-E1046 PolarHBondContact ND1-OE2 2.87Å; H1043-E1046 PolarHBondContact O-N 3.38Å; H1043-Q1047 WeakPolarHBondContact O-CG 3.39Å; H1043-Q1047 PolarHBondContact O-N 3.43Å |
| 1044 | F | 77.9 | Confident | 75.3 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 172.7 | 173.4 | -100.1 | 0 | 0 | 0 | 111.2 | I1040 Y1041 A1042 Q1047 L1048 L1063 C1068 S1157 L1158 | I1040-F1044 WeakPolarHBondContact O-CB 3.46Å; I1040-F1044 PolarHBondContact O-N 3.43Å; Y1041-F1044 PolarHBondContact O-N 3.26Å; A1042-F1044 PolarHBondContact O-N 2.87Å; F1044-Q1047 PolarHBondContact O-N 3.12Å; F1044-L1048 HydrophobicContact CE1-CD2 4.1Å; F1044-L1048 VanDerWaalsContact O-CB 3.26Å; F1044-L1048 WeakPolarHBondContact O-CB 3.48Å; F1044-L1048 PolarHBondContact O-N 3.36Å; F1044-L1063 HydrophobicContact CD2-CD2 4.2Å; F1044-L1063 HydrophobicContact CE2-CD1 4.19Å; F1044-L1063 HydrophobicContact CE2-CD2 3.74Å; F1044-C1068 HydrophobicContact CZ-CB 4.43Å; F1044-S1157 WeakPolarHBondContact CD2-O 3.42Å; F1044-S1157 WeakPolarHBondContact CE2-O 3.31Å; F1044-L1158 HydrophobicContact CE1-CD1 3.91Å; F1044-L1158 HydrophobicContact CZ-CB 4.45Å; F1044-L1158 HydrophobicContact CZ-CD1 4.08Å |
| 1045 | N | 80.2 | Confident | 77.4 | Confident | 84 Ų | 84 | 59.7 Ų | 59.7 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 176.2 | -74.2 | -29.7 | 0 | 0 | 0 | 112.7 | Y1041 A1042 H1043 L1048 I1049 | Y1041-N1045 WeakPolarHBondContact O-CB 3.31Å; Y1041-N1045 VanDerWaalsContact O-CG 3.31Å; Y1041-N1045 PolarHBondContact O-N 3.36Å; Y1041-N1045 PolarHBondContact O-ND2 2.91Å; A1042-N1045 WeakPolarHBondContact O-CB 3.49Å; A1042-N1045 PolarHBondContact O-N 2.96Å; A1042-N1045 VanDerWaalsContact O-N 3.15Å; H1043-N1045 VanDerWaalsContact C-N 3.3Å; H1043-N1045 PolarHBondContact O-N 3.27Å; N1045-L1048 WeakPolarHBondContact O-CB 3.26Å; N1045-L1048 PolarHBondContact O-N 3.01Å; N1045-I1049 VanDerWaalsContact O-CG1 3.31Å; N1045-I1049 WeakPolarHBondContact O-CG1 3.46Å; N1045-I1049 PolarHBondContact O-N 2.71Å |
| 1046 | E | 83.2 | Confident | 79.5 | Confident | 92 Ų | 92 | 55.3 Ų | 55.3 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 173.3 | -71 | 175 | 160.9 | 0 | 0 | 111.3 | A1042 H1043 L1048 I1049 L1050 | A1042-E1046 WeakPolarHBondContact O-CG 3.39Å; A1042-E1046 PolarHBondContact O-N 3.03Å; H1043-E1046 IonicContact CE1-OE2 3.96Å; H1043-E1046 IonicContact ND1-OE2 3.24Å; H1043-E1046 PolarHBondContact ND1-OE2 2.87Å; H1043-E1046 PolarHBondContact O-N 3.38Å; E1046-L1048 VanDerWaalsContact C-N 3.29Å; E1046-L1048 PolarHBondContact O-N 2.88Å; E1046-I1049 PolarHBondContact O-N 3.23Å; E1046-L1050 WeakPolarHBondContact O-CB 3.47Å; E1046-L1050 PolarHBondContact O-N 2.89Å |
| 1047 | Q | 82.5 | Confident | 81.1 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 22% | 0.224 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 175.8 | -69.4 | -67.2 | -16.5 | 0 | 0 | 111.7 | H1043 F1044 L1050 N1051 | H1043-Q1047 WeakPolarHBondContact O-CG 3.39Å; H1043-Q1047 PolarHBondContact O-N 3.43Å; F1044-Q1047 PolarHBondContact O-N 3.12Å; Q1047-L1050 PolarHBondContact O-N 3.33Å; Q1047-N1051 WeakPolarHBondContact O-CB 3.33Å; Q1047-N1051 PolarHBondContact O-N 3.28Å; Q1047-N1051 PolarHBondContact O-ND2 3.48Å |
| 1048 | L | 84.2 | Confident | 82.7 | Confident | 22 Ų | 22 | 51 Ų | 51 | 12% | 0.115 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 178.7 | -168.9 | 63 | 0 | 0 | 0 | 111 | F1044 N1045 E1046 N1051 N1052 Y1065 C1068 | F1044-L1048 HydrophobicContact CE1-CD2 4.1Å; F1044-L1048 VanDerWaalsContact O-CB 3.26Å; F1044-L1048 WeakPolarHBondContact O-CB 3.48Å; F1044-L1048 PolarHBondContact O-N 3.36Å; N1045-L1048 WeakPolarHBondContact O-CB 3.26Å; N1045-L1048 PolarHBondContact O-N 3.01Å; E1046-L1048 VanDerWaalsContact C-N 3.29Å; E1046-L1048 PolarHBondContact O-N 2.88Å; L1048-N1051 PolarHBondContact O-N 2.66Å; L1048-N1052 PolarHBondContact O-N 3.02Å; L1048-Y1065 HydrophobicContact CB-CD2 4.46Å; L1048-Y1065 HydrophobicContact CD1-CD2 3.47Å; L1048-Y1065 VanDerWaalsContact CD1-CD2 3.47Å; L1048-Y1065 HydrophobicContact CD1-CE2 4.2Å; L1048-Y1065 HydrophobicContact CD1-CG 4.21Å; L1048-Y1065 HydrophobicContact CD2-CD2 4.33Å; L1048-Y1065 HydrophobicContact CD2-CE2 4.25Å; L1048-Y1065 HydrophobicContact CG-CD2 3.43Å; L1048-Y1065 VanDerWaalsContact CG-CD2 3.43Å; L1048-Y1065 HydrophobicContact CG-CE2 3.72Å; L1048-Y1065 WeakPolarHBondContact O-CD2 3.29Å; L1048-C1068 HydrophobicContact CD1-CB 3.79Å |
| 1049 | I | 86.6 | Confident | 83.9 | Confident | 122 Ų | 122 | 45.6 Ų | 45.6 | 63% | 0.626 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.3 | -44.9 | 175.1 | -66.8 | 164.6 | 0 | 0 | 0 | 110.9 | N1045 E1046 N1051 N1052 L1053 | N1045-I1049 VanDerWaalsContact O-CG1 3.31Å; N1045-I1049 WeakPolarHBondContact O-CG1 3.46Å; N1045-I1049 PolarHBondContact O-N 2.71Å; E1046-I1049 PolarHBondContact O-N 3.23Å; I1049-N1051 PolarHBondContact O-N 3.22Å; I1049-N1052 WeakPolarHBondContact O-CB 3.31Å; I1049-N1052 PolarHBondContact O-N 3.28Å; I1049-L1053 PolarHBondContact O-N 2.94Å |
| 1050 | L | 88.6 | Confident | 84.5 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 175.3 | 174.4 | 60.2 | 0 | 0 | 0 | 111.6 | L1008 R1009 I1012 E1046 Q1047 N1052 L1053 C1054 | L1008-L1050 HydrophobicContact CD2-CD1 3.38Å; R1009-L1050 HydrophobicContact CB-CD1 4.2Å; R1009-L1050 HydrophobicContact CB-CD2 4.45Å; R1009-L1050 HydrophobicContact CG-CD2 4.28Å; I1012-L1050 HydrophobicContact CB-CD2 3.89Å; I1012-L1050 HydrophobicContact CD1-CB 4.38Å; I1012-L1050 HydrophobicContact CD1-CD1 4.25Å; I1012-L1050 HydrophobicContact CD1-CD2 4.05Å; I1012-L1050 HydrophobicContact CD1-CG 4.46Å; I1012-L1050 HydrophobicContact CG2-CD2 3.83Å; E1046-L1050 WeakPolarHBondContact O-CB 3.47Å; E1046-L1050 PolarHBondContact O-N 2.89Å; Q1047-L1050 PolarHBondContact O-N 3.33Å; L1050-N1052 VanDerWaalsContact C-N 3.27Å; L1050-N1052 PolarHBondContact O-N 3.46Å; L1050-L1053 WeakPolarHBondContact O-CB 3.4Å; L1050-L1053 PolarHBondContact O-N 3.36Å; L1050-L1053 VanDerWaalsContact O-N 3.1Å; L1050-C1054 PolarHBondContact O-N 3.03Å; L1050-C1054 PolarHBondContact O-SG 3.19Å; L1050-C1054 VanDerWaalsContact O-SG 3.37Å |
| 1051 | N | 88.7 | Confident | 85.3 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 6% | 0.059 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.8 | -30.5 | -179.7 | -71 | -23.7 | 0 | 0 | 0 | 112.1 | Q1047 L1048 I1049 A1055 S1061 L1063 | Q1047-N1051 WeakPolarHBondContact O-CB 3.33Å; Q1047-N1051 PolarHBondContact O-N 3.28Å; Q1047-N1051 PolarHBondContact O-ND2 3.48Å; L1048-N1051 PolarHBondContact O-N 2.66Å; I1049-N1051 PolarHBondContact O-N 3.22Å; N1051-A1055 WeakPolarHBondContact O-CB 3.49Å; N1051-A1055 PolarHBondContact O-N 3.38Å; N1051-S1061 VanDerWaalsContact OD1-CB 3.25Å; N1051-S1061 WeakPolarHBondContact OD1-CB 3.42Å; N1051-L1063 PolarHBondContact ND2-O 3.34Å |
| 1052 | N | 90.4 | Very high | 85.8 | Confident | 44 Ų | 44 | 43.2 Ų | 43.2 | 24% | 0.235 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 170.5 | -165.4 | 18.1 | 0 | 0 | 0 | 111.8 | L1048 I1049 L1050 S1056 Y1065 | L1048-N1052 PolarHBondContact O-N 3.02Å; I1049-N1052 WeakPolarHBondContact O-CB 3.31Å; I1049-N1052 PolarHBondContact O-N 3.28Å; L1050-N1052 VanDerWaalsContact C-N 3.27Å; L1050-N1052 PolarHBondContact O-N 3.46Å; N1052-S1056 WeakPolarHBondContact O-CB 3.48Å; N1052-S1056 PolarHBondContact O-N 3.06Å; N1052-S1056 PolarHBondContact O-OG 2.92Å; N1052-Y1065 HydrophobicContact CB-CD1 3.97Å; N1052-Y1065 HydrophobicContact CB-CD2 3.59Å; N1052-Y1065 HydrophobicContact CB-CE1 4.25Å; N1052-Y1065 HydrophobicContact CB-CE2 3.9Å; N1052-Y1065 HydrophobicContact CB-CG 3.65Å; N1052-Y1065 WeakPolarHBondContact OD1-CD1 3.49Å |
| 1053 | L | 91.5 | Very high | 86.4 | Confident | 69 Ų | 69 | 41.8 Ų | 41.8 | 36% | 0.361 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63 | -48.5 | 174.6 | 179.6 | 64.6 | 0 | 0 | 0 | 111.1 | V1005 L1008 I1049 L1050 A1055 S1056 V1057 | V1005-L1053 HydrophobicContact CG1-CD2 4.22Å; V1005-L1053 HydrophobicContact CG1-CG 4Å; V1005-L1053 HydrophobicContact CG2-CD1 4.27Å; V1005-L1053 HydrophobicContact CG2-CD2 4.22Å; V1005-L1053 HydrophobicContact CG2-CG 4.09Å; L1008-L1053 HydrophobicContact CD2-CD2 4.42Å; I1049-L1053 PolarHBondContact O-N 2.94Å; L1050-L1053 WeakPolarHBondContact O-CB 3.4Å; L1050-L1053 PolarHBondContact O-N 3.36Å; L1050-L1053 VanDerWaalsContact O-N 3.1Å; L1053-A1055 PolarHBondContact O-N 3.3Å; L1053-S1056 WeakPolarHBondContact O-CB 3.39Å; L1053-S1056 PolarHBondContact O-N 3.23Å; L1053-V1057 PolarHBondContact O-N 3.27Å |
| 1054 | C | 91.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.8 | -48.9 | 175.5 | -71.8 | 0 | 0 | 0 | 0 | 111.9 | L1050 S1056 V1057 G1058 I1059 | L1050-C1054 PolarHBondContact O-N 3.03Å; L1050-C1054 PolarHBondContact O-SG 3.19Å; L1050-C1054 VanDerWaalsContact O-SG 3.37Å; C1054-S1056 VanDerWaalsContact C-N 3.25Å; C1054-S1056 PolarHBondContact O-N 3.27Å; C1054-V1057 CarbonylContact O-C 3.59Å; C1054-V1057 VanDerWaalsContact O-CG2 3.23Å; C1054-V1057 WeakPolarHBondContact O-CG2 3.27Å; C1054-V1057 PolarHBondContact O-N 3.09Å; C1054-G1058 PolarHBondContact O-N 3.19Å; C1054-I1059 CarbonylContact C-O 3.4Å; C1054-I1059 HydrophobicContact CB-CB 3.89Å; C1054-I1059 HydrophobicContact CB-CG2 4.02Å; C1054-I1059 WeakPolarHBondContact O-CB 3.41Å; C1054-I1059 PolarHBondContact O-N 3.47Å |
| 1055 | A | 90.1 | Very high | 87.6 | Confident | 15 Ų | 15 | 42.2 Ų | 42.2 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.6 | -35.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F987 N1051 L1053 V1057 G1058 | F987-A1055 HydrophobicContact CE2-CB 4.03Å; F987-A1055 HydrophobicContact CZ-CB 3.85Å; N1051-A1055 WeakPolarHBondContact O-CB 3.49Å; N1051-A1055 PolarHBondContact O-N 3.38Å; L1053-A1055 PolarHBondContact O-N 3.3Å; A1055-V1057 PolarHBondContact O-N 3.15Å; A1055-G1058 PolarHBondContact O-N 2.95Å |
| 1056 | S | 90.5 | Very high | 88.1 | Confident | 48 Ų | 48 | 39.7 Ų | 39.7 | 34% | 0.336 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.2 | -20.1 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | N1052 L1053 C1054 | N1052-S1056 WeakPolarHBondContact O-CB 3.48Å; N1052-S1056 PolarHBondContact O-N 3.06Å; N1052-S1056 PolarHBondContact O-OG 2.92Å; L1053-S1056 WeakPolarHBondContact O-CB 3.39Å; L1053-S1056 PolarHBondContact O-N 3.23Å; C1054-S1056 VanDerWaalsContact C-N 3.25Å; C1054-S1056 PolarHBondContact O-N 3.27Å |
| 1057 | V | 92.5 | Very high | 88.5 | Confident | 13 Ų | 13 | 35.3 Ų | 35.3 | 8% | 0.079 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 16.6 | 175.9 | -60.1 | 0 | 0 | 0 | 0 | 113.3 | L994 L1002 V1005 L1053 C1054 A1055 I1059 | L994-V1057 HydrophobicContact CD1-CB 3.75Å; L994-V1057 HydrophobicContact CD1-CG1 3.97Å; L1002-V1057 HydrophobicContact CD1-CB 3.98Å; L1002-V1057 HydrophobicContact CD1-CG2 3.99Å; V1005-V1057 HydrophobicContact CB-CG2 4.14Å; V1005-V1057 HydrophobicContact CG1-CG2 3.77Å; V1005-V1057 HydrophobicContact CG2-CG1 4.25Å; V1005-V1057 HydrophobicContact CG2-CG2 4.24Å; L1053-V1057 PolarHBondContact O-N 3.27Å; C1054-V1057 CarbonylContact O-C 3.59Å; C1054-V1057 VanDerWaalsContact O-CG2 3.23Å; C1054-V1057 WeakPolarHBondContact O-CG2 3.27Å; C1054-V1057 PolarHBondContact O-N 3.09Å; A1055-V1057 PolarHBondContact O-N 3.15Å; V1057-I1059 VanDerWaalsContact C-N 3.29Å; V1057-I1059 HydrophobicContact CG2-CB 4.39Å; V1057-I1059 HydrophobicContact CG2-CD1 3.55Å; V1057-I1059 HydrophobicContact CG2-CG1 3.84Å; V1057-I1059 PolarHBondContact O-N 2.75Å |
| 1058 | G | 92.3 | Very high | 88.9 | Confident | 7 Ų | 7 | 33.1 Ų | 33.1 | 7% | 0.072 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 13.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F987 C1054 A1055 | F987-G1058 CarbonylContact C-O 3.59Å; F987-G1058 WeakPolarHBondContact O-CA 3.31Å; C1054-G1058 PolarHBondContact O-N 3.19Å; A1055-G1058 PolarHBondContact O-N 2.95Å |
| 1059 | I | 90.4 | Very high | 89.2 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | trans | -85.1 | 118 | 175.4 | -64.6 | 168.4 | 0 | 0 | 0 | 108.7 | L1002 V1005 C1054 V1057 | L1002-I1059 HydrophobicContact CD1-CD1 4.04Å; L1002-I1059 HydrophobicContact CD1-CG1 4.3Å; V1005-I1059 HydrophobicContact CB-CD1 4.39Å; V1005-I1059 HydrophobicContact CG1-CD1 3.9Å; C1054-I1059 CarbonylContact C-O 3.4Å; C1054-I1059 HydrophobicContact CB-CB 3.89Å; C1054-I1059 HydrophobicContact CB-CG2 4.02Å; C1054-I1059 WeakPolarHBondContact O-CB 3.41Å; C1054-I1059 PolarHBondContact O-N 3.47Å; V1057-I1059 VanDerWaalsContact C-N 3.29Å; V1057-I1059 HydrophobicContact CG2-CB 4.39Å; V1057-I1059 HydrophobicContact CG2-CD1 3.55Å; V1057-I1059 HydrophobicContact CG2-CG1 3.84Å; V1057-I1059 PolarHBondContact O-N 2.75Å | ||
| 1060 | S | 83 | Confident | 89.4 | Confident | 71 Ų | 71 | 29.1 Ų | 29.1 | 50% | 0.497 | 17% | 0.169 | S | C | . | . | trans | -71.6 | 134.7 | 176 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1061 | S | 84.8 | Confident | 89.4 | Confident | 29 Ų | 29 | 30.1 Ų | 30.1 | 20% | 0.203 | 17% | 0.174 | C | C | . | . | trans | -120.9 | 150.6 | 171.8 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | N1051 L1063 | N1051-S1061 VanDerWaalsContact OD1-CB 3.25Å; N1051-S1061 WeakPolarHBondContact OD1-CB 3.42Å; S1061-L1063 VanDerWaalsContact C-N 3.31Å; S1061-L1063 PolarHBondContact O-N 2.93Å; S1061-L1063 PolarHBondContact OG-O 2.91Å | ||
| 1062 | D | 83.8 | Confident | 89.4 | Confident | 101 Ų | 101 | 31.7 Ų | 31.7 | 54% | 0.54 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -67.5 | -35.7 | 178 | -56.8 | -46.9 | 0 | 0 | 0 | 111.7 | V1153 P1231 | D1062-V1153 WeakPolarHBondContact O-CG1 3.42Å; D1062-P1231 HydrophobicContact CB-CB 4.09Å; D1062-P1231 HydrophobicContact CB-CG 4.18Å |
| 1063 | L | 87.2 | Confident | 89.2 | Confident | 18 Ų | 18 | 34 Ų | 34 | 9% | 0.094 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -90.1 | 117.2 | 174.7 | 179.8 | 69.9 | 0 | 0 | 0 | 110 | F1044 N1051 S1061 C1068 V1153 | F1044-L1063 HydrophobicContact CD2-CD2 4.2Å; F1044-L1063 HydrophobicContact CE2-CD1 4.19Å; F1044-L1063 HydrophobicContact CE2-CD2 3.74Å; N1051-L1063 PolarHBondContact ND2-O 3.34Å; S1061-L1063 VanDerWaalsContact C-N 3.31Å; S1061-L1063 PolarHBondContact O-N 2.93Å; S1061-L1063 PolarHBondContact OG-O 2.91Å; L1063-C1068 WeakPolarHBondContact CD1-SG 3.47Å; L1063-V1153 HydrophobicContact CB-CG1 4.05Å; L1063-V1153 HydrophobicContact CD1-CG1 3.9Å |
| 1064 | D | 89.8 | Confident | 89 | Confident | 17 Ų | 17 | 33.1 Ų | 33.1 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | trans | -87.9 | 117.5 | -178.6 | -167.7 | -75.8 | 0 | 0 | 0 | 112.3 | R983 N1066 L1067 C1068 T1150 | R983-D1064 IonicContact CZ-OD1 3.18Å; R983-D1064 IonicContact CZ-OD2 2.99Å; R983-D1064 VanDerWaalsContact CZ-OD2 3.29Å; R983-D1064 IonicContact NH1-OD1 3.03Å; R983-D1064 PolarHBondContact NH1-OD1 2.97Å; R983-D1064 VanDerWaalsContact NH1-OD1 3.08Å; R983-D1064 IonicContact NH1-OD2 2.68Å; R983-D1064 PolarHBondContact NH1-OD2 3.49Å; R983-D1064 IonicContact NH2-OD1 3.87Å; R983-D1064 IonicContact NH2-OD2 3.76Å; R983-D1064 PolarHBondContact NH2-OD2 3.42Å; D1064-N1066 PolarHBondContact OD1-N 2.74Å; D1064-L1067 HydrophobicContact CB-CB 4.05Å; D1064-L1067 PolarHBondContact OD1-N 3.41Å; D1064-C1068 WeakPolarHBondContact O-CB 3.43Å; D1064-C1068 PolarHBondContact O-N 3.44Å; D1064-C1068 PolarHBondContact O-SG 3.31Å; D1064-C1068 VanDerWaalsContact O-SG 3.35Å; D1064-T1150 HydrophobicContact CB-CG2 3.94Å | ||
| 1065 | Y | 88.7 | Confident | 88.5 | Confident | 64 Ų | 64 | 35.1 Ų | 35.1 | 25% | 0.251 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.6 | -49.7 | -179.8 | 174.5 | -97 | 0 | 0 | 0 | 113.4 | L1048 N1052 C1068 S1069 | L1048-Y1065 HydrophobicContact CB-CD2 4.46Å; L1048-Y1065 HydrophobicContact CD1-CD2 3.47Å; L1048-Y1065 VanDerWaalsContact CD1-CD2 3.47Å; L1048-Y1065 HydrophobicContact CD1-CE2 4.2Å; L1048-Y1065 HydrophobicContact CD1-CG 4.21Å; L1048-Y1065 HydrophobicContact CD2-CD2 4.33Å; L1048-Y1065 HydrophobicContact CD2-CE2 4.25Å; L1048-Y1065 HydrophobicContact CG-CD2 3.43Å; L1048-Y1065 VanDerWaalsContact CG-CD2 3.43Å; L1048-Y1065 HydrophobicContact CG-CE2 3.72Å; L1048-Y1065 WeakPolarHBondContact O-CD2 3.29Å; N1052-Y1065 HydrophobicContact CB-CD1 3.97Å; N1052-Y1065 HydrophobicContact CB-CD2 3.59Å; N1052-Y1065 HydrophobicContact CB-CE1 4.25Å; N1052-Y1065 HydrophobicContact CB-CE2 3.9Å; N1052-Y1065 HydrophobicContact CB-CG 3.65Å; N1052-Y1065 WeakPolarHBondContact OD1-CD1 3.49Å; Y1065-C1068 PolarHBondContact O-N 3.33Å; Y1065-S1069 WeakPolarHBondContact O-CB 3.37Å; Y1065-S1069 PolarHBondContact O-N 3.3Å |
| 1066 | N | 89.8 | Confident | 88.1 | Confident | 30 Ų | 30 | 37.2 Ų | 37.2 | 16% | 0.16 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.3 | -42.8 | -173.3 | -81.4 | -18 | 0 | 0 | 0 | 110.6 | D919 M922 R983 D1064 S1069 I1070 | D919-N1066 PolarHBondContact OD1-ND2 3.23Å; M922-N1066 HydrophobicContact CB-CB 4.23Å; M922-N1066 HydrophobicContact CE-CB 4.2Å; M922-N1066 HydrophobicContact CG-CB 4.06Å; R983-N1066 PolarHBondContact NH2-ND2 2.86Å; D1064-N1066 PolarHBondContact OD1-N 2.74Å; N1066-S1069 WeakPolarHBondContact O-CB 3.43Å; N1066-S1069 PolarHBondContact O-N 2.98Å; N1066-I1070 VanDerWaalsContact O-CG1 3.26Å; N1066-I1070 WeakPolarHBondContact O-CG1 3.49Å; N1066-I1070 PolarHBondContact O-N 3.36Å |
| 1067 | L | 92.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -43.4 | 176.8 | -174.7 | 58.8 | 0 | 0 | 0 | 111.9 | M922 V925 V929 D1064 S1069 I1070 L1071 T1150 L1151 | M922-L1067 HydrophobicContact CE-CB 3.84Å; V925-L1067 HydrophobicContact CG1-CD1 4.44Å; V929-L1067 HydrophobicContact CG2-CD1 4.26Å; D1064-L1067 HydrophobicContact CB-CB 4.05Å; D1064-L1067 PolarHBondContact OD1-N 3.41Å; L1067-S1069 VanDerWaalsContact C-N 3.31Å; L1067-S1069 PolarHBondContact O-N 2.88Å; L1067-I1070 PolarHBondContact O-N 3.08Å; L1067-L1071 HydrophobicContact CD1-CD1 4.43Å; L1067-L1071 HydrophobicContact CD1-CG 4.3Å; L1067-L1071 HydrophobicContact CG-CD1 4.13Å; L1067-L1071 HydrophobicContact CG-CG 4.44Å; L1067-L1071 WeakPolarHBondContact O-CB 3.43Å; L1067-L1071 VanDerWaalsContact O-CG 3.31Å; L1067-L1071 WeakPolarHBondContact O-CG 3.28Å; L1067-L1071 PolarHBondContact O-N 3.34Å; L1067-T1150 HydrophobicContact CD2-CG2 3.77Å; L1067-L1151 HydrophobicContact CD1-CD2 4.42Å; L1067-L1151 HydrophobicContact CD2-CD2 3.88Å |
| 1068 | C | 90.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 174.7 | -76.1 | 0 | 0 | 0 | 0 | 111.9 | F1044 L1048 L1063 D1064 Y1065 N1072 S1154 | F1044-C1068 HydrophobicContact CZ-CB 4.43Å; L1048-C1068 HydrophobicContact CD1-CB 3.79Å; L1063-C1068 WeakPolarHBondContact CD1-SG 3.47Å; D1064-C1068 WeakPolarHBondContact O-CB 3.43Å; D1064-C1068 PolarHBondContact O-N 3.44Å; D1064-C1068 PolarHBondContact O-SG 3.31Å; D1064-C1068 VanDerWaalsContact O-SG 3.35Å; Y1065-C1068 PolarHBondContact O-N 3.33Å; C1068-N1072 WeakPolarHBondContact O-CB 3.5Å; C1068-N1072 PolarHBondContact O-N 2.94Å; C1068-S1154 PolarHBondContact SG-OG 3.01Å |
| 1069 | S | 89 | Confident | 86.1 | Confident | 36 Ų | 36 | 39.5 Ų | 39.5 | 25% | 0.252 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61 | -47.6 | 174.9 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | Y1065 N1066 L1067 N1072 N1073 | Y1065-S1069 WeakPolarHBondContact O-CB 3.37Å; Y1065-S1069 PolarHBondContact O-N 3.3Å; N1066-S1069 WeakPolarHBondContact O-CB 3.43Å; N1066-S1069 PolarHBondContact O-N 2.98Å; L1067-S1069 VanDerWaalsContact C-N 3.31Å; L1067-S1069 PolarHBondContact O-N 2.88Å; S1069-N1072 PolarHBondContact O-N 3.25Å; S1069-N1073 VanDerWaalsContact O-CB 3.31Å; S1069-N1073 WeakPolarHBondContact O-CB 3.44Å; S1069-N1073 PolarHBondContact O-N 3.19Å; S1069-N1073 PolarHBondContact O-ND2 2.94Å |
| 1070 | I | 90.8 | Very high | 85.5 | Confident | 24 Ų | 24 | 41.3 Ų | 41.3 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.8 | -51.4 | 176.8 | -70.5 | 165.4 | 0 | 0 | 0 | 111.1 | M922 N1066 L1067 N1072 N1073 R1074 | M922-I1070 HydrophobicContact CB-CD1 4.38Å; M922-I1070 VanDerWaalsContact O-CD1 3.27Å; M922-I1070 WeakPolarHBondContact O-CD1 3.45Å; N1066-I1070 VanDerWaalsContact O-CG1 3.26Å; N1066-I1070 WeakPolarHBondContact O-CG1 3.49Å; N1066-I1070 PolarHBondContact O-N 3.36Å; L1067-I1070 PolarHBondContact O-N 3.08Å; I1070-N1072 VanDerWaalsContact C-N 3.34Å; I1070-N1072 PolarHBondContact O-N 3.43Å; I1070-N1073 PolarHBondContact O-N 3.1Å; I1070-R1074 WeakPolarHBondContact O-CB 3.43Å; I1070-R1074 VanDerWaalsContact O-CG 3.28Å; I1070-R1074 WeakPolarHBondContact O-CG 3.38Å; I1070-R1074 PolarHBondContact O-N 2.87Å |
| 1071 | L | 90 | Very high | 85.2 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 179.1 | -70.7 | 175 | 0 | 0 | 0 | 111.6 | V929 L1067 R1074 R1075 M1155 L1158 | V929-L1071 HydrophobicContact CG1-CD2 3.87Å; L1067-L1071 HydrophobicContact CD1-CD1 4.43Å; L1067-L1071 HydrophobicContact CD1-CG 4.3Å; L1067-L1071 HydrophobicContact CG-CD1 4.13Å; L1067-L1071 HydrophobicContact CG-CG 4.44Å; L1067-L1071 WeakPolarHBondContact O-CB 3.43Å; L1067-L1071 VanDerWaalsContact O-CG 3.31Å; L1067-L1071 WeakPolarHBondContact O-CG 3.28Å; L1067-L1071 PolarHBondContact O-N 3.34Å; L1071-R1074 PolarHBondContact O-N 2.71Å; L1071-R1075 WeakPolarHBondContact O-CB 3.2Å; L1071-R1075 PolarHBondContact O-N 3.4Å; L1071-M1155 HydrophobicContact CD1-CG 3.85Å; L1071-L1158 HydrophobicContact CB-CD2 3.88Å |
| 1072 | N | 87 | Confident | 84.5 | Confident | 44 Ų | 44 | 41.3 Ų | 41.3 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.9 | -41.9 | 179 | -170.7 | 53.4 | 0 | 0 | 0 | 112.2 | C1068 S1069 I1070 R1074 R1075 I1076 L1158 | C1068-N1072 WeakPolarHBondContact O-CB 3.5Å; C1068-N1072 PolarHBondContact O-N 2.94Å; S1069-N1072 PolarHBondContact O-N 3.25Å; I1070-N1072 VanDerWaalsContact C-N 3.34Å; I1070-N1072 PolarHBondContact O-N 3.43Å; N1072-R1074 VanDerWaalsContact C-N 3.34Å; N1072-R1074 PolarHBondContact O-N 2.83Å; N1072-R1075 WeakPolarHBondContact O-CB 3.22Å; N1072-R1075 PolarHBondContact O-N 3.05Å; N1072-R1075 PolarHBondContact OD1-NE 3.12Å; N1072-R1075 PolarHBondContact OD1-NH2 3.36Å; N1072-I1076 VanDerWaalsContact O-CG1 3.3Å; N1072-I1076 WeakPolarHBondContact O-CG1 3.35Å; N1072-I1076 PolarHBondContact O-N 2.93Å; N1072-L1158 HydrophobicContact CB-CD1 4.11Å; N1072-L1158 HydrophobicContact CB-CD2 4.09Å |
| 1073 | N | 87.7 | Confident | 83.6 | Confident | 92 Ų | 92 | 39.1 Ų | 39.1 | 49% | 0.492 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.8 | -40 | 176.3 | -72.2 | -23.9 | 0 | 0 | 0 | 111.5 | S1069 I1070 I1076 A1077 | S1069-N1073 VanDerWaalsContact O-CB 3.31Å; S1069-N1073 WeakPolarHBondContact O-CB 3.44Å; S1069-N1073 PolarHBondContact O-N 3.19Å; S1069-N1073 PolarHBondContact O-ND2 2.94Å; I1070-N1073 PolarHBondContact O-N 3.1Å; N1073-I1076 PolarHBondContact O-N 3.42Å; N1073-A1077 WeakPolarHBondContact O-CB 3.43Å; N1073-A1077 PolarHBondContact O-N 2.92Å |
| 1074 | R | 86.5 | Confident | 82.8 | Confident | 52 Ų | 52 | 46.5 Ų | 46.5 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | 175 | -73 | 171.3 | 178.9 | 175.8 | 0.1 | 112.6 | G926 D930 I1070 L1071 N1072 A1077 T1078 | G926-R1074 PolarHBondContact O-NH1 3.24Å; G926-R1074 PolarHBondContact O-NH2 3.4Å; D930-R1074 WeakPolarHBondContact OD1-CD 3.43Å; D930-R1074 IonicContact OD1-CZ 3.41Å; D930-R1074 IonicContact OD1-NE 3.25Å; D930-R1074 PolarHBondContact OD1-NE 3.26Å; D930-R1074 IonicContact OD1-NH1 3.26Å; D930-R1074 PolarHBondContact OD1-NH1 3.34Å; D930-R1074 IonicContact OD1-NH2 2.72Å; D930-R1074 IonicContact OD2-CZ 3.7Å; D930-R1074 IonicContact OD2-NE 2.68Å; D930-R1074 PolarHBondContact OD2-NE 2.98Å; D930-R1074 VanDerWaalsContact OD2-NE 3.11Å; D930-R1074 IonicContact OD2-NH1 2.71Å; D930-R1074 PolarHBondContact OD2-NH1 3.35Å; D930-R1074 IonicContact OD2-NH2 2.66Å; D930-R1074 PolarHBondContact OD2-NH2 3.1Å; I1070-R1074 WeakPolarHBondContact O-CB 3.43Å; I1070-R1074 VanDerWaalsContact O-CG 3.28Å; I1070-R1074 WeakPolarHBondContact O-CG 3.38Å; I1070-R1074 PolarHBondContact O-N 2.87Å; L1071-R1074 PolarHBondContact O-N 2.71Å; N1072-R1074 VanDerWaalsContact C-N 3.34Å; N1072-R1074 PolarHBondContact O-N 2.83Å; R1074-A1077 PolarHBondContact O-N 3.25Å; R1074-T1078 WeakPolarHBondContact O-CB 3.39Å; R1074-T1078 PolarHBondContact O-N 3.13Å; R1074-T1078 PolarHBondContact O-OG1 3.41Å |
| 1075 | R | 81.7 | Confident | 81.6 | Confident | 42 Ų | 42 | 49.5 Ų | 49.5 | 16% | 0.158 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60 | -47.9 | 173.4 | -176.7 | 178.7 | 70.9 | 83.2 | 3.8 | 111.3 | L1071 N1072 T1078 L1079 Y1100 E1104 | L1071-R1075 WeakPolarHBondContact O-CB 3.2Å; L1071-R1075 PolarHBondContact O-N 3.4Å; N1072-R1075 WeakPolarHBondContact O-CB 3.22Å; N1072-R1075 PolarHBondContact O-N 3.05Å; N1072-R1075 PolarHBondContact OD1-NE 3.12Å; N1072-R1075 PolarHBondContact OD1-NH2 3.36Å; R1075-T1078 PolarHBondContact O-N 3.26Å; R1075-L1079 HydrophobicContact CG-CD1 4.34Å; R1075-L1079 VanDerWaalsContact O-CG 3.31Å; R1075-L1079 WeakPolarHBondContact O-CG 3.12Å; R1075-L1079 PolarHBondContact O-N 3.31Å; R1075-Y1100 HydrophobicContact CG-CE1 4.19Å; R1075-E1104 WeakPolarHBondContact CD-OE2 3.25Å; R1075-E1104 VanDerWaalsContact CG-OE2 3.23Å; R1075-E1104 WeakPolarHBondContact CG-OE2 3.18Å |
| 1076 | I | 81.7 | Confident | 80.4 | Confident | 59 Ų | 59 | 49 Ų | 49 | 30% | 0.303 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 177.3 | -66.5 | 165.6 | 0 | 0 | 0 | 111.2 | N1072 N1073 T1078 L1079 A1080 | N1072-I1076 VanDerWaalsContact O-CG1 3.3Å; N1072-I1076 WeakPolarHBondContact O-CG1 3.35Å; N1072-I1076 PolarHBondContact O-N 2.93Å; N1073-I1076 PolarHBondContact O-N 3.42Å; I1076-T1078 VanDerWaalsContact C-N 3.33Å; I1076-T1078 PolarHBondContact O-N 2.93Å; I1076-L1079 PolarHBondContact O-N 3.35Å; I1076-A1080 WeakPolarHBondContact O-CB 3.3Å; I1076-A1080 PolarHBondContact O-N 2.93Å |
| 1077 | A | 83.4 | Confident | 79 | Confident | 55 Ų | 55 | 53 Ų | 53 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1073 R1074 A1080 T1081 | N1073-A1077 WeakPolarHBondContact O-CB 3.43Å; N1073-A1077 PolarHBondContact O-N 2.92Å; R1074-A1077 PolarHBondContact O-N 3.25Å; A1077-A1080 PolarHBondContact O-N 3.24Å; A1077-T1081 PolarHBondContact O-N 2.91Å; A1077-T1081 PolarHBondContact O-OG1 3.22Å |
| 1078 | T | 77.8 | Confident | 77.2 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 34% | 0.344 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 178.2 | -50.6 | 0 | 0 | 0 | 0 | 111.3 | R1074 R1075 I1076 A1080 T1081 A1082 Y1100 | R1074-T1078 WeakPolarHBondContact O-CB 3.39Å; R1074-T1078 PolarHBondContact O-N 3.13Å; R1074-T1078 PolarHBondContact O-OG1 3.41Å; R1075-T1078 PolarHBondContact O-N 3.26Å; I1076-T1078 VanDerWaalsContact C-N 3.33Å; I1076-T1078 PolarHBondContact O-N 2.93Å; T1078-A1080 VanDerWaalsContact C-N 3.34Å; T1078-A1080 PolarHBondContact O-N 3.37Å; T1078-T1081 WeakPolarHBondContact CA-OG1 3.12Å; T1078-T1081 PolarHBondContact O-N 3.46Å; T1078-T1081 PolarHBondContact O-OG1 2.95Å; T1078-A1082 WeakPolarHBondContact O-CB 3.26Å; T1078-A1082 PolarHBondContact O-N 2.84Å; T1078-Y1100 VanDerWaalsContact CB-OH 3.32Å; T1078-Y1100 WeakPolarHBondContact CB-OH 3.48Å; T1078-Y1100 HydrophobicContact CG2-CE2 3.84Å; T1078-Y1100 WeakPolarHBondContact CG2-OH 3.41Å |
| 1079 | L | 72.3 | Confident | 75.5 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 173.3 | -70.7 | 168.6 | 0 | 0 | 0 | 112 | R1075 I1076 A1082 N1083 L1089 Y1100 | R1075-L1079 HydrophobicContact CG-CD1 4.34Å; R1075-L1079 VanDerWaalsContact O-CG 3.31Å; R1075-L1079 WeakPolarHBondContact O-CG 3.12Å; R1075-L1079 PolarHBondContact O-N 3.31Å; I1076-L1079 PolarHBondContact O-N 3.35Å; L1079-A1082 PolarHBondContact O-N 3.49Å; L1079-N1083 VanDerWaalsContact O-CG 3.31Å; L1079-N1083 PolarHBondContact O-N 3.46Å; L1079-N1083 PolarHBondContact O-ND2 2.89Å; L1079-L1089 HydrophobicContact CD2-CB 3.98Å; L1079-L1089 HydrophobicContact CD2-CD1 4.09Å; L1079-L1089 HydrophobicContact CD2-CG 4.46Å; L1079-Y1100 HydrophobicContact CD2-CD1 3.6Å; L1079-Y1100 HydrophobicContact CD2-CE1 4.07Å; L1079-Y1100 HydrophobicContact CD2-CG 3.99Å; L1079-Y1100 HydrophobicContact CG-CD1 4.17Å; L1079-Y1100 HydrophobicContact CG-CE1 4.16Å |
| 1080 | A | 76.4 | Confident | 73.6 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | I1076 A1077 T1078 A1082 N1083 Q1084 | I1076-A1080 WeakPolarHBondContact O-CB 3.3Å; I1076-A1080 PolarHBondContact O-N 2.93Å; A1077-A1080 PolarHBondContact O-N 3.24Å; T1078-A1080 VanDerWaalsContact C-N 3.34Å; T1078-A1080 PolarHBondContact O-N 3.37Å; A1080-A1082 VanDerWaalsContact C-N 3.35Å; A1080-N1083 WeakPolarHBondContact O-CB 3.47Å; A1080-N1083 PolarHBondContact O-N 3.22Å; A1080-Q1084 WeakPolarHBondContact O-CG 3.39Å; A1080-Q1084 PolarHBondContact O-N 2.73Å |
| 1081 | T | 76.5 | Confident | 71.8 | Confident | 84 Ų | 84 | 64.1 Ų | 64.1 | 52% | 0.515 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 174.7 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | A1077 T1078 N1083 Q1084 A1085 | A1077-T1081 PolarHBondContact O-N 2.91Å; A1077-T1081 PolarHBondContact O-OG1 3.22Å; T1078-T1081 WeakPolarHBondContact CA-OG1 3.12Å; T1078-T1081 PolarHBondContact O-N 3.46Å; T1078-T1081 PolarHBondContact O-OG1 2.95Å; T1081-N1083 VanDerWaalsContact C-N 3.34Å; T1081-Q1084 PolarHBondContact O-N 3.46Å; T1081-A1085 WeakPolarHBondContact O-CB 3.47Å; T1081-A1085 PolarHBondContact O-N 3.08Å |
| 1082 | A | 69.8 | Low | 69.6 | Low | 17 Ų | 17 | 69.7 Ų | 69.7 | 14% | 0.14 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.7 | -36.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1078 L1079 A1080 A1085 G1086 L1087 L1089 | T1078-A1082 WeakPolarHBondContact O-CB 3.26Å; T1078-A1082 PolarHBondContact O-N 2.84Å; L1079-A1082 PolarHBondContact O-N 3.49Å; A1080-A1082 VanDerWaalsContact C-N 3.35Å; A1082-A1085 CarbonylContact O-C 3.54Å; A1082-A1085 PolarHBondContact O-N 3.49Å; A1082-G1086 PolarHBondContact O-N 3.07Å; A1082-L1087 HydrophobicContact CB-CB 4.41Å; A1082-L1087 HydrophobicContact CB-CD1 4.02Å; A1082-L1087 VanDerWaalsContact O-CB 3.26Å; A1082-L1087 WeakPolarHBondContact O-CB 3.43Å; A1082-L1087 PolarHBondContact O-N 2.89Å; A1082-L1089 HydrophobicContact CB-CD1 3.55Å |
| 1083 | N | 66.6 | Low | 67.5 | Low | 55 Ų | 55 | 70.1 Ų | 70.1 | 29% | 0.294 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 172.5 | -74.5 | -18.7 | 0 | 0 | 0 | 113.3 | L1079 A1080 T1081 A1085 G1086 N1088 L1089 | L1079-N1083 VanDerWaalsContact O-CG 3.31Å; L1079-N1083 PolarHBondContact O-N 3.46Å; L1079-N1083 PolarHBondContact O-ND2 2.89Å; A1080-N1083 WeakPolarHBondContact O-CB 3.47Å; A1080-N1083 PolarHBondContact O-N 3.22Å; T1081-N1083 VanDerWaalsContact C-N 3.34Å; N1083-A1085 PolarHBondContact O-N 2.99Å; N1083-G1086 PolarHBondContact O-N 3.35Å; N1083-N1088 WeakPolarHBondContact OD1-CA 3.1Å; N1083-L1089 VanDerWaalsContact CG-O 3.26Å; N1083-L1089 PolarHBondContact ND2-O 3.38Å; N1083-L1089 VanDerWaalsContact OD1-CA 3.24Å; N1083-L1089 WeakPolarHBondContact OD1-CA 3.41Å; N1083-L1089 WeakPolarHBondContact OD1-CB 3.34Å; N1083-L1089 PolarHBondContact OD1-N 3.47Å; N1083-L1089 PolarHBondContact OD1-O 2.68Å |
| 1084 | Q | 68.9 | Low | 65.4 | Low | 173 Ų | 173 | 69.7 Ų | 69.7 | 81% | 0.808 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64 | -31.8 | 174.5 | -72.2 | -178.9 | -0.1 | 0 | 0 | 111.8 | A1080 T1081 G1086 | A1080-Q1084 WeakPolarHBondContact O-CG 3.39Å; A1080-Q1084 PolarHBondContact O-N 2.73Å; T1081-Q1084 PolarHBondContact O-N 3.46Å; Q1084-G1086 PolarHBondContact O-N 3.34Å |
| 1085 | A | 65.1 | Low | 63.5 | Low | 79 Ų | 79 | 74.2 Ų | 74.2 | 65% | 0.653 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 8.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | T1081 A1082 N1083 | T1081-A1085 WeakPolarHBondContact O-CB 3.47Å; T1081-A1085 PolarHBondContact O-N 3.08Å; A1082-A1085 CarbonylContact O-C 3.54Å; A1082-A1085 PolarHBondContact O-N 3.49Å; N1083-A1085 PolarHBondContact O-N 2.99Å |
| 1086 | G | 63.5 | Low | 61.9 | Low | 55 Ų | 55 | 74.8 Ų | 74.8 | 57% | 0.567 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | 12.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A1082 N1083 Q1084 | A1082-G1086 PolarHBondContact O-N 3.07Å; N1083-G1086 PolarHBondContact O-N 3.35Å; Q1084-G1086 PolarHBondContact O-N 3.34Å |
| 1087 | L | 60.5 | Low | 60.2 | Low | 113 Ų | 113 | 73.3 Ų | 73.3 | 59% | 0.592 | 45% | 0.454 | S | S | * | . | trans | -86.8 | -2.5 | -176.2 | -63.5 | 168.4 | 0 | 0 | 0 | 115.2 | A1082 L1089 | A1082-L1087 HydrophobicContact CB-CB 4.41Å; A1082-L1087 HydrophobicContact CB-CD1 4.02Å; A1082-L1087 VanDerWaalsContact O-CB 3.26Å; A1082-L1087 WeakPolarHBondContact O-CB 3.43Å; A1082-L1087 PolarHBondContact O-N 2.89Å; L1087-L1089 VanDerWaalsContact C-N 3.3Å; L1087-L1089 HydrophobicContact CB-CD1 4.24Å; L1087-L1089 HydrophobicContact CB-CG 4.48Å; L1087-L1089 PolarHBondContact O-N 2.94Å; L1087-L1089 VanDerWaalsContact O-N 3.11Å | ||
| 1088 | N | 54.3 | Low | 58.6 | Low | 131 Ų | 131 | 75.2 Ų | 75.2 | 70% | 0.701 | 46% | 0.455 | S | S | * | . | trans | 43.3 | 45.7 | 173.2 | -79 | -14.7 | 0 | 0 | 0 | 115.7 | N1083 S1096 | N1083-N1088 WeakPolarHBondContact OD1-CA 3.1Å; N1088-S1096 PolarHBondContact O-OG 3.33Å | ||
| 1089 | L | 55.2 | Low | 58 | Low | 14 Ų | 14 | 76.3 Ų | 76.3 | 7% | 0.073 | 47% | 0.465 | C | S | . | . | trans | -82.5 | 94.1 | 168.1 | -66.1 | 159.7 | 0 | 0 | 0 | 111.3 | L1079 A1082 N1083 L1087 | L1079-L1089 HydrophobicContact CD2-CB 3.98Å; L1079-L1089 HydrophobicContact CD2-CD1 4.09Å; L1079-L1089 HydrophobicContact CD2-CG 4.46Å; A1082-L1089 HydrophobicContact CB-CD1 3.55Å; N1083-L1089 VanDerWaalsContact CG-O 3.26Å; N1083-L1089 PolarHBondContact ND2-O 3.38Å; N1083-L1089 VanDerWaalsContact OD1-CA 3.24Å; N1083-L1089 WeakPolarHBondContact OD1-CA 3.41Å; N1083-L1089 WeakPolarHBondContact OD1-CB 3.34Å; N1083-L1089 PolarHBondContact OD1-N 3.47Å; N1083-L1089 PolarHBondContact OD1-O 2.68Å; L1087-L1089 VanDerWaalsContact C-N 3.3Å; L1087-L1089 HydrophobicContact CB-CD1 4.24Å; L1087-L1089 HydrophobicContact CB-CG 4.48Å; L1087-L1089 PolarHBondContact O-N 2.94Å; L1087-L1089 VanDerWaalsContact O-N 3.11Å | ||
| 1090 | S | 50.2 | Low | 57.8 | Low | 43 Ų | 43 | 77.6 Ų | 77.6 | 30% | 0.301 | 47% | 0.47 | S | S | . | . | trans | -80.1 | 152.9 | 174.8 | 89.9 | 0 | 0 | 0 | 0 | 111.8 | N1092 N1097 | S1090-N1092 PolarHBondContact O-N 2.99Å; S1090-N1092 PolarHBondContact OG-N 3.18Å; S1090-N1092 PolarHBondContact OG-O 3.33Å; S1090-N1092 VanDerWaalsContact OG-O 3.14Å; S1090-N1097 VanDerWaalsContact O-CG 3.27Å; S1090-N1097 PolarHBondContact O-ND2 3.23Å; S1090-N1097 PolarHBondContact O-OD1 3.47Å | ||
| 1091 | L | 52.4 | Low | 57.6 | Low | 107 Ų | 107 | 78 Ų | 78 | 56% | 0.56 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -65.4 | -27.9 | 168.3 | -100.6 | 98 | 0 | 0 | 0 | 112.3 | G1093 | L1091-G1093 PolarHBondContact O-N 3.29Š|
| 1092 | N | 45 | Very low | 57.7 | Low | 143 Ų | 143 | 79 Ų | 79 | 77% | 0.765 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -94.7 | 80.4 | -173.8 | -75.5 | -1.3 | 0 | 0 | 0 | 111.8 | S1090 T1094 | S1090-N1092 PolarHBondContact O-N 2.99Å; S1090-N1092 PolarHBondContact OG-N 3.18Å; S1090-N1092 PolarHBondContact OG-O 3.33Å; S1090-N1092 VanDerWaalsContact OG-O 3.14Å; N1092-T1094 PolarHBondContact O-N 2.84Å |
| 1093 | G | 41.7 | Very low | 58.4 | Low | 53 Ų | 53 | 80.6 Ų | 80.6 | 55% | 0.546 | 47% | 0.469 | S | S | . | . | trans | 58.9 | 23.9 | 141.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | L1091 | L1091-G1093 PolarHBondContact O-N 3.29Š| ||
| 1094 | T | 44.9 | Very low | 59.4 | Low | 83 Ų | 83 | 79.4 Ų | 79.4 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | trans | -101.9 | 139.5 | 167.9 | 55.1 | 0 | 0 | 0 | 0 | 110.6 | N1092 S1096 N1097 | N1092-T1094 PolarHBondContact O-N 2.84Å; T1094-S1096 PolarHBondContact O-N 3.43Å; T1094-N1097 PolarHBondContact O-N 3.5Å | ||
| 1095 | N | 45.9 | Very low | 60.4 | Low | 148 Ų | 148 | 72.4 Ų | 72.4 | 79% | 0.791 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -49.4 | -10.1 | -158.4 | -79.6 | -9.9 | 0 | 0 | 0 | 119.6 | N1097 | N1095-N1097 VanDerWaalsContact C-N 3.32Å; N1095-N1097 PolarHBondContact O-N 3Å |
| 1096 | S | 48.1 | Very low | 61.6 | Low | 53 Ų | 53 | 71 Ų | 71 | 37% | 0.371 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -73.2 | -21.4 | 179.8 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | N1088 T1094 I1098 S1099 | N1088-S1096 PolarHBondContact O-OG 3.33Å; T1094-S1096 PolarHBondContact O-N 3.43Å; S1096-I1098 PolarHBondContact O-N 2.97Å; S1096-S1099 PolarHBondContact O-OG 3.28Å |
| 1097 | N | 46.1 | Very low | 63 | Low | 28 Ų | 28 | 68.7 Ų | 68.7 | 15% | 0.15 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -68.4 | -27.5 | -176.2 | -93.9 | 6 | 0 | 0 | 0 | 115.8 | S1090 T1094 N1095 S1099 Y1100 Q1101 | S1090-N1097 VanDerWaalsContact O-CG 3.27Å; S1090-N1097 PolarHBondContact O-ND2 3.23Å; S1090-N1097 PolarHBondContact O-OD1 3.47Å; T1094-N1097 PolarHBondContact O-N 3.5Å; N1095-N1097 VanDerWaalsContact C-N 3.32Å; N1095-N1097 PolarHBondContact O-N 3Å; N1097-S1099 PolarHBondContact O-N 3Å; N1097-S1099 VanDerWaalsContact O-N 3.13Å; N1097-Y1100 PolarHBondContact O-N 3.37Å; N1097-Y1100 VanDerWaalsContact O-N 3.15Å; N1097-Q1101 PolarHBondContact O-N 2.92Å |
| 1098 | I | 50.1 | Low | 64.6 | Low | 96 Ų | 96 | 63.3 Ų | 63.3 | 49% | 0.492 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.6 | -37.3 | -172 | -64.8 | 170.4 | 0 | 0 | 0 | 109.6 | S1096 Y1100 E1102 | S1096-I1098 PolarHBondContact O-N 2.97Å; I1098-Y1100 PolarHBondContact O-N 3.44Å; I1098-E1102 VanDerWaalsContact CG2-CD 3.41Å; I1098-E1102 HydrophobicContact CG2-CG 4.03Å; I1098-E1102 VanDerWaalsContact CG2-OE1 3.27Å; I1098-E1102 WeakPolarHBondContact CG2-OE1 3.18Å; I1098-E1102 WeakPolarHBondContact O-CB 3.49Å; I1098-E1102 WeakPolarHBondContact O-CG 3.34Å; I1098-E1102 PolarHBondContact O-N 3.41Å |
| 1099 | S | 64.8 | Low | 66.5 | Low | 79 Ų | 79 | 57 Ų | 57 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.1 | -39.7 | -179.2 | 76.9 | 0 | 0 | 0 | 0 | 114.7 | S1096 N1097 L1103 | S1096-S1099 PolarHBondContact O-OG 3.28Å; N1097-S1099 PolarHBondContact O-N 3Å; N1097-S1099 VanDerWaalsContact O-N 3.13Å; S1099-L1103 VanDerWaalsContact O-CB 3.24Å; S1099-L1103 WeakPolarHBondContact O-CB 3.45Å; S1099-L1103 PolarHBondContact O-N 2.89Å |
| 1100 | Y | 68.3 | Low | 68.5 | Low | 32 Ų | 32 | 56.4 Ų | 56.4 | 13% | 0.125 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -75.8 | -43.2 | -176.9 | -177.9 | -93.6 | 0 | 0 | 0 | 111.1 | R1075 T1078 L1079 N1097 I1098 E1102 L1103 E1104 | R1075-Y1100 HydrophobicContact CG-CE1 4.19Å; T1078-Y1100 VanDerWaalsContact CB-OH 3.32Å; T1078-Y1100 WeakPolarHBondContact CB-OH 3.48Å; T1078-Y1100 HydrophobicContact CG2-CE2 3.84Å; T1078-Y1100 WeakPolarHBondContact CG2-OH 3.41Å; L1079-Y1100 HydrophobicContact CD2-CD1 3.6Å; L1079-Y1100 HydrophobicContact CD2-CE1 4.07Å; L1079-Y1100 HydrophobicContact CD2-CG 3.99Å; L1079-Y1100 HydrophobicContact CG-CD1 4.17Å; L1079-Y1100 HydrophobicContact CG-CE1 4.16Å; N1097-Y1100 PolarHBondContact O-N 3.37Å; N1097-Y1100 VanDerWaalsContact O-N 3.15Å; I1098-Y1100 PolarHBondContact O-N 3.44Å; Y1100-E1102 VanDerWaalsContact C-N 3.35Å; Y1100-L1103 WeakPolarHBondContact O-CB 3.27Å; Y1100-L1103 PolarHBondContact O-N 3.15Å; Y1100-E1104 HydrophobicContact CD1-CG 4.26Å; Y1100-E1104 HydrophobicContact CE1-CG 3.66Å; Y1100-E1104 WeakPolarHBondContact CE1-OE1 3.3Å; Y1100-E1104 PolarHBondContact O-N 3.27Å; Y1100-E1104 PolarHBondContact OH-OE1 2.76Å |
| 1101 | Q | 70.8 | Confident | 70.6 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 24% | 0.243 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 177.2 | -172.6 | 154.3 | -10.4 | 0 | 0 | 111.7 | Y1041 N1097 L1103 E1104 Y1105 L1159 | Y1041-Q1101 PolarHBondContact OH-NE2 3.48Å; N1097-Q1101 PolarHBondContact O-N 2.92Å; Q1101-L1103 VanDerWaalsContact C-N 3.34Å; Q1101-E1104 PolarHBondContact O-N 2.86Å; Q1101-Y1105 VanDerWaalsContact O-CB 3.32Å; Q1101-Y1105 WeakPolarHBondContact O-CB 3.46Å; Q1101-Y1105 PolarHBondContact O-N 3.49Å; Q1101-L1159 PolarHBondContact NE2-O 3.29Å; Q1101-L1159 VanDerWaalsContact NE2-O 3.09Å |
| 1102 | E | 79.9 | Confident | 72.7 | Confident | 106 Ų | 106 | 49.5 Ų | 49.5 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 169.5 | -77.7 | 179.4 | 168.2 | 0 | 0 | 111.8 | I1098 Y1100 Y1105 H1106 | I1098-E1102 VanDerWaalsContact CG2-CD 3.41Å; I1098-E1102 HydrophobicContact CG2-CG 4.03Å; I1098-E1102 VanDerWaalsContact CG2-OE1 3.27Å; I1098-E1102 WeakPolarHBondContact CG2-OE1 3.18Å; I1098-E1102 WeakPolarHBondContact O-CB 3.49Å; I1098-E1102 WeakPolarHBondContact O-CG 3.34Å; I1098-E1102 PolarHBondContact O-N 3.41Å; Y1100-E1102 VanDerWaalsContact C-N 3.35Å; E1102-Y1105 PolarHBondContact O-N 3.34Å; E1102-H1106 WeakPolarHBondContact O-CB 3.29Å; E1102-H1106 PolarHBondContact O-N 3.34Å |
| 1103 | L | 84.7 | Confident | 75 | Confident | 49 Ų | 49 | 42.7 Ų | 42.7 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 176.3 | 179.5 | 63.8 | 0 | 0 | 0 | 111.8 | S1099 Y1100 Q1101 H1106 I1107 | S1099-L1103 VanDerWaalsContact O-CB 3.24Å; S1099-L1103 WeakPolarHBondContact O-CB 3.45Å; S1099-L1103 PolarHBondContact O-N 2.89Å; Y1100-L1103 WeakPolarHBondContact O-CB 3.27Å; Y1100-L1103 PolarHBondContact O-N 3.15Å; Q1101-L1103 VanDerWaalsContact C-N 3.34Å; L1103-H1106 PolarHBondContact O-N 3.35Å; L1103-I1107 HydrophobicContact CD1-CD1 4.15Å; L1103-I1107 HydrophobicContact CD1-CG1 4.43Å; L1103-I1107 HydrophobicContact CG-CD1 3.98Å; L1103-I1107 WeakPolarHBondContact O-CB 3.42Å; L1103-I1107 WeakPolarHBondContact O-CD1 3.5Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.49Å; L1103-I1107 PolarHBondContact O-N 2.91Å |
| 1104 | E | 86.1 | Confident | 77.7 | Confident | 30 Ų | 30 | 40.1 Ų | 40.1 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.5 | -43 | 176.4 | -75.2 | -168.7 | 154 | 0 | 0 | 112.1 | R1075 Y1100 Q1101 H1106 I1107 A1108 L1159 | R1075-E1104 WeakPolarHBondContact CD-OE2 3.25Å; R1075-E1104 VanDerWaalsContact CG-OE2 3.23Å; R1075-E1104 WeakPolarHBondContact CG-OE2 3.18Å; Y1100-E1104 HydrophobicContact CD1-CG 4.26Å; Y1100-E1104 HydrophobicContact CE1-CG 3.66Å; Y1100-E1104 WeakPolarHBondContact CE1-OE1 3.3Å; Y1100-E1104 PolarHBondContact O-N 3.27Å; Y1100-E1104 PolarHBondContact OH-OE1 2.76Å; Q1101-E1104 PolarHBondContact O-N 2.86Å; E1104-H1106 VanDerWaalsContact C-N 3.32Å; E1104-H1106 PolarHBondContact O-N 2.65Å; E1104-I1107 PolarHBondContact O-N 2.88Å; E1104-A1108 WeakPolarHBondContact O-CB 3.41Å; E1104-A1108 PolarHBondContact O-N 2.99Å; E1104-L1159 HydrophobicContact CB-CD1 4.47Å; E1104-L1159 HydrophobicContact CB-CD2 3.74Å |
| 1105 | Y | 90.3 | Very high | 80.1 | Confident | 26 Ų | 26 | 36.2 Ų | 36.2 | 10% | 0.102 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 173.9 | 177 | -91.5 | 0 | 0 | 0 | 111.8 | Q1101 E1102 A1108 C1109 F1156 L1159 R1160 D1163 R1167 | Q1101-Y1105 VanDerWaalsContact O-CB 3.32Å; Q1101-Y1105 WeakPolarHBondContact O-CB 3.46Å; Q1101-Y1105 PolarHBondContact O-N 3.49Å; E1102-Y1105 PolarHBondContact O-N 3.34Å; Y1105-A1108 WeakPolarHBondContact O-CB 3.35Å; Y1105-A1108 PolarHBondContact O-N 2.78Å; Y1105-C1109 WeakPolarHBondContact CE1-SG 3.45Å; Y1105-C1109 PolarHBondContact O-N 2.94Å; Y1105-C1109 PolarHBondContact O-SG 2.97Å; Y1105-F1156 HydrophobicContact CD2-CD1 4.38Å; Y1105-F1156 HydrophobicContact CE2-CD1 4.01Å; Y1105-F1156 HydrophobicContact CE2-CE1 4.2Å; Y1105-L1159 HydrophobicContact CD2-CB 4.24Å; Y1105-R1160 HydrophobicContact CD2-CB 3.84Å; Y1105-R1160 HydrophobicContact CE2-CB 3.78Å; Y1105-D1163 HydrophobicContact CE2-CB 4.25Å; Y1105-D1163 PolarHBondContact OH-OD2 3.24Å; Y1105-R1167 PolarHBondContact OH-NE 3.33Å |
| 1106 | H | 91.6 | Very high | 82.4 | Confident | 49 Ų | 49 | 29.1 Ų | 29.1 | 23% | 0.227 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 175 | -176.1 | 59.3 | 0 | 0 | 0 | 111.1 | E944 E1102 L1103 E1104 A1108 C1109 L1110 | E944-H1106 WeakPolarHBondContact CG-NE2 3.15Å; E944-H1106 IonicContact OE1-CD2 3.25Å; E944-H1106 IonicContact OE1-CE1 3.49Å; E944-H1106 IonicContact OE1-NE2 3.47Å; E944-H1106 PolarHBondContact OE1-NE2 3Å; E1102-H1106 WeakPolarHBondContact O-CB 3.29Å; E1102-H1106 PolarHBondContact O-N 3.34Å; L1103-H1106 PolarHBondContact O-N 3.35Å; E1104-H1106 VanDerWaalsContact C-N 3.32Å; E1104-H1106 PolarHBondContact O-N 2.65Å; H1106-A1108 VanDerWaalsContact C-N 3.32Å; H1106-A1108 PolarHBondContact O-N 3.25Å; H1106-C1109 CarbonylContact O-C 3.58Å; H1106-C1109 WeakPolarHBondContact O-CA 3.1Å; H1106-C1109 WeakPolarHBondContact O-CB 3.4Å; H1106-C1109 PolarHBondContact O-N 3.28Å; H1106-C1109 VanDerWaalsContact O-N 3.07Å; H1106-L1110 WeakPolarHBondContact O-CG 3.49Å; H1106-L1110 PolarHBondContact O-N 3.24Å |
| 1107 | I | 92 | Very high | 84.6 | Confident | 7 Ų | 7 | 26.7 Ų | 26.7 | 4% | 0.036 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -40.2 | 175 | -69.6 | 166.2 | 0 | 0 | 0 | 111.3 | V936 R937 L1103 E1104 C1109 L1110 F1111 | V936-I1107 HydrophobicContact CB-CG2 4.44Å; V936-I1107 HydrophobicContact CG1-CG2 3.88Å; R937-I1107 HydrophobicContact CG-CD1 4.12Å; R937-I1107 VanDerWaalsContact NH1-CD1 3.28Å; R937-I1107 VanDerWaalsContact NH2-CD1 3.33Å; L1103-I1107 HydrophobicContact CD1-CD1 4.15Å; L1103-I1107 HydrophobicContact CD1-CG1 4.43Å; L1103-I1107 HydrophobicContact CG-CD1 3.98Å; L1103-I1107 WeakPolarHBondContact O-CB 3.42Å; L1103-I1107 WeakPolarHBondContact O-CD1 3.5Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.49Å; L1103-I1107 PolarHBondContact O-N 2.91Å; E1104-I1107 PolarHBondContact O-N 2.88Å; I1107-C1109 VanDerWaalsContact C-N 3.29Å; I1107-C1109 PolarHBondContact O-N 3.42Å; I1107-L1110 PolarHBondContact O-N 3.05Å; I1107-L1110 VanDerWaalsContact O-N 3.17Å; I1107-F1111 WeakPolarHBondContact O-CB 3.32Å; I1107-F1111 PolarHBondContact O-N 3.38Å |
| 1108 | A | 93.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.3 | -37.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1104 Y1105 H1106 F1111 I1112 M1155 F1156 L1159 | E1104-A1108 WeakPolarHBondContact O-CB 3.41Å; E1104-A1108 PolarHBondContact O-N 2.99Å; Y1105-A1108 WeakPolarHBondContact O-CB 3.35Å; Y1105-A1108 PolarHBondContact O-N 2.78Å; H1106-A1108 VanDerWaalsContact C-N 3.32Å; H1106-A1108 PolarHBondContact O-N 3.25Å; A1108-F1111 WeakPolarHBondContact O-CB 3.44Å; A1108-F1111 PolarHBondContact O-N 3Å; A1108-I1112 PolarHBondContact O-N 3.5Å; A1108-M1155 VanDerWaalsContact CA-CE 3.46Å; A1108-M1155 HydrophobicContact CB-CB 4.49Å; A1108-M1155 HydrophobicContact CB-CE 3.37Å; A1108-F1156 HydrophobicContact CB-CD1 4.49Å; A1108-F1156 HydrophobicContact CB-CE1 3.76Å; A1108-F1156 HydrophobicContact CB-CZ 4.1Å; A1108-L1159 HydrophobicContact CB-CD1 3.68Å |
| 1109 | C | 94.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.9 | -39.9 | 172.3 | -64 | 0 | 0 | 0 | 0 | 112.4 | R947 Y1105 H1106 I1107 F1111 I1112 V1113 | R947-C1109 PolarHBondContact NH2-SG 2.97Å; R947-C1109 VanDerWaalsContact NH2-SG 3.41Å; Y1105-C1109 WeakPolarHBondContact CE1-SG 3.45Å; Y1105-C1109 PolarHBondContact O-N 2.94Å; Y1105-C1109 PolarHBondContact O-SG 2.97Å; H1106-C1109 CarbonylContact O-C 3.58Å; H1106-C1109 WeakPolarHBondContact O-CA 3.1Å; H1106-C1109 WeakPolarHBondContact O-CB 3.4Å; H1106-C1109 PolarHBondContact O-N 3.28Å; H1106-C1109 VanDerWaalsContact O-N 3.07Å; I1107-C1109 VanDerWaalsContact C-N 3.29Å; I1107-C1109 PolarHBondContact O-N 3.42Å; C1109-F1111 VanDerWaalsContact C-N 3.26Å; C1109-F1111 PolarHBondContact O-N 3.22Å; C1109-I1112 WeakPolarHBondContact O-CG1 3.41Å; C1109-I1112 PolarHBondContact O-N 3.38Å; C1109-V1113 WeakPolarHBondContact O-CG2 3.48Å; C1109-V1113 PolarHBondContact O-N 3.1Å |
| 1110 | L | 96.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.2 | -30.2 | 176.4 | -63.2 | -177.2 | 0 | 0 | 0 | 111.8 | V936 R940 L943 E944 H1106 I1107 V1113 F1114 | V936-L1110 HydrophobicContact CG1-CB 3.82Å; R940-L1110 HydrophobicContact CB-CD1 4.37Å; R940-L1110 HydrophobicContact CG-CD1 3.72Å; L943-L1110 HydrophobicContact CB-CB 4.09Å; L943-L1110 HydrophobicContact CB-CD1 4.39Å; L943-L1110 HydrophobicContact CB-CD2 3.87Å; L943-L1110 HydrophobicContact CB-CG 4.33Å; L943-L1110 HydrophobicContact CD1-CB 4.13Å; E944-L1110 HydrophobicContact CG-CD1 3.95Å; E944-L1110 HydrophobicContact CG-CD2 3.9Å; H1106-L1110 WeakPolarHBondContact O-CG 3.49Å; H1106-L1110 PolarHBondContact O-N 3.24Å; I1107-L1110 PolarHBondContact O-N 3.05Å; I1107-L1110 VanDerWaalsContact O-N 3.17Å; L1110-V1113 PolarHBondContact O-N 3.19Å; L1110-F1114 WeakPolarHBondContact O-CB 3.48Å; L1110-F1114 PolarHBondContact O-N 3.38Å |
| 1111 | F | 96.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.9 | -48.9 | 173.2 | 165.1 | -106.9 | 0 | 0 | 0 | 112.2 | I932 V936 L973 I1107 A1108 C1109 V1113 F1114 I1115 L1151 M1155 | I932-F1111 HydrophobicContact CG2-CD2 3.63Å; I932-F1111 HydrophobicContact CG2-CE2 3.52Å; V936-F1111 HydrophobicContact CG2-CB 3.95Å; V936-F1111 HydrophobicContact CG2-CD2 4.08Å; L973-F1111 HydrophobicContact CD2-CE2 4.24Å; L973-F1111 HydrophobicContact CD2-CZ 4.22Å; I1107-F1111 WeakPolarHBondContact O-CB 3.32Å; I1107-F1111 PolarHBondContact O-N 3.38Å; A1108-F1111 WeakPolarHBondContact O-CB 3.44Å; A1108-F1111 PolarHBondContact O-N 3Å; C1109-F1111 VanDerWaalsContact C-N 3.26Å; C1109-F1111 PolarHBondContact O-N 3.22Å; F1111-V1113 VanDerWaalsContact C-N 3.3Å; F1111-V1113 PolarHBondContact O-N 2.94Å; F1111-F1114 WeakPolarHBondContact O-CB 3.42Å; F1111-F1114 PolarHBondContact O-N 3.33Å; F1111-F1114 VanDerWaalsContact O-N 3.14Å; F1111-I1115 HydrophobicContact CD1-CD1 3.97Å; F1111-I1115 HydrophobicContact CD2-CD1 3.87Å; F1111-I1115 HydrophobicContact CD2-CG1 4.27Å; F1111-I1115 HydrophobicContact CE1-CD1 3.45Å; F1111-I1115 VanDerWaalsContact CE1-CD1 3.45Å; F1111-I1115 HydrophobicContact CE2-CD1 3.31Å; F1111-I1115 HydrophobicContact CE2-CG1 3.94Å; F1111-I1115 HydrophobicContact CG-CD1 4.18Å; F1111-I1115 HydrophobicContact CZ-CD1 3.1Å; F1111-I1115 HydrophobicContact CZ-CG1 4.21Å; F1111-I1115 WeakPolarHBondContact O-CG1 3.41Å; F1111-I1115 PolarHBondContact O-N 3.03Å; F1111-L1151 HydrophobicContact CE1-CB 3.97Å; F1111-L1151 HydrophobicContact CE1-CD1 4.47Å; F1111-L1151 HydrophobicContact CE2-CD1 4.35Å; F1111-L1151 HydrophobicContact CZ-CB 3.98Å; F1111-L1151 HydrophobicContact CZ-CD1 3.64Å; F1111-L1151 HydrophobicContact CZ-CG 4.42Å; F1111-M1155 HydrophobicContact CB-CE 4.43Å; F1111-M1155 HydrophobicContact CD1-CE 4.09Å; F1111-M1155 HydrophobicContact CD1-SD 4.08Å; F1111-M1155 HydrophobicContact CE1-SD 4.13Å; F1111-M1155 HydrophobicContact CG-CE 4.4Å |
| 1112 | I | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.4 | -35.6 | 177.5 | 60.4 | 165.9 | 0 | 0 | 0 | 112.1 | A1108 C1109 F1114 A1116 M1152 F1156 R1167 E1170 F1171 | A1108-I1112 PolarHBondContact O-N 3.5Å; C1109-I1112 WeakPolarHBondContact O-CG1 3.41Å; C1109-I1112 PolarHBondContact O-N 3.38Å; I1112-F1114 VanDerWaalsContact C-N 3.34Å; I1112-A1116 WeakPolarHBondContact O-CB 3.35Å; I1112-A1116 PolarHBondContact O-N 2.93Å; I1112-M1152 HydrophobicContact CG2-CE 3.98Å; I1112-M1152 HydrophobicContact CG2-CG 3.78Å; I1112-M1152 HydrophobicContact CG2-SD 3.67Å; I1112-F1156 HydrophobicContact CG2-CE2 3.96Å; I1112-F1156 HydrophobicContact CG2-CZ 4.2Å; I1112-R1167 HydrophobicContact CD1-CB 4.17Å; I1112-E1170 HydrophobicContact CD1-CB 4.36Å; I1112-E1170 HydrophobicContact CD1-CG 4.24Å; I1112-F1171 HydrophobicContact CB-CB 4.34Å; I1112-F1171 HydrophobicContact CB-CD2 4.12Å; I1112-F1171 HydrophobicContact CD1-CB 4.48Å |
| 1113 | V | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 174.4 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | L943 L946 R947 C1109 L1110 F1111 A1116 N1117 L1174 | L943-V1113 HydrophobicContact CD2-CG1 4.22Å; L946-V1113 HydrophobicContact CB-CG1 3.88Å; R947-V1113 HydrophobicContact CB-CG1 4.43Å; R947-V1113 HydrophobicContact CB-CG2 3.91Å; R947-V1113 HydrophobicContact CG-CG2 3.77Å; C1109-V1113 WeakPolarHBondContact O-CG2 3.48Å; C1109-V1113 PolarHBondContact O-N 3.1Å; L1110-V1113 PolarHBondContact O-N 3.19Å; F1111-V1113 VanDerWaalsContact C-N 3.3Å; F1111-V1113 PolarHBondContact O-N 2.94Å; V1113-A1116 PolarHBondContact O-N 3.3Å; V1113-N1117 PolarHBondContact O-N 2.73Å; V1113-N1117 VanDerWaalsContact O-N 3.14Å; V1113-N1117 PolarHBondContact O-ND2 3.5Å; V1113-L1174 HydrophobicContact CB-CD1 4.46Å; V1113-L1174 HydrophobicContact CG2-CD1 3.85Å |
| 1114 | F | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.5 | -47.5 | -179.5 | -162.3 | -179.7 | 0 | 0 | 0 | 111 | L935 V936 N939 L943 L963 Q964 L969 L1110 F1111 I1112 N1117 A1118 | L935-F1114 HydrophobicContact CB-CE1 4.02Å; V936-F1114 HydrophobicContact CG2-CD1 3.99Å; N939-F1114 HydrophobicContact CB-CE1 4.31Å; N939-F1114 HydrophobicContact CB-CZ 4.4Å; N939-F1114 WeakPolarHBondContact ND2-CZ 3.35Å; L943-F1114 HydrophobicContact CD1-CB 3.85Å; L943-F1114 HydrophobicContact CD1-CD1 3.91Å; L943-F1114 HydrophobicContact CD1-CG 3.94Å; L943-F1114 VanDerWaalsContact CD2-CA 3.46Å; L943-F1114 HydrophobicContact CD2-CB 3.5Å; L943-F1114 HydrophobicContact CD2-CD2 3.97Å; L943-F1114 HydrophobicContact CD2-CG 3.77Å; L943-F1114 HydrophobicContact CG-CB 4.35Å; L943-F1114 HydrophobicContact CG-CG 4.46Å; L963-F1114 HydrophobicContact CB-CE2 4.31Å; L963-F1114 HydrophobicContact CD1-CD2 4.12Å; L963-F1114 HydrophobicContact CD1-CE2 4.21Å; L963-F1114 HydrophobicContact CD2-CD2 4.19Å; L963-F1114 HydrophobicContact CD2-CE2 4.11Å; L963-F1114 HydrophobicContact CG-CE2 4.47Å; Q964-F1114 WeakPolarHBondContact O-CZ 3.44Å; L969-F1114 HydrophobicContact CB-CZ 4.5Å; L969-F1114 HydrophobicContact CD2-CB 4.21Å; L969-F1114 HydrophobicContact CD2-CD1 3.7Å; L969-F1114 HydrophobicContact CD2-CD2 3.66Å; L969-F1114 HydrophobicContact CD2-CE1 3.9Å; L969-F1114 HydrophobicContact CD2-CE2 3.85Å; L969-F1114 HydrophobicContact CD2-CG 3.56Å; L969-F1114 HydrophobicContact CD2-CZ 3.96Å; L1110-F1114 WeakPolarHBondContact O-CB 3.48Å; L1110-F1114 PolarHBondContact O-N 3.38Å; F1111-F1114 WeakPolarHBondContact O-CB 3.42Å; F1111-F1114 PolarHBondContact O-N 3.33Å; F1111-F1114 VanDerWaalsContact O-N 3.14Å; I1112-F1114 VanDerWaalsContact C-N 3.34Å; F1114-N1117 PolarHBondContact O-N 2.89Å; F1114-A1118 VanDerWaalsContact O-CB 3.31Å; F1114-A1118 WeakPolarHBondContact O-CB 3.47Å; F1114-A1118 PolarHBondContact O-N 3.3Å |
| 1115 | I | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.4 | -51.6 | 176.1 | -63.7 | 165.8 | 0 | 0 | 0 | 110.4 | L973 F1111 N1117 A1118 F1119 I1148 F1171 | L973-I1115 HydrophobicContact CD1-CD1 4.32Å; L973-I1115 HydrophobicContact CD1-CG1 3.85Å; L973-I1115 HydrophobicContact CD1-CG2 4.46Å; L973-I1115 HydrophobicContact CD2-CD1 4.39Å; F1111-I1115 HydrophobicContact CD1-CD1 3.97Å; F1111-I1115 HydrophobicContact CD2-CD1 3.87Å; F1111-I1115 HydrophobicContact CD2-CG1 4.27Å; F1111-I1115 HydrophobicContact CE1-CD1 3.45Å; F1111-I1115 VanDerWaalsContact CE1-CD1 3.45Å; F1111-I1115 HydrophobicContact CE2-CD1 3.31Å; F1111-I1115 HydrophobicContact CE2-CG1 3.94Å; F1111-I1115 HydrophobicContact CG-CD1 4.18Å; F1111-I1115 HydrophobicContact CZ-CD1 3.1Å; F1111-I1115 HydrophobicContact CZ-CG1 4.21Å; F1111-I1115 WeakPolarHBondContact O-CG1 3.41Å; F1111-I1115 PolarHBondContact O-N 3.03Å; I1115-N1117 PolarHBondContact O-N 2.75Å; I1115-N1117 VanDerWaalsContact O-N 3.12Å; I1115-A1118 PolarHBondContact O-N 3.46Å; I1115-A1118 VanDerWaalsContact O-N 3.08Å; I1115-F1119 VanDerWaalsContact O-CB 3.23Å; I1115-F1119 WeakPolarHBondContact O-CB 3.42Å; I1115-F1119 PolarHBondContact O-N 2.99Å; I1115-I1148 HydrophobicContact CD1-CG1 4.02Å; I1115-I1148 HydrophobicContact CG2-CD1 3.45Å; I1115-I1148 VanDerWaalsContact CG2-CD1 3.45Å; I1115-I1148 HydrophobicContact CG2-CG1 3.97Å; I1115-F1171 HydrophobicContact CB-CE2 4.07Å; I1115-F1171 HydrophobicContact CG2-CE2 3.72Å; I1115-F1171 HydrophobicContact CG2-CZ 4.15Å |
| 1116 | A | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.2 | -29.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1112 V1113 F1171 L1174 A1175 N1178 | I1112-A1116 WeakPolarHBondContact O-CB 3.35Å; I1112-A1116 PolarHBondContact O-N 2.93Å; V1113-A1116 PolarHBondContact O-N 3.3Å; A1116-F1171 HydrophobicContact CB-CD2 4.1Å; A1116-F1171 HydrophobicContact CB-CE2 4.06Å; A1116-L1174 HydrophobicContact CB-CB 3.55Å; A1116-A1175 HydrophobicContact CB-CB 4.25Å; A1116-N1178 PolarHBondContact O-ND2 3.44Å |
| 1117 | N | 93.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.011 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -87 | -30.1 | 176.1 | -75.1 | -78.5 | 0 | 0 | 0 | 113.7 | N960 L963 V1113 F1114 I1115 N1178 | N960-N1117 PolarHBondContact ND2-O 2.84Å; L963-N1117 HydrophobicContact CD1-CB 3.75Å; V1113-N1117 PolarHBondContact O-N 2.73Å; V1113-N1117 VanDerWaalsContact O-N 3.14Å; V1113-N1117 PolarHBondContact O-ND2 3.5Å; F1114-N1117 PolarHBondContact O-N 2.89Å; I1115-N1117 PolarHBondContact O-N 2.75Å; I1115-N1117 VanDerWaalsContact O-N 3.12Å; N1117-N1178 WeakPolarHBondContact CA-ND2 3.41Å; N1117-N1178 PolarHBondContact OD1-ND2 3.36Å |
| 1118 | A | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -78.4 | -32.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C966 L969 L970 F1114 I1115 P1120 R1121 | C966-A1118 HydrophobicContact CB-CB 4.11Å; L969-A1118 HydrophobicContact CD2-CB 4.05Å; L970-A1118 HydrophobicContact CD2-CB 4.31Å; L970-A1118 HydrophobicContact CG-CB 4.38Å; F1114-A1118 VanDerWaalsContact O-CB 3.31Å; F1114-A1118 WeakPolarHBondContact O-CB 3.47Å; F1114-A1118 PolarHBondContact O-N 3.3Å; I1115-A1118 PolarHBondContact O-N 3.46Å; I1115-A1118 VanDerWaalsContact O-N 3.08Å; A1118-P1120 VanDerWaalsContact C-CD 3.49Å; A1118-R1121 WeakPolarHBondContact O-CB 3.48Å; A1118-R1121 WeakPolarHBondContact O-CG 3.36Å; A1118-R1121 PolarHBondContact O-N 2.98Å |
| 1119 | F | 93.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -53.1 | -42.7 | -172 | -169.2 | -100.5 | 0 | 0 | 0 | 115.1 | I1115 R1121 L1122 L1179 I1219 V1222 F1223 | I1115-F1119 VanDerWaalsContact O-CB 3.23Å; I1115-F1119 WeakPolarHBondContact O-CB 3.42Å; I1115-F1119 PolarHBondContact O-N 2.99Å; F1119-R1121 PolarHBondContact O-N 3.28Å; F1119-R1121 VanDerWaalsContact O-N 3.1Å; F1119-L1122 HydrophobicContact CD2-CD1 3.91Å; F1119-L1122 HydrophobicContact CE2-CD1 3.96Å; F1119-L1122 WeakPolarHBondContact O-CB 3.47Å; F1119-L1122 WeakPolarHBondContact O-CG 3.35Å; F1119-L1122 PolarHBondContact O-N 3.16Å; F1119-L1179 HydrophobicContact CD1-CD1 4.21Å; F1119-L1179 HydrophobicContact CD1-CD2 4.03Å; F1119-L1179 HydrophobicContact CD1-CG 4.35Å; F1119-L1179 HydrophobicContact CE1-CD1 4.04Å; F1119-L1179 HydrophobicContact CE1-CD2 4.24Å; F1119-I1219 HydrophobicContact CD1-CG2 4.02Å; F1119-I1219 HydrophobicContact CE1-CG2 3.55Å; F1119-I1219 HydrophobicContact CZ-CG2 4.15Å; F1119-V1222 HydrophobicContact CE2-CG1 4Å; F1119-V1222 HydrophobicContact CZ-CB 4.14Å; F1119-V1222 HydrophobicContact CZ-CG1 3.71Å; F1119-F1223 HydrophobicContact CE1-CB 4.04Å; F1119-F1223 HydrophobicContact CE1-CD2 4.3Å; F1119-F1223 HydrophobicContact CZ-CB 4.37Å |
| 1120 | P | 91.2 | Very high | 91.1 | Very high | 13 Ų | 13 | 21.7 Ų | 21.7 | 8% | 0.084 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -62 | -19 | 176.3 | -20.1 | 30.5 | 0 | 0 | 0 | 114.7 | A1118 L1122 A1123 N1178 L1179 L1182 | A1118-P1120 VanDerWaalsContact C-CD 3.49Å; P1120-L1122 PolarHBondContact O-N 3.21Å; P1120-A1123 WeakPolarHBondContact O-CB 3.17Å; P1120-A1123 PolarHBondContact O-N 3.2Å; P1120-N1178 HydrophobicContact CG-CB 3.74Å; P1120-L1179 HydrophobicContact CG-CD2 4.44Å; P1120-L1182 HydrophobicContact CB-CB 4.35Å; P1120-L1182 HydrophobicContact CB-CD1 4.4Å; P1120-L1182 HydrophobicContact CB-CD2 4.19Å |
| 1121 | R | 91.3 | Very high | 90.8 | Very high | 51 Ų | 51 | 24.5 Ų | 24.5 | 19% | 0.192 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -65.4 | -24.4 | 178.7 | -61.1 | -176.9 | 177.3 | -151.1 | 4.3 | 112.1 | N960 C966 L970 A1118 F1119 A1123 R1124 | N960-R1121 PolarHBondContact O-NH2 3.36Å; C966-R1121 PolarHBondContact SG-NH1 2.91Å; C966-R1121 PolarHBondContact SG-NH2 3.03Å; C966-R1121 VanDerWaalsContact SG-NH2 3.42Å; L970-R1121 HydrophobicContact CD1-CB 4.16Å; A1118-R1121 WeakPolarHBondContact O-CB 3.48Å; A1118-R1121 WeakPolarHBondContact O-CG 3.36Å; A1118-R1121 PolarHBondContact O-N 2.98Å; F1119-R1121 PolarHBondContact O-N 3.28Å; F1119-R1121 VanDerWaalsContact O-N 3.1Å; R1121-A1123 PolarHBondContact O-N 3.1Å; R1121-A1123 VanDerWaalsContact O-N 3.16Å; R1121-R1124 WeakPolarHBondContact O-CB 3.44Å; R1121-R1124 PolarHBondContact O-N 2.94Å |
| 1122 | L | 91.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -56.7 | -30.6 | 174.4 | -66.2 | 171.2 | 0 | 0 | 0 | 112.4 | L970 F1119 P1120 R1124 Q1125 S1128 C1141 I1144 I1219 | L970-L1122 HydrophobicContact CB-CD2 4.33Å; L970-L1122 HydrophobicContact CD1-CD2 3.91Å; L970-L1122 HydrophobicContact CD1-CG 4.09Å; L970-L1122 HydrophobicContact CD2-CD1 4.35Å; L970-L1122 HydrophobicContact CD2-CD2 4.19Å; L970-L1122 HydrophobicContact CD2-CG 4.15Å; L970-L1122 HydrophobicContact CG-CD2 4.37Å; F1119-L1122 HydrophobicContact CD2-CD1 3.91Å; F1119-L1122 HydrophobicContact CE2-CD1 3.96Å; F1119-L1122 WeakPolarHBondContact O-CB 3.47Å; F1119-L1122 WeakPolarHBondContact O-CG 3.35Å; F1119-L1122 PolarHBondContact O-N 3.16Å; P1120-L1122 PolarHBondContact O-N 3.21Å; L1122-R1124 PolarHBondContact O-N 3.31Å; L1122-Q1125 PolarHBondContact O-N 2.8Å; L1122-S1128 VanDerWaalsContact O-CB 3.29Å; L1122-S1128 WeakPolarHBondContact O-CB 3.43Å; L1122-S1128 PolarHBondContact O-OG 2.59Å; L1122-C1141 HydrophobicContact CD1-CB 4.29Å; L1122-C1141 HydrophobicContact CD2-CB 4.02Å; L1122-I1144 HydrophobicContact CD1-CD1 3.86Å; L1122-I1144 HydrophobicContact CD2-CD1 4.04Å; L1122-I1219 HydrophobicContact CB-CD1 3.44Å; L1122-I1219 VanDerWaalsContact CB-CD1 3.44Å; L1122-I1219 HydrophobicContact CB-CG1 3.97Å; L1122-I1219 HydrophobicContact CD1-CD1 4.46Å |
| 1123 | A | 87.7 | Confident | 90.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -70.3 | -12.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1120 R1121 L1182 V1213 K1214 H1215 I1219 | P1120-A1123 WeakPolarHBondContact O-CB 3.17Å; P1120-A1123 PolarHBondContact O-N 3.2Å; R1121-A1123 PolarHBondContact O-N 3.1Å; R1121-A1123 VanDerWaalsContact O-N 3.16Å; A1123-L1182 HydrophobicContact CB-CD1 4.47Å; A1123-L1182 HydrophobicContact CB-CD2 3.55Å; A1123-V1213 HydrophobicContact CB-CG1 3.77Å; A1123-K1214 PolarHBondContact O-N 3.17Å; A1123-H1215 PolarHBondContact O-N 3.33Å; A1123-H1215 VanDerWaalsContact O-N 3.15Å; A1123-I1219 HydrophobicContact CB-CB 4.46Å; A1123-I1219 HydrophobicContact CB-CG1 3.69Å |
| 1124 | R | 85.6 | Confident | 90.2 | Very high | 105 Ų | 105 | 31.6 Ų | 31.6 | 40% | 0.396 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -95.7 | -9.6 | 179 | -58.5 | -179 | -177.6 | 171.5 | -0.5 | 112.8 | R1121 L1122 L1211 V1213 | R1121-R1124 WeakPolarHBondContact O-CB 3.44Å; R1121-R1124 PolarHBondContact O-N 2.94Å; L1122-R1124 PolarHBondContact O-N 3.31Å; R1124-L1211 HydrophobicContact CB-CD2 3.92Å; R1124-V1213 HydrophobicContact CG-CG2 4.36Å |
| 1125 | Q | 85.8 | Confident | 90 | Very high | 56 Ų | 56 | 35.7 Ų | 35.7 | 26% | 0.262 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -82.2 | 127.3 | 176.6 | -65 | 178 | -27.1 | 0 | 0 | 109.5 | L1122 S1127 S1128 N1139 H1215 | L1122-Q1125 PolarHBondContact O-N 2.8Å; Q1125-S1127 PolarHBondContact O-N 2.99Å; Q1125-S1128 PolarHBondContact O-N 3.01Å; Q1125-N1139 PolarHBondContact OE1-ND2 3.43Å; Q1125-H1215 PolarHBondContact O-CD2 2.98Å |
| 1126 | D | 77.2 | Confident | 90 | Very high | 109 Ų | 109 | 35.7 Ų | 35.7 | 58% | 0.583 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.2 | -177.5 | -71.1 | -42.8 | 0 | 0 | 0 | 113.2 | K1214 H1215 | D1126-K1214 WeakPolarHBondContact OD1-CD 3.44Å; D1126-K1214 IonicContact OD1-NZ 2.97Å; D1126-K1214 PolarHBondContact OD1-NZ 3.13Å; D1126-H1215 PolarHBondContact O-NE2 2.59Å |
| 1127 | S | 81.8 | Confident | 90.1 | Very high | 52 Ų | 52 | 35.7 Ų | 35.7 | 36% | 0.364 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 4 | -179.3 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | Q1125 L1129 N1139 | Q1125-S1127 PolarHBondContact O-N 2.99Å; S1127-L1129 PolarHBondContact O-N 3.13Å; S1127-L1129 VanDerWaalsContact O-N 3.15Å; S1127-N1139 WeakPolarHBondContact O-CB 3.37Å; S1127-N1139 VanDerWaalsContact O-CG 3.24Å; S1127-N1139 PolarHBondContact O-N 2.68Å; S1127-N1139 WeakPolarHBondContact OG-CB 3.46Å; S1127-N1139 PolarHBondContact OG-ND2 3.49Å |
| 1128 | S | 89.2 | Confident | 90 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -80.2 | 17.2 | -179.4 | -69.2 | 0 | 0 | 0 | 0 | 114.3 | L1122 Q1125 Y1130 N1137 N1139 S1218 | L1122-S1128 VanDerWaalsContact O-CB 3.29Å; L1122-S1128 WeakPolarHBondContact O-CB 3.43Å; L1122-S1128 PolarHBondContact O-OG 2.59Å; Q1125-S1128 PolarHBondContact O-N 3.01Å; S1128-Y1130 PolarHBondContact O-N 3.12Å; S1128-N1137 PolarHBondContact O-ND2 3.26Å; S1128-N1139 PolarHBondContact OG-ND2 3.27Å; S1128-S1218 WeakPolarHBondContact O-CB 3.32Å; S1128-S1218 PolarHBondContact O-OG 2.71Å | ||
| 1129 | L | 89.1 | Confident | 90 | Very high | 52 Ų | 52 | 38.9 Ų | 38.9 | 27% | 0.272 | 19% | 0.188 | S | C | . | . | trans | -62.5 | 129.6 | 179.6 | -175.2 | 68.2 | 0 | 0 | 0 | 110.8 | S1127 N1137 E1138 | S1127-L1129 PolarHBondContact O-N 3.13Å; S1127-L1129 VanDerWaalsContact O-N 3.15Å; L1129-N1137 CarbonylContact O-C 3.04Å; L1129-N1137 VanDerWaalsContact O-CA 3.28Å; L1129-N1137 WeakPolarHBondContact O-CA 3.24Å; L1129-E1138 HydrophobicContact CB-CG 4.38Å; L1129-E1138 PolarHBondContact O-N 3.1Å | ||
| 1130 | Y | 92.6 | Very high | 90.1 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 2% | 0.024 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 128.8 | 175.1 | -171.8 | -98.6 | 0 | 0 | 0 | 111.1 | S1128 I1132 E1135 N1137 S1218 I1221 Y1251 I1254 | S1128-Y1130 PolarHBondContact O-N 3.12Å; Y1130-I1132 HydrophobicContact CD1-CG1 4.11Å; Y1130-I1132 HydrophobicContact CE1-CG1 4.11Å; Y1130-E1135 VanDerWaalsContact OH-C 3.25Å; Y1130-E1135 WeakPolarHBondContact OH-CA 3.31Å; Y1130-E1135 PolarHBondContact OH-O 3.41Å; Y1130-N1137 WeakPolarHBondContact CD2-OD1 3.23Å; Y1130-S1218 PolarHBondContact N-OG 2.99Å; Y1130-I1221 HydrophobicContact CD1-CD1 3.75Å; Y1130-I1221 HydrophobicContact CD1-CG2 4.39Å; Y1130-I1221 HydrophobicContact CD2-CG2 4.01Å; Y1130-I1221 HydrophobicContact CE1-CD1 4.01Å; Y1130-I1221 HydrophobicContact CE1-CG2 4.01Å; Y1130-I1221 HydrophobicContact CE2-CG2 3.62Å; Y1130-I1221 HydrophobicContact CG-CD1 4.17Å; Y1130-I1221 HydrophobicContact CG-CG2 4.37Å; Y1130-Y1251 HydrophobicContact CE1-CE1 4.38Å; Y1130-I1254 HydrophobicContact CD1-CG2 4.34Å; Y1130-I1254 VanDerWaalsContact O-CG2 3.29Å; Y1130-I1254 WeakPolarHBondContact O-CG2 3.18Å |
| 1131 | R | 90.4 | Very high | 90.4 | Very high | 61 Ų | 61 | 38.3 Ų | 38.3 | 23% | 0.23 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 110.4 | 177.1 | -74.5 | -167.4 | 66 | 169.2 | -2.6 | 110 | D1133 L1134 E1135 A1136 E1138 | R1131-D1133 VanDerWaalsContact C-N 3.26Å; R1131-D1133 WeakPolarHBondContact CB-OD1 3.31Å; R1131-D1133 IonicContact CZ-OD1 2.8Å; R1131-D1133 IonicContact CZ-OD2 3.75Å; R1131-D1133 IonicContact NE-OD1 3.52Å; R1131-D1133 PolarHBondContact NE-OD1 3.39Å; R1131-D1133 IonicContact NE-OD2 3.36Å; R1131-D1133 IonicContact NH2-OD1 3.2Å; R1131-D1133 IonicContact NH2-OD2 3.95Å; R1131-D1133 PolarHBondContact NH2-OD2 3.36Å; R1131-D1133 PolarHBondContact O-N 3.39Å; R1131-L1134 HydrophobicContact CB-CB 4.29Å; R1131-L1134 HydrophobicContact CB-CD1 4.47Å; R1131-L1134 HydrophobicContact CB-CG 4.44Å; R1131-L1134 PolarHBondContact O-N 3.17Å; R1131-E1135 PolarHBondContact O-N 2.93Å; R1131-A1136 PolarHBondContact N-O 3.01Å; R1131-A1136 PolarHBondContact O-N 2.92Å; R1131-E1138 WeakPolarHBondContact CD-OE1 3.5Å; R1131-E1138 HydrophobicContact CG-CG 4.04Å |
| 1132 | I | 89.4 | Confident | 90.6 | Very high | 60 Ų | 60 | 36.1 Ų | 36.1 | 31% | 0.308 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -64.1 | -35.3 | -179.7 | -65.6 | 170.2 | 0 | 0 | 0 | 111 | Y1130 L1134 E1135 I1254 A1255 | Y1130-I1132 HydrophobicContact CD1-CG1 4.11Å; Y1130-I1132 HydrophobicContact CE1-CG1 4.11Å; I1132-L1134 PolarHBondContact O-N 2.68Å; I1132-E1135 PolarHBondContact O-N 3.29Å; I1132-I1254 HydrophobicContact CD1-CB 4.22Å; I1132-I1254 HydrophobicContact CD1-CG2 3.8Å; I1132-I1254 HydrophobicContact CG1-CG2 3.89Å; I1132-A1255 VanDerWaalsContact CD1-CA 3.47Å; I1132-A1255 HydrophobicContact CD1-CB 3.7Å |
| 1133 | D | 89.8 | Confident | 90.9 | Very high | 83 Ų | 83 | 36 Ų | 36 | 44% | 0.444 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -67.4 | -15 | 178.9 | 60.2 | -50.8 | 0 | 0 | 0 | 114 | R1131 | R1131-D1133 VanDerWaalsContact C-N 3.26Å; R1131-D1133 WeakPolarHBondContact CB-OD1 3.31Å; R1131-D1133 IonicContact CZ-OD1 2.8Å; R1131-D1133 IonicContact CZ-OD2 3.75Å; R1131-D1133 IonicContact NE-OD1 3.52Å; R1131-D1133 PolarHBondContact NE-OD1 3.39Å; R1131-D1133 IonicContact NE-OD2 3.36Å; R1131-D1133 IonicContact NH2-OD1 3.2Å; R1131-D1133 IonicContact NH2-OD2 3.95Å; R1131-D1133 PolarHBondContact NH2-OD2 3.36Å; R1131-D1133 PolarHBondContact O-N 3.39Å |
| 1134 | L | 93 | Very high | 91.4 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -117 | -6.1 | 176.3 | -60.5 | -178.9 | 0 | 0 | 0 | 113.1 | S874 L877 V881 L883 R1131 I1132 A1136 | S874-L1134 WeakPolarHBondContact CA-O 3.07Å; S874-L1134 WeakPolarHBondContact CB-O 3.32Å; S874-L1134 PolarHBondContact OG-O 2.97Å; L877-L1134 HydrophobicContact CD1-CD2 3.62Å; V881-L1134 HydrophobicContact CG1-CD1 4.41Å; V881-L1134 HydrophobicContact CG1-CD2 4.44Å; V881-L1134 HydrophobicContact CG2-CD2 4.17Å; L883-L1134 HydrophobicContact CD2-CD1 4.14Å; R1131-L1134 HydrophobicContact CB-CB 4.29Å; R1131-L1134 HydrophobicContact CB-CD1 4.47Å; R1131-L1134 HydrophobicContact CB-CG 4.44Å; R1131-L1134 PolarHBondContact O-N 3.17Å; I1132-L1134 PolarHBondContact O-N 2.68Å; L1134-A1136 HydrophobicContact CB-CB 4.02Å; L1134-A1136 PolarHBondContact O-N 3.15Å |
| 1135 | E | 94.4 | Very high | 91.8 | Very high | 87 Ų | 87 | 31.1 Ų | 31.1 | 41% | 0.407 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 36.9 | -165.3 | -66.3 | -174.5 | 167.9 | 0 | 0 | 114.2 | L876 Y1130 R1131 I1132 | L876-E1135 HydrophobicContact CB-CB 4.05Å; L876-E1135 HydrophobicContact CB-CG 3.89Å; L876-E1135 HydrophobicContact CD2-CG 4.2Å; L876-E1135 HydrophobicContact CG-CG 4.46Å; Y1130-E1135 VanDerWaalsContact OH-C 3.25Å; Y1130-E1135 WeakPolarHBondContact OH-CA 3.31Å; Y1130-E1135 PolarHBondContact OH-O 3.41Å; R1131-E1135 PolarHBondContact O-N 2.93Å; I1132-E1135 PolarHBondContact O-N 3.29Å |
| 1136 | A | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 157 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113 | V872 Y873 R1131 L1134 H1142 | V872-A1136 HydrophobicContact CG1-CB 3.58Å; Y873-A1136 WeakPolarHBondContact O-CB 3.39Å; R1131-A1136 PolarHBondContact N-O 3.01Å; R1131-A1136 PolarHBondContact O-N 2.92Å; L1134-A1136 HydrophobicContact CB-CB 4.02Å; L1134-A1136 PolarHBondContact O-N 3.15Å; A1136-H1142 VanDerWaalsContact CB-CE1 3.49Å; A1136-H1142 WeakPolarHBondContact CB-CE1 3.31Å; A1136-H1142 WeakPolarHBondContact CB-NE2 3.19Å |
| 1137 | N | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 144 | 169.1 | -64 | 84.3 | 0 | 0 | 0 | 111 | V872 S1128 L1129 Y1130 N1139 N1140 C1141 H1142 V1222 | V872-N1137 WeakPolarHBondContact CG1-O 3.49Å; S1128-N1137 PolarHBondContact O-ND2 3.26Å; L1129-N1137 CarbonylContact O-C 3.04Å; L1129-N1137 VanDerWaalsContact O-CA 3.28Å; L1129-N1137 WeakPolarHBondContact O-CA 3.24Å; Y1130-N1137 WeakPolarHBondContact CD2-OD1 3.23Å; N1137-N1139 PolarHBondContact O-N 2.84Å; N1137-N1139 VanDerWaalsContact O-N 3.13Å; N1137-N1140 PolarHBondContact O-N 2.98Å; N1137-C1141 WeakPolarHBondContact CB-SG 3.23Å; N1137-H1142 PolarHBondContact N-ND1 3.47Å; N1137-H1142 VanDerWaalsContact N-ND1 3.1Å; N1137-H1142 WeakPolarHBondContact OD1-CB 3.38Å; N1137-V1222 WeakPolarHBondContact OD1-CG2 3.42Å |
| 1138 | E | 92 | Very high | 93.9 | Very high | 65 Ų | 65 | 21.9 Ų | 21.9 | 30% | 0.304 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.8 | -177.8 | -66 | -171.1 | 155.9 | 0 | 0 | 113.8 | V872 L883 L1129 R1131 | V872-E1138 WeakPolarHBondContact CG2-O 3.34Å; L883-E1138 HydrophobicContact CD1-CB 4.08Å; L883-E1138 HydrophobicContact CD1-CG 3.99Å; L1129-E1138 HydrophobicContact CB-CG 4.38Å; L1129-E1138 PolarHBondContact O-N 3.1Å; R1131-E1138 WeakPolarHBondContact CD-OE1 3.5Å; R1131-E1138 HydrophobicContact CG-CG 4.04Å |
| 1139 | N | 93.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 21.2 | 176.2 | 67.8 | -5.1 | 0 | 0 | 0 | 114.2 | K974 Q1125 S1127 S1128 N1137 C1141 | K974-N1139 WeakPolarHBondContact CD-O 3.41Å; Q1125-N1139 PolarHBondContact OE1-ND2 3.43Å; S1127-N1139 WeakPolarHBondContact O-CB 3.37Å; S1127-N1139 VanDerWaalsContact O-CG 3.24Å; S1127-N1139 PolarHBondContact O-N 2.68Å; S1127-N1139 WeakPolarHBondContact OG-CB 3.46Å; S1127-N1139 PolarHBondContact OG-ND2 3.49Å; S1128-N1139 PolarHBondContact OG-ND2 3.27Å; N1137-N1139 PolarHBondContact O-N 2.84Å; N1137-N1139 VanDerWaalsContact O-N 3.13Å; N1139-C1141 PolarHBondContact O-N 3.42Å; N1139-C1141 VanDerWaalsContact OD1-CB 3.31Å; N1139-C1141 WeakPolarHBondContact OD1-CB 3.48Å; N1139-C1141 PolarHBondContact OD1-N 2.94Å; N1139-C1141 PolarHBondContact OD1-SG 3.35Å |
| 1140 | N | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 55.7 | 15.9 | -177.7 | -70.7 | -55.5 | 0 | 0 | 0 | 116.3 | A866 F871 V872 Y873 K974 V978 N1137 H1142 C1143 | A866-N1140 PolarHBondContact O-ND2 3.13Å; F871-N1140 PolarHBondContact O-ND2 3.2Å; V872-N1140 VanDerWaalsContact CA-OD1 3.24Å; V872-N1140 WeakPolarHBondContact CA-OD1 3.46Å; Y873-N1140 PolarHBondContact N-OD1 2.88Å; K974-N1140 HydrophobicContact CD-CB 4.23Å; K974-N1140 HydrophobicContact CG-CB 4.12Å; V978-N1140 HydrophobicContact CG2-CB 3.78Å; N1137-N1140 PolarHBondContact O-N 2.98Å; N1140-H1142 PolarHBondContact O-N 3.32Å; N1140-H1142 VanDerWaalsContact O-N 3.15Å; N1140-C1143 WeakPolarHBondContact O-CB 3.45Å; N1140-C1143 PolarHBondContact O-N 3.17Å |
| 1141 | C | 96.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -66 | -19.7 | -177.5 | 68.7 | 0 | 0 | 0 | 0 | 113.4 | L1122 N1137 N1139 C1143 I1144 | L1122-C1141 HydrophobicContact CD1-CB 4.29Å; L1122-C1141 HydrophobicContact CD2-CB 4.02Å; N1137-C1141 WeakPolarHBondContact CB-SG 3.23Å; N1139-C1141 PolarHBondContact O-N 3.42Å; N1139-C1141 VanDerWaalsContact OD1-CB 3.31Å; N1139-C1141 WeakPolarHBondContact OD1-CB 3.48Å; N1139-C1141 PolarHBondContact OD1-N 2.94Å; N1139-C1141 PolarHBondContact OD1-SG 3.35Å; C1141-C1143 PolarHBondContact O-N 3.16Å; C1141-I1144 HydrophobicContact CB-CD1 4.09Å; C1141-I1144 VanDerWaalsContact O-CB 3.25Å; C1141-I1144 WeakPolarHBondContact O-CB 3.14Å; C1141-I1144 WeakPolarHBondContact O-CG1 3.38Å; C1141-I1144 PolarHBondContact O-N 3.3Å; C1141-I1144 VanDerWaalsContact O-N 3.17Å |
| 1142 | H | 96 | Very high | 94.8 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 2% | 0.023 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -60.9 | -27 | 168.1 | 62 | -63.3 | 0 | 0 | 0 | 112.8 | Y873 A1136 N1137 N1140 I1144 A1145 V1222 | Y873-H1142 PolarHBondContact O-CE1 2.93Å; Y873-H1142 PolarHBondContact O-NE2 2.96Å; A1136-H1142 VanDerWaalsContact CB-CE1 3.49Å; A1136-H1142 WeakPolarHBondContact CB-CE1 3.31Å; A1136-H1142 WeakPolarHBondContact CB-NE2 3.19Å; N1137-H1142 PolarHBondContact N-ND1 3.47Å; N1137-H1142 VanDerWaalsContact N-ND1 3.1Å; N1137-H1142 WeakPolarHBondContact OD1-CB 3.38Å; N1140-H1142 PolarHBondContact O-N 3.32Å; N1140-H1142 VanDerWaalsContact O-N 3.15Å; H1142-I1144 PolarHBondContact O-N 2.96Å; H1142-A1145 WeakPolarHBondContact O-CB 3.48Å; H1142-A1145 PolarHBondContact O-N 3.28Å; H1142-V1222 HydrophobicContact CB-CG2 4.3Å |
| 1143 | C | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -66.7 | -21 | 177.6 | -66.1 | 0 | 0 | 0 | 0 | 112.9 | G977 V978 N1140 C1141 A1145 Y1146 | G977-C1143 WeakPolarHBondContact CA-O 3.25Å; V978-C1143 HydrophobicContact CG2-CB 4.06Å; N1140-C1143 WeakPolarHBondContact O-CB 3.45Å; N1140-C1143 PolarHBondContact O-N 3.17Å; C1141-C1143 PolarHBondContact O-N 3.16Å; C1143-A1145 PolarHBondContact O-N 3.37Å; C1143-A1145 VanDerWaalsContact O-N 3.12Å; C1143-Y1146 HydrophobicContact CB-CD2 4.46Å; C1143-Y1146 WeakPolarHBondContact O-CB 3.32Å; C1143-Y1146 WeakPolarHBondContact O-CD2 3.26Å; C1143-Y1146 PolarHBondContact O-N 3Å |
| 1144 | I | 97.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 11.9 Ų | 11.9 | 1% | 0.01 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -56.9 | -28.6 | 176.2 | -66.6 | 171.4 | 0 | 0 | 0 | 111.3 | L970 L973 K974 L1122 C1141 H1142 Y1146 A1147 I1148 | L970-I1144 HydrophobicContact CD2-CD1 4.44Å; L973-I1144 HydrophobicContact CB-CG1 4.22Å; L973-I1144 HydrophobicContact CB-CG2 4.12Å; K974-I1144 HydrophobicContact CB-CD1 4.42Å; K974-I1144 HydrophobicContact CB-CG1 4.12Å; L1122-I1144 HydrophobicContact CD1-CD1 3.86Å; L1122-I1144 HydrophobicContact CD2-CD1 4.04Å; C1141-I1144 HydrophobicContact CB-CD1 4.09Å; C1141-I1144 VanDerWaalsContact O-CB 3.25Å; C1141-I1144 WeakPolarHBondContact O-CB 3.14Å; C1141-I1144 WeakPolarHBondContact O-CG1 3.38Å; C1141-I1144 PolarHBondContact O-N 3.3Å; C1141-I1144 VanDerWaalsContact O-N 3.17Å; H1142-I1144 PolarHBondContact O-N 2.96Å; I1144-Y1146 VanDerWaalsContact C-N 3.34Å; I1144-Y1146 PolarHBondContact O-N 2.83Å; I1144-A1147 PolarHBondContact O-N 3.17Å; I1144-I1148 HydrophobicContact CG2-CD1 3.45Å; I1144-I1148 VanDerWaalsContact CG2-CD1 3.45Å; I1144-I1148 HydrophobicContact CG2-CG1 3.92Å; I1144-I1148 WeakPolarHBondContact O-CG1 3.28Å; I1144-I1148 PolarHBondContact O-N 3.25Å |
| 1145 | A | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -55.2 | -45.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H1142 C1143 N1149 L1226 | H1142-A1145 WeakPolarHBondContact O-CB 3.48Å; H1142-A1145 PolarHBondContact O-N 3.28Å; C1143-A1145 PolarHBondContact O-N 3.37Å; C1143-A1145 VanDerWaalsContact O-N 3.12Å; A1145-N1149 WeakPolarHBondContact O-CB 3.41Å; A1145-N1149 PolarHBondContact O-N 3.02Å; A1145-N1149 VanDerWaalsContact O-N 3.13Å; A1145-N1149 PolarHBondContact O-ND2 3.34Å; A1145-L1226 HydrophobicContact CB-CB 3.94Å; A1145-L1226 HydrophobicContact CB-CG 4.39Å |
| 1146 | Y | 95.5 | Very high | 95 | Very high | 23 Ų | 23 | 8.4 Ų | 8.4 | 9% | 0.09 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 176.8 | -61.9 | -86.2 | 0 | 0 | 0 | 110.5 | Y873 A981 K984 C1143 I1144 T1150 Q1229 | Y873-Y1146 HydrophobicContact CE1-CE2 4.18Å; A981-Y1146 HydrophobicContact CB-CD2 4.38Å; A981-Y1146 HydrophobicContact CB-CE2 4.35Å; K984-Y1146 HydrophobicContact CD-CE1 4.11Å; C1143-Y1146 HydrophobicContact CB-CD2 4.46Å; C1143-Y1146 WeakPolarHBondContact O-CB 3.32Å; C1143-Y1146 WeakPolarHBondContact O-CD2 3.26Å; C1143-Y1146 PolarHBondContact O-N 3Å; I1144-Y1146 VanDerWaalsContact C-N 3.34Å; I1144-Y1146 PolarHBondContact O-N 2.83Å; Y1146-T1150 VanDerWaalsContact O-CB 3.27Å; Y1146-T1150 WeakPolarHBondContact O-CB 3.29Å; Y1146-T1150 PolarHBondContact O-N 3.41Å; Y1146-T1150 PolarHBondContact O-OG1 3.49Å; Y1146-Q1229 VanDerWaalsContact CZ-NE2 3.28Å; Y1146-Q1229 PolarHBondContact OH-NE2 3.01Å |
| 1147 | A | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.4 | -48.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | L973 I976 I1144 L1151 | L973-A1147 HydrophobicContact CD2-CB 4.14Å; L973-A1147 WeakPolarHBondContact O-CB 3.36Å; I976-A1147 HydrophobicContact CB-CB 3.95Å; I976-A1147 HydrophobicContact CG2-CB 3.65Å; I1144-A1147 PolarHBondContact O-N 3.17Å; A1147-L1151 VanDerWaalsContact O-CB 3.22Å; A1147-L1151 WeakPolarHBondContact O-CB 3.43Å; A1147-L1151 WeakPolarHBondContact O-CD1 3.4Å; A1147-L1151 WeakPolarHBondContact O-CG 3.44Å; A1147-L1151 PolarHBondContact O-N 2.98Å |
| 1148 | I | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63.1 | -50.9 | -177.3 | -65.9 | 167.5 | 0 | 0 | 0 | 110.4 | I1115 I1144 L1151 M1152 F1171 L1226 | I1115-I1148 HydrophobicContact CD1-CG1 4.02Å; I1115-I1148 HydrophobicContact CG2-CD1 3.45Å; I1115-I1148 VanDerWaalsContact CG2-CD1 3.45Å; I1115-I1148 HydrophobicContact CG2-CG1 3.97Å; I1144-I1148 HydrophobicContact CG2-CD1 3.45Å; I1144-I1148 VanDerWaalsContact CG2-CD1 3.45Å; I1144-I1148 HydrophobicContact CG2-CG1 3.92Å; I1144-I1148 WeakPolarHBondContact O-CG1 3.28Å; I1144-I1148 PolarHBondContact O-N 3.25Å; I1148-L1151 PolarHBondContact O-N 3.11Å; I1148-M1152 HydrophobicContact CG2-CG 4.29Å; I1148-M1152 HydrophobicContact CG2-SD 3.8Å; I1148-M1152 VanDerWaalsContact O-CB 3.3Å; I1148-M1152 WeakPolarHBondContact O-CB 3.13Å; I1148-M1152 VanDerWaalsContact O-CG 3.27Å; I1148-M1152 WeakPolarHBondContact O-CG 3.44Å; I1148-M1152 PolarHBondContact O-N 2.68Å; I1148-F1171 HydrophobicContact CD1-CZ 4.21Å; I1148-F1171 HydrophobicContact CG2-CE1 4.27Å; I1148-F1171 HydrophobicContact CG2-CE2 4.43Å; I1148-F1171 HydrophobicContact CG2-CZ 4.07Å; I1148-L1226 HydrophobicContact CB-CD1 4.22Å; I1148-L1226 HydrophobicContact CD1-CD1 3.48Å; I1148-L1226 VanDerWaalsContact CD1-CD1 3.48Å; I1148-L1226 HydrophobicContact CG1-CD1 4.46Å; I1148-L1226 HydrophobicContact CG2-CD1 4.21Å |
| 1149 | N | 95.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 8 Ų | 8 | 6% | 0.064 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.2 | -49.3 | -178.3 | -78 | -41.6 | 0 | 0 | 0 | 111.2 | A1145 L1151 M1152 V1153 L1226 Q1229 S1230 | A1145-N1149 WeakPolarHBondContact O-CB 3.41Å; A1145-N1149 PolarHBondContact O-N 3.02Å; A1145-N1149 VanDerWaalsContact O-N 3.13Å; A1145-N1149 PolarHBondContact O-ND2 3.34Å; N1149-L1151 PolarHBondContact O-N 2.84Å; N1149-M1152 PolarHBondContact O-N 3.39Å; N1149-V1153 WeakPolarHBondContact O-CB 3.39Å; N1149-V1153 WeakPolarHBondContact O-CG2 3.4Å; N1149-V1153 PolarHBondContact O-N 2.82Å; N1149-L1226 PolarHBondContact ND2-O 3.23Å; N1149-Q1229 WeakPolarHBondContact ND2-CB 3.25Å; N1149-S1230 WeakPolarHBondContact OD1-CB 3.46Å; N1149-S1230 PolarHBondContact OD1-OG 2.94Å |
| 1150 | T | 95.1 | Very high | 93.2 | Very high | 26 Ų | 26 | 12.9 Ų | 12.9 | 16% | 0.16 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | -179.2 | -58.7 | 0 | 0 | 0 | 0 | 112 | L980 D1064 L1067 Y1146 S1154 | L980-T1150 HydrophobicContact CD1-CG2 3.96Å; L980-T1150 HydrophobicContact CD2-CG2 4.35Å; D1064-T1150 HydrophobicContact CB-CG2 3.94Å; L1067-T1150 HydrophobicContact CD2-CG2 3.77Å; Y1146-T1150 VanDerWaalsContact O-CB 3.27Å; Y1146-T1150 WeakPolarHBondContact O-CB 3.29Å; Y1146-T1150 PolarHBondContact O-N 3.41Å; Y1146-T1150 PolarHBondContact O-OG1 3.49Å; T1150-S1154 WeakPolarHBondContact O-CB 3.48Å; T1150-S1154 PolarHBondContact O-N 2.84Å; T1150-S1154 PolarHBondContact O-OG 3.47Å |
| 1151 | L | 95.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.01 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.9 | -44.6 | 176.7 | -72.9 | 167.3 | 0 | 0 | 0 | 112.1 | V929 I932 L973 I976 L1067 F1111 A1147 I1148 N1149 S1154 M1155 | V929-L1151 HydrophobicContact CG1-CD2 4.23Å; V929-L1151 HydrophobicContact CG2-CD2 3.49Å; V929-L1151 VanDerWaalsContact CG2-CD2 3.49Å; I932-L1151 HydrophobicContact CD1-CD1 4.47Å; L973-L1151 HydrophobicContact CD2-CD1 4.03Å; I976-L1151 HydrophobicContact CD1-CD1 4.18Å; L1067-L1151 HydrophobicContact CD1-CD2 4.42Å; L1067-L1151 HydrophobicContact CD2-CD2 3.88Å; F1111-L1151 HydrophobicContact CE1-CB 3.97Å; F1111-L1151 HydrophobicContact CE1-CD1 4.47Å; F1111-L1151 HydrophobicContact CE2-CD1 4.35Å; F1111-L1151 HydrophobicContact CZ-CB 3.98Å; F1111-L1151 HydrophobicContact CZ-CD1 3.64Å; F1111-L1151 HydrophobicContact CZ-CG 4.42Å; A1147-L1151 VanDerWaalsContact O-CB 3.22Å; A1147-L1151 WeakPolarHBondContact O-CB 3.43Å; A1147-L1151 WeakPolarHBondContact O-CD1 3.4Å; A1147-L1151 WeakPolarHBondContact O-CG 3.44Å; A1147-L1151 PolarHBondContact O-N 2.98Å; I1148-L1151 PolarHBondContact O-N 3.11Å; N1149-L1151 PolarHBondContact O-N 2.84Å; L1151-S1154 PolarHBondContact O-N 3.42Å; L1151-M1155 HydrophobicContact CB-SD 4.25Å; L1151-M1155 WeakPolarHBondContact O-CB 3.47Å; L1151-M1155 WeakPolarHBondContact O-CG 3.47Å; L1151-M1155 PolarHBondContact O-N 2.98Å |
| 1152 | M | 94.5 | Very high | 90.8 | Very high | 5 Ų | 5 | 17.6 Ų | 17.6 | 3% | 0.025 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 177.7 | -76.8 | -173.5 | 58.6 | 0 | 0 | 111.5 | I1112 I1148 N1149 F1156 L1164 F1171 | I1112-M1152 HydrophobicContact CG2-CE 3.98Å; I1112-M1152 HydrophobicContact CG2-CG 3.78Å; I1112-M1152 HydrophobicContact CG2-SD 3.67Å; I1148-M1152 HydrophobicContact CG2-CG 4.29Å; I1148-M1152 HydrophobicContact CG2-SD 3.8Å; I1148-M1152 VanDerWaalsContact O-CB 3.3Å; I1148-M1152 WeakPolarHBondContact O-CB 3.13Å; I1148-M1152 VanDerWaalsContact O-CG 3.27Å; I1148-M1152 WeakPolarHBondContact O-CG 3.44Å; I1148-M1152 PolarHBondContact O-N 2.68Å; N1149-M1152 PolarHBondContact O-N 3.39Å; M1152-F1156 HydrophobicContact CB-CD2 4.24Å; M1152-F1156 HydrophobicContact CB-CE2 4.37Å; M1152-F1156 HydrophobicContact CE-CE2 4.17Å; M1152-F1156 HydrophobicContact CG-CE2 4.22Å; M1152-F1156 WeakPolarHBondContact O-CB 3.46Å; M1152-F1156 WeakPolarHBondContact O-CD2 3.44Å; M1152-F1156 PolarHBondContact O-N 3.22Å; M1152-L1164 HydrophobicContact CB-CD1 4.35Å; M1152-F1171 HydrophobicContact CE-CB 4.15Å; M1152-F1171 HydrophobicContact SD-CB 4.29Å; M1152-F1171 HydrophobicContact SD-CD1 4.46Å; M1152-F1171 HydrophobicContact SD-CG 4.19Å |
| 1153 | V | 92.9 | Very high | 90.3 | Very high | 7 Ų | 7 | 19.1 Ų | 19.1 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60 | -51.4 | 177.9 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | D1062 L1063 N1149 M1155 S1157 L1164 P1231 | D1062-V1153 WeakPolarHBondContact O-CG1 3.42Å; L1063-V1153 HydrophobicContact CB-CG1 4.05Å; L1063-V1153 HydrophobicContact CD1-CG1 3.9Å; N1149-V1153 WeakPolarHBondContact O-CB 3.39Å; N1149-V1153 WeakPolarHBondContact O-CG2 3.4Å; N1149-V1153 PolarHBondContact O-N 2.82Å; V1153-M1155 PolarHBondContact O-N 3.03Å; V1153-S1157 WeakPolarHBondContact O-CB 3.43Å; V1153-S1157 PolarHBondContact O-N 3.47Å; V1153-S1157 PolarHBondContact O-OG 3.2Å; V1153-L1164 HydrophobicContact CB-CD2 4.43Å; V1153-L1164 HydrophobicContact CG1-CD2 4.36Å; V1153-L1164 HydrophobicContact CG2-CD1 4.34Å; V1153-L1164 HydrophobicContact CG2-CD2 4.05Å; V1153-P1231 HydrophobicContact CG2-CG 3.61Å |
| 1154 | S | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.1 | -41.2 | -178.6 | -69.6 | 0 | 0 | 0 | 0 | 113.4 | C1068 T1150 L1151 L1158 | C1068-S1154 PolarHBondContact SG-OG 3.01Å; T1150-S1154 WeakPolarHBondContact O-CB 3.48Å; T1150-S1154 PolarHBondContact O-N 2.84Å; T1150-S1154 PolarHBondContact O-OG 3.47Å; L1151-S1154 PolarHBondContact O-N 3.42Å; S1154-L1158 VanDerWaalsContact O-CB 3.25Å; S1154-L1158 WeakPolarHBondContact O-CB 3.32Å; S1154-L1158 PolarHBondContact O-N 3.39Å |
| 1155 | M | 92 | Very high | 89.5 | Confident | 24 Ų | 24 | 24.8 Ų | 24.8 | 12% | 0.118 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.9 | -48.9 | -178.3 | -70 | 169.5 | 62.8 | 0 | 0 | 111.7 | L1071 A1108 F1111 L1151 V1153 L1158 L1159 | L1071-M1155 HydrophobicContact CD1-CG 3.85Å; A1108-M1155 VanDerWaalsContact CA-CE 3.46Å; A1108-M1155 HydrophobicContact CB-CB 4.49Å; A1108-M1155 HydrophobicContact CB-CE 3.37Å; F1111-M1155 HydrophobicContact CB-CE 4.43Å; F1111-M1155 HydrophobicContact CD1-CE 4.09Å; F1111-M1155 HydrophobicContact CD1-SD 4.08Å; F1111-M1155 HydrophobicContact CE1-SD 4.13Å; F1111-M1155 HydrophobicContact CG-CE 4.4Å; L1151-M1155 HydrophobicContact CB-SD 4.25Å; L1151-M1155 WeakPolarHBondContact O-CB 3.47Å; L1151-M1155 WeakPolarHBondContact O-CG 3.47Å; L1151-M1155 PolarHBondContact O-N 2.98Å; V1153-M1155 PolarHBondContact O-N 3.03Å; M1155-L1158 PolarHBondContact O-N 3.47Å; M1155-L1159 VanDerWaalsContact O-CB 3.32Å; M1155-L1159 WeakPolarHBondContact O-CB 3.26Å; M1155-L1159 VanDerWaalsContact O-CG 3.25Å; M1155-L1159 WeakPolarHBondContact O-CG 3.41Å; M1155-L1159 PolarHBondContact O-N 3.09Å |
| 1156 | F | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -77.6 | -29.9 | -176.7 | -64.6 | -59.4 | 0 | 0 | 0 | 112.8 | Y1105 A1108 I1112 M1152 L1158 R1160 L1164 R1167 | Y1105-F1156 HydrophobicContact CD2-CD1 4.38Å; Y1105-F1156 HydrophobicContact CE2-CD1 4.01Å; Y1105-F1156 HydrophobicContact CE2-CE1 4.2Å; A1108-F1156 HydrophobicContact CB-CD1 4.49Å; A1108-F1156 HydrophobicContact CB-CE1 3.76Å; A1108-F1156 HydrophobicContact CB-CZ 4.1Å; I1112-F1156 HydrophobicContact CG2-CE2 3.96Å; I1112-F1156 HydrophobicContact CG2-CZ 4.2Å; M1152-F1156 HydrophobicContact CB-CD2 4.24Å; M1152-F1156 HydrophobicContact CB-CE2 4.37Å; M1152-F1156 HydrophobicContact CE-CE2 4.17Å; M1152-F1156 HydrophobicContact CG-CE2 4.22Å; M1152-F1156 WeakPolarHBondContact O-CB 3.46Å; M1152-F1156 WeakPolarHBondContact O-CD2 3.44Å; M1152-F1156 PolarHBondContact O-N 3.22Å; F1156-L1158 VanDerWaalsContact C-N 3.29Å; F1156-L1158 PolarHBondContact O-N 3.46Å; F1156-R1160 CarbonylContact O-C 3.51Å; F1156-R1160 PolarHBondContact O-N 2.96Å; F1156-R1160 VanDerWaalsContact O-N 3.15Å; F1156-L1164 HydrophobicContact CB-CB 4.14Å; F1156-L1164 HydrophobicContact CB-CD1 4.13Å; F1156-L1164 HydrophobicContact CD2-CD1 4.15Å; F1156-R1167 HydrophobicContact CD1-CB 4.47Å; F1156-R1167 HydrophobicContact CD1-CG 3.9Å; F1156-R1167 HydrophobicContact CD2-CB 3.96Å; F1156-R1167 HydrophobicContact CD2-CG 4.29Å; F1156-R1167 HydrophobicContact CE1-CB 4.23Å; F1156-R1167 HydrophobicContact CE1-CG 3.67Å; F1156-R1167 HydrophobicContact CE2-CB 3.69Å; F1156-R1167 HydrophobicContact CE2-CG 4.07Å; F1156-R1167 HydrophobicContact CG-CB 4.36Å; F1156-R1167 HydrophobicContact CG-CG 4.22Å; F1156-R1167 HydrophobicContact CZ-CB 3.84Å; F1156-R1167 HydrophobicContact CZ-CG 3.76Å |
| 1157 | S | 86 | Confident | 89.2 | Confident | 23 Ų | 23 | 28.4 Ų | 28.4 | 16% | 0.161 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.1 | -26.1 | 170.2 | -64.9 | 0 | 0 | 0 | 0 | 113 | F1044 V1153 P1161 | F1044-S1157 WeakPolarHBondContact CD2-O 3.42Å; F1044-S1157 WeakPolarHBondContact CE2-O 3.31Å; V1153-S1157 WeakPolarHBondContact O-CB 3.43Å; V1153-S1157 PolarHBondContact O-N 3.47Å; V1153-S1157 PolarHBondContact O-OG 3.2Å; S1157-P1161 WeakPolarHBondContact O-CG 3.43Å |
| 1158 | L | 85.3 | Confident | 89 | Confident | 16 Ų | 16 | 28.6 Ų | 28.6 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -84.7 | -44.6 | 176.1 | -176.2 | 69 | 0 | 0 | 0 | 112.8 | F1044 L1071 N1072 S1154 M1155 F1156 | F1044-L1158 HydrophobicContact CE1-CD1 3.91Å; F1044-L1158 HydrophobicContact CZ-CB 4.45Å; F1044-L1158 HydrophobicContact CZ-CD1 4.08Å; L1071-L1158 HydrophobicContact CB-CD2 3.88Å; N1072-L1158 HydrophobicContact CB-CD1 4.11Å; N1072-L1158 HydrophobicContact CB-CD2 4.09Å; S1154-L1158 VanDerWaalsContact O-CB 3.25Å; S1154-L1158 WeakPolarHBondContact O-CB 3.32Å; S1154-L1158 PolarHBondContact O-N 3.39Å; M1155-L1158 PolarHBondContact O-N 3.47Å; F1156-L1158 VanDerWaalsContact C-N 3.29Å; F1156-L1158 PolarHBondContact O-N 3.46Å |
| 1159 | L | 85.3 | Confident | 88.8 | Confident | 16 Ų | 16 | 32.8 Ų | 32.8 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -82.3 | -41.9 | -170.2 | -66.7 | 168.3 | 0 | 0 | 0 | 112.8 | Q1101 E1104 Y1105 A1108 M1155 | Q1101-L1159 PolarHBondContact NE2-O 3.29Å; Q1101-L1159 VanDerWaalsContact NE2-O 3.09Å; E1104-L1159 HydrophobicContact CB-CD1 4.47Å; E1104-L1159 HydrophobicContact CB-CD2 3.74Å; Y1105-L1159 HydrophobicContact CD2-CB 4.24Å; A1108-L1159 HydrophobicContact CB-CD1 3.68Å; M1155-L1159 VanDerWaalsContact O-CB 3.32Å; M1155-L1159 WeakPolarHBondContact O-CB 3.26Å; M1155-L1159 VanDerWaalsContact O-CG 3.25Å; M1155-L1159 WeakPolarHBondContact O-CG 3.41Å; M1155-L1159 PolarHBondContact O-N 3.09Å |
| 1160 | R | 81.8 | Confident | 88.7 | Confident | 107 Ų | 107 | 33.5 Ų | 33.5 | 40% | 0.404 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -153.3 | 84.3 | 178.4 | -165.3 | -176.4 | -96.3 | -179.7 | -2.2 | 110.8 | Y1105 F1156 G1162 D1163 | Y1105-R1160 HydrophobicContact CD2-CB 3.84Å; Y1105-R1160 HydrophobicContact CE2-CB 3.78Å; F1156-R1160 CarbonylContact O-C 3.51Å; F1156-R1160 PolarHBondContact O-N 2.96Å; F1156-R1160 VanDerWaalsContact O-N 3.15Å; R1160-G1162 PolarHBondContact O-N 3.36Å; R1160-G1162 VanDerWaalsContact O-N 3.13Å; R1160-D1163 VanDerWaalsContact CD-CG 3.45Å; R1160-D1163 WeakPolarHBondContact CD-OD2 3.44Å; R1160-D1163 IonicContact NE-OD2 2.9Å; R1160-D1163 IonicContact NH1-OD2 2.78Å; R1160-D1163 PolarHBondContact NH1-OD2 3.3Å; R1160-D1163 PolarHBondContact O-N 2.8Å; R1160-D1163 VanDerWaalsContact O-N 3.17Å |
| 1161 | P | 70.5 | Confident | 88.6 | Confident | 35 Ų | 35 | 32.3 Ų | 32.3 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 117.2 | -179.8 | -14.8 | 23.6 | 0 | 0 | 0 | 110.4 | I1040 S1157 | I1040-P1161 HydrophobicContact CG2-CB 3.52Å; I1040-P1161 HydrophobicContact CG2-CG 3.6Å; S1157-P1161 WeakPolarHBondContact O-CG 3.43Å |
| 1162 | G | 73.7 | Confident | 88.5 | Confident | 67 Ų | 67 | 32.3 Ų | 32.3 | 69% | 0.691 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 122 | -27 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1160 L1164 | R1160-G1162 PolarHBondContact O-N 3.36Å; R1160-G1162 VanDerWaalsContact O-N 3.13Å; G1162-L1164 VanDerWaalsContact C-N 3.3Å; G1162-L1164 PolarHBondContact O-N 2.74Å |
| 1163 | D | 85.5 | Confident | 88.3 | Confident | 37 Ų | 37 | 33.9 Ų | 33.9 | 20% | 0.198 | 19% | 0.192 | C | C | . | . | trans | -81.6 | -8.9 | -178.9 | -86.3 | 9.5 | 0 | 0 | 0 | 113.5 | Y1105 R1160 E1165 A1166 R1167 | Y1105-D1163 HydrophobicContact CE2-CB 4.25Å; Y1105-D1163 PolarHBondContact OH-OD2 3.24Å; R1160-D1163 VanDerWaalsContact CD-CG 3.45Å; R1160-D1163 WeakPolarHBondContact CD-OD2 3.44Å; R1160-D1163 IonicContact NE-OD2 2.9Å; R1160-D1163 IonicContact NH1-OD2 2.78Å; R1160-D1163 PolarHBondContact NH1-OD2 3.3Å; R1160-D1163 PolarHBondContact O-N 2.8Å; R1160-D1163 VanDerWaalsContact O-N 3.17Å; D1163-E1165 VanDerWaalsContact C-N 3.32Å; D1163-E1165 PolarHBondContact O-N 3.31Å; D1163-A1166 PolarHBondContact O-N 3Å; D1163-A1166 VanDerWaalsContact O-N 3.14Å; D1163-R1167 HydrophobicContact CB-CG 4.37Å; D1163-R1167 WeakPolarHBondContact O-CG 3.47Å; D1163-R1167 PolarHBondContact O-N 3.46Å | ||
| 1164 | L | 88.1 | Confident | 88.2 | Confident | 22 Ų | 22 | 33.9 Ų | 33.9 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.1 | -46.5 | -176.1 | 176 | 62.7 | 0 | 0 | 0 | 112.4 | M1152 V1153 F1156 G1162 R1167 S1168 C1232 | M1152-L1164 HydrophobicContact CB-CD1 4.35Å; V1153-L1164 HydrophobicContact CB-CD2 4.43Å; V1153-L1164 HydrophobicContact CG1-CD2 4.36Å; V1153-L1164 HydrophobicContact CG2-CD1 4.34Å; V1153-L1164 HydrophobicContact CG2-CD2 4.05Å; F1156-L1164 HydrophobicContact CB-CB 4.14Å; F1156-L1164 HydrophobicContact CB-CD1 4.13Å; F1156-L1164 HydrophobicContact CD2-CD1 4.15Å; G1162-L1164 VanDerWaalsContact C-N 3.3Å; G1162-L1164 PolarHBondContact O-N 2.74Å; L1164-R1167 PolarHBondContact O-N 3.37Å; L1164-S1168 VanDerWaalsContact O-CB 3.29Å; L1164-S1168 WeakPolarHBondContact O-CB 3.4Å; L1164-S1168 PolarHBondContact O-N 3.33Å; L1164-S1168 PolarHBondContact O-OG 3.32Å; L1164-C1232 VanDerWaalsContact CD2-SG 3.59Å |
| 1165 | E | 89.3 | Confident | 88.2 | Confident | 99 Ų | 99 | 34 Ų | 34 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65 | -44.6 | -179.8 | -169.8 | -171.5 | 161.4 | 0 | 0 | 111.4 | D1163 R1167 S1168 K1169 C1232 | D1163-E1165 VanDerWaalsContact C-N 3.32Å; D1163-E1165 PolarHBondContact O-N 3.31Å; E1165-R1167 PolarHBondContact O-N 3.08Å; E1165-S1168 PolarHBondContact O-N 2.9Å; E1165-K1169 WeakPolarHBondContact O-CG 3.21Å; E1165-K1169 PolarHBondContact O-N 3.14Å; E1165-K1169 VanDerWaalsContact OE1-CE 3.25Å; E1165-K1169 WeakPolarHBondContact OE1-CE 3.49Å; E1165-K1169 IonicContact OE1-NZ 2.75Å; E1165-K1169 PolarHBondContact OE1-NZ 3.32Å; E1165-C1232 HydrophobicContact CB-CB 4.5Å; E1165-C1232 HydrophobicContact CG-CB 4.42Å |
| 1166 | A | 91 | Very high | 88.2 | Confident | 45 Ų | 45 | 32.9 Ų | 32.9 | 37% | 0.372 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63 | -42.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1163 K1169 E1170 | D1163-A1166 PolarHBondContact O-N 3Å; D1163-A1166 VanDerWaalsContact O-N 3.14Å; A1166-K1169 PolarHBondContact O-N 2.84Å; A1166-E1170 PolarHBondContact O-N 3.34Å |
| 1167 | R | 93.2 | Very high | 88 | Confident | 54 Ų | 54 | 34.4 Ų | 34.4 | 20% | 0.204 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.7 | -32.1 | 176.7 | -62.6 | -48.7 | 110.7 | -167.3 | 9.4 | 112.5 | Y1105 I1112 F1156 D1163 L1164 E1165 E1170 F1171 | Y1105-R1167 PolarHBondContact OH-NE 3.33Å; I1112-R1167 HydrophobicContact CD1-CB 4.17Å; F1156-R1167 HydrophobicContact CD1-CB 4.47Å; F1156-R1167 HydrophobicContact CD1-CG 3.9Å; F1156-R1167 HydrophobicContact CD2-CB 3.96Å; F1156-R1167 HydrophobicContact CD2-CG 4.29Å; F1156-R1167 HydrophobicContact CE1-CB 4.23Å; F1156-R1167 HydrophobicContact CE1-CG 3.67Å; F1156-R1167 HydrophobicContact CE2-CB 3.69Å; F1156-R1167 HydrophobicContact CE2-CG 4.07Å; F1156-R1167 HydrophobicContact CG-CB 4.36Å; F1156-R1167 HydrophobicContact CG-CG 4.22Å; F1156-R1167 HydrophobicContact CZ-CB 3.84Å; F1156-R1167 HydrophobicContact CZ-CG 3.76Å; D1163-R1167 HydrophobicContact CB-CG 4.37Å; D1163-R1167 WeakPolarHBondContact O-CG 3.47Å; D1163-R1167 PolarHBondContact O-N 3.46Å; L1164-R1167 PolarHBondContact O-N 3.37Å; E1165-R1167 PolarHBondContact O-N 3.08Å; R1167-E1170 WeakPolarHBondContact CD-OE2 3.47Å; R1167-E1170 IonicContact CZ-OE2 3.59Å; R1167-E1170 IonicContact NE-OE2 3.85Å; R1167-E1170 IonicContact NH1-OE1 3.97Å; R1167-E1170 IonicContact NH1-OE2 2.64Å; R1167-E1170 PolarHBondContact NH1-OE2 2.64Å; R1167-E1170 PolarHBondContact O-N 2.88Å; R1167-F1171 PolarHBondContact O-N 3.49Å |
| 1168 | S | 92.9 | Very high | 88.2 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.5 | -42.5 | 173 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | L1164 E1165 F1171 L1172 | L1164-S1168 VanDerWaalsContact O-CB 3.29Å; L1164-S1168 WeakPolarHBondContact O-CB 3.4Å; L1164-S1168 PolarHBondContact O-N 3.33Å; L1164-S1168 PolarHBondContact O-OG 3.32Å; E1165-S1168 PolarHBondContact O-N 2.9Å; S1168-F1171 PolarHBondContact O-N 3.36Å; S1168-L1172 WeakPolarHBondContact O-CB 3.24Å; S1168-L1172 PolarHBondContact O-N 3.4Å |
| 1169 | K | 92.8 | Very high | 88.4 | Confident | 89 Ų | 89 | 33.1 Ų | 33.1 | 39% | 0.387 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.5 | -42 | 172.9 | -75.4 | 170.8 | -175.1 | 172.2 | 0 | 112 | E1165 A1166 L1172 A1173 L1237 | E1165-K1169 WeakPolarHBondContact O-CG 3.21Å; E1165-K1169 PolarHBondContact O-N 3.14Å; E1165-K1169 VanDerWaalsContact OE1-CE 3.25Å; E1165-K1169 WeakPolarHBondContact OE1-CE 3.49Å; E1165-K1169 IonicContact OE1-NZ 2.75Å; E1165-K1169 PolarHBondContact OE1-NZ 3.32Å; A1166-K1169 PolarHBondContact O-N 2.84Å; K1169-L1172 PolarHBondContact O-N 3.38Å; K1169-A1173 PolarHBondContact O-N 3.13Å; K1169-L1237 HydrophobicContact CG-CD2 3.73Å |
| 1170 | E | 92.2 | Very high | 88.5 | Confident | 27 Ų | 27 | 35.2 Ų | 35.2 | 13% | 0.126 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.9 | -48.9 | 173.9 | -179.1 | -179 | -163.8 | 0 | 0 | 111.3 | R947 I1112 A1166 R1167 L1172 A1173 L1174 | R947-E1170 IonicContact CZ-OE1 3.45Å; R947-E1170 IonicContact NE-OE1 3.74Å; R947-E1170 PolarHBondContact NE-OE1 2.89Å; R947-E1170 IonicContact NH2-OE1 3.19Å; R947-E1170 PolarHBondContact NH2-OE1 3.16Å; R947-E1170 IonicContact NH2-OE2 3.1Å; R947-E1170 PolarHBondContact NH2-OE2 2.88Å; R947-E1170 VanDerWaalsContact NH2-OE2 3.1Å; I1112-E1170 HydrophobicContact CD1-CB 4.36Å; I1112-E1170 HydrophobicContact CD1-CG 4.24Å; A1166-E1170 PolarHBondContact O-N 3.34Å; R1167-E1170 WeakPolarHBondContact CD-OE2 3.47Å; R1167-E1170 IonicContact CZ-OE2 3.59Å; R1167-E1170 IonicContact NE-OE2 3.85Å; R1167-E1170 IonicContact NH1-OE1 3.97Å; R1167-E1170 IonicContact NH1-OE2 2.64Å; R1167-E1170 PolarHBondContact NH1-OE2 2.64Å; R1167-E1170 PolarHBondContact O-N 2.88Å; E1170-L1172 PolarHBondContact O-N 3.11Å; E1170-A1173 PolarHBondContact O-N 3.33Å; E1170-L1174 HydrophobicContact CG-CD1 3.99Å; E1170-L1174 WeakPolarHBondContact O-CG 3.49Å; E1170-L1174 PolarHBondContact O-N 3.45Å |
| 1171 | F | 94.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.3 | -47.2 | 176.4 | 174.1 | -100.1 | 0 | 0 | 0 | 111.9 | I1112 I1115 A1116 I1148 M1152 R1167 S1168 A1173 L1174 A1175 L1226 | I1112-F1171 HydrophobicContact CB-CB 4.34Å; I1112-F1171 HydrophobicContact CB-CD2 4.12Å; I1112-F1171 HydrophobicContact CD1-CB 4.48Å; I1115-F1171 HydrophobicContact CB-CE2 4.07Å; I1115-F1171 HydrophobicContact CG2-CE2 3.72Å; I1115-F1171 HydrophobicContact CG2-CZ 4.15Å; A1116-F1171 HydrophobicContact CB-CD2 4.1Å; A1116-F1171 HydrophobicContact CB-CE2 4.06Å; I1148-F1171 HydrophobicContact CD1-CZ 4.21Å; I1148-F1171 HydrophobicContact CG2-CE1 4.27Å; I1148-F1171 HydrophobicContact CG2-CE2 4.43Å; I1148-F1171 HydrophobicContact CG2-CZ 4.07Å; M1152-F1171 HydrophobicContact CE-CB 4.15Å; M1152-F1171 HydrophobicContact SD-CB 4.29Å; M1152-F1171 HydrophobicContact SD-CD1 4.46Å; M1152-F1171 HydrophobicContact SD-CG 4.19Å; R1167-F1171 PolarHBondContact O-N 3.49Å; S1168-F1171 PolarHBondContact O-N 3.36Å; F1171-A1173 VanDerWaalsContact C-N 3.35Å; F1171-A1173 PolarHBondContact O-N 3.1Å; F1171-L1174 PolarHBondContact O-N 3.16Å; F1171-A1175 HydrophobicContact CE1-CB 4.35Å; F1171-A1175 HydrophobicContact CE2-CB 4.48Å; F1171-A1175 HydrophobicContact CZ-CB 4.21Å; F1171-A1175 VanDerWaalsContact O-CB 3.27Å; F1171-A1175 WeakPolarHBondContact O-CB 3.44Å; F1171-A1175 PolarHBondContact O-N 3.47Å; F1171-L1226 HydrophobicContact CD1-CD2 4.46Å; F1171-L1226 HydrophobicContact CE1-CD1 3.83Å; F1171-L1226 HydrophobicContact CE1-CD2 3.73Å; F1171-L1226 HydrophobicContact CE1-CG 4.49Å; F1171-L1226 HydrophobicContact CZ-CD1 3.94Å |
| 1172 | L | 93.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.9 | -46.3 | 178.6 | 179.8 | 73 | 0 | 0 | 0 | 111.5 | S1168 K1169 E1170 S1176 F1223 I1227 L1233 L1237 | S1168-L1172 WeakPolarHBondContact O-CB 3.24Å; S1168-L1172 PolarHBondContact O-N 3.4Å; K1169-L1172 PolarHBondContact O-N 3.38Å; E1170-L1172 PolarHBondContact O-N 3.11Å; L1172-S1176 WeakPolarHBondContact O-CB 3.39Å; L1172-S1176 PolarHBondContact O-N 3.08Å; L1172-S1176 PolarHBondContact O-OG 3.29Å; L1172-F1223 HydrophobicContact CD1-CE1 4.31Å; L1172-F1223 HydrophobicContact CD1-CE2 4.27Å; L1172-F1223 HydrophobicContact CD1-CZ 3.59Å; L1172-I1227 HydrophobicContact CD1-CD1 3.35Å; L1172-I1227 HydrophobicContact CD1-CG1 3.96Å; L1172-L1233 HydrophobicContact CB-CD1 4.3Å; L1172-L1233 HydrophobicContact CB-CD2 4.3Å; L1172-L1233 HydrophobicContact CD2-CD2 4.31Å; L1172-L1237 HydrophobicContact CD2-CB 4.34Å; L1172-L1237 HydrophobicContact CD2-CD2 3.84Å; L1172-L1237 HydrophobicContact CD2-CG 3.58Å |
| 1173 | A | 90.4 | Very high | 88.9 | Confident | 38 Ų | 38 | 27.9 Ų | 27.9 | 31% | 0.314 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1169 E1170 F1171 S1177 | K1169-A1173 PolarHBondContact O-N 3.13Å; E1170-A1173 PolarHBondContact O-N 3.33Å; F1171-A1173 VanDerWaalsContact C-N 3.35Å; F1171-A1173 PolarHBondContact O-N 3.1Å; A1173-S1177 VanDerWaalsContact O-CB 3.29Å; A1173-S1177 WeakPolarHBondContact O-CB 3.32Å; A1173-S1177 PolarHBondContact O-N 2.89Å |
| 1174 | L | 90.4 | Very high | 88.3 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.1 | -48.8 | 177.7 | -72.6 | 170 | 0 | 0 | 0 | 111.9 | I950 V1113 A1116 E1170 F1171 S1177 N1178 | I950-L1174 HydrophobicContact CB-CD2 4.38Å; I950-L1174 HydrophobicContact CD1-CD2 3.82Å; I950-L1174 HydrophobicContact CD1-CG 4.37Å; I950-L1174 HydrophobicContact CG1-CD2 3.72Å; I950-L1174 HydrophobicContact CG2-CD2 4.1Å; V1113-L1174 HydrophobicContact CB-CD1 4.46Å; V1113-L1174 HydrophobicContact CG2-CD1 3.85Å; A1116-L1174 HydrophobicContact CB-CB 3.55Å; E1170-L1174 HydrophobicContact CG-CD1 3.99Å; E1170-L1174 WeakPolarHBondContact O-CG 3.49Å; E1170-L1174 PolarHBondContact O-N 3.45Å; F1171-L1174 PolarHBondContact O-N 3.16Å; L1174-S1177 PolarHBondContact O-N 3.14Å; L1174-N1178 WeakPolarHBondContact O-CB 2.97Å; L1174-N1178 PolarHBondContact O-N 2.89Å; L1174-N1178 PolarHBondContact O-ND2 2.98Å |
| 1175 | A | 92 | Very high | 87.3 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -43 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1116 F1171 N1178 L1179 F1223 | A1116-A1175 HydrophobicContact CB-CB 4.25Å; F1171-A1175 HydrophobicContact CE1-CB 4.35Å; F1171-A1175 HydrophobicContact CE2-CB 4.48Å; F1171-A1175 HydrophobicContact CZ-CB 4.21Å; F1171-A1175 VanDerWaalsContact O-CB 3.27Å; F1171-A1175 WeakPolarHBondContact O-CB 3.44Å; F1171-A1175 PolarHBondContact O-N 3.47Å; A1175-N1178 PolarHBondContact O-N 3.36Å; A1175-L1179 WeakPolarHBondContact O-CB 3.37Å; A1175-L1179 VanDerWaalsContact O-CG 3.31Å; A1175-L1179 WeakPolarHBondContact O-CG 3.47Å; A1175-L1179 PolarHBondContact O-N 2.8Å; A1175-F1223 HydrophobicContact CB-CD2 4.36Å; A1175-F1223 HydrophobicContact CB-CE2 3.56Å; A1175-F1223 HydrophobicContact CB-CZ 4.15Å |
| 1176 | S | 91.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 176.4 | -58 | 0 | 0 | 0 | 0 | 111.6 | L1172 N1178 L1179 L1180 F1223 C1241 | L1172-S1176 WeakPolarHBondContact O-CB 3.39Å; L1172-S1176 PolarHBondContact O-N 3.08Å; L1172-S1176 PolarHBondContact O-OG 3.29Å; S1176-N1178 VanDerWaalsContact C-N 3.31Å; S1176-N1178 PolarHBondContact O-N 3.14Å; S1176-L1179 PolarHBondContact O-N 3.31Å; S1176-L1180 WeakPolarHBondContact O-CB 3.46Å; S1176-L1180 VanDerWaalsContact O-CG 3.28Å; S1176-L1180 WeakPolarHBondContact O-CG 3.44Å; S1176-L1180 PolarHBondContact O-N 3.4Å; S1176-F1223 WeakPolarHBondContact OG-CZ 3.38Å; S1176-C1241 WeakPolarHBondContact CB-O 3.5Å |
| 1177 | S | 88.7 | Confident | 84.1 | Confident | 33 Ų | 33 | 29.2 Ų | 29.2 | 23% | 0.231 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57 | -45.4 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | A1173 L1174 R1181 | A1173-S1177 VanDerWaalsContact O-CB 3.29Å; A1173-S1177 WeakPolarHBondContact O-CB 3.32Å; A1173-S1177 PolarHBondContact O-N 2.89Å; L1174-S1177 PolarHBondContact O-N 3.14Å; S1177-R1181 WeakPolarHBondContact O-CD 3.32Å; S1177-R1181 WeakPolarHBondContact O-CG 3.33Å; S1177-R1181 PolarHBondContact O-N 3.45Å; S1177-R1181 VanDerWaalsContact O-N 3.08Å; S1177-R1181 PolarHBondContact OG-NE 3.42Å; S1177-R1181 PolarHBondContact OG-NH2 2.86Å |
| 1178 | N | 89.2 | Confident | 82.2 | Confident | 12 Ų | 12 | 30 Ų | 30 | 6% | 0.064 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.8 | -34.8 | -179.8 | -74.8 | -24.6 | 0 | 0 | 0 | 113.5 | A1116 N1117 P1120 L1174 A1175 S1176 R1181 L1182 | A1116-N1178 PolarHBondContact O-ND2 3.44Å; N1117-N1178 WeakPolarHBondContact CA-ND2 3.41Å; N1117-N1178 PolarHBondContact OD1-ND2 3.36Å; P1120-N1178 HydrophobicContact CG-CB 3.74Å; L1174-N1178 WeakPolarHBondContact O-CB 2.97Å; L1174-N1178 PolarHBondContact O-N 2.89Å; L1174-N1178 PolarHBondContact O-ND2 2.98Å; A1175-N1178 PolarHBondContact O-N 3.36Å; S1176-N1178 VanDerWaalsContact C-N 3.31Å; S1176-N1178 PolarHBondContact O-N 3.14Å; N1178-R1181 PolarHBondContact OD1-NH1 2.86Å; N1178-L1182 PolarHBondContact O-N 3.42Å; N1178-L1182 VanDerWaalsContact O-N 3.08Å |
| 1179 | L | 90.3 | Very high | 80.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.9 | -34 | 175.7 | -73.3 | 174 | 0 | 0 | 0 | 113.5 | F1119 P1120 A1175 S1176 L1182 G1183 I1219 Y1220 F1223 F1242 | F1119-L1179 HydrophobicContact CD1-CD1 4.21Å; F1119-L1179 HydrophobicContact CD1-CD2 4.03Å; F1119-L1179 HydrophobicContact CD1-CG 4.35Å; F1119-L1179 HydrophobicContact CE1-CD1 4.04Å; F1119-L1179 HydrophobicContact CE1-CD2 4.24Å; P1120-L1179 HydrophobicContact CG-CD2 4.44Å; A1175-L1179 WeakPolarHBondContact O-CB 3.37Å; A1175-L1179 VanDerWaalsContact O-CG 3.31Å; A1175-L1179 WeakPolarHBondContact O-CG 3.47Å; A1175-L1179 PolarHBondContact O-N 2.8Å; S1176-L1179 PolarHBondContact O-N 3.31Å; L1179-L1182 HydrophobicContact CD2-CD2 4.47Å; L1179-L1182 WeakPolarHBondContact O-CB 3.41Å; L1179-L1182 PolarHBondContact O-N 3.07Å; L1179-G1183 PolarHBondContact O-N 3.4Å; L1179-G1183 VanDerWaalsContact O-N 3.14Å; L1179-I1219 HydrophobicContact CD2-CG2 3.8Å; L1179-Y1220 HydrophobicContact CB-CD1 4.48Å; L1179-Y1220 HydrophobicContact CB-CE1 3.97Å; L1179-Y1220 HydrophobicContact CD2-CD1 4.33Å; L1179-Y1220 HydrophobicContact CD2-CE1 4.24Å; L1179-Y1220 PolarHBondContact O-OH 3.45Å; L1179-F1223 HydrophobicContact CD1-CB 3.71Å; L1179-F1223 HydrophobicContact CD1-CD1 3.68Å; L1179-F1223 HydrophobicContact CD1-CD2 3.73Å; L1179-F1223 HydrophobicContact CD1-CE1 4.16Å; L1179-F1223 HydrophobicContact CD1-CE2 4.22Å; L1179-F1223 HydrophobicContact CD1-CG 3.42Å; L1179-F1223 VanDerWaalsContact CD1-CG 3.42Å; L1179-F1223 HydrophobicContact CD1-CZ 4.39Å; L1179-F1242 HydrophobicContact CB-CD2 4.44Å; L1179-F1242 HydrophobicContact CB-CE2 3.81Å |
| 1180 | L | 87.7 | Confident | 78.1 | Confident | 60 Ų | 60 | 33.4 Ų | 33.4 | 31% | 0.314 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.5 | -39.8 | 172.2 | -71.3 | 170.8 | 0 | 0 | 0 | 111 | S1176 G1183 L1184 F1242 L1246 | S1176-L1180 WeakPolarHBondContact O-CB 3.46Å; S1176-L1180 VanDerWaalsContact O-CG 3.28Å; S1176-L1180 WeakPolarHBondContact O-CG 3.44Å; S1176-L1180 PolarHBondContact O-N 3.4Å; L1180-G1183 WeakPolarHBondContact O-CA 3.28Å; L1180-G1183 PolarHBondContact O-N 3.27Å; L1180-G1183 VanDerWaalsContact O-N 3.13Å; L1180-L1184 PolarHBondContact O-N 3.22Å; L1180-F1242 HydrophobicContact CD2-CD2 3.98Å; L1180-F1242 HydrophobicContact CD2-CE2 3.9Å; L1180-F1242 HydrophobicContact CG-CD2 3.9Å; L1180-F1242 HydrophobicContact CG-CE2 4.03Å; L1180-L1246 HydrophobicContact CD2-CD1 3.61Å |
| 1181 | R | 82.3 | Confident | 76 | Confident | 39 Ų | 39 | 36.9 Ų | 36.9 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 173.3 | -73 | 168 | -172.2 | 176.4 | -1.7 | 112 | I950 T956 S1177 N1178 G1183 L1184 E1185 | I950-R1181 PolarHBondContact O-NH2 3.17Å; T956-R1181 PolarHBondContact OG1-NH1 3.47Å; T956-R1181 VanDerWaalsContact OG1-NH1 3.16Å; S1177-R1181 WeakPolarHBondContact O-CD 3.32Å; S1177-R1181 WeakPolarHBondContact O-CG 3.33Å; S1177-R1181 PolarHBondContact O-N 3.45Å; S1177-R1181 VanDerWaalsContact O-N 3.08Å; S1177-R1181 PolarHBondContact OG-NE 3.42Å; S1177-R1181 PolarHBondContact OG-NH2 2.86Å; N1178-R1181 PolarHBondContact OD1-NH1 2.86Å; R1181-G1183 VanDerWaalsContact C-N 3.26Å; R1181-G1183 PolarHBondContact O-N 2.87Å; R1181-L1184 PolarHBondContact O-N 3.48Å; R1181-E1185 WeakPolarHBondContact O-CG 3.43Å; R1181-E1185 PolarHBondContact O-N 2.8Å |
| 1182 | L | 81.2 | Confident | 73.7 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56 | -43.5 | 172.7 | -178.1 | 74.3 | 0 | 0 | 0 | 111.1 | P1120 A1123 N1178 L1179 E1185 T1186 V1213 R1216 | P1120-L1182 HydrophobicContact CB-CB 4.35Å; P1120-L1182 HydrophobicContact CB-CD1 4.4Å; P1120-L1182 HydrophobicContact CB-CD2 4.19Å; A1123-L1182 HydrophobicContact CB-CD1 4.47Å; A1123-L1182 HydrophobicContact CB-CD2 3.55Å; N1178-L1182 PolarHBondContact O-N 3.42Å; N1178-L1182 VanDerWaalsContact O-N 3.08Å; L1179-L1182 HydrophobicContact CD2-CD2 4.47Å; L1179-L1182 WeakPolarHBondContact O-CB 3.41Å; L1179-L1182 PolarHBondContact O-N 3.07Å; L1182-E1185 PolarHBondContact O-N 2.95Å; L1182-T1186 WeakPolarHBondContact O-CG2 3.27Å; L1182-T1186 PolarHBondContact O-N 3.48Å; L1182-T1186 VanDerWaalsContact O-N 3.1Å; L1182-T1186 PolarHBondContact O-OG1 3.25Å; L1182-V1213 HydrophobicContact CD1-CG1 3.91Å; L1182-V1213 HydrophobicContact CD1-CG2 3.8Å; L1182-V1213 HydrophobicContact CD2-CG1 4.36Å; L1182-V1213 HydrophobicContact CG-CG1 4.19Å; L1182-R1216 HydrophobicContact CD2-CG 4.06Å; L1182-R1216 HydrophobicContact CG-CG 4.44Å |
| 1183 | G | 71.1 | Confident | 71.4 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 11% | 0.113 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1179 L1180 R1181 T1186 S1187 | L1179-G1183 PolarHBondContact O-N 3.4Å; L1179-G1183 VanDerWaalsContact O-N 3.14Å; L1180-G1183 WeakPolarHBondContact O-CA 3.28Å; L1180-G1183 PolarHBondContact O-N 3.27Å; L1180-G1183 VanDerWaalsContact O-N 3.13Å; R1181-G1183 VanDerWaalsContact C-N 3.26Å; R1181-G1183 PolarHBondContact O-N 2.87Å; G1183-T1186 PolarHBondContact O-N 2.89Å; G1183-T1186 PolarHBondContact O-OG1 3.18Å; G1183-S1187 PolarHBondContact O-N 3.48Å; G1183-S1187 VanDerWaalsContact O-N 3.16Å; G1183-S1187 PolarHBondContact O-OG 3.27Å |
| 1184 | L | 73 | Confident | 69.2 | Low | 115 Ų | 115 | 47.6 Ų | 47.6 | 60% | 0.602 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.8 | -37.2 | 177.4 | -67.4 | 170.9 | 0 | 0 | 0 | 112.8 | L1180 R1181 T1186 S1187 S1188 | L1180-L1184 PolarHBondContact O-N 3.22Å; R1181-L1184 PolarHBondContact O-N 3.48Å; L1184-T1186 VanDerWaalsContact C-N 3.34Å; L1184-S1187 WeakPolarHBondContact CA-OG 3.35Å; L1184-S1187 PolarHBondContact O-N 3.15Å; L1184-S1187 PolarHBondContact O-OG 3.13Å; L1184-S1187 VanDerWaalsContact O-OG 3.06Å; L1184-S1188 WeakPolarHBondContact O-CB 3.42Å; L1184-S1188 PolarHBondContact O-N 3.14Å; L1184-S1188 PolarHBondContact O-OG 3.19Å |
| 1185 | E | 65.4 | Low | 67.2 | Low | 60 Ų | 60 | 52.7 Ų | 52.7 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 174.6 | -73.8 | 176 | -177.2 | 0 | 0 | 111.3 | R957 R1181 L1182 S1189 | R957-E1185 IonicContact CZ-OE1 2.77Å; R957-E1185 VanDerWaalsContact CZ-OE1 3.26Å; R957-E1185 IonicContact NE-OE1 2.79Å; R957-E1185 PolarHBondContact NE-OE1 2.95Å; R957-E1185 IonicContact NH2-OE1 3.58Å; R957-E1185 PolarHBondContact NH2-OE1 3.48Å; R1181-E1185 WeakPolarHBondContact O-CG 3.43Å; R1181-E1185 PolarHBondContact O-N 2.8Å; L1182-E1185 PolarHBondContact O-N 2.95Å; E1185-S1189 WeakPolarHBondContact O-CB 3.34Å; E1185-S1189 PolarHBondContact O-N 2.94Å; E1185-S1189 PolarHBondContact O-OG 2.89Å |
| 1186 | T | 58.3 | Low | 65 | Low | 12 Ų | 12 | 60.9 Ų | 60.9 | 7% | 0.074 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.1 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | L1182 G1183 L1184 S1189 L1190 V1213 R1216 | L1182-T1186 WeakPolarHBondContact O-CG2 3.27Å; L1182-T1186 PolarHBondContact O-N 3.48Å; L1182-T1186 VanDerWaalsContact O-N 3.1Å; L1182-T1186 PolarHBondContact O-OG1 3.25Å; G1183-T1186 PolarHBondContact O-N 2.89Å; G1183-T1186 PolarHBondContact O-OG1 3.18Å; L1184-T1186 VanDerWaalsContact C-N 3.34Å; T1186-S1189 PolarHBondContact O-N 2.92Å; T1186-S1189 PolarHBondContact O-OG 2.85Å; T1186-L1190 WeakPolarHBondContact O-CG 3.48Å; T1186-L1190 PolarHBondContact O-N 3.46Å; T1186-V1213 HydrophobicContact CG2-CB 3.4Å; T1186-V1213 VanDerWaalsContact CG2-CB 3.4Å; T1186-V1213 HydrophobicContact CG2-CG1 3.58Å; T1186-V1213 HydrophobicContact CG2-CG2 3.86Å; T1186-R1216 PolarHBondContact OG1-NH1 3.28Å |
| 1187 | S | 55.2 | Low | 62.5 | Low | 45 Ų | 45 | 65.9 Ų | 65.9 | 32% | 0.315 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69 | -39.7 | 177.9 | 45 | 0 | 0 | 0 | 0 | 112.2 | G1183 L1184 S1189 L1190 I1191 | G1183-S1187 PolarHBondContact O-N 3.48Å; G1183-S1187 VanDerWaalsContact O-N 3.16Å; G1183-S1187 PolarHBondContact O-OG 3.27Å; L1184-S1187 WeakPolarHBondContact CA-OG 3.35Å; L1184-S1187 PolarHBondContact O-N 3.15Å; L1184-S1187 PolarHBondContact O-OG 3.13Å; L1184-S1187 VanDerWaalsContact O-OG 3.06Å; S1187-S1189 VanDerWaalsContact C-N 3.3Å; S1187-S1189 PolarHBondContact O-N 2.92Å; S1187-L1190 PolarHBondContact O-N 3.32Å; S1187-I1191 WeakPolarHBondContact O-CB 3.49Å; S1187-I1191 WeakPolarHBondContact O-CD1 2.97Å; S1187-I1191 WeakPolarHBondContact O-CG1 3.44Å; S1187-I1191 PolarHBondContact O-N 3.42Å |
| 1188 | S | 54.6 | Low | 60 | Low | 70 Ų | 70 | 71.2 Ų | 71.2 | 49% | 0.49 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 172.9 | -65.8 | 0 | 0 | 0 | 0 | 112.6 | L1184 S1192 | L1184-S1188 WeakPolarHBondContact O-CB 3.42Å; L1184-S1188 PolarHBondContact O-N 3.14Å; L1184-S1188 PolarHBondContact O-OG 3.19Å; S1188-S1192 WeakPolarHBondContact O-CB 3.5Å; S1188-S1192 PolarHBondContact O-N 3.33Å; S1188-S1192 PolarHBondContact O-OG 3.33Å |
| 1189 | S | 51.5 | Low | 57.6 | Low | 60 Ų | 60 | 77.1 Ų | 77.1 | 42% | 0.42 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.8 | -38.6 | 175.8 | 71.3 | 0 | 0 | 0 | 0 | 112.9 | E1185 T1186 S1187 S1192 S1193 | E1185-S1189 WeakPolarHBondContact O-CB 3.34Å; E1185-S1189 PolarHBondContact O-N 2.94Å; E1185-S1189 PolarHBondContact O-OG 2.89Å; T1186-S1189 PolarHBondContact O-N 2.92Å; T1186-S1189 PolarHBondContact O-OG 2.85Å; S1187-S1189 VanDerWaalsContact C-N 3.3Å; S1187-S1189 PolarHBondContact O-N 2.92Å; S1189-S1192 PolarHBondContact O-N 2.92Å; S1189-S1193 WeakPolarHBondContact O-CB 3.49Å; S1189-S1193 PolarHBondContact O-N 3.41Å; S1189-S1193 PolarHBondContact O-OG 3.09Å |
| 1190 | L | 48.5 | Very low | 54.9 | Low | 104 Ų | 104 | 84.1 Ų | 84.1 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 174.5 | -73.3 | 172.1 | 0 | 0 | 0 | 111.2 | T1186 S1187 S1192 S1193 E1194 | T1186-L1190 WeakPolarHBondContact O-CG 3.48Å; T1186-L1190 PolarHBondContact O-N 3.46Å; S1187-L1190 PolarHBondContact O-N 3.32Å; L1190-S1192 VanDerWaalsContact C-N 3.26Å; L1190-S1192 PolarHBondContact O-N 3.47Å; L1190-S1193 WeakPolarHBondContact CA-OG 3.38Å; L1190-S1193 PolarHBondContact O-N 3.34Å; L1190-S1193 VanDerWaalsContact O-N 3.1Å; L1190-S1193 PolarHBondContact O-OG 2.92Å; L1190-E1194 PolarHBondContact O-N 2.97Å |
| 1191 | I | 47 | Very low | 52.3 | Low | 99 Ų | 99 | 89 Ų | 89 | 51% | 0.508 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 175.5 | -65 | 163.6 | 0 | 0 | 0 | 110.6 | S1187 I1195 | S1187-I1191 WeakPolarHBondContact O-CB 3.49Å; S1187-I1191 WeakPolarHBondContact O-CD1 2.97Å; S1187-I1191 WeakPolarHBondContact O-CG1 3.44Å; S1187-I1191 PolarHBondContact O-N 3.42Å; I1191-I1195 HydrophobicContact CG2-CD1 4.07Å; I1191-I1195 WeakPolarHBondContact O-CD1 3.19Å; I1191-I1195 VanDerWaalsContact O-CG1 3.26Å; I1191-I1195 WeakPolarHBondContact O-CG1 3.45Å; I1191-I1195 PolarHBondContact O-N 3.13Å |
| 1192 | S | 47 | Very low | 50.2 | Low | 60 Ų | 60 | 91.5 Ų | 91.5 | 42% | 0.42 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 175.9 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | S1188 S1189 L1190 I1195 Y1196 | S1188-S1192 WeakPolarHBondContact O-CB 3.5Å; S1188-S1192 PolarHBondContact O-N 3.33Å; S1188-S1192 PolarHBondContact O-OG 3.33Å; S1189-S1192 PolarHBondContact O-N 2.92Å; L1190-S1192 VanDerWaalsContact C-N 3.26Å; L1190-S1192 PolarHBondContact O-N 3.47Å; S1192-I1195 PolarHBondContact O-N 3.02Å; S1192-Y1196 WeakPolarHBondContact O-CD2 3.25Å; S1192-Y1196 PolarHBondContact O-N 2.73Å |
| 1193 | S | 44.8 | Very low | 47.6 | Very low | 54 Ų | 54 | 101 Ų | 101 | 38% | 0.378 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.3 | -36.3 | -179.3 | 64.7 | 0 | 0 | 0 | 0 | 113.6 | S1189 L1190 I1195 Y1196 S1197 | S1189-S1193 WeakPolarHBondContact O-CB 3.49Å; S1189-S1193 PolarHBondContact O-N 3.41Å; S1189-S1193 PolarHBondContact O-OG 3.09Å; L1190-S1193 WeakPolarHBondContact CA-OG 3.38Å; L1190-S1193 PolarHBondContact O-N 3.34Å; L1190-S1193 VanDerWaalsContact O-N 3.1Å; L1190-S1193 PolarHBondContact O-OG 2.92Å; S1193-I1195 VanDerWaalsContact C-N 3.29Å; S1193-I1195 PolarHBondContact O-N 2.57Å; S1193-Y1196 PolarHBondContact O-N 2.65Å; S1193-S1197 WeakPolarHBondContact O-CB 3.45Å; S1193-S1197 PolarHBondContact O-N 3.01Å; S1193-S1197 PolarHBondContact O-OG 3.41Å |
| 1194 | E | 44.1 | Very low | 45.6 | Very low | 152 Ų | 152 | 106 Ų | 106 | 71% | 0.71 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.8 | -32.7 | 175.8 | -74.8 | -177.1 | 170.8 | 0 | 0 | 111.9 | L1190 | L1190-E1194 PolarHBondContact O-N 2.97Å |
| 1195 | I | 47.7 | Very low | 43.4 | Very low | 114 Ų | 114 | 106.8 Ų | 106.8 | 59% | 0.585 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.5 | -31.7 | 177.5 | -64.3 | 168.5 | 0 | 0 | 0 | 111.5 | I1191 S1192 S1193 | I1191-I1195 HydrophobicContact CG2-CD1 4.07Å; I1191-I1195 WeakPolarHBondContact O-CD1 3.19Å; I1191-I1195 VanDerWaalsContact O-CG1 3.26Å; I1191-I1195 WeakPolarHBondContact O-CG1 3.45Å; I1191-I1195 PolarHBondContact O-N 3.13Å; S1192-I1195 PolarHBondContact O-N 3.02Å; S1193-I1195 VanDerWaalsContact C-N 3.29Å; S1193-I1195 PolarHBondContact O-N 2.57Å |
| 1196 | Y | 46 | Very low | 41.6 | Very low | 174 Ų | 174 | 108.1 Ų | 108.1 | 68% | 0.682 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -95.1 | -22.8 | -178.1 | -70.3 | -68 | 0 | 0 | 0 | 115.4 | S1192 S1193 N1198 N1199 | S1192-Y1196 WeakPolarHBondContact O-CD2 3.25Å; S1192-Y1196 PolarHBondContact O-N 2.73Å; S1193-Y1196 PolarHBondContact O-N 2.65Å; Y1196-N1198 PolarHBondContact O-N 2.9Å; Y1196-N1198 VanDerWaalsContact O-N 3.11Å; Y1196-N1199 PolarHBondContact O-N 3.4Å |
| 1197 | S | 38.7 | Very low | 40.1 | Very low | 106 Ų | 106 | 112.9 Ų | 112.9 | 74% | 0.741 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -7 | 176.9 | -84.3 | 0 | 0 | 0 | 0 | 114.3 | S1193 N1199 | S1193-S1197 WeakPolarHBondContact O-CB 3.45Å; S1193-S1197 PolarHBondContact O-N 3.01Å; S1193-S1197 PolarHBondContact O-OG 3.41Å; S1197-N1199 VanDerWaalsContact C-N 3.34Å |
| 1198 | N | 37.1 | Very low | 38.9 | Very low | 145 Ų | 145 | 115.3 Ų | 115.3 | 78% | 0.775 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 5.7 | 174.4 | -138.3 | 14.8 | 0 | 0 | 0 | 114.2 | Y1196 | Y1196-N1198 PolarHBondContact O-N 2.9Å; Y1196-N1198 VanDerWaalsContact O-N 3.11Å |
| 1199 | N | 38.3 | Very low | 37.8 | Very low | 135 Ų | 135 | 120 Ų | 120 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | trans | -117.4 | 98.2 | 173.6 | -88.7 | -13.6 | 0 | 0 | 0 | 111.3 | Y1196 S1197 | Y1196-N1199 PolarHBondContact O-N 3.4Å; S1197-N1199 VanDerWaalsContact C-N 3.34Å | ||
| 1200 | N | 33 | Very low | 37.2 | Very low | 148 Ų | 148 | 122 Ų | 122 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | trans | -57.1 | 141.6 | 156.3 | -74.4 | -35.1 | 0 | 0 | 0 | 109.7 | ||||
| 1201 | N | 34.6 | Very low | 36.9 | Very low | 162 Ų | 162 | 122 Ų | 122 | 87% | 0.866 | 70% | 0.696 | S | S | * | * | trans | 89 | 91.7 | 173.7 | -54.3 | -23.4 | 0 | 0 | 0 | 116.6 | ||||
| 1202 | A | 36.7 | Very low | 37.3 | Very low | 91 Ų | 91 | 120.3 Ų | 120.3 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | -177.6 | 114.3 | 125.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | T1204 | A1202-T1204 PolarHBondContact O-N 3.01Š| |||
| 1203 | Q | 27.6 | Very low | 37.9 | Very low | 204 Ų | 204 | 119.1 Ų | 119.1 | 95% | 0.953 | 68% | 0.684 | S | S | * | * | trans | -67 | 105.5 | 162.9 | -71.5 | 167.2 | -15.4 | 0 | 0 | 108.6 | ||||
| 1204 | T | 29.7 | Very low | 39.2 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 71% | 0.712 | 69% | 0.691 | S | S | * | * | trans | -136.1 | 107.4 | 157.8 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | A1202 S1206 | A1202-T1204 PolarHBondContact O-N 3.01Å; T1204-S1206 PolarHBondContact O-N 2.94Å | ||
| 1205 | S | 26.4 | Very low | 41.2 | Very low | 131 Ų | 131 | 116.6 Ų | 116.6 | 92% | 0.916 | 66% | 0.664 | S | S | * | * | trans | -56.3 | 93.3 | 166.3 | 47.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1206 | S | 27.7 | Very low | 43.2 | Very low | 88 Ų | 88 | 114.6 Ų | 114.6 | 62% | 0.615 | 65% | 0.649 | S | S | * | * | trans | -127.9 | 98.7 | 157.6 | 57.1 | 0 | 0 | 0 | 0 | 107.7 | T1204 S1208 | T1204-S1206 PolarHBondContact O-N 2.94Å; S1206-S1208 PolarHBondContact O-N 3.42Å | ||
| 1207 | S | 26.1 | Very low | 45.3 | Very low | 113 Ų | 113 | 107.5 Ų | 107.5 | 79% | 0.79 | 62% | 0.623 | S | S | * | * | trans | -68.6 | 44.6 | 179.1 | 55.5 | 0 | 0 | 0 | 0 | 113 | H1209 | S1207-H1209 VanDerWaalsContact C-N 3.27Å; S1207-H1209 PolarHBondContact O-N 3.29Å; S1207-H1209 VanDerWaalsContact O-N 3.11Å | ||
| 1208 | S | 30.2 | Very low | 47.9 | Very low | 96 Ų | 96 | 102.7 Ų | 102.7 | 67% | 0.671 | 59% | 0.589 | S | S | * | * | trans | -77.5 | 91 | 158.9 | 57.6 | 0 | 0 | 0 | 0 | 105.8 | S1206 S1210 | S1206-S1208 PolarHBondContact O-N 3.42Å; S1208-S1210 PolarHBondContact O-N 3.49Å | ||
| 1209 | H | 31.4 | Very low | 50.6 | Low | 168 Ų | 168 | 95.8 Ų | 95.8 | 78% | 0.778 | 55% | 0.552 | S | S | * | * | trans | -55 | 87.2 | 165.4 | -81.3 | -80.9 | 0 | 0 | 0 | 107.9 | S1207 L1211 | S1207-H1209 VanDerWaalsContact C-N 3.27Å; S1207-H1209 PolarHBondContact O-N 3.29Å; S1207-H1209 VanDerWaalsContact O-N 3.11Å; H1209-L1211 HydrophobicContact CB-CD1 4.16Å; H1209-L1211 PolarHBondContact O-N 3.24Å | ||
| 1210 | S | 38.8 | Very low | 53.2 | Low | 102 Ų | 102 | 89.6 Ų | 89.6 | 71% | 0.713 | 52% | 0.519 | S | S | * | . | trans | -56.6 | 92.2 | 154.9 | 165 | 0 | 0 | 0 | 0 | 104.4 | S1208 S1212 | S1208-S1210 PolarHBondContact O-N 3.49Å; S1210-S1212 PolarHBondContact O-N 2.86Å | ||
| 1211 | L | 42 | Very low | 56.1 | Low | 104 Ų | 104 | 82.6 Ų | 82.6 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | trans | -61.9 | 92 | 169.5 | -104.1 | 81.7 | 0 | 0 | 0 | 105.3 | R1124 H1209 V1213 | R1124-L1211 HydrophobicContact CB-CD2 3.92Å; H1209-L1211 HydrophobicContact CB-CD1 4.16Å; H1209-L1211 PolarHBondContact O-N 3.24Å; L1211-V1213 PolarHBondContact O-N 3.14Å | ||
| 1212 | S | 54.8 | Low | 58.9 | Low | 64 Ų | 64 | 74.9 Ų | 74.9 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | trans | -53.2 | 125 | 173.9 | 61.5 | 0 | 0 | 0 | 0 | 107.2 | S1210 K1214 | S1210-S1212 PolarHBondContact O-N 2.86Å; S1212-K1214 PolarHBondContact O-N 3.28Å; S1212-K1214 WeakPolarHBondContact OG-CE 3.4Å | ||
| 1213 | V | 59.9 | Low | 61.6 | Low | 35 Ų | 35 | 70.5 Ų | 70.5 | 21% | 0.212 | 40% | 0.404 | C | S | . | . | trans | -69.3 | 105.5 | 174.9 | 179 | 0 | 0 | 0 | 0 | 107.4 | A1123 R1124 L1182 T1186 L1211 R1216 | A1123-V1213 HydrophobicContact CB-CG1 3.77Å; R1124-V1213 HydrophobicContact CG-CG2 4.36Å; L1182-V1213 HydrophobicContact CD1-CG1 3.91Å; L1182-V1213 HydrophobicContact CD1-CG2 3.8Å; L1182-V1213 HydrophobicContact CD2-CG1 4.36Å; L1182-V1213 HydrophobicContact CG-CG1 4.19Å; T1186-V1213 HydrophobicContact CG2-CB 3.4Å; T1186-V1213 VanDerWaalsContact CG2-CB 3.4Å; T1186-V1213 HydrophobicContact CG2-CG1 3.58Å; T1186-V1213 HydrophobicContact CG2-CG2 3.86Å; L1211-V1213 PolarHBondContact O-N 3.14Å; V1213-R1216 HydrophobicContact CG1-CB 3.89Å | ||
| 1214 | K | 72.5 | Confident | 64.8 | Low | 124 Ų | 124 | 61 Ų | 61 | 54% | 0.539 | 36% | 0.359 | S | S | . | . | trans | -94 | -33.4 | -175.1 | -69.1 | 177.2 | -170.4 | 167.7 | 0 | 113.2 | A1123 D1126 S1212 | A1123-K1214 PolarHBondContact O-N 3.17Å; D1126-K1214 WeakPolarHBondContact OD1-CD 3.44Å; D1126-K1214 IonicContact OD1-NZ 2.97Å; D1126-K1214 PolarHBondContact OD1-NZ 3.13Å; S1212-K1214 PolarHBondContact O-N 3.28Å; S1212-K1214 WeakPolarHBondContact OG-CE 3.4Å | ||
| 1215 | H | 85.7 | Confident | 67.8 | Low | 29 Ų | 29 | 56.8 Ų | 56.8 | 13% | 0.134 | 33% | 0.333 | C | S | . | . | trans | -116 | 29.6 | -167.8 | -58.2 | -74.4 | 0 | 0 | 0 | 113.8 | A1123 Q1125 D1126 D1217 S1218 I1219 | A1123-H1215 PolarHBondContact O-N 3.33Å; A1123-H1215 VanDerWaalsContact O-N 3.15Å; Q1125-H1215 PolarHBondContact O-CD2 2.98Å; D1126-H1215 PolarHBondContact O-NE2 2.59Å; H1215-D1217 VanDerWaalsContact C-N 3.3Å; H1215-D1217 PolarHBondContact O-N 3.31Å; H1215-S1218 WeakPolarHBondContact O-CB 3.14Å; H1215-S1218 PolarHBondContact O-N 3.47Å; H1215-S1218 VanDerWaalsContact O-N 3.1Å; H1215-I1219 PolarHBondContact O-N 3.36Å | ||
| 1216 | R | 89.8 | Confident | 71 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -50.7 | -49.7 | 179.6 | -178.7 | -166.1 | 67.3 | -169.7 | 1.2 | 112.3 | L1182 T1186 V1213 S1218 I1219 Y1220 | L1182-R1216 HydrophobicContact CD2-CG 4.06Å; L1182-R1216 HydrophobicContact CG-CG 4.44Å; T1186-R1216 PolarHBondContact OG1-NH1 3.28Å; V1213-R1216 HydrophobicContact CG1-CB 3.89Å; R1216-S1218 VanDerWaalsContact C-N 3.25Å; R1216-S1218 PolarHBondContact O-N 2.62Å; R1216-I1219 PolarHBondContact O-N 3.22Å; R1216-I1219 VanDerWaalsContact O-N 3.08Å; R1216-Y1220 HydrophobicContact CG-CD1 4.5Å; R1216-Y1220 HydrophobicContact CG-CE1 3.91Å; R1216-Y1220 HydrophobicContact CG-CE2 4.09Å; R1216-Y1220 PolarHBondContact O-N 3.18Å; R1216-Y1220 VanDerWaalsContact O-N 3.13Å |
| 1217 | D | 90.7 | Very high | 74.1 | Confident | 25 Ų | 25 | 46.5 Ų | 46.5 | 13% | 0.134 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.2 | -36 | -176.7 | -66.3 | -2.9 | 0 | 0 | 0 | 110.9 | H1215 I1219 Y1220 I1221 A1250 S1253 I1254 | H1215-D1217 VanDerWaalsContact C-N 3.3Å; H1215-D1217 PolarHBondContact O-N 3.31Å; D1217-I1219 VanDerWaalsContact C-N 3.33Å; D1217-I1219 PolarHBondContact O-N 3.32Å; D1217-Y1220 PolarHBondContact O-N 2.74Å; D1217-I1221 PolarHBondContact O-N 2.93Å; D1217-A1250 HydrophobicContact CB-CB 3.7Å; D1217-A1250 WeakPolarHBondContact O-CB 3.13Å; D1217-S1253 WeakPolarHBondContact OD2-CB 3.27Å; D1217-S1253 PolarHBondContact OD2-OG 2.8Å; D1217-I1254 HydrophobicContact CB-CD1 4.08Å; D1217-I1254 HydrophobicContact CB-CG1 4.32Å |
| 1218 | S | 92.6 | Very high | 77.2 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.028 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -37.8 | 175.2 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | S1128 Y1130 H1215 R1216 I1221 V1222 | S1128-S1218 WeakPolarHBondContact O-CB 3.32Å; S1128-S1218 PolarHBondContact O-OG 2.71Å; Y1130-S1218 PolarHBondContact N-OG 2.99Å; H1215-S1218 WeakPolarHBondContact O-CB 3.14Å; H1215-S1218 PolarHBondContact O-N 3.47Å; H1215-S1218 VanDerWaalsContact O-N 3.1Å; R1216-S1218 VanDerWaalsContact C-N 3.25Å; R1216-S1218 PolarHBondContact O-N 2.62Å; S1218-I1221 WeakPolarHBondContact O-CB 3.41Å; S1218-I1221 PolarHBondContact O-N 3.49Å; S1218-V1222 PolarHBondContact O-N 2.64Å; S1218-V1222 VanDerWaalsContact O-N 3.12Å |
| 1219 | I | 93.8 | Very high | 80 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.7 | -29.6 | 178.8 | -55.1 | -45.5 | 0 | 0 | 0 | 112.1 | F1119 L1122 A1123 L1179 H1215 R1216 D1217 I1221 V1222 F1223 | F1119-I1219 HydrophobicContact CD1-CG2 4.02Å; F1119-I1219 HydrophobicContact CE1-CG2 3.55Å; F1119-I1219 HydrophobicContact CZ-CG2 4.15Å; L1122-I1219 HydrophobicContact CB-CD1 3.44Å; L1122-I1219 VanDerWaalsContact CB-CD1 3.44Å; L1122-I1219 HydrophobicContact CB-CG1 3.97Å; L1122-I1219 HydrophobicContact CD1-CD1 4.46Å; A1123-I1219 HydrophobicContact CB-CB 4.46Å; A1123-I1219 HydrophobicContact CB-CG1 3.69Å; L1179-I1219 HydrophobicContact CD2-CG2 3.8Å; H1215-I1219 PolarHBondContact O-N 3.36Å; R1216-I1219 PolarHBondContact O-N 3.22Å; R1216-I1219 VanDerWaalsContact O-N 3.08Å; D1217-I1219 VanDerWaalsContact C-N 3.33Å; D1217-I1219 PolarHBondContact O-N 3.32Å; I1219-I1221 PolarHBondContact O-N 3.26Å; I1219-V1222 PolarHBondContact O-N 3.22Å; I1219-F1223 WeakPolarHBondContact O-CB 3.38Å; I1219-F1223 PolarHBondContact O-N 2.93Å |
| 1220 | Y | 94.1 | Very high | 82.9 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.5 | -34.6 | 171.3 | -68.6 | -4.5 | 0 | 0 | 0 | 111.6 | L1179 R1216 D1217 D1224 F1242 L1246 A1250 | L1179-Y1220 HydrophobicContact CB-CD1 4.48Å; L1179-Y1220 HydrophobicContact CB-CE1 3.97Å; L1179-Y1220 HydrophobicContact CD2-CD1 4.33Å; L1179-Y1220 HydrophobicContact CD2-CE1 4.24Å; L1179-Y1220 PolarHBondContact O-OH 3.45Å; R1216-Y1220 HydrophobicContact CG-CD1 4.5Å; R1216-Y1220 HydrophobicContact CG-CE1 3.91Å; R1216-Y1220 HydrophobicContact CG-CE2 4.09Å; R1216-Y1220 PolarHBondContact O-N 3.18Å; R1216-Y1220 VanDerWaalsContact O-N 3.13Å; D1217-Y1220 PolarHBondContact O-N 2.74Å; Y1220-D1224 PolarHBondContact O-N 3.43Å; Y1220-F1242 HydrophobicContact CD1-CE1 4.49Å; Y1220-F1242 HydrophobicContact CD1-CE2 4.38Å; Y1220-F1242 AromaticContact CD1-CZ 3.64Å; Y1220-F1242 HydrophobicContact CD1-CZ 3.64Å; Y1220-F1242 HydrophobicContact CD2-CE1 4.43Å; Y1220-F1242 AromaticContact CD2-CZ 3.9Å; Y1220-F1242 HydrophobicContact CD2-CZ 3.9Å; Y1220-F1242 HydrophobicContact CE1-CE2 4.1Å; Y1220-F1242 AromaticContact CE1-CZ 3.69Å; Y1220-F1242 HydrophobicContact CE1-CZ 3.69Å; Y1220-F1242 AromaticContact CE2-CZ 3.94Å; Y1220-F1242 HydrophobicContact CE2-CZ 3.94Å; Y1220-F1242 HydrophobicContact CG-CE1 4.26Å; Y1220-F1242 AromaticContact CG-CZ 3.75Å; Y1220-F1242 HydrophobicContact CG-CZ 3.75Å; Y1220-F1242 AromaticContact CZ-CZ 3.82Å; Y1220-L1246 HydrophobicContact CD2-CB 4.27Å; Y1220-L1246 HydrophobicContact CE2-CB 4.26Å; Y1220-A1250 HydrophobicContact CD2-CB 4.45Å |
| 1221 | I | 92.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.7 | -41.6 | 173.4 | -64.6 | 174.5 | 0 | 0 | 0 | 111.5 | Y1130 D1217 S1218 I1219 F1223 D1224 N1225 A1250 Y1251 I1254 | Y1130-I1221 HydrophobicContact CD1-CD1 3.75Å; Y1130-I1221 HydrophobicContact CD1-CG2 4.39Å; Y1130-I1221 HydrophobicContact CD2-CG2 4.01Å; Y1130-I1221 HydrophobicContact CE1-CD1 4.01Å; Y1130-I1221 HydrophobicContact CE1-CG2 4.01Å; Y1130-I1221 HydrophobicContact CE2-CG2 3.62Å; Y1130-I1221 HydrophobicContact CG-CD1 4.17Å; Y1130-I1221 HydrophobicContact CG-CG2 4.37Å; D1217-I1221 PolarHBondContact O-N 2.93Å; S1218-I1221 WeakPolarHBondContact O-CB 3.41Å; S1218-I1221 PolarHBondContact O-N 3.49Å; I1219-I1221 PolarHBondContact O-N 3.26Å; I1221-F1223 VanDerWaalsContact C-N 3.25Å; I1221-F1223 PolarHBondContact O-N 3.32Å; I1221-D1224 WeakPolarHBondContact O-CB 3.31Å; I1221-D1224 PolarHBondContact O-N 3.4Å; I1221-N1225 PolarHBondContact O-N 3.41Å; I1221-A1250 HydrophobicContact CG1-CB 4.36Å; I1221-Y1251 HydrophobicContact CD1-CD1 3.58Å; I1221-Y1251 HydrophobicContact CD1-CD2 4.41Å; I1221-Y1251 HydrophobicContact CD1-CE1 3.69Å; I1221-Y1251 HydrophobicContact CD1-CE2 4.49Å; I1221-Y1251 HydrophobicContact CD1-CG 3.97Å; I1221-Y1251 HydrophobicContact CG1-CD1 4.13Å; I1221-Y1251 HydrophobicContact CG1-CD2 4.2Å; I1221-Y1251 HydrophobicContact CG1-CE1 3.94Å; I1221-Y1251 HydrophobicContact CG1-CE2 4Å; I1221-Y1251 HydrophobicContact CG1-CG 4.26Å; I1221-Y1251 HydrophobicContact CG2-CE1 3.89Å; I1221-I1254 HydrophobicContact CD1-CD1 3.38Å; I1221-I1254 HydrophobicContact CG1-CD1 4.46Å |
| 1222 | V | 93.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 174.6 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | F1119 N1137 H1142 S1218 I1219 N1225 L1226 | F1119-V1222 HydrophobicContact CE2-CG1 4Å; F1119-V1222 HydrophobicContact CZ-CB 4.14Å; F1119-V1222 HydrophobicContact CZ-CG1 3.71Å; N1137-V1222 WeakPolarHBondContact OD1-CG2 3.42Å; H1142-V1222 HydrophobicContact CB-CG2 4.3Å; S1218-V1222 PolarHBondContact O-N 2.64Å; S1218-V1222 VanDerWaalsContact O-N 3.12Å; I1219-V1222 PolarHBondContact O-N 3.22Å; V1222-N1225 PolarHBondContact O-N 3.2Å; V1222-L1226 PolarHBondContact O-N 3.11Å |
| 1223 | F | 94.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 176.2 | -174.4 | -120.9 | 0 | 0 | 0 | 112.7 | F1119 L1172 A1175 S1176 L1179 I1219 I1221 N1225 L1226 I1227 Q1238 F1242 | F1119-F1223 HydrophobicContact CE1-CB 4.04Å; F1119-F1223 HydrophobicContact CE1-CD2 4.3Å; F1119-F1223 HydrophobicContact CZ-CB 4.37Å; L1172-F1223 HydrophobicContact CD1-CE1 4.31Å; L1172-F1223 HydrophobicContact CD1-CE2 4.27Å; L1172-F1223 HydrophobicContact CD1-CZ 3.59Å; A1175-F1223 HydrophobicContact CB-CD2 4.36Å; A1175-F1223 HydrophobicContact CB-CE2 3.56Å; A1175-F1223 HydrophobicContact CB-CZ 4.15Å; S1176-F1223 WeakPolarHBondContact OG-CZ 3.38Å; L1179-F1223 HydrophobicContact CD1-CB 3.71Å; L1179-F1223 HydrophobicContact CD1-CD1 3.68Å; L1179-F1223 HydrophobicContact CD1-CD2 3.73Å; L1179-F1223 HydrophobicContact CD1-CE1 4.16Å; L1179-F1223 HydrophobicContact CD1-CE2 4.22Å; L1179-F1223 HydrophobicContact CD1-CG 3.42Å; L1179-F1223 VanDerWaalsContact CD1-CG 3.42Å; L1179-F1223 HydrophobicContact CD1-CZ 4.39Å; I1219-F1223 WeakPolarHBondContact O-CB 3.38Å; I1219-F1223 PolarHBondContact O-N 2.93Å; I1221-F1223 VanDerWaalsContact C-N 3.25Å; I1221-F1223 PolarHBondContact O-N 3.32Å; F1223-N1225 VanDerWaalsContact C-N 3.35Å; F1223-L1226 WeakPolarHBondContact O-CB 3.43Å; F1223-L1226 PolarHBondContact O-N 3.26Å; F1223-I1227 HydrophobicContact CD1-CD1 4.01Å; F1223-I1227 HydrophobicContact CD2-CD1 4.3Å; F1223-I1227 HydrophobicContact CE1-CD1 3.67Å; F1223-I1227 HydrophobicContact CE2-CD1 3.97Å; F1223-I1227 HydrophobicContact CG-CD1 4.32Å; F1223-I1227 HydrophobicContact CZ-CD1 3.68Å; F1223-I1227 WeakPolarHBondContact O-CG1 3.48Å; F1223-I1227 PolarHBondContact O-N 3.45Å; F1223-Q1238 HydrophobicContact CE1-CG 4.49Å; F1223-F1242 HydrophobicContact CD1-CD1 4.27Å; F1223-F1242 HydrophobicContact CD1-CG 4.32Å; F1223-F1242 HydrophobicContact CE1-CB 3.99Å; F1223-F1242 HydrophobicContact CE1-CD1 4.28Å; F1223-F1242 HydrophobicContact CE1-CD2 4.34Å; F1223-F1242 AromaticContact CE1-CG 3.94Å; F1223-F1242 HydrophobicContact CE1-CG 3.94Å |
| 1224 | D | 94.7 | Very high | 90.6 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.3 | -45.8 | 172.6 | -176.9 | 49.8 | 0 | 0 | 0 | 111.6 | Y1220 I1221 L1226 I1227 K1228 I1247 Y1251 | Y1220-D1224 PolarHBondContact O-N 3.43Å; I1221-D1224 WeakPolarHBondContact O-CB 3.31Å; I1221-D1224 PolarHBondContact O-N 3.4Å; D1224-L1226 PolarHBondContact O-N 3.38Å; D1224-I1227 PolarHBondContact O-N 3.42Å; D1224-K1228 WeakPolarHBondContact O-CG 3.26Å; D1224-K1228 PolarHBondContact O-N 3.44Å; D1224-K1228 IonicContact OD1-NZ 3.26Å; D1224-K1228 WeakPolarHBondContact OD2-CE 3.46Å; D1224-K1228 IonicContact OD2-NZ 2.64Å; D1224-K1228 PolarHBondContact OD2-NZ 3.45Å; D1224-I1247 HydrophobicContact CB-CD1 4.13Å; D1224-I1247 HydrophobicContact CB-CG2 3.91Å; D1224-Y1251 PolarHBondContact OD2-OH 3.49Å |
| 1225 | N | 91 | Very high | 91.3 | Very high | 28 Ų | 28 | 28.6 Ų | 28.6 | 15% | 0.15 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.9 | -36.9 | 178.2 | -71.8 | -21.8 | 0 | 0 | 0 | 112.9 | I1221 V1222 F1223 I1227 K1228 Q1229 | I1221-N1225 PolarHBondContact O-N 3.41Å; V1222-N1225 PolarHBondContact O-N 3.2Å; F1223-N1225 VanDerWaalsContact C-N 3.35Å; N1225-I1227 VanDerWaalsContact C-N 3.29Å; N1225-I1227 PolarHBondContact O-N 2.97Å; N1225-K1228 PolarHBondContact O-N 3.32Å; N1225-Q1229 VanDerWaalsContact O-CG 3.31Å; N1225-Q1229 WeakPolarHBondContact O-CG 3.35Å; N1225-Q1229 PolarHBondContact O-N 2.86Å; N1225-Q1229 VanDerWaalsContact O-N 3.17Å |
| 1226 | L | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.3 | -44.9 | 173.1 | -174.5 | 161.3 | 0 | 0 | 0 | 111.1 | A1145 I1148 N1149 F1171 V1222 F1223 D1224 Q1229 S1230 | A1145-L1226 HydrophobicContact CB-CB 3.94Å; A1145-L1226 HydrophobicContact CB-CG 4.39Å; I1148-L1226 HydrophobicContact CB-CD1 4.22Å; I1148-L1226 HydrophobicContact CD1-CD1 3.48Å; I1148-L1226 VanDerWaalsContact CD1-CD1 3.48Å; I1148-L1226 HydrophobicContact CG1-CD1 4.46Å; I1148-L1226 HydrophobicContact CG2-CD1 4.21Å; N1149-L1226 PolarHBondContact ND2-O 3.23Å; F1171-L1226 HydrophobicContact CD1-CD2 4.46Å; F1171-L1226 HydrophobicContact CE1-CD1 3.83Å; F1171-L1226 HydrophobicContact CE1-CD2 3.73Å; F1171-L1226 HydrophobicContact CE1-CG 4.49Å; F1171-L1226 HydrophobicContact CZ-CD1 3.94Å; V1222-L1226 PolarHBondContact O-N 3.11Å; F1223-L1226 WeakPolarHBondContact O-CB 3.43Å; F1223-L1226 PolarHBondContact O-N 3.26Å; D1224-L1226 PolarHBondContact O-N 3.38Å; L1226-Q1229 PolarHBondContact O-N 3.12Å; L1226-S1230 PolarHBondContact O-N 3.46Å |
| 1227 | I | 94.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.9 | -42.1 | -177.5 | -68.7 | 160.3 | 0 | 0 | 0 | 111.1 | L1172 F1223 D1224 N1225 Q1229 S1230 L1233 Q1238 | L1172-I1227 HydrophobicContact CD1-CD1 3.35Å; L1172-I1227 HydrophobicContact CD1-CG1 3.96Å; F1223-I1227 HydrophobicContact CD1-CD1 4.01Å; F1223-I1227 HydrophobicContact CD2-CD1 4.3Å; F1223-I1227 HydrophobicContact CE1-CD1 3.67Å; F1223-I1227 HydrophobicContact CE2-CD1 3.97Å; F1223-I1227 HydrophobicContact CG-CD1 4.32Å; F1223-I1227 HydrophobicContact CZ-CD1 3.68Å; F1223-I1227 WeakPolarHBondContact O-CG1 3.48Å; F1223-I1227 PolarHBondContact O-N 3.45Å; D1224-I1227 PolarHBondContact O-N 3.42Å; N1225-I1227 VanDerWaalsContact C-N 3.29Å; N1225-I1227 PolarHBondContact O-N 2.97Å; I1227-Q1229 PolarHBondContact O-N 3.44Å; I1227-S1230 WeakPolarHBondContact O-CB 3.36Å; I1227-S1230 PolarHBondContact O-N 3.23Å; I1227-L1233 HydrophobicContact CG1-CD1 4.29Å; I1227-L1233 HydrophobicContact CG2-CB 4.03Å; I1227-Q1238 HydrophobicContact CD1-CB 3.94Å; I1227-Q1238 HydrophobicContact CD1-CG 3.5Å; I1227-Q1238 VanDerWaalsContact CD1-NE2 3.29Å; I1227-Q1238 HydrophobicContact CG2-CB 4.21Å |
| 1228 | K | 91.1 | Very high | 91.5 | Very high | 128 Ų | 128 | 29 Ų | 29 | 56% | 0.557 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -58.6 | -28.7 | 175.3 | -73.2 | 175.8 | -172.9 | 162.3 | 0 | 113.7 | D1224 N1225 | D1224-K1228 WeakPolarHBondContact O-CG 3.26Å; D1224-K1228 PolarHBondContact O-N 3.44Å; D1224-K1228 IonicContact OD1-NZ 3.26Å; D1224-K1228 WeakPolarHBondContact OD2-CE 3.46Å; D1224-K1228 IonicContact OD2-NZ 2.64Å; D1224-K1228 PolarHBondContact OD2-NZ 3.45Å; N1225-K1228 PolarHBondContact O-N 3.32Å |
| 1229 | Q | 88.5 | Confident | 91.4 | Very high | 61 Ų | 61 | 34.8 Ų | 34.8 | 29% | 0.285 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -6.6 | 178.5 | -68.6 | 178.9 | 10.7 | 0 | 0 | 113.4 | Y1146 N1149 N1225 L1226 I1227 | Y1146-Q1229 VanDerWaalsContact CZ-NE2 3.28Å; Y1146-Q1229 PolarHBondContact OH-NE2 3.01Å; N1149-Q1229 WeakPolarHBondContact ND2-CB 3.25Å; N1225-Q1229 VanDerWaalsContact O-CG 3.31Å; N1225-Q1229 WeakPolarHBondContact O-CG 3.35Å; N1225-Q1229 PolarHBondContact O-N 2.86Å; N1225-Q1229 VanDerWaalsContact O-N 3.17Å; L1226-Q1229 PolarHBondContact O-N 3.12Å; I1227-Q1229 PolarHBondContact O-N 3.44Å |
| 1230 | S | 92.1 | Very high | 91.2 | Very high | 14 Ų | 14 | 39 Ų | 39 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | trans | -81.2 | 134.7 | -175.9 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | N1149 L1226 I1227 C1232 L1233 | N1149-S1230 WeakPolarHBondContact OD1-CB 3.46Å; N1149-S1230 PolarHBondContact OD1-OG 2.94Å; L1226-S1230 PolarHBondContact O-N 3.46Å; I1227-S1230 WeakPolarHBondContact O-CB 3.36Å; I1227-S1230 PolarHBondContact O-N 3.23Å; S1230-C1232 PolarHBondContact O-N 2.93Å; S1230-C1232 PolarHBondContact OG-N 3.36Å; S1230-L1233 WeakPolarHBondContact OG-CG 3.43Å | ||
| 1231 | P | 87.4 | Confident | 90.9 | Very high | 58 Ų | 58 | 40.9 Ų | 40.9 | 38% | 0.377 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -73.7 | -14.6 | 175.3 | 29.5 | -35.1 | 0 | 0 | 0 | 113.4 | D1062 V1153 | D1062-P1231 HydrophobicContact CB-CB 4.09Å; D1062-P1231 HydrophobicContact CB-CG 4.18Å; V1153-P1231 HydrophobicContact CG2-CG 3.61Å |
| 1232 | C | 87 | Confident | 90.9 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -116.9 | -13.1 | -172.9 | -59.1 | 0 | 0 | 0 | 0 | 114.3 | L1164 E1165 S1230 | L1164-C1232 VanDerWaalsContact CD2-SG 3.59Å; E1165-C1232 HydrophobicContact CB-CB 4.5Å; E1165-C1232 HydrophobicContact CG-CB 4.42Å; S1230-C1232 PolarHBondContact O-N 2.93Å; S1230-C1232 PolarHBondContact OG-N 3.36Å |
| 1233 | L | 91.4 | Very high | 90.7 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | trans | -107.6 | 130.8 | -176.1 | -58 | 177.5 | 0 | 0 | 0 | 110.4 | L1172 I1227 S1230 L1237 | L1172-L1233 HydrophobicContact CB-CD1 4.3Å; L1172-L1233 HydrophobicContact CB-CD2 4.3Å; L1172-L1233 HydrophobicContact CD2-CD2 4.31Å; I1227-L1233 HydrophobicContact CG1-CD1 4.29Å; I1227-L1233 HydrophobicContact CG2-CB 4.03Å; S1230-L1233 WeakPolarHBondContact OG-CG 3.43Å; L1233-L1237 HydrophobicContact CD2-CD2 3.61Å | ||
| 1234 | S | 90.3 | Very high | 90.5 | Very high | 52 Ų | 52 | 48.5 Ų | 48.5 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | trans | -104.4 | 158.4 | 175.9 | 67 | 0 | 0 | 0 | 0 | 111.6 | S1236 L1237 Q1238 | S1234-S1236 PolarHBondContact O-N 3.1Å; S1234-S1236 PolarHBondContact OG-OG 2.73Å; S1234-L1237 PolarHBondContact O-N 2.86Å; S1234-L1237 VanDerWaalsContact O-N 3.13Å; S1234-L1237 WeakPolarHBondContact OG-CB 3.35Å; S1234-L1237 PolarHBondContact OG-N 3.31Å; S1234-L1237 VanDerWaalsContact OG-N 3.17Å; S1234-Q1238 PolarHBondContact O-N 3.34Å | ||
| 1235 | A | 88.3 | Confident | 90.2 | Very high | 67 Ų | 67 | 52.3 Ų | 52.3 | 55% | 0.554 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.4 | -34 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1238 E1239 | A1235-Q1238 WeakPolarHBondContact O-CB 3.2Å; A1235-Q1238 PolarHBondContact O-N 2.94Å; A1235-E1239 PolarHBondContact O-N 2.94Å |
| 1236 | S | 89.3 | Confident | 90.2 | Very high | 87 Ų | 87 | 53.7 Ų | 53.7 | 61% | 0.608 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.9 | -37.7 | 175.4 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | S1234 E1239 S1240 | S1234-S1236 PolarHBondContact O-N 3.1Å; S1234-S1236 PolarHBondContact OG-OG 2.73Å; S1236-E1239 PolarHBondContact O-N 3.41Å; S1236-S1240 PolarHBondContact O-N 2.96Å |
| 1237 | L | 89.4 | Confident | 90.1 | Very high | 43 Ų | 43 | 53.7 Ų | 53.7 | 23% | 0.225 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.7 | -39 | 175.8 | -174.9 | 68.9 | 0 | 0 | 0 | 110.7 | K1169 L1172 L1233 S1234 S1240 | K1169-L1237 HydrophobicContact CG-CD2 3.73Å; L1172-L1237 HydrophobicContact CD2-CB 4.34Å; L1172-L1237 HydrophobicContact CD2-CD2 3.84Å; L1172-L1237 HydrophobicContact CD2-CG 3.58Å; L1233-L1237 HydrophobicContact CD2-CD2 3.61Å; S1234-L1237 PolarHBondContact O-N 2.86Å; S1234-L1237 VanDerWaalsContact O-N 3.13Å; S1234-L1237 WeakPolarHBondContact OG-CB 3.35Å; S1234-L1237 PolarHBondContact OG-N 3.31Å; S1234-L1237 VanDerWaalsContact OG-N 3.17Å; L1237-S1240 WeakPolarHBondContact O-CB 3.49Å; L1237-S1240 PolarHBondContact O-N 2.78Å; L1237-S1240 PolarHBondContact O-OG 3.05Å |
| 1238 | Q | 91.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.019 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.7 | -49 | 171.3 | -178.5 | 179.6 | 19.4 | 0 | 0 | 111.6 | F1223 I1227 S1234 A1235 S1240 C1241 F1242 | F1223-Q1238 HydrophobicContact CE1-CG 4.49Å; I1227-Q1238 HydrophobicContact CD1-CB 3.94Å; I1227-Q1238 HydrophobicContact CD1-CG 3.5Å; I1227-Q1238 VanDerWaalsContact CD1-NE2 3.29Å; I1227-Q1238 HydrophobicContact CG2-CB 4.21Å; S1234-Q1238 PolarHBondContact O-N 3.34Å; A1235-Q1238 WeakPolarHBondContact O-CB 3.2Å; A1235-Q1238 PolarHBondContact O-N 2.94Å; Q1238-S1240 PolarHBondContact O-N 2.9Å; Q1238-C1241 CarbonylContact O-C 3.59Å; Q1238-C1241 PolarHBondContact O-N 2.93Å; Q1238-F1242 HydrophobicContact CG-CB 4.37Å; Q1238-F1242 WeakPolarHBondContact O-CA 3.5Å; Q1238-F1242 PolarHBondContact O-N 2.89Å |
| 1239 | E | 90.8 | Very high | 89.9 | Confident | 127 Ų | 127 | 58.3 Ų | 58.3 | 59% | 0.593 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.7 | -31.4 | -179 | -172 | 169.7 | -160.1 | 0 | 0 | 112.7 | A1235 S1236 C1241 F1242 | A1235-E1239 PolarHBondContact O-N 2.94Å; S1236-E1239 PolarHBondContact O-N 3.41Å; E1239-C1241 VanDerWaalsContact C-N 3.25Å; E1239-C1241 PolarHBondContact O-N 3.42Å; E1239-F1242 WeakPolarHBondContact CA-O 3.43Å |
| 1240 | S | 89 | Confident | 90 | Very high | 87 Ų | 87 | 55.4 Ų | 55.4 | 61% | 0.608 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66 | -23.9 | 176.3 | 78.8 | 0 | 0 | 0 | 0 | 114.3 | S1236 L1237 Q1238 | S1236-S1240 PolarHBondContact O-N 2.96Å; L1237-S1240 WeakPolarHBondContact O-CB 3.49Å; L1237-S1240 PolarHBondContact O-N 2.78Å; L1237-S1240 PolarHBondContact O-OG 3.05Å; Q1238-S1240 PolarHBondContact O-N 2.9Å |
| 1241 | C | 88.4 | Confident | 89.9 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 31% | 0.311 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -117.6 | -23.9 | -176.3 | -65.7 | 0 | 0 | 0 | 0 | 113.2 | S1176 Q1238 E1239 | S1176-C1241 WeakPolarHBondContact CB-O 3.5Å; Q1238-C1241 CarbonylContact O-C 3.59Å; Q1238-C1241 PolarHBondContact O-N 2.93Å; E1239-C1241 VanDerWaalsContact C-N 3.25Å; E1239-C1241 PolarHBondContact O-N 3.42Å |
| 1242 | F | 91.2 | Very high | 90 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -143.5 | 107.1 | -176.2 | -165.2 | -94.8 | 0 | 0 | 0 | 110.2 | L1179 L1180 Y1220 F1223 Q1238 E1239 Y1244 L1246 I1247 | L1179-F1242 HydrophobicContact CB-CD2 4.44Å; L1179-F1242 HydrophobicContact CB-CE2 3.81Å; L1180-F1242 HydrophobicContact CD2-CD2 3.98Å; L1180-F1242 HydrophobicContact CD2-CE2 3.9Å; L1180-F1242 HydrophobicContact CG-CD2 3.9Å; L1180-F1242 HydrophobicContact CG-CE2 4.03Å; Y1220-F1242 HydrophobicContact CD1-CE1 4.49Å; Y1220-F1242 HydrophobicContact CD1-CE2 4.38Å; Y1220-F1242 AromaticContact CD1-CZ 3.64Å; Y1220-F1242 HydrophobicContact CD1-CZ 3.64Å; Y1220-F1242 HydrophobicContact CD2-CE1 4.43Å; Y1220-F1242 AromaticContact CD2-CZ 3.9Å; Y1220-F1242 HydrophobicContact CD2-CZ 3.9Å; Y1220-F1242 HydrophobicContact CE1-CE2 4.1Å; Y1220-F1242 AromaticContact CE1-CZ 3.69Å; Y1220-F1242 HydrophobicContact CE1-CZ 3.69Å; Y1220-F1242 AromaticContact CE2-CZ 3.94Å; Y1220-F1242 HydrophobicContact CE2-CZ 3.94Å; Y1220-F1242 HydrophobicContact CG-CE1 4.26Å; Y1220-F1242 AromaticContact CG-CZ 3.75Å; Y1220-F1242 HydrophobicContact CG-CZ 3.75Å; Y1220-F1242 AromaticContact CZ-CZ 3.82Å; F1223-F1242 HydrophobicContact CD1-CD1 4.27Å; F1223-F1242 HydrophobicContact CD1-CG 4.32Å; F1223-F1242 HydrophobicContact CE1-CB 3.99Å; F1223-F1242 HydrophobicContact CE1-CD1 4.28Å; F1223-F1242 HydrophobicContact CE1-CD2 4.34Å; F1223-F1242 AromaticContact CE1-CG 3.94Å; F1223-F1242 HydrophobicContact CE1-CG 3.94Å; Q1238-F1242 HydrophobicContact CG-CB 4.37Å; Q1238-F1242 WeakPolarHBondContact O-CA 3.5Å; Q1238-F1242 PolarHBondContact O-N 2.89Å; E1239-F1242 WeakPolarHBondContact CA-O 3.43Å; F1242-Y1244 PolarHBondContact O-N 2.96Å; F1242-L1246 HydrophobicContact CE1-CB 4.02Å; F1242-L1246 HydrophobicContact CE1-CD1 4.3Å; F1242-L1246 HydrophobicContact CE2-CD1 4.19Å; F1242-L1246 HydrophobicContact CZ-CB 4.21Å; F1242-L1246 HydrophobicContact CZ-CD1 3.94Å; F1242-I1247 HydrophobicContact CD1-CD1 4.04Å; F1242-I1247 HydrophobicContact CD1-CG1 4Å; F1242-I1247 HydrophobicContact CE1-CD1 4.26Å; F1242-I1247 HydrophobicContact CE1-CG1 3.72Å |
| 1243 | P | 90.8 | Very high | 90 | Very high | 57 Ų | 57 | 60.2 Ų | 60.2 | 37% | 0.37 | 34% | 0.339 | S | S | . | . | trans | -58.3 | 125.8 | -173.9 | -25.6 | 33.5 | 0 | 0 | 0 | 113.1 | S1245 L1246 | P1243-S1245 PolarHBondContact O-N 3.33Å; P1243-S1245 VanDerWaalsContact O-N 3.13Å; P1243-L1246 HydrophobicContact CB-CD1 4.5Å; P1243-L1246 HydrophobicContact CB-CG 4.36Å; P1243-L1246 HydrophobicContact CG-CD1 4.44Å; P1243-L1246 WeakPolarHBondContact O-CB 3.44Å; P1243-L1246 PolarHBondContact O-N 3.2Å | ||
| 1244 | Y | 89.4 | Confident | 89.8 | Confident | 104 Ų | 104 | 59.7 Ų | 59.7 | 41% | 0.408 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.7 | -24.3 | -179.9 | -172.5 | -100 | 0 | 0 | 0 | 113.1 | F1242 L1246 I1247 R1248 | F1242-Y1244 PolarHBondContact O-N 2.96Å; Y1244-L1246 PolarHBondContact O-N 2.77Å; Y1244-I1247 HydrophobicContact CD2-CB 4.39Å; Y1244-I1247 HydrophobicContact CD2-CD1 3.98Å; Y1244-I1247 HydrophobicContact CE2-CD1 4.48Å; Y1244-I1247 HydrophobicContact CE2-CG2 4.38Å; Y1244-I1247 WeakPolarHBondContact O-CB 3.47Å; Y1244-I1247 PolarHBondContact O-N 2.79Å; Y1244-I1247 VanDerWaalsContact O-N 3.1Å; Y1244-R1248 HydrophobicContact CE1-CB 4.42Å; Y1244-R1248 PolarHBondContact O-N 3.47Å |
| 1245 | S | 90.1 | Very high | 89.5 | Confident | 82 Ų | 82 | 59 Ų | 59 | 57% | 0.573 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.2 | -32.8 | 172.7 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | P1243 S1249 | P1243-S1245 PolarHBondContact O-N 3.33Å; P1243-S1245 VanDerWaalsContact O-N 3.13Å; S1245-S1249 VanDerWaalsContact O-CB 3.26Å; S1245-S1249 WeakPolarHBondContact O-CB 3.19Å; S1245-S1249 PolarHBondContact O-N 3.06Å |
| 1246 | L | 90.9 | Very high | 89.1 | Confident | 58 Ų | 58 | 63 Ų | 63 | 30% | 0.304 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 175.4 | -63.2 | 177.8 | 0 | 0 | 0 | 111.6 | L1180 Y1220 F1242 P1243 Y1244 S1249 A1250 | L1180-L1246 HydrophobicContact CD2-CD1 3.61Å; Y1220-L1246 HydrophobicContact CD2-CB 4.27Å; Y1220-L1246 HydrophobicContact CE2-CB 4.26Å; F1242-L1246 HydrophobicContact CE1-CB 4.02Å; F1242-L1246 HydrophobicContact CE1-CD1 4.3Å; F1242-L1246 HydrophobicContact CE2-CD1 4.19Å; F1242-L1246 HydrophobicContact CZ-CB 4.21Å; F1242-L1246 HydrophobicContact CZ-CD1 3.94Å; P1243-L1246 HydrophobicContact CB-CD1 4.5Å; P1243-L1246 HydrophobicContact CB-CG 4.36Å; P1243-L1246 HydrophobicContact CG-CD1 4.44Å; P1243-L1246 WeakPolarHBondContact O-CB 3.44Å; P1243-L1246 PolarHBondContact O-N 3.2Å; Y1244-L1246 PolarHBondContact O-N 2.77Å; L1246-S1249 PolarHBondContact O-N 3.16Å; L1246-A1250 WeakPolarHBondContact O-CB 3.14Å; L1246-A1250 PolarHBondContact O-N 3.01Å |
| 1247 | I | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.1 | -48 | 177.7 | -59.3 | 170.4 | 0 | 0 | 0 | 109.8 | D1224 F1242 Y1244 S1249 A1250 Y1251 | D1224-I1247 HydrophobicContact CB-CD1 4.13Å; D1224-I1247 HydrophobicContact CB-CG2 3.91Å; F1242-I1247 HydrophobicContact CD1-CD1 4.04Å; F1242-I1247 HydrophobicContact CD1-CG1 4Å; F1242-I1247 HydrophobicContact CE1-CD1 4.26Å; F1242-I1247 HydrophobicContact CE1-CG1 3.72Å; Y1244-I1247 HydrophobicContact CD2-CB 4.39Å; Y1244-I1247 HydrophobicContact CD2-CD1 3.98Å; Y1244-I1247 HydrophobicContact CE2-CD1 4.48Å; Y1244-I1247 HydrophobicContact CE2-CG2 4.38Å; Y1244-I1247 WeakPolarHBondContact O-CB 3.47Å; Y1244-I1247 PolarHBondContact O-N 2.79Å; Y1244-I1247 VanDerWaalsContact O-N 3.1Å; I1247-S1249 VanDerWaalsContact C-N 3.3Å; I1247-S1249 PolarHBondContact O-N 3.29Å; I1247-A1250 WeakPolarHBondContact O-CB 3.29Å; I1247-A1250 PolarHBondContact O-N 3.21Å; I1247-Y1251 HydrophobicContact CG2-CD2 3.88Å; I1247-Y1251 HydrophobicContact CG2-CE2 3.58Å; I1247-Y1251 VanDerWaalsContact O-CD2 3.29Å; I1247-Y1251 WeakPolarHBondContact O-CD2 3.21Å; I1247-Y1251 PolarHBondContact O-N 3.36Å |
| 1248 | R | 90.7 | Very high | 87.4 | Confident | 159 Ų | 159 | 63.6 Ų | 63.6 | 60% | 0.6 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.9 | -41.4 | 176.3 | -172.8 | 177.4 | -179.1 | 154.2 | 1.9 | 111.9 | Y1244 A1250 Y1251 H1252 | Y1244-R1248 HydrophobicContact CE1-CB 4.42Å; Y1244-R1248 PolarHBondContact O-N 3.47Å; R1248-A1250 VanDerWaalsContact C-N 3.32Å; R1248-Y1251 PolarHBondContact O-N 3.16Å; R1248-H1252 PolarHBondContact O-CD2 2.95Å; R1248-H1252 PolarHBondContact O-N 3.38Å; R1248-H1252 VanDerWaalsContact O-N 3.08Å |
| 1249 | S | 90.4 | Very high | 85.8 | Confident | 68 Ų | 68 | 67.5 Ų | 67.5 | 48% | 0.476 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 174.1 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | S1245 L1246 I1247 H1252 S1253 | S1245-S1249 VanDerWaalsContact O-CB 3.26Å; S1245-S1249 WeakPolarHBondContact O-CB 3.19Å; S1245-S1249 PolarHBondContact O-N 3.06Å; L1246-S1249 PolarHBondContact O-N 3.16Å; I1247-S1249 VanDerWaalsContact C-N 3.3Å; I1247-S1249 PolarHBondContact O-N 3.29Å; S1249-H1252 PolarHBondContact O-N 2.95Å; S1249-S1253 VanDerWaalsContact O-CB 3.26Å; S1249-S1253 WeakPolarHBondContact O-CB 3.35Å; S1249-S1253 PolarHBondContact O-N 3.29Å |
| 1250 | A | 91.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | D1217 Y1220 I1221 L1246 I1247 R1248 H1252 S1253 I1254 | D1217-A1250 HydrophobicContact CB-CB 3.7Å; D1217-A1250 WeakPolarHBondContact O-CB 3.13Å; Y1220-A1250 HydrophobicContact CD2-CB 4.45Å; I1221-A1250 HydrophobicContact CG1-CB 4.36Å; L1246-A1250 WeakPolarHBondContact O-CB 3.14Å; L1246-A1250 PolarHBondContact O-N 3.01Å; I1247-A1250 WeakPolarHBondContact O-CB 3.29Å; I1247-A1250 PolarHBondContact O-N 3.21Å; R1248-A1250 VanDerWaalsContact C-N 3.32Å; A1250-H1252 VanDerWaalsContact C-N 3.34Å; A1250-H1252 PolarHBondContact O-N 3.08Å; A1250-S1253 WeakPolarHBondContact O-CB 3.39Å; A1250-S1253 PolarHBondContact O-N 3.05Å; A1250-I1254 WeakPolarHBondContact O-CD1 3.47Å; A1250-I1254 WeakPolarHBondContact O-CG1 3.47Å; A1250-I1254 PolarHBondContact O-N 2.92Å |
| 1251 | Y | 90.3 | Very high | 82.3 | Confident | 63 Ų | 63 | 66.3 Ų | 66.3 | 25% | 0.247 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 173.6 | -78.6 | -74 | 0 | 0 | 0 | 111.9 | Y1130 I1221 D1224 I1247 R1248 I1254 A1255 | Y1130-Y1251 HydrophobicContact CE1-CE1 4.38Å; I1221-Y1251 HydrophobicContact CD1-CD1 3.58Å; I1221-Y1251 HydrophobicContact CD1-CD2 4.41Å; I1221-Y1251 HydrophobicContact CD1-CE1 3.69Å; I1221-Y1251 HydrophobicContact CD1-CE2 4.49Å; I1221-Y1251 HydrophobicContact CD1-CG 3.97Å; I1221-Y1251 HydrophobicContact CG1-CD1 4.13Å; I1221-Y1251 HydrophobicContact CG1-CD2 4.2Å; I1221-Y1251 HydrophobicContact CG1-CE1 3.94Å; I1221-Y1251 HydrophobicContact CG1-CE2 4Å; I1221-Y1251 HydrophobicContact CG1-CG 4.26Å; I1221-Y1251 HydrophobicContact CG2-CE1 3.89Å; D1224-Y1251 PolarHBondContact OD2-OH 3.49Å; I1247-Y1251 HydrophobicContact CG2-CD2 3.88Å; I1247-Y1251 HydrophobicContact CG2-CE2 3.58Å; I1247-Y1251 VanDerWaalsContact O-CD2 3.29Å; I1247-Y1251 WeakPolarHBondContact O-CD2 3.21Å; I1247-Y1251 PolarHBondContact O-N 3.36Å; R1248-Y1251 PolarHBondContact O-N 3.16Å; Y1251-I1254 PolarHBondContact O-N 3.41Å; Y1251-A1255 VanDerWaalsContact O-CB 3.31Å; Y1251-A1255 WeakPolarHBondContact O-CB 3.38Å; Y1251-A1255 PolarHBondContact O-N 3.48Å |
| 1252 | H | 88.6 | Confident | 80.2 | Confident | 106 Ų | 106 | 70 Ų | 70 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 177.1 | -83.2 | -54.7 | 0 | 0 | 0 | 113.4 | R1248 S1249 A1250 A1255 K1256 | R1248-H1252 PolarHBondContact O-CD2 2.95Å; R1248-H1252 PolarHBondContact O-N 3.38Å; R1248-H1252 VanDerWaalsContact O-N 3.08Å; S1249-H1252 PolarHBondContact O-N 2.95Å; A1250-H1252 VanDerWaalsContact C-N 3.34Å; A1250-H1252 PolarHBondContact O-N 3.08Å; H1252-A1255 PolarHBondContact O-N 3.44Å; H1252-K1256 WeakPolarHBondContact O-CG 3.46Å; H1252-K1256 PolarHBondContact O-N 2.78Å; H1252-K1256 VanDerWaalsContact O-N 3.08Å |
| 1253 | S | 86.8 | Confident | 77.7 | Confident | 40 Ų | 40 | 76.4 Ų | 76.4 | 28% | 0.28 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.9 | -48 | 177.1 | -178.3 | 0 | 0 | 0 | 0 | 111 | D1217 S1249 A1250 K1256 L1257 | D1217-S1253 WeakPolarHBondContact OD2-CB 3.27Å; D1217-S1253 PolarHBondContact OD2-OG 2.8Å; S1249-S1253 VanDerWaalsContact O-CB 3.26Å; S1249-S1253 WeakPolarHBondContact O-CB 3.35Å; S1249-S1253 PolarHBondContact O-N 3.29Å; A1250-S1253 WeakPolarHBondContact O-CB 3.39Å; A1250-S1253 PolarHBondContact O-N 3.05Å; S1253-K1256 PolarHBondContact O-N 3Å; S1253-L1257 PolarHBondContact O-N 3.1Å; S1253-L1257 VanDerWaalsContact O-N 3.13Å |
| 1254 | I | 87.2 | Confident | 75.1 | Confident | 4 Ų | 4 | 81.8 Ų | 81.8 | 2% | 0.021 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -69.6 | -36.3 | 179.4 | -65.7 | 159.9 | 0 | 0 | 0 | 111.7 | Y1130 I1132 D1217 I1221 A1250 Y1251 K1256 L1257 T1258 | Y1130-I1254 HydrophobicContact CD1-CG2 4.34Å; Y1130-I1254 VanDerWaalsContact O-CG2 3.29Å; Y1130-I1254 WeakPolarHBondContact O-CG2 3.18Å; I1132-I1254 HydrophobicContact CD1-CB 4.22Å; I1132-I1254 HydrophobicContact CD1-CG2 3.8Å; I1132-I1254 HydrophobicContact CG1-CG2 3.89Å; D1217-I1254 HydrophobicContact CB-CD1 4.08Å; D1217-I1254 HydrophobicContact CB-CG1 4.32Å; I1221-I1254 HydrophobicContact CD1-CD1 3.38Å; I1221-I1254 HydrophobicContact CG1-CD1 4.46Å; A1250-I1254 WeakPolarHBondContact O-CD1 3.47Å; A1250-I1254 WeakPolarHBondContact O-CG1 3.47Å; A1250-I1254 PolarHBondContact O-N 2.92Å; Y1251-I1254 PolarHBondContact O-N 3.41Å; I1254-K1256 VanDerWaalsContact C-N 3.28Å; I1254-K1256 PolarHBondContact O-N 2.64Å; I1254-L1257 PolarHBondContact O-N 3.19Å; I1254-T1258 PolarHBondContact O-N 2.98Å; I1254-T1258 PolarHBondContact O-OG1 3.18Å; I1254-T1258 VanDerWaalsContact O-OG1 3.11Å |
| 1255 | A | 84.7 | Confident | 72.2 | Confident | 37 Ų | 37 | 81.4 Ų | 81.4 | 31% | 0.306 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.1 | -33.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1132 Y1251 H1252 T1258 T1259 | I1132-A1255 VanDerWaalsContact CD1-CA 3.47Å; I1132-A1255 HydrophobicContact CD1-CB 3.7Å; Y1251-A1255 VanDerWaalsContact O-CB 3.31Å; Y1251-A1255 WeakPolarHBondContact O-CB 3.38Å; Y1251-A1255 PolarHBondContact O-N 3.48Å; H1252-A1255 PolarHBondContact O-N 3.44Å; A1255-T1258 WeakPolarHBondContact CA-OG1 3.22Å; A1255-T1258 PolarHBondContact O-OG1 3.19Å; A1255-T1259 WeakPolarHBondContact O-CG2 3.19Å; A1255-T1259 PolarHBondContact O-N 3.15Å; A1255-T1259 PolarHBondContact O-OG1 3.3Å |
| 1256 | K | 80.9 | Confident | 69.3 | Low | 151 Ų | 151 | 83 Ų | 83 | 66% | 0.657 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -72 | -36.8 | 174 | -74.9 | 179.2 | 179.6 | -177.3 | 0 | 112.7 | H1252 S1253 I1254 T1259 T1260 | H1252-K1256 WeakPolarHBondContact O-CG 3.46Å; H1252-K1256 PolarHBondContact O-N 2.78Å; H1252-K1256 VanDerWaalsContact O-N 3.08Å; S1253-K1256 PolarHBondContact O-N 3Å; I1254-K1256 VanDerWaalsContact C-N 3.28Å; I1254-K1256 PolarHBondContact O-N 2.64Å; K1256-T1259 WeakPolarHBondContact CA-OG1 3.42Å; K1256-T1259 PolarHBondContact O-OG1 3.47Å; K1256-T1260 PolarHBondContact O-N 2.94Å; K1256-T1260 VanDerWaalsContact O-N 3.15Å; K1256-T1260 PolarHBondContact O-OG1 3.39Å |
| 1257 | L | 74.9 | Confident | 66.2 | Low | 96 Ų | 96 | 83.8 Ų | 83.8 | 50% | 0.503 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 176.3 | -76.6 | 160.2 | 0 | 0 | 0 | 112.2 | S1253 I1254 T1260 N1261 | S1253-L1257 PolarHBondContact O-N 3.1Å; S1253-L1257 VanDerWaalsContact O-N 3.13Å; I1254-L1257 PolarHBondContact O-N 3.19Å; L1257-T1260 WeakPolarHBondContact CA-OG1 3.37Å; L1257-T1260 PolarHBondContact O-N 3.31Å; L1257-T1260 PolarHBondContact O-OG1 3.11Å; L1257-N1261 PolarHBondContact O-N 3.44Å; L1257-N1261 VanDerWaalsContact O-N 3.15Å |
| 1258 | T | 66.9 | Low | 63.2 | Low | 46 Ų | 46 | 89.2 Ų | 89.2 | 28% | 0.282 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.7 | -37.5 | 178.2 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | I1254 A1255 N1262 | I1254-T1258 PolarHBondContact O-N 2.98Å; I1254-T1258 PolarHBondContact O-OG1 3.18Å; I1254-T1258 VanDerWaalsContact O-OG1 3.11Å; A1255-T1258 WeakPolarHBondContact CA-OG1 3.22Å; A1255-T1258 PolarHBondContact O-OG1 3.19Å; T1258-N1262 PolarHBondContact O-N 3.21Å |
| 1259 | T | 58.3 | Low | 60 | Low | 87 Ų | 87 | 88.9 Ų | 88.9 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.6 | -30.8 | 176.8 | 45.4 | 0 | 0 | 0 | 0 | 113.6 | A1255 K1256 | A1255-T1259 WeakPolarHBondContact O-CG2 3.19Å; A1255-T1259 PolarHBondContact O-N 3.15Å; A1255-T1259 PolarHBondContact O-OG1 3.3Å; K1256-T1259 WeakPolarHBondContact CA-OG1 3.42Å; K1256-T1259 PolarHBondContact O-OG1 3.47Å |
| 1260 | T | 54.4 | Low | 57 | Low | 83 Ų | 83 | 94.8 Ų | 94.8 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74.1 | -43.6 | 175.7 | 32.3 | 0 | 0 | 0 | 0 | 112.4 | K1256 L1257 N1262 N1263 | K1256-T1260 PolarHBondContact O-N 2.94Å; K1256-T1260 VanDerWaalsContact O-N 3.15Å; K1256-T1260 PolarHBondContact O-OG1 3.39Å; L1257-T1260 WeakPolarHBondContact CA-OG1 3.37Å; L1257-T1260 PolarHBondContact O-N 3.31Å; L1257-T1260 PolarHBondContact O-OG1 3.11Å; T1260-N1262 VanDerWaalsContact C-N 3.3Å; T1260-N1262 PolarHBondContact O-N 3.48Å; T1260-N1263 PolarHBondContact O-N 3.29Å; T1260-N1263 VanDerWaalsContact O-N 3.16Å |
| 1261 | N | 50.8 | Low | 54 | Low | 106 Ų | 106 | 99.8 Ų | 99.8 | 57% | 0.567 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.2 | -33.4 | 177.9 | -96.8 | 3.5 | 0 | 0 | 0 | 114 | L1257 N1263 E1264 T1265 | L1257-N1261 PolarHBondContact O-N 3.44Å; L1257-N1261 VanDerWaalsContact O-N 3.15Å; N1261-N1263 PolarHBondContact O-N 3.11Å; N1261-E1264 PolarHBondContact O-N 3.43Å; N1261-T1265 PolarHBondContact O-OG1 3.21Å |
| 1262 | N | 44.7 | Very low | 51 | Low | 123 Ų | 123 | 103.8 Ų | 103.8 | 66% | 0.658 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.6 | -20.4 | 179.1 | -79.2 | -11.7 | 0 | 0 | 0 | 113.4 | T1258 T1260 | T1258-N1262 PolarHBondContact O-N 3.21Å; T1260-N1262 VanDerWaalsContact C-N 3.3Å; T1260-N1262 PolarHBondContact O-N 3.48Å |
| 1263 | N | 39.5 | Very low | 48 | Very low | 134 Ų | 134 | 104.5 Ų | 104.5 | 72% | 0.717 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -84.6 | -17.1 | 178.8 | -77.1 | -13.4 | 0 | 0 | 0 | 113.7 | T1260 N1261 | T1260-N1263 PolarHBondContact O-N 3.29Å; T1260-N1263 VanDerWaalsContact O-N 3.16Å; N1261-N1263 PolarHBondContact O-N 3.11Å |
| 1264 | E | 35.5 | Very low | 45.1 | Very low | 171 Ų | 171 | 111 Ų | 111 | 80% | 0.799 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -101.6 | -13.4 | -177.3 | -68.8 | -170.6 | 168.3 | 0 | 0 | 114.3 | N1261 | N1261-E1264 PolarHBondContact O-N 3.43Å |
| 1265 | T | 29.8 | Very low | 42.2 | Very low | 96 Ų | 96 | 116.1 Ų | 116.1 | 59% | 0.589 | 66% | 0.659 | S | S | * | * | trans | -108.1 | 34.9 | -173.7 | 45.5 | 0 | 0 | 0 | 0 | 115.1 | N1261 G1267 | N1261-T1265 PolarHBondContact O-OG1 3.21Å; T1265-G1267 PolarHBondContact O-N 3.41Å | ||
| 1266 | S | 28.4 | Very low | 39.4 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 81% | 0.811 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 16.8 | 177.5 | -41.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1267 | G | 27 | Very low | 36.8 | Very low | 73 Ų | 73 | 117.4 Ų | 117.4 | 75% | 0.753 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -15.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117 | T1265 | T1265-G1267 PolarHBondContact O-N 3.41Š|
| 1268 | T | 26.2 | Very low | 34.5 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -125.7 | 105.9 | -176.3 | 47.3 | 0 | 0 | 0 | 0 | 111 | R1270 | T1268-R1270 PolarHBondContact O-N 2.91Š|
| 1269 | T | 24.8 | Very low | 32.6 | Very low | 152 Ų | 152 | 120.3 Ų | 120.3 | 93% | 0.933 | 72% | 0.715 | S | S | * | * | trans | -45.2 | 92.6 | 166.1 | 24.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1270 | R | 27.4 | Very low | 31.2 | Very low | 191 Ų | 191 | 123 Ų | 123 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | trans | -89.1 | 112.4 | 151.1 | -81.8 | -177 | 172.8 | 172.6 | -2.8 | 106.3 | T1268 N1272 | T1268-R1270 PolarHBondContact O-N 2.91Å; R1270-N1272 PolarHBondContact O-N 3.48Å | ||
| 1271 | S | 26.2 | Very low | 29.9 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | trans | -66 | 73.9 | 174.6 | 53 | 0 | 0 | 0 | 0 | 110.3 | I1273 | S1271-I1273 VanDerWaalsContact C-N 3.26Å; S1271-I1273 PolarHBondContact O-N 3.06Å | ||
| 1272 | N | 27.6 | Very low | 28.8 | Very low | 146 Ų | 146 | 125.5 Ų | 125.5 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | -74.6 | 88.5 | 161.7 | -80.3 | -8.1 | 0 | 0 | 0 | 107 | R1270 M1274 | R1270-N1272 PolarHBondContact O-N 3.48Å; N1272-M1274 PolarHBondContact O-N 3.18Å | ||
| 1273 | I | 26.1 | Very low | 28.1 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 62% | 0.621 | 76% | 0.76 | S | S | * | * | trans | -75.8 | 68.8 | 167.3 | -53.4 | 173.6 | 0 | 0 | 0 | 107 | V655 S1271 | V655-I1273 HydrophobicContact CG1-CD1 4.42Å; S1271-I1273 VanDerWaalsContact C-N 3.26Å; S1271-I1273 PolarHBondContact O-N 3.06Å | ||
| 1274 | M | 26 | Very low | 27.6 | Very low | 177 Ų | 177 | 125.5 Ų | 125.5 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -116.8 | 85.7 | 150.8 | -75.1 | -167.7 | 81.9 | 0 | 0 | 104.7 | N1272 S1276 | N1272-M1274 PolarHBondContact O-N 3.18Å; M1274-S1276 PolarHBondContact O-N 3.4Å | ||
| 1275 | S | 25.8 | Very low | 27.3 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -59.3 | 105.3 | 179.4 | 46.6 | 0 | 0 | 0 | 0 | 110 | S1277 | S1275-S1277 PolarHBondContact O-N 3.25Š| ||
| 1276 | S | 25.7 | Very low | 27.4 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -71.2 | 102.1 | 160.6 | 47 | 0 | 0 | 0 | 0 | 108.2 | M1274 S1278 | M1274-S1276 PolarHBondContact O-N 3.4Å; S1276-S1278 PolarHBondContact O-N 3.38Å | ||
| 1277 | S | 26.2 | Very low | 27.4 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | -66.4 | 101.4 | 164.5 | 53.2 | 0 | 0 | 0 | 0 | 108.2 | S1275 S1279 | S1275-S1277 PolarHBondContact O-N 3.25Å; S1277-S1279 PolarHBondContact O-N 3.31Å | ||
| 1278 | S | 26.6 | Very low | 27.7 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -72.2 | 72.9 | 166.3 | 60.4 | 0 | 0 | 0 | 0 | 109.2 | S1276 | S1276-S1278 PolarHBondContact O-N 3.38Š| ||
| 1279 | S | 27.8 | Very low | 28 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 57% | 0.566 | 77% | 0.773 | S | S | * | * | trans | -86 | 113.3 | 161.6 | 48.3 | 0 | 0 | 0 | 0 | 107.3 | S1277 T1281 | S1277-S1279 PolarHBondContact O-N 3.31Å; S1279-T1281 PolarHBondContact O-N 2.72Å; S1279-T1281 PolarHBondContact O-OG1 3.38Å | ||
| 1280 | T | 28.2 | Very low | 28.2 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -58.3 | 82.3 | 163.9 | 30.4 | 0 | 0 | 0 | 0 | 109.1 | T1282 | T1280-T1282 PolarHBondContact O-N 3.31Š| ||
| 1281 | T | 27.2 | Very low | 28.3 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | -81.6 | 99 | 165.3 | 16.5 | 0 | 0 | 0 | 0 | 107.4 | S1279 T1283 | S1279-T1281 PolarHBondContact O-N 2.72Å; S1279-T1281 PolarHBondContact O-OG1 3.38Å; T1281-T1283 PolarHBondContact O-N 3.46Å; T1281-T1283 VanDerWaalsContact O-N 3.16Å | ||
| 1282 | T | 29.4 | Very low | 28.6 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | trans | -44.1 | 118.8 | 158.3 | 37.7 | 0 | 0 | 0 | 0 | 109.2 | T1280 T1284 | T1280-T1282 PolarHBondContact O-N 3.31Å; T1282-T1284 PolarHBondContact O-N 3.06Å | ||
| 1283 | T | 28.3 | Very low | 28.7 | Very low | 138 Ų | 138 | 140 Ų | 140 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | trans | -52.3 | 97.3 | 175.1 | 44.2 | 0 | 0 | 0 | 0 | 111.2 | T1281 | T1281-T1283 PolarHBondContact O-N 3.46Å; T1281-T1283 VanDerWaalsContact O-N 3.16Å | ||
| 1284 | T | 30 | Very low | 28.8 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 72% | 0.724 | 82% | 0.817 | S | S | * | * | trans | -105.5 | 100.6 | 158.2 | 50.9 | 0 | 0 | 0 | 0 | 107.4 | T1282 V1286 | T1282-T1284 PolarHBondContact O-N 3.06Å; T1284-V1286 PolarHBondContact O-N 2.99Å; T1284-V1286 VanDerWaalsContact O-N 3.17Å | ||
| 1285 | H | 28 | Very low | 29 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | trans | -47.2 | 114.4 | 167 | -106.7 | -92.4 | 0 | 0 | 0 | 109.6 | ||||
| 1286 | V | 32.5 | Very low | 29.2 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 79% | 0.788 | 82% | 0.816 | S | S | * | * | trans | -116.1 | 107.7 | 162.8 | 179.7 | 0 | 0 | 0 | 0 | 106.4 | T1284 G1288 | T1284-V1286 PolarHBondContact O-N 2.99Å; T1284-V1286 VanDerWaalsContact O-N 3.17Å; V1286-G1288 VanDerWaalsContact C-N 3.29Å; V1286-G1288 PolarHBondContact O-N 3.09Å | ||
| 1287 | D | 29.7 | Very low | 29.4 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | -64.8 | 84.4 | 174.6 | -76.5 | -32.7 | 0 | 0 | 0 | 110.3 | K1289 | D1287-K1289 PolarHBondContact O-N 3.26Š| ||
| 1288 | G | 32.3 | Very low | 29.6 | Very low | 67 Ų | 67 | 144.9 Ų | 144.9 | 69% | 0.691 | 83% | 0.825 | S | S | * | * | trans | -84.3 | 88.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110 | V1286 C1290 | V1286-G1288 VanDerWaalsContact C-N 3.29Å; V1286-G1288 PolarHBondContact O-N 3.09Å; G1288-C1290 PolarHBondContact O-N 2.96Å | ||
| 1289 | K | 31.6 | Very low | 29.8 | Very low | 197 Ų | 197 | 146.6 Ų | 146.6 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | -57.9 | 108.2 | 164.5 | -75 | -180 | 175.8 | 177.7 | 0 | 108.8 | D1287 R1291 | D1287-K1289 PolarHBondContact O-N 3.26Å; K1289-R1291 PolarHBondContact O-N 3.46Å; K1289-R1291 VanDerWaalsContact O-N 3.17Å | ||
| 1290 | C | 29.3 | Very low | 30 | Very low | 130 Ų | 130 | 151.7 Ų | 151.7 | 88% | 0.878 | 84% | 0.843 | S | S | * | * | trans | -56.5 | 115.9 | 160.1 | -77.7 | 0 | 0 | 0 | 0 | 108.1 | G1288 | G1288-C1290 PolarHBondContact O-N 2.96Š| ||
| 1291 | R | 30 | Very low | 30.1 | Very low | 241 Ų | 241 | 152.4 Ų | 152.4 | 91% | 0.909 | 84% | 0.84 | S | S | * | * | trans | -84.9 | 140.1 | 153.3 | -86.2 | 179.5 | 162.3 | 175.3 | -5.5 | 106.7 | K1289 | K1289-R1291 PolarHBondContact O-N 3.46Å; K1289-R1291 VanDerWaalsContact O-N 3.17Å | ||
| 1292 | D | 33.1 | Very low | 30.4 | Very low | 242 Ų | 242 | 155.5 Ų | 155.5 | 100% | 1.294 | 85% | 0.85 | S | S | * | * | trans | -42 | 0 | -179.6 | -61.3 | -51.9 | 0 | 0 | 0 | 115.4 |
Retrieved 1,292 of 1,292 residues in 3820 ms
(Link to these results)