| 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 | 48.4 | Very low | 81.8 | Confident | 184 Ų | 184 | 70.6 Ų | 70.6 | 91% | 0.906 | 33% | 0.33 | S | S | * | . | 0 | -22.5 | 0 | -92.2 | -166.3 | -79.5 | 0 | 0 | 111.8 | Q4 | M1-Q4 PolarHBondContact O-N 3.22Š| |||
| 2 | D | 56.3 | Low | 83.1 | Confident | 79 Ų | 79 | 68.3 Ų | 68.3 | 42% | 0.422 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -74.3 | -33.6 | -169.3 | -53.3 | -26.9 | 0 | 0 | 0 | 114.4 | Q4 Q5 V494 | D2-Q4 PolarHBondContact O-N 3.12Å; D2-Q5 WeakPolarHBondContact O-CB 3.29Å; D2-Q5 WeakPolarHBondContact O-CG 3.31Å; D2-Q5 PolarHBondContact O-N 2.99Å; D2-V494 HydrophobicContact CB-CG2 4.27Å |
| 3 | Y | 62.8 | Low | 84.2 | Confident | 66 Ų | 66 | 71.3 Ų | 71.3 | 26% | 0.259 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -61.1 | -24.7 | 173.5 | -61 | -77.4 | 0 | 0 | 0 | 113.9 | Q5 E450 E451 Y491 | Y3-Q5 VanDerWaalsContact C-N 3.32Å; Y3-Q5 PolarHBondContact O-N 3.2Å; Y3-E450 WeakPolarHBondContact CD1-OE2 3.49Å; Y3-E451 VanDerWaalsContact CE1-OE1 3.25Å; Y3-E451 WeakPolarHBondContact CE1-OE1 3.09Å; Y3-E451 PolarHBondContact OH-OE1 2.97Å; Y3-Y491 AromaticContact CD1-CD1 3.8Å; Y3-Y491 HydrophobicContact CD1-CD1 3.8Å; Y3-Y491 AromaticContact CD1-CD2 3.93Å; Y3-Y491 HydrophobicContact CD1-CD2 3.93Å; Y3-Y491 HydrophobicContact CD1-CE1 4.15Å; Y3-Y491 HydrophobicContact CD1-CE2 4.28Å; Y3-Y491 AromaticContact CD1-CG 3.69Å; Y3-Y491 HydrophobicContact CD1-CG 3.69Å; Y3-Y491 HydrophobicContact CE1-CD1 4.43Å; Y3-Y491 HydrophobicContact CE1-CD2 4.14Å; Y3-Y491 AromaticContact CE1-CG 3.92Å; Y3-Y491 HydrophobicContact CE1-CG 3.92Å |
| 4 | Q | 72.1 | Confident | 85.1 | Confident | 159 Ų | 159 | 67.6 Ų | 67.6 | 74% | 0.743 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -82.2 | -6 | -178.6 | -67.9 | -178.9 | -19 | 0 | 0 | 113.7 | M1 D2 K6 | M1-Q4 PolarHBondContact O-N 3.22Å; D2-Q4 PolarHBondContact O-N 3.12Å; Q4-K6 VanDerWaalsContact C-N 3.3Å; Q4-K6 PolarHBondContact O-N 3.45Å |
| 5 | Q | 85 | Confident | 85.9 | Confident | 56 Ų | 56 | 64.4 Ų | 64.4 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -73.5 | -20.2 | -176 | -63 | -60.4 | -19 | 0 | 0 | 113.9 | D2 Y3 L7 K10 T107 | D2-Q5 WeakPolarHBondContact O-CB 3.29Å; D2-Q5 WeakPolarHBondContact O-CG 3.31Å; D2-Q5 PolarHBondContact O-N 2.99Å; Y3-Q5 VanDerWaalsContact C-N 3.32Å; Y3-Q5 PolarHBondContact O-N 3.2Å; Q5-L7 VanDerWaalsContact C-N 3.28Å; Q5-L7 HydrophobicContact CB-CD2 4Å; Q5-L7 HydrophobicContact CB-CG 4.03Å; Q5-L7 PolarHBondContact O-N 3.26Å; Q5-K10 WeakPolarHBondContact O-CE 3.45Å; Q5-T107 HydrophobicContact CB-CG2 4.36Å; Q5-T107 HydrophobicContact CG-CG2 4.17Å |
| 6 | K | 93.5 | Very high | 86.5 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 54% | 0.535 | 33% | 0.326 | S | S | . | . | trans | 51 | 43.8 | 177.5 | -61.3 | -174.8 | 178.8 | -174 | 0 | 113.3 | Q4 A8 E9 K10 | Q4-K6 VanDerWaalsContact C-N 3.3Å; Q4-K6 PolarHBondContact O-N 3.45Å; K6-A8 VanDerWaalsContact C-N 3.28Å; K6-A8 PolarHBondContact O-N 3.1Å; K6-E9 WeakPolarHBondContact CA-OE2 3.32Å; K6-E9 HydrophobicContact CB-CB 4.5Å; K6-E9 WeakPolarHBondContact CB-OE2 3.47Å; K6-E9 PolarHBondContact O-N 2.74Å; K6-K10 WeakPolarHBondContact O-CB 3.44Å; K6-K10 WeakPolarHBondContact O-CG 3.38Å; K6-K10 PolarHBondContact O-N 3.04Å | ||
| 7 | L | 95.2 | Very high | 87.1 | Confident | 7 Ų | 7 | 68.3 Ų | 68.3 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.6 | -39.3 | -174.7 | -59.6 | 179.1 | 0 | 0 | 0 | 111.8 | Q5 L11 L104 T107 I108 F123 A490 V494 | Q5-L7 VanDerWaalsContact C-N 3.28Å; Q5-L7 HydrophobicContact CB-CD2 4Å; Q5-L7 HydrophobicContact CB-CG 4.03Å; Q5-L7 PolarHBondContact O-N 3.26Å; L7-L11 VanDerWaalsContact O-CB 3.26Å; L7-L11 WeakPolarHBondContact O-CB 3.05Å; L7-L11 VanDerWaalsContact O-CG 3.23Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.34Å; L7-L104 HydrophobicContact CD2-CD1 3.62Å; L7-T107 HydrophobicContact CD2-CG2 4.01Å; L7-I108 HydrophobicContact CD2-CG1 4.24Å; L7-F123 HydrophobicContact CB-CE2 4.01Å; L7-F123 HydrophobicContact CD1-CE2 4.46Å; L7-F123 HydrophobicContact CD1-CZ 4.14Å; L7-A490 HydrophobicContact CB-CB 4.17Å; L7-V494 HydrophobicContact CD1-CG1 4.46Å |
| 8 | A | 95.6 | Very high | 87.6 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.4 | -52.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K6 T12 L486 R487 A490 | K6-A8 VanDerWaalsContact C-N 3.28Å; K6-A8 PolarHBondContact O-N 3.1Å; A8-T12 PolarHBondContact O-N 3.17Å; A8-T12 VanDerWaalsContact O-N 3.1Å; A8-T12 PolarHBondContact O-OG1 2.97Å; A8-L486 HydrophobicContact CB-CB 4.47Å; A8-L486 HydrophobicContact CB-CD2 4.13Å; A8-L486 HydrophobicContact CB-CG 3.68Å; A8-R487 HydrophobicContact CB-CB 4.45Å; A8-R487 HydrophobicContact CB-CG 3.9Å; A8-A490 HydrophobicContact CB-CB 4.49Å |
| 9 | E | 96.9 | Very high | 88 | Confident | 34 Ų | 34 | 63.8 Ų | 63.8 | 16% | 0.159 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.9 | -45.2 | -179.1 | -62.9 | 90.3 | 158.9 | 0 | 0 | 111.8 | K6 L11 T12 I13 R487 | K6-E9 WeakPolarHBondContact CA-OE2 3.32Å; K6-E9 HydrophobicContact CB-CB 4.5Å; K6-E9 WeakPolarHBondContact CB-OE2 3.47Å; K6-E9 PolarHBondContact O-N 2.74Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-L11 PolarHBondContact O-N 3Å; E9-T12 PolarHBondContact O-N 3.05Å; E9-I13 WeakPolarHBondContact O-CB 3.4Å; E9-I13 VanDerWaalsContact O-CG1 3.31Å; E9-I13 WeakPolarHBondContact O-CG1 3.47Å; E9-I13 PolarHBondContact O-N 3.48Å; E9-R487 IonicContact OE1-CZ 3.34Å; E9-R487 IonicContact OE1-NE 3.84Å; E9-R487 PolarHBondContact OE1-NE 3.42Å; E9-R487 IonicContact OE1-NH2 3.59Å; E9-R487 PolarHBondContact OE1-NH2 3.49Å |
| 10 | K | 97.2 | Very high | 88.4 | Confident | 68 Ų | 68 | 60.7 Ų | 60.7 | 30% | 0.296 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 178.8 | -72.2 | -177.7 | 178.2 | -175.2 | 0 | 111.3 | Q5 K6 L14 L104 | Q5-K10 WeakPolarHBondContact O-CE 3.45Å; K6-K10 WeakPolarHBondContact O-CB 3.44Å; K6-K10 WeakPolarHBondContact O-CG 3.38Å; K6-K10 PolarHBondContact O-N 3.04Å; K10-L14 VanDerWaalsContact O-CB 3.23Å; K10-L14 WeakPolarHBondContact O-CB 3.41Å; K10-L14 WeakPolarHBondContact O-CG 3.5Å; K10-L14 PolarHBondContact O-N 3.48Å; K10-L104 HydrophobicContact CB-CD1 4.05Å; K10-L104 HydrophobicContact CB-CD2 4Å; K10-L104 HydrophobicContact CD-CD1 4Å |
| 11 | L | 97.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 176.1 | -80.1 | 173 | 0 | 0 | 0 | 111.9 | L7 E9 N15 L104 I108 F123 N126 L130 | L7-L11 VanDerWaalsContact O-CB 3.26Å; L7-L11 WeakPolarHBondContact O-CB 3.05Å; L7-L11 VanDerWaalsContact O-CG 3.23Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.34Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-L11 PolarHBondContact O-N 3Å; L11-N15 WeakPolarHBondContact O-CB 3.28Å; L11-N15 PolarHBondContact O-N 2.93Å; L11-N15 PolarHBondContact O-ND2 3.05Å; L11-N15 VanDerWaalsContact O-ND2 3.07Å; L11-L104 HydrophobicContact CD2-CD2 3.79Å; L11-L104 HydrophobicContact CG-CD2 4.03Å; L11-I108 HydrophobicContact CD2-CD1 4.46Å; L11-F123 HydrophobicContact CD1-CD2 3.58Å; L11-F123 HydrophobicContact CD1-CE2 3.45Å; L11-F123 VanDerWaalsContact CD1-CE2 3.45Å; L11-F123 HydrophobicContact CD1-CZ 4.5Å; L11-N126 HydrophobicContact CB-CB 4.08Å; L11-N126 HydrophobicContact CD1-CB 4.27Å; L11-L130 HydrophobicContact CD2-CB 4.45Å; L11-L130 HydrophobicContact CD2-CD2 3.82Å |
| 12 | T | 96.9 | Very high | 91 | Very high | 43 Ų | 43 | 49.9 Ų | 49.9 | 26% | 0.264 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.5 | -51.7 | -178.9 | -55 | 0 | 0 | 0 | 0 | 111.2 | A8 E9 L14 N15 E16 M483 | A8-T12 PolarHBondContact O-N 3.17Å; A8-T12 VanDerWaalsContact O-N 3.1Å; A8-T12 PolarHBondContact O-OG1 2.97Å; E9-T12 PolarHBondContact O-N 3.05Å; T12-L14 PolarHBondContact O-N 3.25Å; T12-N15 PolarHBondContact O-N 3.44Å; T12-E16 PolarHBondContact O-N 3.32Å; T12-M483 HydrophobicContact CG2-CE 4.45Å; T12-M483 HydrophobicContact CG2-SD 4.45Å |
| 13 | I | 97.3 | Very high | 92.9 | Very high | 107 Ų | 107 | 46.9 Ų | 46.9 | 55% | 0.549 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.7 | -43.1 | -178.1 | -65.8 | 166.5 | 0 | 0 | 0 | 111.1 | E9 E16 R17 | E9-I13 WeakPolarHBondContact O-CB 3.4Å; E9-I13 VanDerWaalsContact O-CG1 3.31Å; E9-I13 WeakPolarHBondContact O-CG1 3.47Å; E9-I13 PolarHBondContact O-N 3.48Å; I13-E16 PolarHBondContact O-N 3.3Å; I13-R17 VanDerWaalsContact O-CB 3.29Å; I13-R17 WeakPolarHBondContact O-CB 3.09Å; I13-R17 PolarHBondContact O-N 2.88Å |
| 14 | L | 97.7 | Very high | 94.4 | Very high | 20 Ų | 20 | 44.5 Ų | 44.5 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.5 | -33 | -179.4 | -70.2 | 175.4 | 0 | 0 | 0 | 112.4 | K10 T12 G18 F97 H100 V101 L104 L130 | K10-L14 VanDerWaalsContact O-CB 3.23Å; K10-L14 WeakPolarHBondContact O-CB 3.41Å; K10-L14 WeakPolarHBondContact O-CG 3.5Å; K10-L14 PolarHBondContact O-N 3.48Å; T12-L14 PolarHBondContact O-N 3.25Å; L14-G18 WeakPolarHBondContact O-CA 3.5Å; L14-G18 PolarHBondContact O-N 3.28Å; L14-F97 HydrophobicContact CB-CE2 4.36Å; L14-F97 HydrophobicContact CD2-CD2 4.24Å; L14-F97 HydrophobicContact CD2-CE2 4.48Å; L14-F97 VanDerWaalsContact O-CE2 3.27Å; L14-F97 WeakPolarHBondContact O-CE2 3.47Å; L14-H100 HydrophobicContact CD1-CB 4.24Å; L14-H100 HydrophobicContact CD2-CB 3.77Å; L14-V101 HydrophobicContact CD1-CG2 4.28Å; L14-L104 HydrophobicContact CD1-CB 4.36Å; L14-L104 HydrophobicContact CD1-CD2 3.76Å; L14-L130 HydrophobicContact CB-CD1 3.79Å; L14-L130 HydrophobicContact CB-CD2 4.26Å; L14-L130 HydrophobicContact CD1-CD2 4.37Å |
| 15 | N | 97.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 37 Ų | 37 | 10% | 0.102 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 173.2 | -85.6 | -45.5 | 0 | 0 | 0 | 111.8 | L11 T12 G18 S19 N126 L130 | L11-N15 WeakPolarHBondContact O-CB 3.28Å; L11-N15 PolarHBondContact O-N 2.93Å; L11-N15 PolarHBondContact O-ND2 3.05Å; L11-N15 VanDerWaalsContact O-ND2 3.07Å; T12-N15 PolarHBondContact O-N 3.44Å; N15-G18 PolarHBondContact O-N 2.84Å; N15-S19 PolarHBondContact O-N 3.17Å; N15-N126 PolarHBondContact ND2-O 2.95Å; N15-N126 PolarHBondContact ND2-OD1 3.49Å; N15-N126 VanDerWaalsContact ND2-OD1 3.11Å; N15-L130 WeakPolarHBondContact OD1-CA 3.34Å; N15-L130 WeakPolarHBondContact OD1-CB 3.46Å; N15-L130 PolarHBondContact OD1-N 3Å |
| 16 | E | 95.3 | Very high | 96 | Very high | 123 Ų | 123 | 34.5 Ų | 34.5 | 58% | 0.575 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -61.6 | -49.7 | 175.8 | -172.5 | -178.8 | 174.5 | 0 | 0 | 111.1 | T12 I13 G18 S19 G20 H576 | T12-E16 PolarHBondContact O-N 3.32Å; I13-E16 PolarHBondContact O-N 3.3Å; E16-G18 VanDerWaalsContact C-N 3.33Å; E16-G18 PolarHBondContact O-N 3.25Å; E16-S19 PolarHBondContact O-N 2.95Å; E16-G20 PolarHBondContact O-N 3.42Å; E16-H576 PolarHBondContact O-NE2 3.25Å |
| 17 | R | 96.3 | Very high | 96 | Very high | 72 Ų | 72 | 30.3 Ų | 30.3 | 27% | 0.272 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 176.7 | -177.7 | 59.8 | 171.2 | -177.6 | 1.8 | 111.7 | I13 S19 G20 V21 D93 F97 L578 | I13-R17 VanDerWaalsContact O-CB 3.29Å; I13-R17 WeakPolarHBondContact O-CB 3.09Å; I13-R17 PolarHBondContact O-N 2.88Å; R17-S19 PolarHBondContact O-N 3.39Å; R17-G20 PolarHBondContact O-N 3.25Å; R17-V21 HydrophobicContact CG-CG2 4.39Å; R17-V21 VanDerWaalsContact O-CG2 3.32Å; R17-V21 WeakPolarHBondContact O-CG2 3.27Å; R17-V21 PolarHBondContact O-N 3.13Å; R17-D93 IonicContact CZ-OD1 3.92Å; R17-D93 IonicContact NH2-OD1 3.44Å; R17-D93 PolarHBondContact NH2-OD1 3.16Å; R17-D93 IonicContact NH2-OD2 2.79Å; R17-D93 PolarHBondContact NH2-OD2 3Å; R17-F97 HydrophobicContact CG-CD2 4.35Å; R17-L578 VanDerWaalsContact NH1-CD1 3.29Å |
| 18 | G | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.1 | -40.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L14 N15 E16 V21 L22 F97 T133 | L14-G18 WeakPolarHBondContact O-CA 3.5Å; L14-G18 PolarHBondContact O-N 3.28Å; N15-G18 PolarHBondContact O-N 2.84Å; E16-G18 VanDerWaalsContact C-N 3.33Å; E16-G18 PolarHBondContact O-N 3.25Å; G18-V21 PolarHBondContact O-N 3.43Å; G18-L22 VanDerWaalsContact O-CB 3.26Å; G18-L22 WeakPolarHBondContact O-CB 3.29Å; G18-L22 PolarHBondContact O-N 2.93Å; G18-F97 VanDerWaalsContact CA-CE2 3.47Å; G18-F97 VanDerWaalsContact CA-CZ 3.46Å; G18-T133 VanDerWaalsContact C-CG2 3.43Å |
| 19 | S | 94.7 | Very high | 95.9 | Very high | 52 Ų | 52 | 31.2 Ų | 31.2 | 36% | 0.364 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 175.3 | -165.6 | 0 | 0 | 0 | 0 | 111.3 | N15 E16 R17 L22 I23 | N15-S19 PolarHBondContact O-N 3.17Å; E16-S19 PolarHBondContact O-N 2.95Å; R17-S19 PolarHBondContact O-N 3.39Å; S19-L22 WeakPolarHBondContact O-CB 3.43Å; S19-L22 PolarHBondContact O-N 3.05Å; S19-I23 WeakPolarHBondContact O-CG1 3.36Å; S19-I23 PolarHBondContact O-N 3.43Å |
| 20 | G | 95.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.6 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E16 R17 L22 I23 R24 H576 | E16-G20 PolarHBondContact O-N 3.42Å; R17-G20 PolarHBondContact O-N 3.25Å; G20-L22 VanDerWaalsContact C-N 3.33Å; G20-L22 PolarHBondContact O-N 2.86Å; G20-I23 PolarHBondContact O-N 2.87Å; G20-R24 WeakPolarHBondContact O-CB 3.36Å; G20-R24 PolarHBondContact O-N 3.25Å; G20-H576 VanDerWaalsContact CA-CE1 3.44Å; G20-H576 WeakPolarHBondContact CA-CE1 3.5Å; G20-H576 VanDerWaalsContact CA-ND1 3.3Å; G20-H576 WeakPolarHBondContact CA-ND1 3.03Å |
| 21 | V | 96.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.03 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.6 | -42.9 | 173.5 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | R17 G18 R24 M25 D93 V94 F97 V137 | R17-V21 HydrophobicContact CG-CG2 4.39Å; R17-V21 VanDerWaalsContact O-CG2 3.32Å; R17-V21 WeakPolarHBondContact O-CG2 3.27Å; R17-V21 PolarHBondContact O-N 3.13Å; G18-V21 PolarHBondContact O-N 3.43Å; V21-R24 PolarHBondContact O-N 3.03Å; V21-M25 HydrophobicContact CG1-CG 4.48Å; V21-M25 WeakPolarHBondContact O-CG 3.37Å; V21-M25 PolarHBondContact O-N 3.15Å; V21-D93 HydrophobicContact CG2-CB 4.42Å; V21-V94 HydrophobicContact CG1-CB 4.48Å; V21-V94 HydrophobicContact CG1-CG2 3.64Å; V21-F97 HydrophobicContact CG2-CB 4.48Å; V21-V137 HydrophobicContact CG1-CG1 3.86Å; V21-V137 HydrophobicContact CG1-CG2 4.23Å |
| 22 | L | 96.2 | Very high | 95 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 7% | 0.068 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.3 | -45 | 178 | -177.1 | 62.7 | 0 | 0 | 0 | 111.9 | G18 S19 G20 M25 N26 V137 L140 T290 | G18-L22 VanDerWaalsContact O-CB 3.26Å; G18-L22 WeakPolarHBondContact O-CB 3.29Å; G18-L22 PolarHBondContact O-N 2.93Å; S19-L22 WeakPolarHBondContact O-CB 3.43Å; S19-L22 PolarHBondContact O-N 3.05Å; G20-L22 VanDerWaalsContact C-N 3.33Å; G20-L22 PolarHBondContact O-N 2.86Å; L22-M25 PolarHBondContact O-N 2.83Å; L22-N26 PolarHBondContact O-N 3.06Å; L22-V137 HydrophobicContact CB-CG2 3.75Å; L22-V137 HydrophobicContact CD1-CG2 4Å; L22-V137 HydrophobicContact CG-CG2 4.43Å; L22-L140 HydrophobicContact CD1-CB 4.15Å; L22-L140 HydrophobicContact CD1-CD2 3.6Å; L22-L140 HydrophobicContact CG-CD2 4.43Å; L22-L140 VanDerWaalsContact O-CD2 3.31Å; L22-L140 WeakPolarHBondContact O-CD2 3.44Å; L22-T290 HydrophobicContact CD1-CG2 4.07Å; L22-T290 HydrophobicContact CD2-CG2 4.43Å; L22-T290 HydrophobicContact CG-CG2 3.91Å |
| 23 | I | 95.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 31.7 Ų | 31.7 | 8% | 0.082 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 174.2 | -75.7 | 168.8 | 0 | 0 | 0 | 110.6 | S19 G20 M25 N26 Y27 R291 H576 C579 E582 | S19-I23 WeakPolarHBondContact O-CG1 3.36Å; S19-I23 PolarHBondContact O-N 3.43Å; G20-I23 PolarHBondContact O-N 2.87Å; I23-M25 VanDerWaalsContact C-N 3.33Å; I23-M25 PolarHBondContact O-N 2.84Å; I23-N26 WeakPolarHBondContact O-CB 3.09Å; I23-N26 PolarHBondContact O-N 3.23Å; I23-N26 VanDerWaalsContact O-N 3.13Å; I23-Y27 PolarHBondContact O-N 3.03Å; I23-R291 VanDerWaalsContact CG2-NH2 3.29Å; I23-H576 HydrophobicContact CD1-CB 3.77Å; I23-H576 HydrophobicContact CG2-CB 4.34Å; I23-C579 HydrophobicContact CG2-CB 3.91Å; I23-E582 WeakPolarHBondContact CG2-OE1 3.25Å |
| 24 | R | 95.1 | Very high | 94 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 6% | 0.064 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.8 | -39.4 | 178.7 | -165.8 | 60.2 | 170.1 | 71.1 | -5.3 | 112 | G20 V21 Y27 I28 S90 C579 E581 | G20-R24 WeakPolarHBondContact O-CB 3.36Å; G20-R24 PolarHBondContact O-N 3.25Å; V21-R24 PolarHBondContact O-N 3.03Å; R24-Y27 PolarHBondContact O-N 3.37Å; R24-I28 VanDerWaalsContact O-CG1 3.31Å; R24-I28 WeakPolarHBondContact O-CG1 3.43Å; R24-I28 PolarHBondContact O-N 3.4Å; R24-S90 VanDerWaalsContact CZ-OG 3.27Å; R24-S90 PolarHBondContact NH1-OG 3.09Å; R24-S90 VanDerWaalsContact NH1-OG 3.16Å; R24-C579 WeakPolarHBondContact CD-SG 3.28Å; R24-E581 IonicContact CZ-OE1 3.27Å; R24-E581 IonicContact NE-OE1 3.6Å; R24-E581 PolarHBondContact NE-OE1 2.98Å; R24-E581 IonicContact NE-OE2 4Å; R24-E581 IonicContact NH2-OE1 2.75Å; R24-E581 PolarHBondContact NH2-OE1 3.03Å |
| 25 | M | 95.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.3 | -37.9 | 174 | -70.9 | -54.9 | 105.1 | 0 | 0 | 112.4 | V21 L22 I23 I28 K29 S90 F91 V94 L140 L141 I144 | V21-M25 HydrophobicContact CG1-CG 4.48Å; V21-M25 WeakPolarHBondContact O-CG 3.37Å; V21-M25 PolarHBondContact O-N 3.15Å; L22-M25 PolarHBondContact O-N 2.83Å; I23-M25 VanDerWaalsContact C-N 3.33Å; I23-M25 PolarHBondContact O-N 2.84Å; M25-I28 HydrophobicContact CE-CD1 3.58Å; M25-I28 PolarHBondContact O-N 2.89Å; M25-I28 HydrophobicContact SD-CD1 4.39Å; M25-K29 WeakPolarHBondContact O-CB 3.5Å; M25-K29 PolarHBondContact O-N 3.42Å; M25-S90 VanDerWaalsContact CE-O 3.29Å; M25-S90 WeakPolarHBondContact CE-O 3.49Å; M25-F91 HydrophobicContact CE-CD1 4.22Å; M25-F91 HydrophobicContact CE-CE1 4.43Å; M25-F91 HydrophobicContact SD-CD1 3.85Å; M25-F91 HydrophobicContact SD-CE1 3.8Å; M25-V94 HydrophobicContact CE-CG2 3.8Å; M25-V94 HydrophobicContact CG-CG2 3.89Å; M25-V94 HydrophobicContact SD-CG2 3.67Å; M25-L140 HydrophobicContact CB-CD2 3.79Å; M25-L140 HydrophobicContact CB-CG 4.07Å; M25-L141 HydrophobicContact SD-CD1 4.21Å; M25-I144 HydrophobicContact CB-CD1 4.5Å; M25-I144 HydrophobicContact SD-CD1 4.04Å |
| 26 | N | 95 | Very high | 92.5 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 173.4 | 176.3 | -95.5 | 0 | 0 | 0 | 110.4 | L22 I23 I28 K29 K30 L140 T290 R291 E293 | L22-N26 PolarHBondContact O-N 3.06Å; I23-N26 WeakPolarHBondContact O-CB 3.09Å; I23-N26 PolarHBondContact O-N 3.23Å; I23-N26 VanDerWaalsContact O-N 3.13Å; N26-I28 PolarHBondContact O-N 2.96Å; N26-K29 WeakPolarHBondContact O-CB 3.08Å; N26-K29 PolarHBondContact O-N 3.08Å; N26-K30 VanDerWaalsContact O-CG 3.31Å; N26-K30 WeakPolarHBondContact O-CG 3.49Å; N26-K30 PolarHBondContact O-N 3.26Å; N26-L140 HydrophobicContact CB-CD2 3.85Å; N26-T290 HydrophobicContact CB-CG2 3.79Å; N26-R291 WeakPolarHBondContact OD1-CD 3.49Å; N26-R291 PolarHBondContact OD1-NH1 3.17Å; N26-E293 VanDerWaalsContact ND2-CG 3.33Å; N26-E293 WeakPolarHBondContact ND2-CG 3.43Å |
| 27 | Y | 93.5 | Very high | 91.9 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 14% | 0.141 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.8 | -48.8 | 177.2 | 178.7 | -112.5 | 0 | 0 | 0 | 112.2 | I23 R24 K29 K30 L31 E581 E582 I585 | I23-Y27 PolarHBondContact O-N 3.03Å; R24-Y27 PolarHBondContact O-N 3.37Å; Y27-K29 VanDerWaalsContact C-N 3.35Å; Y27-K29 PolarHBondContact O-N 3.49Å; Y27-K30 PolarHBondContact O-N 3.08Å; Y27-K30 VanDerWaalsContact O-N 3.14Å; Y27-L31 HydrophobicContact CD1-CD1 3.88Å; Y27-L31 HydrophobicContact CD1-CG 4.46Å; Y27-L31 HydrophobicContact CD2-CG 4.47Å; Y27-L31 HydrophobicContact CE1-CD1 3.33Å; Y27-L31 HydrophobicContact CE1-CG 4.09Å; Y27-L31 HydrophobicContact CE2-CD1 4.19Å; Y27-L31 HydrophobicContact CE2-CD2 4.22Å; Y27-L31 HydrophobicContact CE2-CG 4.06Å; Y27-L31 WeakPolarHBondContact O-CG 3.49Å; Y27-L31 PolarHBondContact O-N 3.36Å; Y27-E581 HydrophobicContact CE1-CB 3.99Å; Y27-E582 HydrophobicContact CD2-CB 3.94Å; Y27-E582 HydrophobicContact CE2-CB 4.02Å; Y27-I585 HydrophobicContact CE2-CD1 4.33Å |
| 28 | I | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 176.2 | -65.2 | 172.2 | 0 | 0 | 0 | 110.9 | R24 M25 N26 K30 L31 C32 F87 F91 I144 L150 | R24-I28 VanDerWaalsContact O-CG1 3.31Å; R24-I28 WeakPolarHBondContact O-CG1 3.43Å; R24-I28 PolarHBondContact O-N 3.4Å; M25-I28 HydrophobicContact CE-CD1 3.58Å; M25-I28 PolarHBondContact O-N 2.89Å; M25-I28 HydrophobicContact SD-CD1 4.39Å; N26-I28 PolarHBondContact O-N 2.96Å; I28-K30 VanDerWaalsContact C-N 3.26Å; I28-K30 PolarHBondContact O-N 3.46Å; I28-L31 PolarHBondContact O-N 3.36Å; I28-C32 PolarHBondContact O-N 3.4Å; I28-C32 PolarHBondContact O-SG 3.03Å; I28-C32 VanDerWaalsContact O-SG 3.32Å; I28-F87 HydrophobicContact CB-CD1 4.35Å; I28-F87 HydrophobicContact CB-CE1 4.46Å; I28-F87 HydrophobicContact CD1-CD1 4.02Å; I28-F87 HydrophobicContact CG1-CD1 3.77Å; I28-F87 HydrophobicContact CG1-CE1 4.04Å; I28-F87 HydrophobicContact CG2-CD1 3.77Å; I28-F87 HydrophobicContact CG2-CE1 4.04Å; I28-F91 HydrophobicContact CG2-CZ 4.17Å; I28-I144 HydrophobicContact CB-CD1 4.35Å; I28-I144 HydrophobicContact CG2-CD1 4.13Å; I28-I144 HydrophobicContact CG2-CG2 4.34Å; I28-L150 HydrophobicContact CG2-CD1 4.35Å |
| 29 | K | 94.4 | Very high | 90.9 | Very high | 26 Ų | 26 | 41 Ų | 41 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.9 | -43.8 | 177.3 | -174.4 | 179.8 | 174.8 | -71.7 | 0 | 111.2 | M25 N26 Y27 C32 T33 L140 R143 I144 E293 | M25-K29 WeakPolarHBondContact O-CB 3.5Å; M25-K29 PolarHBondContact O-N 3.42Å; N26-K29 WeakPolarHBondContact O-CB 3.08Å; N26-K29 PolarHBondContact O-N 3.08Å; Y27-K29 VanDerWaalsContact C-N 3.35Å; Y27-K29 PolarHBondContact O-N 3.49Å; K29-C32 PolarHBondContact O-N 3.02Å; K29-T33 WeakPolarHBondContact O-CB 3.19Å; K29-T33 WeakPolarHBondContact O-CG2 3.35Å; K29-T33 PolarHBondContact O-N 3.2Å; K29-T33 PolarHBondContact O-OG1 3.32Å; K29-L140 HydrophobicContact CD-CD1 3.67Å; K29-R143 HydrophobicContact CD-CB 4.08Å; K29-I144 HydrophobicContact CB-CG1 3.89Å; K29-I144 HydrophobicContact CG-CG1 4.31Å; K29-E293 VanDerWaalsContact CE-OE2 3.29Å; K29-E293 WeakPolarHBondContact CE-OE2 3.4Å; K29-E293 VanDerWaalsContact NZ-CD 3.25Å; K29-E293 IonicContact NZ-OE1 3.65Å; K29-E293 PolarHBondContact NZ-OE1 2.95Å; K29-E293 IonicContact NZ-OE2 3.99Å; K29-E293 PolarHBondContact NZ-OE2 3.31Å |
| 30 | K | 91.6 | Very high | 90.4 | Very high | 61 Ų | 61 | 40.8 Ų | 40.8 | 27% | 0.265 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.4 | -44.9 | -179.5 | -66.6 | -69.5 | 154.3 | 163.9 | 0 | 112.1 | N26 Y27 I28 C32 T33 D34 E292 E293 | N26-K30 VanDerWaalsContact O-CG 3.31Å; N26-K30 WeakPolarHBondContact O-CG 3.49Å; N26-K30 PolarHBondContact O-N 3.26Å; Y27-K30 PolarHBondContact O-N 3.08Å; Y27-K30 VanDerWaalsContact O-N 3.14Å; I28-K30 VanDerWaalsContact C-N 3.26Å; I28-K30 PolarHBondContact O-N 3.46Å; K30-C32 VanDerWaalsContact C-N 3.31Å; K30-C32 PolarHBondContact O-N 3.32Å; K30-T33 WeakPolarHBondContact CA-OG1 3.25Å; K30-T33 PolarHBondContact O-N 3.32Å; K30-T33 PolarHBondContact O-OG1 3.11Å; K30-D34 PolarHBondContact O-N 2.9Å; K30-E292 WeakPolarHBondContact CD-OE1 3.32Å; K30-E292 WeakPolarHBondContact CE-OE1 3Å; K30-E292 VanDerWaalsContact NZ-CD 3.28Å; K30-E292 IonicContact NZ-OE1 3.19Å; K30-E292 PolarHBondContact NZ-OE1 3.47Å; K30-E293 WeakPolarHBondContact CE-OE1 3.21Å; K30-E293 IonicContact NZ-OE1 2.7Å; K30-E293 PolarHBondContact NZ-OE1 3.48Å |
| 31 | L | 90.6 | Very high | 89.8 | Confident | 24 Ų | 24 | 42 Ų | 42 | 13% | 0.126 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.4 | -47 | 173.1 | -74.8 | 179.3 | 0 | 0 | 0 | 111.5 | Y27 I28 T33 L37 R38 F87 | Y27-L31 HydrophobicContact CD1-CD1 3.88Å; Y27-L31 HydrophobicContact CD1-CG 4.46Å; Y27-L31 HydrophobicContact CD2-CG 4.47Å; Y27-L31 HydrophobicContact CE1-CD1 3.33Å; Y27-L31 HydrophobicContact CE1-CG 4.09Å; Y27-L31 HydrophobicContact CE2-CD1 4.19Å; Y27-L31 HydrophobicContact CE2-CD2 4.22Å; Y27-L31 HydrophobicContact CE2-CG 4.06Å; Y27-L31 WeakPolarHBondContact O-CG 3.49Å; Y27-L31 PolarHBondContact O-N 3.36Å; I28-L31 PolarHBondContact O-N 3.36Å; L31-T33 VanDerWaalsContact C-N 3.33Å; L31-T33 PolarHBondContact O-N 2.74Å; L31-L37 HydrophobicContact CD2-CB 3.86Å; L31-L37 HydrophobicContact CD2-CD1 4.38Å; L31-L37 CarbonylContact O-C 3.58Å; L31-R38 WeakPolarHBondContact O-CA 3.38Å; L31-R38 PolarHBondContact O-N 2.92Å; L31-F87 HydrophobicContact CD1-CE1 4.09Å; L31-F87 HydrophobicContact CD1-CZ 4.2Å |
| 32 | C | 90.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.014 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.4 | -32.6 | 180 | -66.1 | 0 | 0 | 0 | 0 | 112.9 | I28 K29 K30 R38 | I28-C32 PolarHBondContact O-N 3.4Å; I28-C32 PolarHBondContact O-SG 3.03Å; I28-C32 VanDerWaalsContact O-SG 3.32Å; K29-C32 PolarHBondContact O-N 3.02Å; K30-C32 VanDerWaalsContact C-N 3.31Å; K30-C32 PolarHBondContact O-N 3.32Å; C32-R38 WeakPolarHBondContact O-CD 3.42Å; C32-R38 PolarHBondContact O-NH1 3.05Å |
| 33 | T | 88.1 | Confident | 88.6 | Confident | 68 Ų | 68 | 46 Ų | 46 | 42% | 0.417 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -88.3 | -27.6 | -174.6 | 47.2 | 0 | 0 | 0 | 0 | 114.2 | K29 K30 L31 P35 | K29-T33 WeakPolarHBondContact O-CB 3.19Å; K29-T33 WeakPolarHBondContact O-CG2 3.35Å; K29-T33 PolarHBondContact O-N 3.2Å; K29-T33 PolarHBondContact O-OG1 3.32Å; K30-T33 WeakPolarHBondContact CA-OG1 3.25Å; K30-T33 PolarHBondContact O-N 3.32Å; K30-T33 PolarHBondContact O-OG1 3.11Å; L31-T33 VanDerWaalsContact C-N 3.33Å; L31-T33 PolarHBondContact O-N 2.74Å; T33-P35 WeakPolarHBondContact O-CD 3.48Å |
| 34 | D | 84.4 | Confident | 88.1 | Confident | 61 Ų | 61 | 48.2 Ų | 48.2 | 33% | 0.326 | 26% | 0.258 | S | S | . | . | trans | -77.4 | 115.7 | 176.9 | -173.7 | -24.3 | 0 | 0 | 0 | 110.8 | K30 K36 L37 R38 | K30-D34 PolarHBondContact O-N 2.9Å; D34-K36 PolarHBondContact O-N 3.33Å; D34-K36 WeakPolarHBondContact OD1-CB 3.29Å; D34-K36 PolarHBondContact OD1-N 2.76Å; D34-L37 HydrophobicContact CB-CB 4.13Å; D34-L37 HydrophobicContact CB-CD1 4.31Å; D34-L37 HydrophobicContact CB-CG 4.29Å; D34-L37 PolarHBondContact O-N 3.26Å; D34-R38 VanDerWaalsContact O-CB 3.3Å; D34-R38 WeakPolarHBondContact O-CB 3.27Å; D34-R38 PolarHBondContact O-N 3.5Å | ||
| 35 | P | 82.3 | Confident | 87.7 | Confident | 109 Ų | 109 | 55.9 Ų | 55.9 | 71% | 0.708 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.8 | -179.4 | -23.9 | 34.3 | 0 | 0 | 0 | 114.8 | T33 | T33-P35 WeakPolarHBondContact O-CD 3.48Š|
| 36 | K | 82.6 | Confident | 87.2 | Confident | 191 Ų | 191 | 60.3 Ų | 60.3 | 83% | 0.83 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -27.7 | 179.7 | -64.9 | -177.2 | 178.3 | -178.2 | 0 | 113.2 | D34 | D34-K36 PolarHBondContact O-N 3.33Å; D34-K36 WeakPolarHBondContact OD1-CB 3.29Å; D34-K36 PolarHBondContact OD1-N 2.76Å |
| 37 | L | 82.2 | Confident | 86.8 | Confident | 88 Ų | 88 | 60.2 Ų | 60.2 | 46% | 0.461 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -10.5 | -177.3 | -56.1 | 176.8 | 0 | 0 | 0 | 112.6 | L31 D34 | L31-L37 HydrophobicContact CD2-CB 3.86Å; L31-L37 HydrophobicContact CD2-CD1 4.38Å; L31-L37 CarbonylContact O-C 3.58Å; D34-L37 HydrophobicContact CB-CB 4.13Å; D34-L37 HydrophobicContact CB-CD1 4.31Å; D34-L37 HydrophobicContact CB-CG 4.29Å; D34-L37 PolarHBondContact O-N 3.26Å |
| 38 | R | 86.2 | Confident | 86.6 | Confident | 67 Ų | 67 | 62.8 Ų | 62.8 | 25% | 0.253 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -56.7 | 130 | 179.1 | -171 | 172.9 | 175.6 | 99.2 | 3.7 | 110.3 | L31 C32 D34 G40 L42 T43 D146 | L31-R38 WeakPolarHBondContact O-CA 3.38Å; L31-R38 PolarHBondContact O-N 2.92Å; C32-R38 WeakPolarHBondContact O-CD 3.42Å; C32-R38 PolarHBondContact O-NH1 3.05Å; D34-R38 VanDerWaalsContact O-CB 3.3Å; D34-R38 WeakPolarHBondContact O-CB 3.27Å; D34-R38 PolarHBondContact O-N 3.5Å; R38-G40 PolarHBondContact O-N 3.4Å; R38-L42 HydrophobicContact CG-CB 4.22Å; R38-L42 HydrophobicContact CG-CD1 4.42Å; R38-T43 HydrophobicContact CB-CG2 4.15Å; R38-T43 HydrophobicContact CG-CG2 3.92Å; R38-D146 IonicContact CZ-OD1 3.83Å; R38-D146 IonicContact CZ-OD2 3.29Å; R38-D146 IonicContact NH1-OD1 3.75Å; R38-D146 IonicContact NH1-OD2 3.74Å; R38-D146 PolarHBondContact NH1-OD2 3.23Å; R38-D146 IonicContact NH2-OD1 3.84Å; R38-D146 PolarHBondContact NH2-OD1 3.03Å; R38-D146 IonicContact NH2-OD2 2.64Å; R38-D146 PolarHBondContact NH2-OD2 2.83Å |
| 39 | P | 85.7 | Confident | 86.4 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 13% | 0.13 | 35% | 0.351 | C | S | . | . | trans | -52.3 | 131.4 | -179.7 | -27.9 | 32.8 | 0 | 0 | 0 | 112.5 | F41 L42 F87 | P39-F41 HydrophobicContact CB-CD1 3.9Å; P39-F41 HydrophobicContact CB-CE1 3.36Å; P39-F41 HydrophobicContact CB-CE2 4.21Å; P39-F41 HydrophobicContact CB-CZ 3.53Å; P39-F41 HydrophobicContact CG-CE1 4.36Å; P39-F41 HydrophobicContact CG-CZ 4.22Å; P39-F41 PolarHBondContact O-N 3.48Å; P39-F41 VanDerWaalsContact O-N 3.1Å; P39-L42 HydrophobicContact CB-CD1 4.46Å; P39-L42 HydrophobicContact CB-CG 4.48Å; P39-L42 HydrophobicContact CG-CD1 4.33Å; P39-L42 WeakPolarHBondContact O-CB 3.25Å; P39-L42 PolarHBondContact O-N 3.24Å; P39-F87 HydrophobicContact CG-CE2 4.11Å; P39-F87 HydrophobicContact CG-CZ 3.98Å | ||
| 40 | G | 82.8 | Confident | 86.1 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -54.9 | -36.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114 | R38 L42 T43 D44 | R38-G40 PolarHBondContact O-N 3.4Å; G40-L42 PolarHBondContact O-N 3.45Å; G40-T43 WeakPolarHBondContact CA-OG1 3.34Å; G40-T43 CarbonylContact O-C 3.58Å; G40-T43 PolarHBondContact O-N 3.45Å; G40-T43 PolarHBondContact O-OG1 3.29Å; G40-D44 PolarHBondContact O-N 3.49Å |
| 41 | F | 83.1 | Confident | 86 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 11% | 0.114 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.4 | -19.9 | 177.5 | 62.4 | -99.9 | 0 | 0 | 0 | 114.1 | P39 M47 A83 T84 L150 M153 | P39-F41 HydrophobicContact CB-CD1 3.9Å; P39-F41 HydrophobicContact CB-CE1 3.36Å; P39-F41 HydrophobicContact CB-CE2 4.21Å; P39-F41 HydrophobicContact CB-CZ 3.53Å; P39-F41 HydrophobicContact CG-CE1 4.36Å; P39-F41 HydrophobicContact CG-CZ 4.22Å; P39-F41 PolarHBondContact O-N 3.48Å; P39-F41 VanDerWaalsContact O-N 3.1Å; F41-M47 HydrophobicContact CB-CG 4.42Å; F41-M47 WeakPolarHBondContact O-CB 3.41Å; F41-A83 HydrophobicContact CD1-CB 3.94Å; F41-A83 HydrophobicContact CE1-CB 3.67Å; F41-T84 HydrophobicContact CE1-CG2 4.15Å; F41-T84 HydrophobicContact CE2-CG2 3.91Å; F41-T84 HydrophobicContact CZ-CG2 3.56Å; F41-L150 HydrophobicContact CE2-CD2 3.92Å; F41-L150 HydrophobicContact CZ-CD2 3.82Å; F41-M153 HydrophobicContact CB-CE 4.43Å; F41-M153 HydrophobicContact CD2-CE 3.8Å; F41-M153 HydrophobicContact CD2-SD 3.7Å; F41-M153 HydrophobicContact CE2-SD 3.96Å; F41-M153 HydrophobicContact CG-CE 4.44Å |
| 42 | L | 84.4 | Confident | 86.1 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 10% | 0.099 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -84.5 | -14.4 | 172.1 | -64.8 | 179.9 | 0 | 0 | 0 | 112.8 | R38 P39 G40 V51 D146 V149 L150 M153 | R38-L42 HydrophobicContact CG-CB 4.22Å; R38-L42 HydrophobicContact CG-CD1 4.42Å; P39-L42 HydrophobicContact CB-CD1 4.46Å; P39-L42 HydrophobicContact CB-CG 4.48Å; P39-L42 HydrophobicContact CG-CD1 4.33Å; P39-L42 WeakPolarHBondContact O-CB 3.25Å; P39-L42 PolarHBondContact O-N 3.24Å; G40-L42 PolarHBondContact O-N 3.45Å; L42-V51 HydrophobicContact CD2-CG2 4.35Å; L42-D146 HydrophobicContact CD1-CB 4.13Å; L42-V149 HydrophobicContact CD2-CB 4.43Å; L42-V149 HydrophobicContact CD2-CG1 3.59Å; L42-L150 HydrophobicContact CD1-CD2 4.14Å; L42-M153 HydrophobicContact CD2-SD 4.36Å |
| 43 | T | 83.6 | Confident | 86.1 | Confident | 81 Ų | 81 | 68.7 Ų | 68.7 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -108.3 | -17.7 | -179.2 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | R38 G40 K45 | R38-T43 HydrophobicContact CB-CG2 4.15Å; R38-T43 HydrophobicContact CG-CG2 3.92Å; G40-T43 WeakPolarHBondContact CA-OG1 3.34Å; G40-T43 CarbonylContact O-C 3.58Å; G40-T43 PolarHBondContact O-N 3.45Å; G40-T43 PolarHBondContact O-OG1 3.29Å; T43-K45 PolarHBondContact O-N 3.13Å |
| 44 | D | 85.7 | Confident | 86.2 | Confident | 64 Ų | 64 | 65.5 Ų | 65.5 | 34% | 0.342 | 34% | 0.344 | S | S | . | . | trans | -68.8 | 124.3 | 179.9 | -172.9 | -5.1 | 0 | 0 | 0 | 111.1 | G40 V46 M47 E48 | G40-D44 PolarHBondContact O-N 3.49Å; D44-V46 PolarHBondContact O-N 2.88Å; D44-V46 VanDerWaalsContact O-N 3.17Å; D44-V46 WeakPolarHBondContact OD1-CB 3.12Å; D44-V46 WeakPolarHBondContact OD1-CG2 3.41Å; D44-V46 PolarHBondContact OD1-N 3.35Å; D44-M47 HydrophobicContact CB-CB 4.31Å; D44-M47 HydrophobicContact CB-CG 4.26Å; D44-M47 PolarHBondContact O-N 3.26Å; D44-E48 PolarHBondContact O-N 3.23Å | ||
| 45 | K | 85.4 | Confident | 86.6 | Confident | 177 Ų | 177 | 66.3 Ų | 66.3 | 77% | 0.77 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.4 | 176 | -69.1 | -172.5 | 177.1 | -178.4 | 0 | 112.5 | T43 M47 | T43-K45 PolarHBondContact O-N 3.13Å; K45-M47 VanDerWaalsContact C-N 3.3Å |
| 46 | V | 86 | Confident | 87 | Confident | 94 Ų | 94 | 69.7 Ų | 69.7 | 57% | 0.57 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -28.1 | 178.2 | -176.4 | 0 | 0 | 0 | 0 | 111.6 | D44 C72 | D44-V46 PolarHBondContact O-N 2.88Å; D44-V46 VanDerWaalsContact O-N 3.17Å; D44-V46 WeakPolarHBondContact OD1-CB 3.12Å; D44-V46 WeakPolarHBondContact OD1-CG2 3.41Å; D44-V46 PolarHBondContact OD1-N 3.35Å; V46-C72 HydrophobicContact CG1-CB 4.16Å |
| 47 | M | 86.5 | Confident | 87.4 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -15.3 | 179.6 | -70.8 | -64.8 | 178.7 | 0 | 0 | 113.6 | F41 D44 K45 P49 A50 V51 C72 I73 Q76 V80 M153 | F41-M47 HydrophobicContact CB-CG 4.42Å; F41-M47 WeakPolarHBondContact O-CB 3.41Å; D44-M47 HydrophobicContact CB-CB 4.31Å; D44-M47 HydrophobicContact CB-CG 4.26Å; D44-M47 PolarHBondContact O-N 3.26Å; K45-M47 VanDerWaalsContact C-N 3.3Å; M47-P49 VanDerWaalsContact C-CD 3.49Å; M47-A50 WeakPolarHBondContact O-CB 3.43Å; M47-A50 PolarHBondContact O-N 3.12Å; M47-V51 WeakPolarHBondContact O-CG2 3.31Å; M47-V51 PolarHBondContact O-N 3.39Å; M47-C72 HydrophobicContact CE-CB 4.03Å; M47-C72 HydrophobicContact SD-CB 3.78Å; M47-I73 HydrophobicContact SD-CG1 4.22Å; M47-Q76 HydrophobicContact CE-CB 4.26Å; M47-V80 HydrophobicContact CE-CG2 4.4Å; M47-M153 HydrophobicContact SD-CE 4.33Å |
| 48 | E | 88.8 | Confident | 87.9 | Confident | 90 Ų | 90 | 62.5 Ų | 62.5 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -53.3 | -42.9 | -176.9 | -167.8 | -173.5 | 164.5 | 0 | 0 | 114.7 | D44 A50 V51 K52 | D44-E48 PolarHBondContact O-N 3.23Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.29Å; E48-V51 PolarHBondContact O-N 3.05Å; E48-K52 HydrophobicContact CG-CD 4.38Å; E48-K52 WeakPolarHBondContact O-CG 3.42Å; E48-K52 PolarHBondContact O-N 3.36Å; E48-K52 WeakPolarHBondContact OE1-CE 3.06Å; E48-K52 IonicContact OE1-NZ 3.93Å; E48-K52 PolarHBondContact OE1-NZ 3.5Å |
| 49 | P | 89.6 | Confident | 88.1 | Confident | 62 Ų | 62 | 60.5 Ų | 60.5 | 40% | 0.403 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 176.7 | -22.5 | 34.9 | 0 | 0 | 0 | 113 | M47 Y53 | M47-P49 VanDerWaalsContact C-CD 3.49Å; P49-Y53 WeakPolarHBondContact O-CB 3.49Å; P49-Y53 PolarHBondContact O-N 2.96Å |
| 50 | A | 88.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.3 | -46.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | M47 E48 K52 Y53 I54 N69 L70 I73 | M47-A50 WeakPolarHBondContact O-CB 3.43Å; M47-A50 PolarHBondContact O-N 3.12Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.29Å; A50-K52 PolarHBondContact O-N 3.4Å; A50-Y53 PolarHBondContact O-N 3.19Å; A50-I54 WeakPolarHBondContact O-CB 3.33Å; A50-I54 VanDerWaalsContact O-CG1 3.25Å; A50-I54 WeakPolarHBondContact O-CG1 3.34Å; A50-I54 PolarHBondContact O-N 3.33Å; A50-N69 VanDerWaalsContact CA-O 3.23Å; A50-N69 WeakPolarHBondContact CA-O 3.38Å; A50-N69 VanDerWaalsContact CB-O 3.27Å; A50-N69 WeakPolarHBondContact CB-O 3.37Å; A50-N69 PolarHBondContact N-O 3.2Å; A50-L70 HydrophobicContact CB-CD2 4.09Å; A50-I73 HydrophobicContact CB-CD1 3.81Å; A50-I73 HydrophobicContact CB-CG1 4.06Å |
| 51 | V | 90.6 | Very high | 88.5 | Confident | 24 Ų | 24 | 64.5 Ų | 64.5 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56 | -49.1 | 176.6 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | L42 M47 E48 Y53 N55 V149 M153 | L42-V51 HydrophobicContact CD2-CG2 4.35Å; M47-V51 WeakPolarHBondContact O-CG2 3.31Å; M47-V51 PolarHBondContact O-N 3.39Å; E48-V51 PolarHBondContact O-N 3.05Å; V51-Y53 PolarHBondContact O-N 3.39Å; V51-N55 WeakPolarHBondContact O-CB 3.43Å; V51-N55 PolarHBondContact O-N 3.38Å; V51-V149 HydrophobicContact CB-CG1 4.23Å; V51-V149 HydrophobicContact CG1-CG1 3.87Å; V51-V149 HydrophobicContact CG1-CG2 3.98Å; V51-V149 HydrophobicContact CG2-CG1 3.91Å; V51-M153 HydrophobicContact CG2-SD 4.18Å |
| 52 | K | 91 | Very high | 88.3 | Confident | 129 Ų | 129 | 67 Ų | 67 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.4 | -41.5 | 178.2 | -75.1 | 178 | 178.7 | 170.9 | 0 | 112.5 | E48 A50 K56 | E48-K52 HydrophobicContact CG-CD 4.38Å; E48-K52 WeakPolarHBondContact O-CG 3.42Å; E48-K52 PolarHBondContact O-N 3.36Å; E48-K52 WeakPolarHBondContact OE1-CE 3.06Å; E48-K52 IonicContact OE1-NZ 3.93Å; E48-K52 PolarHBondContact OE1-NZ 3.5Å; A50-K52 PolarHBondContact O-N 3.4Å; K52-K56 WeakPolarHBondContact O-CB 3.43Å; K52-K56 PolarHBondContact O-N 2.98Å; K52-K56 VanDerWaalsContact O-N 3.15Å |
| 53 | Y | 90.8 | Very high | 87.8 | Confident | 23 Ų | 23 | 67.3 Ų | 67.3 | 9% | 0.09 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65 | -48.7 | 178.7 | 179.3 | -105.1 | 0 | 0 | 0 | 111.7 | P49 A50 V51 K56 K57 I61 D62 N69 L70 | P49-Y53 WeakPolarHBondContact O-CB 3.49Å; P49-Y53 PolarHBondContact O-N 2.96Å; A50-Y53 PolarHBondContact O-N 3.19Å; V51-Y53 PolarHBondContact O-N 3.39Å; Y53-K56 PolarHBondContact O-N 3.17Å; Y53-K57 HydrophobicContact CD2-CG 4.13Å; Y53-K57 HydrophobicContact CE1-CG 4.5Å; Y53-K57 HydrophobicContact CE2-CG 3.78Å; Y53-K57 WeakPolarHBondContact O-CB 3.41Å; Y53-K57 PolarHBondContact O-N 3.01Å; Y53-I61 HydrophobicContact CD1-CG2 4.32Å; Y53-I61 HydrophobicContact CE1-CG2 3.85Å; Y53-D62 PolarHBondContact OH-O 3.49Å; Y53-D62 VanDerWaalsContact OH-O 3.07Å; Y53-N69 HydrophobicContact CG-CB 4.15Å; Y53-L70 HydrophobicContact CD1-CD1 4.27Å; Y53-L70 HydrophobicContact CD1-CD2 4.02Å; Y53-L70 HydrophobicContact CD1-CG 4.1Å; Y53-L70 HydrophobicContact CE1-CD1 4.03Å; Y53-L70 HydrophobicContact CE1-CG 4.29Å |
| 54 | I | 91.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58 | -51.9 | 178.1 | -70.9 | 169.7 | 0 | 0 | 0 | 110.1 | A50 K56 K57 F58 I61 L70 I73 M153 | A50-I54 WeakPolarHBondContact O-CB 3.33Å; A50-I54 VanDerWaalsContact O-CG1 3.25Å; A50-I54 WeakPolarHBondContact O-CG1 3.34Å; A50-I54 PolarHBondContact O-N 3.33Å; I54-K56 VanDerWaalsContact C-N 3.27Å; I54-K56 PolarHBondContact O-N 3.08Å; I54-K57 PolarHBondContact O-N 3.45Å; I54-F58 WeakPolarHBondContact O-CB 3.18Å; I54-F58 PolarHBondContact O-N 3.35Å; I54-I61 HydrophobicContact CB-CD1 4.42Å; I54-I61 HydrophobicContact CG1-CD1 4.3Å; I54-I61 HydrophobicContact CG2-CD1 3.83Å; I54-L70 HydrophobicContact CD1-CD2 4.16Å; I54-L70 HydrophobicContact CG1-CD2 4.09Å; I54-I73 HydrophobicContact CD1-CD1 3.66Å; I54-M153 HydrophobicContact CD1-CB 4.35Å; I54-M153 HydrophobicContact CD1-CG 3.46Å; I54-M153 VanDerWaalsContact CD1-CG 3.46Å |
| 55 | N | 91.1 | Very high | 85.9 | Confident | 79 Ų | 79 | 72.4 Ų | 72.4 | 42% | 0.422 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.6 | -37.2 | -178 | -160.7 | 29.5 | 0 | 0 | 0 | 112.6 | V51 V149 | V51-N55 WeakPolarHBondContact O-CB 3.43Å; V51-N55 PolarHBondContact O-N 3.38Å; N55-V149 HydrophobicContact CB-CG2 3.83Å |
| 56 | K | 91 | Very high | 84.6 | Confident | 180 Ų | 180 | 67.3 Ų | 67.3 | 78% | 0.783 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -73.5 | -33.1 | 179.2 | -176.1 | 176.6 | -179.4 | 178.2 | 0 | 113.4 | K52 Y53 I54 | K52-K56 WeakPolarHBondContact O-CB 3.43Å; K52-K56 PolarHBondContact O-N 2.98Å; K52-K56 VanDerWaalsContact O-N 3.15Å; Y53-K56 PolarHBondContact O-N 3.17Å; I54-K56 VanDerWaalsContact C-N 3.27Å; I54-K56 PolarHBondContact O-N 3.08Å |
| 57 | K | 91.9 | Very high | 83.6 | Confident | 104 Ų | 104 | 68 Ų | 68 | 45% | 0.452 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -97.6 | -9.3 | -175.3 | -69 | -63.1 | -168.7 | 171.4 | 0 | 113.7 | Y53 I54 N60 I61 | Y53-K57 HydrophobicContact CD2-CG 4.13Å; Y53-K57 HydrophobicContact CE1-CG 4.5Å; Y53-K57 HydrophobicContact CE2-CG 3.78Å; Y53-K57 WeakPolarHBondContact O-CB 3.41Å; Y53-K57 PolarHBondContact O-N 3.01Å; I54-K57 PolarHBondContact O-N 3.45Å; K57-N60 CarbonylContact O-C 3.09Å; K57-N60 WeakPolarHBondContact O-CA 3.42Å; K57-N60 PolarHBondContact O-N 3.01Å; K57-N60 VanDerWaalsContact O-O 3.08Å; K57-I61 HydrophobicContact CB-CG1 4.46Å |
| 58 | F | 92.4 | Very high | 82.9 | Confident | 24 Ų | 24 | 75.8 Ų | 75.8 | 11% | 0.105 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 136 | 179.8 | -167 | -86.2 | 0 | 0 | 0 | 112.2 | I54 K148 V151 Y169 F176 | I54-F58 WeakPolarHBondContact O-CB 3.18Å; I54-F58 PolarHBondContact O-N 3.35Å; F58-K148 HydrophobicContact CB-CB 4.19Å; F58-K148 HydrophobicContact CB-CD 4.39Å; F58-K148 HydrophobicContact CD1-CB 4.06Å; F58-K148 HydrophobicContact CD1-CD 3.94Å; F58-K148 HydrophobicContact CD1-CG 3.73Å; F58-K148 HydrophobicContact CD2-CB 3.89Å; F58-K148 HydrophobicContact CD2-CG 4.45Å; F58-K148 VanDerWaalsContact CD2-O 3.25Å; F58-K148 WeakPolarHBondContact CD2-O 3.39Å; F58-K148 HydrophobicContact CE1-CB 4.43Å; F58-K148 HydrophobicContact CE1-CG 3.99Å; F58-K148 HydrophobicContact CE2-CB 4.26Å; F58-K148 WeakPolarHBondContact CE2-O 3.44Å; F58-K148 HydrophobicContact CG-CB 3.76Å; F58-K148 HydrophobicContact CG-CD 4.26Å; F58-K148 HydrophobicContact CG-CG 3.97Å; F58-K148 HydrophobicContact CZ-CG 4.44Å; F58-V151 HydrophobicContact CE2-CB 4.36Å; F58-V151 HydrophobicContact CE2-CG1 4.2Å; F58-V151 HydrophobicContact CZ-CG1 4.41Å; F58-Y169 HydrophobicContact CE2-CE2 4.09Å; F58-F176 HydrophobicContact CE1-CB 3.98Å; F58-F176 AromaticContact CE1-CD2 4Å; F58-F176 HydrophobicContact CE1-CD2 4Å; F58-F176 HydrophobicContact CE1-CG 4.46Å; F58-F176 HydrophobicContact CZ-CB 4.48Å; F58-F176 AromaticContact CZ-CD2 3.75Å; F58-F176 HydrophobicContact CZ-CD2 3.75Å; F58-F176 HydrophobicContact CZ-CE2 4.47Å |
| 59 | P | 91.2 | Very high | 82.5 | Confident | 25 Ų | 25 | 74.4 Ų | 74.4 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -86 | -9.7 | -0.6 | 33.4 | -34.8 | 0 | 0 | 0 | 114.2 | I61 Y169 V177 | P59-I61 PolarHBondContact O-N 3.42Å; P59-Y169 WeakPolarHBondContact O-CE1 3.05Å; P59-Y169 PolarHBondContact O-OH 2.82Å; P59-V177 HydrophobicContact CG-CG2 4.19Å |
| 60 | N | 89.6 | Confident | 82.2 | Confident | 140 Ų | 140 | 71.5 Ų | 71.5 | 75% | 0.749 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -89.9 | 76.4 | -173.9 | -63.7 | -38.4 | 0 | 0 | 0 | 112.3 | K57 | K57-N60 CarbonylContact O-C 3.09Å; K57-N60 WeakPolarHBondContact O-CA 3.42Å; K57-N60 PolarHBondContact O-N 3.01Å; K57-N60 VanDerWaalsContact O-O 3.08Å |
| 61 | I | 85.9 | Confident | 82.1 | Confident | 13 Ų | 13 | 73.9 Ų | 73.9 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | trans | -88.3 | 124.6 | -178.2 | -50.7 | 164.3 | 0 | 0 | 0 | 109.6 | Y53 I54 K57 P59 F63 L70 Y169 | Y53-I61 HydrophobicContact CD1-CG2 4.32Å; Y53-I61 HydrophobicContact CE1-CG2 3.85Å; I54-I61 HydrophobicContact CB-CD1 4.42Å; I54-I61 HydrophobicContact CG1-CD1 4.3Å; I54-I61 HydrophobicContact CG2-CD1 3.83Å; K57-I61 HydrophobicContact CB-CG1 4.46Å; P59-I61 PolarHBondContact O-N 3.42Å; I61-F63 HydrophobicContact CB-CD1 4.31Å; I61-F63 HydrophobicContact CB-CE1 3.49Å; I61-F63 VanDerWaalsContact CB-CE1 3.49Å; I61-F63 HydrophobicContact CB-CE2 4.46Å; I61-F63 HydrophobicContact CB-CZ 3.6Å; I61-F63 HydrophobicContact CD1-CE1 4.29Å; I61-F63 HydrophobicContact CD1-CZ 4.46Å; I61-F63 HydrophobicContact CG2-CD1 3.74Å; I61-F63 HydrophobicContact CG2-CE1 3.3Å; I61-F63 HydrophobicContact CG2-CZ 3.97Å; I61-F63 WeakPolarHBondContact O-CD2 3.21Å; I61-F63 WeakPolarHBondContact O-CE2 3.47Å; I61-F63 WeakPolarHBondContact O-CZ 3.36Å; I61-L70 HydrophobicContact CG2-CD1 4.46Å; I61-Y169 VanDerWaalsContact CD1-OH 3.3Å; I61-Y169 WeakPolarHBondContact CD1-OH 3.47Å | ||
| 62 | D | 79.8 | Confident | 81.7 | Confident | 78 Ų | 78 | 73.7 Ų | 73.7 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | trans | -91.5 | 109.4 | 175.6 | 176.4 | 11.9 | 0 | 0 | 0 | 110.7 | Y53 R64 G65 | Y53-D62 PolarHBondContact OH-O 3.49Å; Y53-D62 VanDerWaalsContact OH-O 3.07Å; D62-R64 PolarHBondContact OD1-N 2.89Å; D62-R64 VanDerWaalsContact OD1-N 3.1Å; D62-G65 PolarHBondContact OD1-N 3.34Å; D62-G65 WeakPolarHBondContact OD2-CA 3.34Å | ||
| 63 | F | 73.1 | Confident | 81.5 | Confident | 26 Ų | 26 | 67.5 Ų | 67.5 | 11% | 0.114 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -93.2 | -19.7 | -177.7 | -38.9 | -77.2 | 0 | 0 | 0 | 113.5 | I61 L70 C156 E159 | I61-F63 HydrophobicContact CB-CD1 4.31Å; I61-F63 HydrophobicContact CB-CE1 3.49Å; I61-F63 VanDerWaalsContact CB-CE1 3.49Å; I61-F63 HydrophobicContact CB-CE2 4.46Å; I61-F63 HydrophobicContact CB-CZ 3.6Å; I61-F63 HydrophobicContact CD1-CE1 4.29Å; I61-F63 HydrophobicContact CD1-CZ 4.46Å; I61-F63 HydrophobicContact CG2-CD1 3.74Å; I61-F63 HydrophobicContact CG2-CE1 3.3Å; I61-F63 HydrophobicContact CG2-CZ 3.97Å; I61-F63 WeakPolarHBondContact O-CD2 3.21Å; I61-F63 WeakPolarHBondContact O-CE2 3.47Å; I61-F63 WeakPolarHBondContact O-CZ 3.36Å; F63-L70 HydrophobicContact CD1-CD1 3.97Å; F63-C156 HydrophobicContact CD1-CB 4.19Å; F63-C156 HydrophobicContact CE1-CB 3.99Å; F63-C156 WeakPolarHBondContact CE1-SG 3.07Å; F63-E159 HydrophobicContact CD2-CG 4.47Å; F63-E159 WeakPolarHBondContact CD2-OE2 3.41Å; F63-E159 WeakPolarHBondContact CE2-OE2 3.49Å |
| 64 | R | 68.3 | Low | 81.2 | Confident | 195 Ų | 195 | 70.5 Ų | 70.5 | 74% | 0.736 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -95.8 | -31.6 | -174.6 | -63.8 | -175.8 | -172.9 | -173.4 | 0.4 | 112.3 | D62 | D62-R64 PolarHBondContact OD1-N 2.89Å; D62-R64 VanDerWaalsContact OD1-N 3.1Å |
| 65 | G | 60.5 | Low | 81 | Confident | 56 Ų | 56 | 80.6 Ų | 80.6 | 58% | 0.577 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -88.9 | -19.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | D62 | D62-G65 PolarHBondContact OD1-N 3.34Å; D62-G65 WeakPolarHBondContact OD2-CA 3.34Å |
| 66 | N | 60 | Low | 80.9 | Confident | 71 Ų | 71 | 80.4 Ų | 80.4 | 38% | 0.38 | 39% | 0.39 | S | S | . | . | trans | -139.1 | 56.6 | -168.2 | -127.8 | -19.6 | 0 | 0 | 0 | 114.1 | Q68 | N66-Q68 PolarHBondContact O-N 3.43Å; N66-Q68 VanDerWaalsContact O-N 3.15Å | ||
| 67 | I | 63.2 | Low | 80.8 | Confident | 108 Ų | 108 | 74.7 Ų | 74.7 | 55% | 0.554 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.7 | -29.9 | -174.5 | -64.4 | 169.5 | 0 | 0 | 0 | 112.9 | N69 L70 T71 | I67-N69 PolarHBondContact O-N 3.17Å; I67-L70 CarbonylContact O-C 3.52Å; I67-L70 PolarHBondContact O-N 3.42Å; I67-L70 VanDerWaalsContact O-N 3.07Å; I67-T71 PolarHBondContact O-N 3.29Å; I67-T71 PolarHBondContact O-OG1 3.25Å |
| 68 | Q | 72.2 | Confident | 80.7 | Confident | 165 Ų | 165 | 73.8 Ų | 73.8 | 77% | 0.771 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -57.3 | -43.5 | -172.4 | -70.3 | -178.8 | -5.7 | 0 | 0 | 113.7 | N66 T71 | N66-Q68 PolarHBondContact O-N 3.43Å; N66-Q68 VanDerWaalsContact O-N 3.15Å; Q68-T71 WeakPolarHBondContact CA-OG1 3.25Å; Q68-T71 PolarHBondContact O-OG1 3.04Å |
| 69 | N | 80.8 | Confident | 80.6 | Confident | 61 Ų | 61 | 78.5 Ų | 78.5 | 33% | 0.326 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -77.7 | -18.9 | -179.8 | -65.7 | -36.2 | 0 | 0 | 0 | 113.7 | A50 Y53 I67 | A50-N69 VanDerWaalsContact CA-O 3.23Å; A50-N69 WeakPolarHBondContact CA-O 3.38Å; A50-N69 VanDerWaalsContact CB-O 3.27Å; A50-N69 WeakPolarHBondContact CB-O 3.37Å; A50-N69 PolarHBondContact N-O 3.2Å; Y53-N69 HydrophobicContact CG-CB 4.15Å; I67-N69 PolarHBondContact O-N 3.17Å |
| 70 | L | 84.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -108.7 | 6.1 | -177.5 | -61.6 | 176.4 | 0 | 0 | 0 | 113 | A50 Y53 I54 I61 F63 I67 C72 I73 Q74 M160 | A50-L70 HydrophobicContact CB-CD2 4.09Å; Y53-L70 HydrophobicContact CD1-CD1 4.27Å; Y53-L70 HydrophobicContact CD1-CD2 4.02Å; Y53-L70 HydrophobicContact CD1-CG 4.1Å; Y53-L70 HydrophobicContact CE1-CD1 4.03Å; Y53-L70 HydrophobicContact CE1-CG 4.29Å; I54-L70 HydrophobicContact CD1-CD2 4.16Å; I54-L70 HydrophobicContact CG1-CD2 4.09Å; I61-L70 HydrophobicContact CG2-CD1 4.46Å; F63-L70 HydrophobicContact CD1-CD1 3.97Å; I67-L70 CarbonylContact O-C 3.52Å; I67-L70 PolarHBondContact O-N 3.42Å; I67-L70 VanDerWaalsContact O-N 3.07Å; L70-C72 PolarHBondContact O-N 3.15Å; L70-I73 HydrophobicContact CD2-CD1 4.08Å; L70-I73 PolarHBondContact O-N 3.43Å; L70-I73 VanDerWaalsContact O-N 3.12Å; L70-Q74 PolarHBondContact O-N 3.47Å; L70-M160 HydrophobicContact CB-CE 3.94Å; L70-M160 HydrophobicContact CD1-CE 4.28Å |
| 71 | T | 84.8 | Confident | 80.6 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 31% | 0.307 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.9 | -36.3 | -176.9 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | I67 Q68 Q74 R75 | I67-T71 PolarHBondContact O-N 3.29Å; I67-T71 PolarHBondContact O-OG1 3.25Å; Q68-T71 WeakPolarHBondContact CA-OG1 3.25Å; Q68-T71 PolarHBondContact O-OG1 3.04Å; T71-Q74 PolarHBondContact O-N 3.09Å; T71-R75 WeakPolarHBondContact O-CG 3.24Å; T71-R75 PolarHBondContact O-N 3.21Å; T71-R75 VanDerWaalsContact O-N 3.14Å |
| 72 | C | 83.6 | Confident | 80.9 | Confident | 20 Ų | 20 | 75.5 Ų | 75.5 | 14% | 0.135 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68 | -43.8 | 177.7 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | V46 M47 L70 Q74 R75 Q76 | V46-C72 HydrophobicContact CG1-CB 4.16Å; M47-C72 HydrophobicContact CE-CB 4.03Å; M47-C72 HydrophobicContact SD-CB 3.78Å; L70-C72 PolarHBondContact O-N 3.15Å; C72-Q74 VanDerWaalsContact C-N 3.34Å; C72-Q74 PolarHBondContact O-N 3.28Å; C72-R75 PolarHBondContact O-N 2.76Å; C72-Q76 PolarHBondContact O-N 3.19Å |
| 73 | I | 85.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 173.8 | -62.2 | -177.5 | 0 | 0 | 0 | 110.4 | M47 A50 I54 L70 R75 Q76 K77 V80 M153 C156 A157 M160 | M47-I73 HydrophobicContact SD-CG1 4.22Å; A50-I73 HydrophobicContact CB-CD1 3.81Å; A50-I73 HydrophobicContact CB-CG1 4.06Å; I54-I73 HydrophobicContact CD1-CD1 3.66Å; L70-I73 HydrophobicContact CD2-CD1 4.08Å; L70-I73 PolarHBondContact O-N 3.43Å; L70-I73 VanDerWaalsContact O-N 3.12Å; I73-R75 VanDerWaalsContact C-N 3.27Å; I73-R75 PolarHBondContact O-N 3.43Å; I73-Q76 CarbonylContact O-C 3.16Å; I73-Q76 PolarHBondContact O-N 2.86Å; I73-K77 WeakPolarHBondContact O-CA 3.34Å; I73-K77 WeakPolarHBondContact O-CB 3.29Å; I73-K77 PolarHBondContact O-N 2.9Å; I73-V80 HydrophobicContact CG2-CG1 4.48Å; I73-M153 HydrophobicContact CD1-CE 3.94Å; I73-M153 HydrophobicContact CD1-CG 4.03Å; I73-M153 HydrophobicContact CG1-CE 4.19Å; I73-C156 HydrophobicContact CD1-CB 4.44Å; I73-C156 HydrophobicContact CG2-CB 4.12Å; I73-A157 HydrophobicContact CG2-CB 4.04Å; I73-M160 HydrophobicContact CG2-SD 4.01Å |
| 74 | Q | 85.1 | Confident | 82.3 | Confident | 86 Ų | 86 | 72.4 Ų | 72.4 | 40% | 0.402 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.1 | -38.4 | 176.6 | -178.9 | 67 | 24.6 | 0 | 0 | 112.5 | L70 T71 C72 M160 | L70-Q74 PolarHBondContact O-N 3.47Å; T71-Q74 PolarHBondContact O-N 3.09Å; C72-Q74 VanDerWaalsContact C-N 3.34Å; C72-Q74 PolarHBondContact O-N 3.28Å; Q74-M160 HydrophobicContact CB-CE 4.4Å; Q74-M160 HydrophobicContact CB-SD 4.11Å; Q74-M160 PolarHBondContact OE1-SD 3.23Å |
| 75 | R | 87.1 | Confident | 83.5 | Confident | 211 Ų | 211 | 64.5 Ų | 64.5 | 80% | 0.796 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -72.1 | -33.5 | 178.6 | -74.9 | 178.3 | 178.7 | -176.8 | 0 | 112.9 | T71 C72 I73 | T71-R75 WeakPolarHBondContact O-CG 3.24Å; T71-R75 PolarHBondContact O-N 3.21Å; T71-R75 VanDerWaalsContact O-N 3.14Å; C72-R75 PolarHBondContact O-N 2.76Å; I73-R75 VanDerWaalsContact C-N 3.27Å; I73-R75 PolarHBondContact O-N 3.43Å |
| 76 | Q | 88.8 | Confident | 85 | Confident | 75 Ų | 75 | 64.3 Ų | 64.3 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 25.8 | -175.7 | -68.8 | 179.5 | -13.3 | 0 | 0 | 113.1 | M47 C72 I73 S78 E79 V80 | M47-Q76 HydrophobicContact CE-CB 4.26Å; C72-Q76 PolarHBondContact O-N 3.19Å; I73-Q76 CarbonylContact O-C 3.16Å; I73-Q76 PolarHBondContact O-N 2.86Å; Q76-S78 VanDerWaalsContact C-N 3.3Å; Q76-S78 PolarHBondContact O-N 3.33Å; Q76-E79 HydrophobicContact CB-CB 4.49Å; Q76-E79 PolarHBondContact O-N 3.24Å; Q76-V80 HydrophobicContact CB-CG2 4.43Å; Q76-V80 WeakPolarHBondContact O-CG2 3.49Å; Q76-V80 PolarHBondContact O-N 3.48Å |
| 77 | K | 88.6 | Confident | 86.6 | Confident | 61 Ų | 61 | 61.6 Ų | 61.6 | 27% | 0.265 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.9 | -37 | -168.9 | 60.4 | -174 | -173.3 | 176.5 | 0 | 114.3 | I73 L81 A157 M160 | I73-K77 WeakPolarHBondContact O-CA 3.34Å; I73-K77 WeakPolarHBondContact O-CB 3.29Å; I73-K77 PolarHBondContact O-N 2.9Å; K77-L81 WeakPolarHBondContact O-CB 3.28Å; K77-L81 WeakPolarHBondContact O-CG 3.32Å; K77-L81 PolarHBondContact O-N 3.13Å; K77-A157 HydrophobicContact CB-CB 4.22Å; K77-M160 HydrophobicContact CD-CB 4.17Å; K77-M160 PolarHBondContact NZ-O 3.33Å |
| 78 | S | 90.6 | Very high | 88.1 | Confident | 85 Ų | 85 | 56.6 Ų | 56.6 | 59% | 0.594 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67.7 | -39.7 | 176.2 | 33.3 | 0 | 0 | 0 | 0 | 112.7 | Q76 A82 | Q76-S78 VanDerWaalsContact C-N 3.3Å; Q76-S78 PolarHBondContact O-N 3.33Å; S78-A82 PolarHBondContact O-N 3.1Å; S78-A82 VanDerWaalsContact O-N 3.1Å |
| 79 | E | 89.4 | Confident | 89.2 | Confident | 122 Ų | 122 | 52.8 Ų | 52.8 | 57% | 0.57 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -69.8 | -42.6 | 176.7 | -65.5 | 173 | -171.5 | 0 | 0 | 111.2 | Q76 A82 A83 | Q76-E79 HydrophobicContact CB-CB 4.49Å; Q76-E79 PolarHBondContact O-N 3.24Å; E79-A82 PolarHBondContact O-N 2.7Å; E79-A83 VanDerWaalsContact O-CB 3.24Å; E79-A83 WeakPolarHBondContact O-CB 3.38Å; E79-A83 PolarHBondContact O-N 3.44Å |
| 80 | V | 89.9 | Confident | 89.9 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 176 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | M47 I73 Q76 A83 T84 M153 A157 | M47-V80 HydrophobicContact CE-CG2 4.4Å; I73-V80 HydrophobicContact CG2-CG1 4.48Å; Q76-V80 HydrophobicContact CB-CG2 4.43Å; Q76-V80 WeakPolarHBondContact O-CG2 3.49Å; Q76-V80 PolarHBondContact O-N 3.48Å; V80-A83 PolarHBondContact O-N 3.23Å; V80-T84 HydrophobicContact CG1-CG2 4.38Å; V80-T84 WeakPolarHBondContact O-CB 3.39Å; V80-T84 WeakPolarHBondContact O-CG2 3.33Å; V80-T84 PolarHBondContact O-N 3.38Å; V80-T84 PolarHBondContact O-OG1 3.46Å; V80-M153 HydrophobicContact CG1-CB 4.06Å; V80-M153 HydrophobicContact CG1-CE 4.35Å; V80-A157 HydrophobicContact CB-CB 4.18Å; V80-A157 HydrophobicContact CG1-CB 3.97Å |
| 81 | L | 91.6 | Very high | 90.5 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.6 | -52.3 | 175.3 | -83.9 | 171.8 | 0 | 0 | 0 | 111.6 | K77 A83 T84 A85 F154 A157 H158 T161 | K77-L81 WeakPolarHBondContact O-CB 3.28Å; K77-L81 WeakPolarHBondContact O-CG 3.32Å; K77-L81 PolarHBondContact O-N 3.13Å; L81-A83 VanDerWaalsContact C-N 3.3Å; L81-A83 PolarHBondContact O-N 2.76Å; L81-T84 PolarHBondContact O-N 3.32Å; L81-A85 WeakPolarHBondContact O-CB 3.49Å; L81-A85 PolarHBondContact O-N 3.17Å; L81-F154 HydrophobicContact CD2-CD2 3.86Å; L81-F154 HydrophobicContact CD2-CE2 3.75Å; L81-F154 HydrophobicContact CD2-CG 4.42Å; L81-F154 HydrophobicContact CD2-CZ 4.23Å; L81-A157 HydrophobicContact CD1-CB 4.45Å; L81-A157 HydrophobicContact CD2-CB 4.08Å; L81-A157 HydrophobicContact CG-CB 3.7Å; L81-H158 HydrophobicContact CD2-CB 3.97Å; L81-T161 HydrophobicContact CD1-CG2 4.45Å |
| 82 | A | 91.5 | Very high | 91 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 65% | 0.653 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.4 | -40.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S78 E79 | S78-A82 PolarHBondContact O-N 3.1Å; S78-A82 VanDerWaalsContact O-N 3.1Å; E79-A82 PolarHBondContact O-N 2.7Å |
| 83 | A | 89.4 | Confident | 91.6 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 33% | 0.331 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -76.6 | -19.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F41 E79 V80 L81 F87 | F41-A83 HydrophobicContact CD1-CB 3.94Å; F41-A83 HydrophobicContact CE1-CB 3.67Å; E79-A83 VanDerWaalsContact O-CB 3.24Å; E79-A83 WeakPolarHBondContact O-CB 3.38Å; E79-A83 PolarHBondContact O-N 3.44Å; V80-A83 PolarHBondContact O-N 3.23Å; L81-A83 VanDerWaalsContact C-N 3.3Å; L81-A83 PolarHBondContact O-N 2.76Å; A83-F87 WeakPolarHBondContact O-CE2 3.33Å |
| 84 | T | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -107.6 | -15.1 | -177.7 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | F41 V80 L81 S86 F87 Y88 M153 F154 | F41-T84 HydrophobicContact CE1-CG2 4.15Å; F41-T84 HydrophobicContact CE2-CG2 3.91Å; F41-T84 HydrophobicContact CZ-CG2 3.56Å; V80-T84 HydrophobicContact CG1-CG2 4.38Å; V80-T84 WeakPolarHBondContact O-CB 3.39Å; V80-T84 WeakPolarHBondContact O-CG2 3.33Å; V80-T84 PolarHBondContact O-N 3.38Å; V80-T84 PolarHBondContact O-OG1 3.46Å; L81-T84 PolarHBondContact O-N 3.32Å; T84-S86 PolarHBondContact O-N 3.32Å; T84-F87 PolarHBondContact O-N 3.49Å; T84-Y88 PolarHBondContact O-N 3.27Å; T84-M153 HydrophobicContact CG2-CB 4.34Å; T84-F154 WeakPolarHBondContact OG1-CA 3.39Å; T84-F154 WeakPolarHBondContact OG1-CB 3.14Å; T84-F154 WeakPolarHBondContact OG1-CD2 3.37Å |
| 85 | A | 93.5 | Very high | 92.5 | Very high | 28 Ų | 28 | 46.8 Ų | 46.8 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.1 | -53 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L81 F87 Y88 D89 F154 | L81-A85 WeakPolarHBondContact O-CB 3.49Å; L81-A85 PolarHBondContact O-N 3.17Å; A85-F87 PolarHBondContact O-N 3.46Å; A85-Y88 WeakPolarHBondContact O-CB 3.45Å; A85-Y88 PolarHBondContact O-N 3.02Å; A85-D89 PolarHBondContact O-N 3.01Å; A85-F154 HydrophobicContact CB-CD2 4.45Å; A85-F154 HydrophobicContact CB-CE2 3.94Å |
| 86 | S | 92.8 | Very high | 92.8 | Very high | 52 Ų | 52 | 41.5 Ų | 41.5 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.1 | -31.7 | -178 | 65.3 | 0 | 0 | 0 | 0 | 113.3 | T84 S90 | T84-S86 PolarHBondContact O-N 3.32Å; S86-S90 WeakPolarHBondContact O-CB 3.17Å; S86-S90 PolarHBondContact O-N 3.47Å; S86-S90 VanDerWaalsContact O-N 3.13Å; S86-S90 PolarHBondContact O-OG 3.22Å |
| 87 | F | 93.8 | Very high | 93.2 | Very high | 15 Ų | 15 | 38.1 Ų | 38.1 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.6 | -44.7 | 173.3 | -61.6 | -70.3 | 0 | 0 | 0 | 111.1 | I28 L31 P39 A83 T84 A85 S90 F91 L150 | I28-F87 HydrophobicContact CB-CD1 4.35Å; I28-F87 HydrophobicContact CB-CE1 4.46Å; I28-F87 HydrophobicContact CD1-CD1 4.02Å; I28-F87 HydrophobicContact CG1-CD1 3.77Å; I28-F87 HydrophobicContact CG1-CE1 4.04Å; I28-F87 HydrophobicContact CG2-CD1 3.77Å; I28-F87 HydrophobicContact CG2-CE1 4.04Å; L31-F87 HydrophobicContact CD1-CE1 4.09Å; L31-F87 HydrophobicContact CD1-CZ 4.2Å; P39-F87 HydrophobicContact CG-CE2 4.11Å; P39-F87 HydrophobicContact CG-CZ 3.98Å; A83-F87 WeakPolarHBondContact O-CE2 3.33Å; T84-F87 PolarHBondContact O-N 3.49Å; A85-F87 PolarHBondContact O-N 3.46Å; F87-S90 PolarHBondContact O-N 2.84Å; F87-F91 HydrophobicContact CB-CE2 4.27Å; F87-F91 WeakPolarHBondContact O-CD2 3.46Å; F87-F91 WeakPolarHBondContact O-CG 3.38Å; F87-F91 PolarHBondContact O-N 3.17Å; F87-F91 VanDerWaalsContact O-N 3.07Å; F87-L150 HydrophobicContact CB-CB 4.49Å; F87-L150 HydrophobicContact CB-CD1 4.31Å; F87-L150 HydrophobicContact CD1-CD1 4.26Å; F87-L150 HydrophobicContact CD2-CD2 4.09Å; F87-L150 HydrophobicContact CE2-CD2 4.5Å; F87-L150 HydrophobicContact CG-CD1 4.22Å; F87-L150 HydrophobicContact CG-CD2 4.31Å |
| 88 | Y | 95.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -50.7 | 177.4 | -174.4 | -100 | 0 | 0 | 0 | 111.4 | T84 A85 S90 F91 L92 V151 F154 D166 Y169 L172 | T84-Y88 PolarHBondContact O-N 3.27Å; A85-Y88 WeakPolarHBondContact O-CB 3.45Å; A85-Y88 PolarHBondContact O-N 3.02Å; Y88-S90 VanDerWaalsContact C-N 3.32Å; Y88-S90 PolarHBondContact O-N 3.44Å; Y88-F91 PolarHBondContact O-N 2.71Å; Y88-L92 HydrophobicContact CD1-CD1 3.94Å; Y88-L92 HydrophobicContact CD1-CG 4.29Å; Y88-L92 HydrophobicContact CE1-CD1 3.6Å; Y88-L92 HydrophobicContact CE1-CD2 4.34Å; Y88-L92 HydrophobicContact CE1-CG 4.06Å; Y88-L92 PolarHBondContact O-N 2.98Å; Y88-V151 HydrophobicContact CD2-CB 4.42Å; Y88-V151 HydrophobicContact CD2-CG1 4.02Å; Y88-V151 HydrophobicContact CD2-CG2 4.29Å; Y88-V151 HydrophobicContact CE2-CG1 3.91Å; Y88-F154 AromaticContact CD1-CD1 3.69Å; Y88-F154 HydrophobicContact CD1-CD1 3.69Å; Y88-F154 AromaticContact CD1-CE1 3.44Å; Y88-F154 HydrophobicContact CD1-CE1 3.44Å; Y88-F154 VanDerWaalsContact CD1-CE1 3.44Å; Y88-F154 HydrophobicContact CD1-CG 4.36Å; Y88-F154 AromaticContact CD1-CZ 3.92Å; Y88-F154 HydrophobicContact CD1-CZ 3.92Å; Y88-F154 HydrophobicContact CD2-CB 4.11Å; Y88-F154 AromaticContact CD2-CD1 3.47Å; Y88-F154 HydrophobicContact CD2-CD1 3.47Å; Y88-F154 VanDerWaalsContact CD2-CD1 3.47Å; Y88-F154 HydrophobicContact CD2-CE1 4.11Å; Y88-F154 AromaticContact CD2-CG 3.93Å; Y88-F154 HydrophobicContact CD2-CG 3.93Å; Y88-F154 AromaticContact CE1-CD1 3.94Å; Y88-F154 HydrophobicContact CE1-CD1 3.94Å; Y88-F154 AromaticContact CE1-CE1 3.57Å; Y88-F154 HydrophobicContact CE1-CE1 3.57Å; Y88-F154 HydrophobicContact CE1-CZ 4.35Å; Y88-F154 AromaticContact CE2-CD1 3.76Å; Y88-F154 HydrophobicContact CE2-CD1 3.76Å; Y88-F154 HydrophobicContact CE2-CE1 4.24Å; Y88-F154 HydrophobicContact CG-CB 4.35Å; Y88-F154 AromaticContact CG-CD1 3.44Å; Y88-F154 HydrophobicContact CG-CD1 3.44Å; Y88-F154 VanDerWaalsContact CG-CD1 3.44Å; Y88-F154 HydrophobicContact CG-CD2 4.36Å; Y88-F154 AromaticContact CG-CE1 3.73Å; Y88-F154 HydrophobicContact CG-CE1 3.73Å; Y88-F154 AromaticContact CG-CG 3.79Å; Y88-F154 HydrophobicContact CG-CG 3.79Å; Y88-F154 HydrophobicContact CG-CZ 4.29Å; Y88-F154 AromaticContact CZ-CD1 4Å; Y88-D166 VanDerWaalsContact OH-CG 3.28Å; Y88-D166 PolarHBondContact OH-OD1 3.5Å; Y88-Y169 WeakPolarHBondContact OH-CA 3.29Å; Y88-Y169 PolarHBondContact OH-N 3.41Å; Y88-Y169 VanDerWaalsContact OH-N 3.11Å; Y88-L172 HydrophobicContact CD2-CD2 3.98Å; Y88-L172 HydrophobicContact CE2-CD2 3.65Å |
| 89 | D | 94.9 | Very high | 93.7 | Very high | 84 Ų | 84 | 35 Ų | 35 | 45% | 0.449 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 177.9 | -62.8 | -25.1 | 0 | 0 | 0 | 111.4 | A85 F91 L92 D93 | A85-D89 PolarHBondContact O-N 3.01Å; D89-F91 VanDerWaalsContact C-N 3.26Å; D89-F91 PolarHBondContact O-N 3.28Å; D89-L92 WeakPolarHBondContact O-CB 3.44Å; D89-L92 PolarHBondContact O-N 3.34Å; D89-L92 VanDerWaalsContact O-N 3.1Å; D89-D93 PolarHBondContact O-N 2.98Å |
| 90 | S | 95.6 | Very high | 94.1 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 6% | 0.056 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -32.3 | 175.9 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | R24 M25 S86 F87 Y88 V94 | R24-S90 VanDerWaalsContact CZ-OG 3.27Å; R24-S90 PolarHBondContact NH1-OG 3.09Å; R24-S90 VanDerWaalsContact NH1-OG 3.16Å; M25-S90 VanDerWaalsContact CE-O 3.29Å; M25-S90 WeakPolarHBondContact CE-O 3.49Å; S86-S90 WeakPolarHBondContact O-CB 3.17Å; S86-S90 PolarHBondContact O-N 3.47Å; S86-S90 VanDerWaalsContact O-N 3.13Å; S86-S90 PolarHBondContact O-OG 3.22Å; F87-S90 PolarHBondContact O-N 2.84Å; Y88-S90 VanDerWaalsContact C-N 3.32Å; Y88-S90 PolarHBondContact O-N 3.44Å; S90-V94 PolarHBondContact O-N 3.11Å |
| 91 | F | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -78.2 | -28.5 | 175.5 | -66.3 | -53.6 | 0 | 0 | 0 | 112.6 | M25 I28 F87 Y88 D89 V94 I95 L141 I144 K147 L150 V151 L172 F176 | M25-F91 HydrophobicContact CE-CD1 4.22Å; M25-F91 HydrophobicContact CE-CE1 4.43Å; M25-F91 HydrophobicContact SD-CD1 3.85Å; M25-F91 HydrophobicContact SD-CE1 3.8Å; I28-F91 HydrophobicContact CG2-CZ 4.17Å; F87-F91 HydrophobicContact CB-CE2 4.27Å; F87-F91 WeakPolarHBondContact O-CD2 3.46Å; F87-F91 WeakPolarHBondContact O-CG 3.38Å; F87-F91 PolarHBondContact O-N 3.17Å; F87-F91 VanDerWaalsContact O-N 3.07Å; Y88-F91 PolarHBondContact O-N 2.71Å; D89-F91 VanDerWaalsContact C-N 3.26Å; D89-F91 PolarHBondContact O-N 3.28Å; F91-V94 WeakPolarHBondContact O-CB 3.34Å; F91-V94 PolarHBondContact O-N 3.2Å; F91-I95 PolarHBondContact O-N 2.82Å; F91-L141 HydrophobicContact CD1-CD1 3.58Å; F91-L141 HydrophobicContact CE1-CD1 3.58Å; F91-I144 HydrophobicContact CE1-CD1 3.93Å; F91-I144 HydrophobicContact CZ-CD1 4.37Å; F91-I144 HydrophobicContact CZ-CG2 4.46Å; F91-K147 HydrophobicContact CE1-CB 4.24Å; F91-K147 HydrophobicContact CE2-CB 4.46Å; F91-K147 HydrophobicContact CZ-CB 3.89Å; F91-L150 HydrophobicContact CE2-CB 4.19Å; F91-L150 HydrophobicContact CE2-CD1 4.08Å; F91-L150 HydrophobicContact CZ-CD1 4.25Å; F91-V151 HydrophobicContact CB-CG2 4.42Å; F91-V151 HydrophobicContact CD2-CG2 3.41Å; F91-V151 VanDerWaalsContact CD2-CG2 3.41Å; F91-V151 HydrophobicContact CE2-CG2 3.97Å; F91-V151 HydrophobicContact CG-CG2 4.19Å; F91-L172 HydrophobicContact CB-CD1 3.87Å; F91-L172 HydrophobicContact CB-CD2 4.11Å; F91-F176 HydrophobicContact CB-CZ 4.13Å; F91-F176 AromaticContact CD1-CZ 3.95Å; F91-F176 HydrophobicContact CD1-CZ 3.95Å; F91-F176 HydrophobicContact CD2-CZ 4.29Å; F91-F176 HydrophobicContact CE1-CZ 4.43Å; F91-F176 AromaticContact CG-CZ 3.88Å; F91-F176 HydrophobicContact CG-CZ 3.88Å |
| 92 | L | 95.2 | Very high | 94.6 | Very high | 28 Ų | 28 | 35.7 Ų | 35.7 | 15% | 0.147 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.2 | -42.1 | 169.3 | -66.5 | -179.1 | 0 | 0 | 0 | 111.1 | Y88 D89 V94 I95 E96 L172 | Y88-L92 HydrophobicContact CD1-CD1 3.94Å; Y88-L92 HydrophobicContact CD1-CG 4.29Å; Y88-L92 HydrophobicContact CE1-CD1 3.6Å; Y88-L92 HydrophobicContact CE1-CD2 4.34Å; Y88-L92 HydrophobicContact CE1-CG 4.06Å; Y88-L92 PolarHBondContact O-N 2.98Å; D89-L92 WeakPolarHBondContact O-CB 3.44Å; D89-L92 PolarHBondContact O-N 3.34Å; D89-L92 VanDerWaalsContact O-N 3.1Å; L92-V94 PolarHBondContact O-N 3.26Å; L92-V94 VanDerWaalsContact O-N 3.16Å; L92-I95 HydrophobicContact CD2-CD1 4.21Å; L92-I95 WeakPolarHBondContact O-CA 3.48Å; L92-I95 WeakPolarHBondContact O-CB 3.31Å; L92-I95 PolarHBondContact O-N 3.34Å; L92-E96 PolarHBondContact O-N 3.01Å; L92-L172 HydrophobicContact CD2-CD2 4.11Å |
| 93 | D | 95.1 | Very high | 94.8 | Very high | 49 Ų | 49 | 37 Ų | 37 | 26% | 0.262 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -55.5 | -33.9 | 174.6 | -77 | -22.6 | 0 | 0 | 0 | 112.4 | R17 V21 D89 F97 | R17-D93 IonicContact CZ-OD1 3.92Å; R17-D93 IonicContact NH2-OD1 3.44Å; R17-D93 PolarHBondContact NH2-OD1 3.16Å; R17-D93 IonicContact NH2-OD2 2.79Å; R17-D93 PolarHBondContact NH2-OD2 3Å; V21-D93 HydrophobicContact CG2-CB 4.42Å; D89-D93 PolarHBondContact O-N 2.98Å; D93-F97 WeakPolarHBondContact O-CB 3.36Å; D93-F97 PolarHBondContact O-N 3.37Å |
| 94 | V | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.3 | -41.8 | 174.7 | 178 | 0 | 0 | 0 | 0 | 111.7 | V21 M25 S90 F91 L92 R98 V137 I138 L141 M175 | V21-V94 HydrophobicContact CG1-CB 4.48Å; V21-V94 HydrophobicContact CG1-CG2 3.64Å; M25-V94 HydrophobicContact CE-CG2 3.8Å; M25-V94 HydrophobicContact CG-CG2 3.89Å; M25-V94 HydrophobicContact SD-CG2 3.67Å; S90-V94 PolarHBondContact O-N 3.11Å; F91-V94 WeakPolarHBondContact O-CB 3.34Å; F91-V94 PolarHBondContact O-N 3.2Å; L92-V94 PolarHBondContact O-N 3.26Å; L92-V94 VanDerWaalsContact O-N 3.16Å; V94-R98 WeakPolarHBondContact O-CB 3.19Å; V94-R98 PolarHBondContact O-N 3.22Å; V94-V137 HydrophobicContact CG1-CG1 3.76Å; V94-V137 HydrophobicContact CG2-CG1 4.26Å; V94-I138 HydrophobicContact CG1-CD1 4.41Å; V94-L141 HydrophobicContact CG1-CD2 4.08Å; V94-M175 HydrophobicContact CG1-CE 4.21Å |
| 95 | I | 93.9 | Very high | 95.3 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.2 | -51.2 | 175.7 | -64.4 | 172.2 | 0 | 0 | 0 | 109.7 | F91 L92 F97 R98 D99 L172 M175 | F91-I95 PolarHBondContact O-N 2.82Å; L92-I95 HydrophobicContact CD2-CD1 4.21Å; L92-I95 WeakPolarHBondContact O-CA 3.48Å; L92-I95 WeakPolarHBondContact O-CB 3.31Å; L92-I95 PolarHBondContact O-N 3.34Å; I95-F97 VanDerWaalsContact C-N 3.34Å; I95-F97 PolarHBondContact O-N 3.35Å; I95-R98 WeakPolarHBondContact O-CB 3.15Å; I95-R98 PolarHBondContact O-N 3.15Å; I95-D99 WeakPolarHBondContact CG2-OD2 3.43Å; I95-D99 PolarHBondContact O-N 3.01Å; I95-L172 HydrophobicContact CD1-CB 3.64Å; I95-L172 HydrophobicContact CD1-CD1 3.58Å; I95-L172 HydrophobicContact CD1-CG 4.16Å; I95-L172 HydrophobicContact CG1-CD1 4.06Å; I95-M175 HydrophobicContact CB-SD 4.37Å; I95-M175 HydrophobicContact CD1-CE 4.4Å; I95-M175 HydrophobicContact CG1-CE 3.5Å; I95-M175 VanDerWaalsContact CG1-CE 3.5Å; I95-M175 HydrophobicContact CG1-SD 3.53Å; I95-M175 VanDerWaalsContact CG1-SD 3.53Å |
| 96 | E | 94.3 | Very high | 95.4 | Very high | 101 Ų | 101 | 36.7 Ų | 36.7 | 47% | 0.472 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.1 | -46.9 | -177.8 | -68.4 | -174.6 | 178.3 | 0 | 0 | 110.6 | L92 R98 D99 H100 | L92-E96 PolarHBondContact O-N 3.01Å; E96-R98 PolarHBondContact O-N 3.07Å; E96-D99 PolarHBondContact O-N 3.11Å; E96-H100 PolarHBondContact O-N 3.48Å; E96-H100 VanDerWaalsContact O-N 3.09Å; E96-H100 PolarHBondContact O-ND1 3.17Å |
| 97 | F | 97.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.5 | -49.5 | 174.6 | 172.8 | -114.3 | 0 | 0 | 0 | 111.6 | L14 R17 G18 V21 D93 I95 D99 H100 V101 L130 T133 Y134 V137 | L14-F97 HydrophobicContact CB-CE2 4.36Å; L14-F97 HydrophobicContact CD2-CD2 4.24Å; L14-F97 HydrophobicContact CD2-CE2 4.48Å; L14-F97 VanDerWaalsContact O-CE2 3.27Å; L14-F97 WeakPolarHBondContact O-CE2 3.47Å; R17-F97 HydrophobicContact CG-CD2 4.35Å; G18-F97 VanDerWaalsContact CA-CE2 3.47Å; G18-F97 VanDerWaalsContact CA-CZ 3.46Å; V21-F97 HydrophobicContact CG2-CB 4.48Å; D93-F97 WeakPolarHBondContact O-CB 3.36Å; D93-F97 PolarHBondContact O-N 3.37Å; I95-F97 VanDerWaalsContact C-N 3.34Å; I95-F97 PolarHBondContact O-N 3.35Å; F97-D99 VanDerWaalsContact C-N 3.34Å; F97-D99 PolarHBondContact O-N 2.91Å; F97-H100 PolarHBondContact O-N 3.39Å; F97-V101 HydrophobicContact CD2-CG2 3.9Å; F97-V101 HydrophobicContact CE1-CG2 4.19Å; F97-V101 HydrophobicContact CE2-CG2 3.43Å; F97-V101 VanDerWaalsContact CE2-CG2 3.43Å; F97-V101 HydrophobicContact CG-CG2 4.44Å; F97-V101 HydrophobicContact CZ-CG2 3.6Å; F97-V101 WeakPolarHBondContact O-CB 3.4Å; F97-V101 VanDerWaalsContact O-CG2 3.27Å; F97-V101 WeakPolarHBondContact O-CG2 3.25Å; F97-V101 PolarHBondContact O-N 3.07Å; F97-L130 HydrophobicContact CE2-CD1 4.06Å; F97-L130 HydrophobicContact CZ-CD1 4.04Å; F97-T133 HydrophobicContact CZ-CG2 4.35Å; F97-Y134 HydrophobicContact CE1-CD2 4.27Å; F97-V137 HydrophobicContact CD1-CG1 4.4Å; F97-V137 HydrophobicContact CD1-CG2 4.46Å; F97-V137 HydrophobicContact CE1-CB 4.38Å; F97-V137 HydrophobicContact CE1-CG2 4.03Å |
| 98 | R | 95.1 | Very high | 95.6 | Very high | 45 Ų | 45 | 34.6 Ų | 34.6 | 17% | 0.17 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.8 | -43.5 | 178.9 | 173.5 | -109.2 | 171.1 | -154 | -1.4 | 112.2 | V94 I95 E96 V101 Y102 Y134 Y179 E189 | V94-R98 WeakPolarHBondContact O-CB 3.19Å; V94-R98 PolarHBondContact O-N 3.22Å; I95-R98 WeakPolarHBondContact O-CB 3.15Å; I95-R98 PolarHBondContact O-N 3.15Å; E96-R98 PolarHBondContact O-N 3.07Å; R98-V101 PolarHBondContact O-N 3.4Å; R98-Y102 WeakPolarHBondContact O-CB 3.22Å; R98-Y102 PolarHBondContact O-N 2.68Å; R98-Y134 HydrophobicContact CB-CE2 3.74Å; R98-Y134 HydrophobicContact CG-CE2 3.43Å; R98-Y134 VanDerWaalsContact CG-CE2 3.43Å; R98-Y134 WeakPolarHBondContact CG-OH 3.38Å; R98-Y179 PolarHBondContact NE-OH 3.37Å; R98-E189 IonicContact CZ-OE1 2.94Å; R98-E189 IonicContact NE-OE1 3.84Å; R98-E189 IonicContact NH2-OE1 2.82Å; R98-E189 PolarHBondContact NH2-OE1 3.04Å |
| 99 | D | 94.6 | Very high | 95.5 | Very high | 36 Ų | 36 | 35.9 Ų | 35.9 | 19% | 0.193 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.8 | -47.4 | 179.6 | -62.3 | -35.1 | 0 | 0 | 0 | 112.3 | I95 E96 F97 V101 Y102 E103 R171 | I95-D99 WeakPolarHBondContact CG2-OD2 3.43Å; I95-D99 PolarHBondContact O-N 3.01Å; E96-D99 PolarHBondContact O-N 3.11Å; F97-D99 VanDerWaalsContact C-N 3.34Å; F97-D99 PolarHBondContact O-N 2.91Å; D99-V101 VanDerWaalsContact C-N 3.32Å; D99-V101 PolarHBondContact O-N 2.91Å; D99-Y102 PolarHBondContact O-N 3.32Å; D99-E103 WeakPolarHBondContact O-CB 3.31Å; D99-E103 PolarHBondContact O-N 3.28Å; D99-R171 IonicContact OD1-CZ 3Å; D99-R171 IonicContact OD1-NH2 3.11Å; D99-R171 PolarHBondContact OD1-NH2 3.42Å; D99-R171 IonicContact OD2-CZ 2.57Å; D99-R171 IonicContact OD2-NH1 2.85Å; D99-R171 PolarHBondContact OD2-NH1 3.14Å; D99-R171 IonicContact OD2-NH2 3.04Å; D99-R171 PolarHBondContact OD2-NH2 3.08Å |
| 100 | H | 97.3 | Very high | 95.4 | Very high | 99 Ų | 99 | 35.9 Ų | 35.9 | 46% | 0.458 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.3 | -37.5 | 179.6 | -70.3 | 93.9 | 0 | 0 | 0 | 111.6 | L14 E96 F97 L104 | L14-H100 HydrophobicContact CD1-CB 4.24Å; L14-H100 HydrophobicContact CD2-CB 3.77Å; E96-H100 PolarHBondContact O-N 3.48Å; E96-H100 VanDerWaalsContact O-N 3.09Å; E96-H100 PolarHBondContact O-ND1 3.17Å; F97-H100 PolarHBondContact O-N 3.39Å; H100-L104 WeakPolarHBondContact O-CB 3.16Å; H100-L104 PolarHBondContact O-N 3.48Å |
| 101 | V | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -50.2 | 172.6 | 172 | 0 | 0 | 0 | 0 | 110.2 | L14 F97 R98 D99 E103 L104 L105 L130 Y134 | L14-V101 HydrophobicContact CD1-CG2 4.28Å; F97-V101 HydrophobicContact CD2-CG2 3.9Å; F97-V101 HydrophobicContact CE1-CG2 4.19Å; F97-V101 HydrophobicContact CE2-CG2 3.43Å; F97-V101 VanDerWaalsContact CE2-CG2 3.43Å; F97-V101 HydrophobicContact CG-CG2 4.44Å; F97-V101 HydrophobicContact CZ-CG2 3.6Å; F97-V101 WeakPolarHBondContact O-CB 3.4Å; F97-V101 VanDerWaalsContact O-CG2 3.27Å; F97-V101 WeakPolarHBondContact O-CG2 3.25Å; F97-V101 PolarHBondContact O-N 3.07Å; R98-V101 PolarHBondContact O-N 3.4Å; D99-V101 VanDerWaalsContact C-N 3.32Å; D99-V101 PolarHBondContact O-N 2.91Å; V101-E103 VanDerWaalsContact C-N 3.34Å; V101-E103 PolarHBondContact O-N 3.46Å; V101-L104 PolarHBondContact O-N 3.04Å; V101-L104 VanDerWaalsContact O-N 3.12Å; V101-L105 HydrophobicContact CG1-CD1 3.99Å; V101-L105 HydrophobicContact CG1-CG 4.16Å; V101-L105 VanDerWaalsContact O-CG 3.31Å; V101-L105 WeakPolarHBondContact O-CG 3.25Å; V101-L105 PolarHBondContact O-N 2.97Å; V101-L130 HydrophobicContact CG1-CD2 4.31Å; V101-L130 HydrophobicContact CG1-CG 4.25Å; V101-L130 HydrophobicContact CG2-CD1 3.82Å; V101-L130 HydrophobicContact CG2-CD2 4.24Å; V101-L130 HydrophobicContact CG2-CG 4.15Å; V101-Y134 HydrophobicContact CG1-CD1 4.06Å; V101-Y134 HydrophobicContact CG1-CD2 4.37Å; V101-Y134 HydrophobicContact CG1-CG 3.91Å |
| 102 | Y | 94.1 | Very high | 95.2 | Very high | 73 Ų | 73 | 40.7 Ų | 40.7 | 29% | 0.286 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.6 | -41.1 | -178.6 | -168.6 | -102.9 | 0 | 0 | 0 | 112.2 | R98 D99 L104 L105 N106 E189 H193 | R98-Y102 WeakPolarHBondContact O-CB 3.22Å; R98-Y102 PolarHBondContact O-N 2.68Å; D99-Y102 PolarHBondContact O-N 3.32Å; Y102-L104 PolarHBondContact O-N 2.86Å; Y102-L105 PolarHBondContact O-N 2.94Å; Y102-N106 WeakPolarHBondContact CD1-ND2 3.38Å; Y102-N106 WeakPolarHBondContact CE1-ND2 3.47Å; Y102-N106 PolarHBondContact O-N 3.12Å; Y102-N106 PolarHBondContact O-ND2 2.95Å; Y102-E189 HydrophobicContact CE2-CB 4.28Å; Y102-H193 AromaticContact CE2-NE2 3.87Å |
| 103 | E | 96 | Very high | 95.1 | Very high | 107 Ų | 107 | 39.8 Ų | 39.8 | 50% | 0.5 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 172.7 | -172.3 | -168.5 | 151 | 0 | 0 | 111.8 | D99 V101 N106 T107 | D99-E103 WeakPolarHBondContact O-CB 3.31Å; D99-E103 PolarHBondContact O-N 3.28Å; V101-E103 VanDerWaalsContact C-N 3.34Å; V101-E103 PolarHBondContact O-N 3.46Å; E103-N106 PolarHBondContact O-N 3.31Å; E103-T107 PolarHBondContact O-N 2.95Å; E103-T107 PolarHBondContact O-OG1 3.47Å |
| 104 | L | 96.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.5 | -42.3 | 178.6 | -179.8 | 60.4 | 0 | 0 | 0 | 111.9 | L7 K10 L11 L14 H100 V101 Y102 N106 T107 I108 L130 | L7-L104 HydrophobicContact CD2-CD1 3.62Å; K10-L104 HydrophobicContact CB-CD1 4.05Å; K10-L104 HydrophobicContact CB-CD2 4Å; K10-L104 HydrophobicContact CD-CD1 4Å; L11-L104 HydrophobicContact CD2-CD2 3.79Å; L11-L104 HydrophobicContact CG-CD2 4.03Å; L14-L104 HydrophobicContact CD1-CB 4.36Å; L14-L104 HydrophobicContact CD1-CD2 3.76Å; H100-L104 WeakPolarHBondContact O-CB 3.16Å; H100-L104 PolarHBondContact O-N 3.48Å; V101-L104 PolarHBondContact O-N 3.04Å; V101-L104 VanDerWaalsContact O-N 3.12Å; Y102-L104 PolarHBondContact O-N 2.86Å; L104-N106 PolarHBondContact O-N 3.32Å; L104-T107 WeakPolarHBondContact O-CB 3.4Å; L104-T107 PolarHBondContact O-N 3.23Å; L104-T107 VanDerWaalsContact O-N 3.16Å; L104-I108 HydrophobicContact CD1-CD1 4.31Å; L104-I108 HydrophobicContact CD1-CG1 4.37Å; L104-I108 HydrophobicContact CG-CD1 4.08Å; L104-I108 WeakPolarHBondContact O-CG1 3.45Å; L104-I108 PolarHBondContact O-N 3.16Å; L104-L130 HydrophobicContact CD2-CD2 3.82Å |
| 105 | L | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 177.2 | -65.7 | -179.2 | 0 | 0 | 0 | 111.8 | V101 Y102 T107 I108 D109 Y127 L131 F190 | V101-L105 HydrophobicContact CG1-CD1 3.99Å; V101-L105 HydrophobicContact CG1-CG 4.16Å; V101-L105 VanDerWaalsContact O-CG 3.31Å; V101-L105 WeakPolarHBondContact O-CG 3.25Å; V101-L105 PolarHBondContact O-N 2.97Å; Y102-L105 PolarHBondContact O-N 2.94Å; L105-T107 VanDerWaalsContact C-N 3.28Å; L105-T107 PolarHBondContact O-N 3.2Å; L105-I108 PolarHBondContact O-N 3.21Å; L105-D109 PolarHBondContact O-N 3.12Å; L105-Y127 HydrophobicContact CD2-CD2 4.27Å; L105-Y127 HydrophobicContact CD2-CE2 3.55Å; L105-L131 HydrophobicContact CD1-CD2 3.93Å; L105-L131 HydrophobicContact CD2-CD2 3.53Å; L105-L131 HydrophobicContact CG-CD2 4.39Å; L105-F190 HydrophobicContact CD1-CE1 3.67Å; L105-F190 HydrophobicContact CD1-CZ 3.65Å |
| 106 | N | 95.9 | Very high | 95.3 | Very high | 60 Ų | 60 | 42.7 Ų | 42.7 | 32% | 0.321 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.3 | -38.7 | 173.7 | -72.2 | -48.2 | 0 | 0 | 0 | 112 | Y102 E103 L104 D109 A110 H193 | Y102-N106 WeakPolarHBondContact CD1-ND2 3.38Å; Y102-N106 WeakPolarHBondContact CE1-ND2 3.47Å; Y102-N106 PolarHBondContact O-N 3.12Å; Y102-N106 PolarHBondContact O-ND2 2.95Å; E103-N106 PolarHBondContact O-N 3.31Å; L104-N106 PolarHBondContact O-N 3.32Å; N106-D109 PolarHBondContact O-N 3.25Å; N106-A110 WeakPolarHBondContact O-CB 3.35Å; N106-A110 PolarHBondContact O-N 3.08Å; N106-H193 PolarHBondContact OD1-CE1 2.98Å |
| 107 | T | 95.3 | Very high | 95.4 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 14% | 0.135 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.3 | -44.3 | 177 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | Q5 L7 E103 L104 L105 D109 A110 C111 | Q5-T107 HydrophobicContact CB-CG2 4.36Å; Q5-T107 HydrophobicContact CG-CG2 4.17Å; L7-T107 HydrophobicContact CD2-CG2 4.01Å; E103-T107 PolarHBondContact O-N 2.95Å; E103-T107 PolarHBondContact O-OG1 3.47Å; L104-T107 WeakPolarHBondContact O-CB 3.4Å; L104-T107 PolarHBondContact O-N 3.23Å; L104-T107 VanDerWaalsContact O-N 3.16Å; L105-T107 VanDerWaalsContact C-N 3.28Å; L105-T107 PolarHBondContact O-N 3.2Å; T107-D109 VanDerWaalsContact C-N 3.33Å; T107-D109 PolarHBondContact O-N 2.81Å; T107-A110 PolarHBondContact O-N 2.81Å; T107-C111 WeakPolarHBondContact O-CB 3.39Å; T107-C111 PolarHBondContact O-N 3.11Å; T107-C111 PolarHBondContact O-SG 3.18Å |
| 108 | I | 94.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 177.1 | -73.5 | 172.1 | 0 | 0 | 0 | 111 | L7 L11 L104 L105 C111 Q112 C113 F115 Y127 | L7-I108 HydrophobicContact CD2-CG1 4.24Å; L11-I108 HydrophobicContact CD2-CD1 4.46Å; L104-I108 HydrophobicContact CD1-CD1 4.31Å; L104-I108 HydrophobicContact CD1-CG1 4.37Å; L104-I108 HydrophobicContact CG-CD1 4.08Å; L104-I108 WeakPolarHBondContact O-CG1 3.45Å; L104-I108 PolarHBondContact O-N 3.16Å; L105-I108 PolarHBondContact O-N 3.21Å; I108-C111 CarbonylContact O-C 3.39Å; I108-C111 PolarHBondContact O-N 3.24Å; I108-Q112 PolarHBondContact O-N 3.33Å; I108-C113 HydrophobicContact CG2-CB 4.16Å; I108-C113 PolarHBondContact O-N 2.91Å; I108-F115 HydrophobicContact CG2-CE2 3.79Å; I108-F115 HydrophobicContact CG2-CZ 3.69Å; I108-Y127 HydrophobicContact CD1-CD2 3.65Å; I108-Y127 HydrophobicContact CD1-CE2 3.84Å; I108-Y127 HydrophobicContact CG2-CE2 4.07Å |
| 109 | D | 93.6 | Very high | 95.1 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 16% | 0.16 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.2 | -41.8 | 176.7 | -83.5 | -2.9 | 0 | 0 | 0 | 112.9 | L105 N106 T107 C111 Q112 H193 S196 | L105-D109 PolarHBondContact O-N 3.12Å; N106-D109 PolarHBondContact O-N 3.25Å; T107-D109 VanDerWaalsContact C-N 3.33Å; T107-D109 PolarHBondContact O-N 2.81Å; D109-C111 VanDerWaalsContact C-N 3.26Å; D109-C111 PolarHBondContact O-N 3.15Å; D109-Q112 VanDerWaalsContact O-CG 3.32Å; D109-Q112 WeakPolarHBondContact O-CG 3.21Å; D109-Q112 PolarHBondContact O-N 3.18Å; D109-H193 IonicContact OD1-ND1 2.66Å; D109-H193 VanDerWaalsContact OD2-CA 3.26Å; D109-H193 WeakPolarHBondContact OD2-CA 3.46Å; D109-H193 IonicContact OD2-CE1 3.97Å; D109-H193 IonicContact OD2-CG 2.83Å; D109-H193 IonicContact OD2-ND1 2.97Å; D109-H193 PolarHBondContact OD2-ND1 2.84Å; D109-S196 VanDerWaalsContact OD1-CB 3.31Å; D109-S196 WeakPolarHBondContact OD1-CB 3.44Å; D109-S196 PolarHBondContact OD1-OG 3.01Å |
| 110 | A | 93.5 | Very high | 95.2 | Very high | 84 Ų | 84 | 36 Ų | 36 | 69% | 0.694 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -61.7 | -38.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N106 T107 Q112 | N106-A110 WeakPolarHBondContact O-CB 3.35Å; N106-A110 PolarHBondContact O-N 3.08Å; T107-A110 PolarHBondContact O-N 2.81Å; A110-Q112 PolarHBondContact O-N 3.01Å |
| 111 | C | 92.8 | Very high | 95.2 | Very high | 15 Ų | 15 | 31.5 Ų | 31.5 | 10% | 0.101 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73.8 | -13.2 | 174.4 | -63.9 | 0 | 0 | 0 | 0 | 113.1 | T107 I108 D109 C113 V494 N495 | T107-C111 WeakPolarHBondContact O-CB 3.39Å; T107-C111 PolarHBondContact O-N 3.11Å; T107-C111 PolarHBondContact O-SG 3.18Å; I108-C111 CarbonylContact O-C 3.39Å; I108-C111 PolarHBondContact O-N 3.24Å; D109-C111 VanDerWaalsContact C-N 3.26Å; D109-C111 PolarHBondContact O-N 3.15Å; C111-C113 VanDerWaalsContact C-N 3.3Å; C111-C113 PolarHBondContact O-N 2.98Å; C111-V494 HydrophobicContact CB-CB 4.31Å; C111-V494 HydrophobicContact CB-CG1 4Å; C111-N495 VanDerWaalsContact O-CB 3.27Å; C111-N495 WeakPolarHBondContact O-CB 3.22Å; C111-N495 PolarHBondContact O-N 2.82Å |
| 112 | Q | 93.3 | Very high | 95.1 | Very high | 94 Ų | 94 | 32 Ų | 32 | 44% | 0.439 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 50.7 | -176.6 | -63.7 | 179.9 | 10.6 | 0 | 0 | 112.2 | I108 D109 A110 N495 | I108-Q112 PolarHBondContact O-N 3.33Å; D109-Q112 VanDerWaalsContact O-CG 3.32Å; D109-Q112 WeakPolarHBondContact O-CG 3.21Å; D109-Q112 PolarHBondContact O-N 3.18Å; A110-Q112 PolarHBondContact O-N 3.01Å; Q112-N495 HydrophobicContact CB-CB 3.7Å; Q112-N495 PolarHBondContact OE1-ND2 3.24Å |
| 113 | C | 94.8 | Very high | 95.3 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 7% | 0.068 | 16% | 0.16 | C | C | . | . | trans | -60.8 | 141.9 | -173.6 | -62.8 | 0 | 0 | 0 | 0 | 113.3 | I108 C111 F115 F123 S493 | I108-C113 HydrophobicContact CG2-CB 4.16Å; I108-C113 PolarHBondContact O-N 2.91Å; C111-C113 VanDerWaalsContact C-N 3.3Å; C111-C113 PolarHBondContact O-N 2.98Å; C113-F115 HydrophobicContact CB-CD2 4.5Å; C113-F115 HydrophobicContact CB-CE2 3.84Å; C113-F115 HydrophobicContact CB-CZ 3.96Å; C113-F123 HydrophobicContact CB-CE1 4Å; C113-F123 HydrophobicContact CB-CZ 4.36Å; C113-S493 CarbonylContact C-O 3.53Å; C113-S493 VanDerWaalsContact CA-O 3.29Å; C113-S493 WeakPolarHBondContact CA-O 3.41Å | ||
| 114 | F | 95.7 | Very high | 95.4 | Very high | 66 Ų | 66 | 23.5 Ų | 23.5 | 29% | 0.289 | 14% | 0.137 | S | C | . | . | trans | -78.6 | 133.9 | 168.8 | 172 | -108.8 | 0 | 0 | 0 | 110.2 | D116 N120 S493 K502 | F114-D116 HydrophobicContact CE1-CB 3.86Å; F114-D116 HydrophobicContact CE2-CB 4.24Å; F114-D116 HydrophobicContact CZ-CB 3.49Å; F114-D116 VanDerWaalsContact CZ-CB 3.49Å; F114-N120 PolarHBondContact O-ND2 3.36Å; F114-S493 PolarHBondContact N-O 3.31Å; F114-K502 HydrophobicContact CD1-CB 4.22Å; F114-K502 HydrophobicContact CD2-CB 4.47Å; F114-K502 HydrophobicContact CE1-CB 3.9Å; F114-K502 HydrophobicContact CE2-CB 4.18Å; F114-K502 HydrophobicContact CG-CB 4.49Å; F114-K502 HydrophobicContact CZ-CB 3.88Å | ||
| 115 | F | 96.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 25 Ų | 25 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | trans | -130.8 | 124.7 | 177.5 | -68.9 | -71 | 0 | 0 | 0 | 110.1 | I108 C113 F123 T124 Y127 A200 | I108-F115 HydrophobicContact CG2-CE2 3.79Å; I108-F115 HydrophobicContact CG2-CZ 3.69Å; C113-F115 HydrophobicContact CB-CD2 4.5Å; C113-F115 HydrophobicContact CB-CE2 3.84Å; C113-F115 HydrophobicContact CB-CZ 3.96Å; F115-F123 AromaticContact CD1-CD1 3.94Å; F115-F123 HydrophobicContact CD1-CD1 3.94Å; F115-F123 HydrophobicContact CD1-CE1 4.04Å; F115-F123 AromaticContact CE1-CD1 3.57Å; F115-F123 HydrophobicContact CE1-CD1 3.57Å; F115-F123 AromaticContact CE1-CE1 3.35Å; F115-F123 HydrophobicContact CE1-CE1 3.35Å; F115-F123 HydrophobicContact CE1-CG 4.36Å; F115-F123 AromaticContact CE1-CZ 3.99Å; F115-F123 HydrophobicContact CE1-CZ 3.99Å; F115-F123 HydrophobicContact CZ-CD1 4.48Å; F115-F123 AromaticContact CZ-CE1 3.83Å; F115-F123 HydrophobicContact CZ-CE1 3.83Å; F115-F123 HydrophobicContact CZ-CZ 4.22Å; F115-T124 HydrophobicContact CB-CG2 4.32Å; F115-T124 HydrophobicContact CD1-CG2 4.49Å; F115-Y127 HydrophobicContact CD1-CD1 4.19Å; F115-Y127 HydrophobicContact CD1-CG 4.49Å; F115-Y127 HydrophobicContact CD2-CD1 4.38Å; F115-Y127 HydrophobicContact CD2-CE1 4.33Å; F115-Y127 AromaticContact CE1-CD1 3.79Å; F115-Y127 HydrophobicContact CE1-CD1 3.79Å; F115-Y127 HydrophobicContact CE1-CD2 4.38Å; F115-Y127 AromaticContact CE1-CG 3.71Å; F115-Y127 HydrophobicContact CE1-CG 3.71Å; F115-Y127 HydrophobicContact CE2-CD1 4.01Å; F115-Y127 AromaticContact CE2-CE1 3.91Å; F115-Y127 HydrophobicContact CE2-CE1 3.91Å; F115-Y127 HydrophobicContact CE2-CG 4.38Å; F115-Y127 HydrophobicContact CG-CD1 4.45Å; F115-Y127 AromaticContact CZ-CD1 3.68Å; F115-Y127 HydrophobicContact CZ-CD1 3.68Å; F115-Y127 AromaticContact CZ-CD2 3.93Å; F115-Y127 HydrophobicContact CZ-CD2 3.93Å; F115-Y127 HydrophobicContact CZ-CE1 4Å; F115-Y127 HydrophobicContact CZ-CE2 4.22Å; F115-Y127 AromaticContact CZ-CG 3.64Å; F115-Y127 HydrophobicContact CZ-CG 3.64Å; F115-A200 HydrophobicContact CB-CB 3.68Å; F115-A200 HydrophobicContact CD2-CB 4.29Å; F115-A200 HydrophobicContact CG-CB 3.96Å | ||
| 116 | D | 96.4 | Very high | 95.5 | Very high | 42 Ų | 42 | 26.2 Ų | 26.2 | 23% | 0.225 | 15% | 0.149 | C | C | . | . | trans | -151.5 | 111.5 | 172.5 | -171.8 | -25.9 | 0 | 0 | 0 | 110 | F114 S118 S119 N120 T124 | F114-D116 HydrophobicContact CE1-CB 3.86Å; F114-D116 HydrophobicContact CE2-CB 4.24Å; F114-D116 HydrophobicContact CZ-CB 3.49Å; F114-D116 VanDerWaalsContact CZ-CB 3.49Å; D116-S118 PolarHBondContact O-N 3.21Å; D116-S118 WeakPolarHBondContact OD1-CB 3.2Å; D116-S118 PolarHBondContact OD1-N 3.24Å; D116-S118 PolarHBondContact OD1-OG 2.92Å; D116-S119 CarbonylContact O-C 3.57Å; D116-S119 PolarHBondContact O-N 3.38Å; D116-N120 PolarHBondContact N-OD1 2.9Å; D116-N120 PolarHBondContact O-N 2.77Å; D116-N120 PolarHBondContact O-OD1 2.91Å; D116-T124 PolarHBondContact N-OG1 3.28Å; D116-T124 VanDerWaalsContact N-OG1 3.14Å | ||
| 117 | I | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.1 | -178.7 | -162.4 | 62.2 | 0 | 0 | 0 | 113.2 | F121 T124 K125 S203 L204 V207 W255 | I117-F121 HydrophobicContact CD1-CD2 3.76Å; I117-F121 HydrophobicContact CD1-CE2 4Å; I117-F121 HydrophobicContact CG1-CD2 4.04Å; I117-F121 HydrophobicContact CG1-CE2 4.31Å; I117-F121 WeakPolarHBondContact O-CD2 3.37Å; I117-T124 HydrophobicContact CB-CG2 4.16Å; I117-T124 HydrophobicContact CD1-CG2 4.06Å; I117-K125 HydrophobicContact CD1-CB 4.24Å; I117-S203 WeakPolarHBondContact CB-OG 3.38Å; I117-S203 WeakPolarHBondContact CG2-OG 3.45Å; I117-S203 PolarHBondContact N-OG 2.73Å; I117-L204 HydrophobicContact CB-CD2 4.29Å; I117-L204 HydrophobicContact CG1-CD2 4.05Å; I117-L204 HydrophobicContact CG2-CD2 4.13Å; I117-V207 HydrophobicContact CG2-CG2 4.04Å; I117-W255 HydrophobicContact CD1-CZ3 4.34Å |
| 118 | S | 93.4 | Very high | 95.8 | Very high | 33 Ų | 33 | 22.4 Ų | 22.4 | 23% | 0.231 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -14.9 | 178.4 | 67.7 | 0 | 0 | 0 | 0 | 113.7 | D116 | D116-S118 PolarHBondContact O-N 3.21Å; D116-S118 WeakPolarHBondContact OD1-CB 3.2Å; D116-S118 PolarHBondContact OD1-N 3.24Å; D116-S118 PolarHBondContact OD1-OG 2.92Å |
| 119 | S | 93.4 | Very high | 96 | Very high | 11 Ų | 11 | 23.3 Ų | 23.3 | 8% | 0.077 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -75.1 | -178.6 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | D116 F121 A508 N512 | D116-S119 CarbonylContact O-C 3.57Å; D116-S119 PolarHBondContact O-N 3.38Å; S119-F121 VanDerWaalsContact C-N 3.3Å; S119-F121 PolarHBondContact O-N 2.78Å; S119-A508 VanDerWaalsContact OG-CB 3.25Å; S119-A508 WeakPolarHBondContact OG-CB 3.49Å; S119-N512 PolarHBondContact O-ND2 3.41Å |
| 120 | N | 95.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -91.9 | 65.9 | 177.5 | 54.2 | 8.8 | 0 | 0 | 0 | 110.2 | F114 D116 D122 F123 T124 Q489 S493 L501 | F114-N120 PolarHBondContact O-ND2 3.36Å; D116-N120 PolarHBondContact N-OD1 2.9Å; D116-N120 PolarHBondContact O-N 2.77Å; D116-N120 PolarHBondContact O-OD1 2.91Å; N120-D122 PolarHBondContact O-N 3.21Å; N120-F123 HydrophobicContact CB-CB 4.22Å; N120-F123 PolarHBondContact O-N 3.13Å; N120-T124 WeakPolarHBondContact O-CB 3.47Å; N120-T124 PolarHBondContact O-N 3.18Å; N120-T124 PolarHBondContact O-OG1 3.29Å; N120-T124 VanDerWaalsContact O-OG1 3.12Å; N120-T124 PolarHBondContact OD1-OG1 2.93Å; N120-Q489 HydrophobicContact CB-CB 4.07Å; N120-Q489 HydrophobicContact CB-CG 3.99Å; N120-Q489 PolarHBondContact O-OE1 3.22Å; N120-S493 PolarHBondContact ND2-OG 2.79Å; N120-L501 HydrophobicContact CB-CD2 3.87Å |
| 121 | F | 96.4 | Very high | 96.4 | Very high | 6 Ų | 6 | 18 Ų | 18 | 3% | 0.026 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -53.8 | -55.1 | -171.8 | 175.7 | -94.2 | 0 | 0 | 0 | 112.5 | I117 S119 F123 T124 K125 A243 L247 | I117-F121 HydrophobicContact CD1-CD2 3.76Å; I117-F121 HydrophobicContact CD1-CE2 4Å; I117-F121 HydrophobicContact CG1-CD2 4.04Å; I117-F121 HydrophobicContact CG1-CE2 4.31Å; I117-F121 WeakPolarHBondContact O-CD2 3.37Å; S119-F121 VanDerWaalsContact C-N 3.3Å; S119-F121 PolarHBondContact O-N 2.78Å; F121-F123 VanDerWaalsContact C-N 3.35Å; F121-F123 PolarHBondContact O-N 3.21Å; F121-T124 PolarHBondContact O-N 2.92Å; F121-K125 HydrophobicContact CE1-CD 3.78Å; F121-K125 HydrophobicContact CZ-CD 3.86Å; F121-K125 WeakPolarHBondContact O-CB 3.41Å; F121-K125 PolarHBondContact O-N 2.75Å; F121-A243 HydrophobicContact CD1-CB 3.65Å; F121-A243 HydrophobicContact CD2-CB 3.9Å; F121-A243 HydrophobicContact CE1-CB 3.45Å; F121-A243 VanDerWaalsContact CE1-CB 3.45Å; F121-A243 HydrophobicContact CE2-CB 3.7Å; F121-A243 HydrophobicContact CG-CB 3.88Å; F121-A243 HydrophobicContact CZ-CB 3.47Å; F121-A243 VanDerWaalsContact CZ-CB 3.47Å; F121-L247 HydrophobicContact CE2-CD2 4.25Å |
| 122 | D | 96.7 | Very high | 96.6 | Very high | 11 Ų | 11 | 17.4 Ų | 17.4 | 6% | 0.059 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.7 | -40.7 | -175.8 | -59.8 | -67.8 | 0 | 0 | 0 | 111.9 | N120 N126 L486 Q489 Q515 | N120-D122 PolarHBondContact O-N 3.21Å; D122-N126 VanDerWaalsContact O-CB 3.23Å; D122-N126 WeakPolarHBondContact O-CB 3.3Å; D122-N126 PolarHBondContact O-N 3.46Å; D122-N126 PolarHBondContact O-ND2 3.02Å; D122-L486 HydrophobicContact CB-CB 4.41Å; D122-L486 HydrophobicContact CB-CD1 3.7Å; D122-L486 HydrophobicContact CB-CG 4.46Å; D122-Q489 PolarHBondContact OD2-NE2 2.63Å; D122-Q515 PolarHBondContact OD1-NE2 3.14Å; D122-Q515 VanDerWaalsContact OD2-CD 3.27Å; D122-Q515 PolarHBondContact OD2-NE2 3.49Å; D122-Q515 PolarHBondContact OD2-OE1 3.36Å |
| 123 | F | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.5 | -46.1 | -179.5 | -171.9 | -121.4 | 0 | 0 | 0 | 111.2 | L7 L11 C113 F115 N120 F121 Y127 L486 Q489 A490 | L7-F123 HydrophobicContact CB-CE2 4.01Å; L7-F123 HydrophobicContact CD1-CE2 4.46Å; L7-F123 HydrophobicContact CD1-CZ 4.14Å; L11-F123 HydrophobicContact CD1-CD2 3.58Å; L11-F123 HydrophobicContact CD1-CE2 3.45Å; L11-F123 VanDerWaalsContact CD1-CE2 3.45Å; L11-F123 HydrophobicContact CD1-CZ 4.5Å; C113-F123 HydrophobicContact CB-CE1 4Å; C113-F123 HydrophobicContact CB-CZ 4.36Å; F115-F123 AromaticContact CD1-CD1 3.94Å; F115-F123 HydrophobicContact CD1-CD1 3.94Å; F115-F123 HydrophobicContact CD1-CE1 4.04Å; F115-F123 AromaticContact CE1-CD1 3.57Å; F115-F123 HydrophobicContact CE1-CD1 3.57Å; F115-F123 AromaticContact CE1-CE1 3.35Å; F115-F123 HydrophobicContact CE1-CE1 3.35Å; F115-F123 HydrophobicContact CE1-CG 4.36Å; F115-F123 AromaticContact CE1-CZ 3.99Å; F115-F123 HydrophobicContact CE1-CZ 3.99Å; F115-F123 HydrophobicContact CZ-CD1 4.48Å; F115-F123 AromaticContact CZ-CE1 3.83Å; F115-F123 HydrophobicContact CZ-CE1 3.83Å; F115-F123 HydrophobicContact CZ-CZ 4.22Å; N120-F123 HydrophobicContact CB-CB 4.22Å; N120-F123 PolarHBondContact O-N 3.13Å; F121-F123 VanDerWaalsContact C-N 3.35Å; F121-F123 PolarHBondContact O-N 3.21Å; F123-Y127 WeakPolarHBondContact O-CB 3.47Å; F123-Y127 PolarHBondContact O-N 2.88Å; F123-L486 HydrophobicContact CB-CD1 3.97Å; F123-L486 HydrophobicContact CD2-CD1 4.29Å; F123-Q489 HydrophobicContact CB-CB 4.03Å; F123-A490 HydrophobicContact CD2-CB 4.11Å; F123-A490 HydrophobicContact CE2-CB 3.93Å; F123-A490 HydrophobicContact CZ-CB 4.44Å |
| 124 | T | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66 | -45 | 176.7 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | F115 D116 I117 N120 F121 Y127 L128 A200 | F115-T124 HydrophobicContact CB-CG2 4.32Å; F115-T124 HydrophobicContact CD1-CG2 4.49Å; D116-T124 PolarHBondContact N-OG1 3.28Å; D116-T124 VanDerWaalsContact N-OG1 3.14Å; I117-T124 HydrophobicContact CB-CG2 4.16Å; I117-T124 HydrophobicContact CD1-CG2 4.06Å; N120-T124 WeakPolarHBondContact O-CB 3.47Å; N120-T124 PolarHBondContact O-N 3.18Å; N120-T124 PolarHBondContact O-OG1 3.29Å; N120-T124 VanDerWaalsContact O-OG1 3.12Å; N120-T124 PolarHBondContact OD1-OG1 2.93Å; F121-T124 PolarHBondContact O-N 2.92Å; T124-Y127 PolarHBondContact O-N 3.34Å; T124-L128 HydrophobicContact CG2-CD1 4.05Å; T124-L128 HydrophobicContact CG2-CG 4.45Å; T124-L128 WeakPolarHBondContact O-CG 3.15Å; T124-L128 PolarHBondContact O-N 3.38Å; T124-A200 HydrophobicContact CG2-CB 4.2Å |
| 125 | K | 97.8 | Very high | 96.9 | Very high | 34 Ų | 34 | 10.1 Ų | 10.1 | 15% | 0.148 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58.3 | -53.2 | 176.3 | 173.8 | 176.5 | -173.5 | -55.2 | 0 | 111.2 | I117 F121 Y127 L128 D129 W255 | I117-K125 HydrophobicContact CD1-CB 4.24Å; F121-K125 HydrophobicContact CE1-CD 3.78Å; F121-K125 HydrophobicContact CZ-CD 3.86Å; F121-K125 WeakPolarHBondContact O-CB 3.41Å; F121-K125 PolarHBondContact O-N 2.75Å; K125-Y127 VanDerWaalsContact C-N 3.28Å; K125-Y127 PolarHBondContact O-N 3.26Å; K125-L128 PolarHBondContact O-N 3.47Å; K125-D129 WeakPolarHBondContact CG-OD2 3.15Å; K125-D129 IonicContact NZ-OD2 3.71Å; K125-D129 PolarHBondContact NZ-OD2 3.14Å; K125-D129 WeakPolarHBondContact O-CB 3.35Å; K125-D129 PolarHBondContact O-N 2.86Å; K125-W255 HydrophobicContact CB-CH2 4.13Å; K125-W255 HydrophobicContact CG-CH2 3.76Å; K125-W255 HydrophobicContact CG-CZ2 3.85Å |
| 126 | N | 98.3 | Very high | 96.9 | Very high | 25 Ų | 25 | 9.9 Ų | 9.9 | 13% | 0.134 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.6 | -36.4 | -178.6 | -85.9 | -85.1 | 0 | 0 | 0 | 112.1 | L11 N15 D122 L130 | L11-N126 HydrophobicContact CB-CB 4.08Å; L11-N126 HydrophobicContact CD1-CB 4.27Å; N15-N126 PolarHBondContact ND2-O 2.95Å; N15-N126 PolarHBondContact ND2-OD1 3.49Å; N15-N126 VanDerWaalsContact ND2-OD1 3.11Å; D122-N126 VanDerWaalsContact O-CB 3.23Å; D122-N126 WeakPolarHBondContact O-CB 3.3Å; D122-N126 PolarHBondContact O-N 3.46Å; D122-N126 PolarHBondContact O-ND2 3.02Å; N126-L130 WeakPolarHBondContact O-CB 3.36Å; N126-L130 PolarHBondContact O-N 3.22Å |
| 127 | Y | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.3 | -52.9 | 173.4 | 177.1 | -114.6 | 0 | 0 | 0 | 111.3 | L105 I108 F115 F123 T124 K125 D129 L130 L131 V197 A200 | L105-Y127 HydrophobicContact CD2-CD2 4.27Å; L105-Y127 HydrophobicContact CD2-CE2 3.55Å; I108-Y127 HydrophobicContact CD1-CD2 3.65Å; I108-Y127 HydrophobicContact CD1-CE2 3.84Å; I108-Y127 HydrophobicContact CG2-CE2 4.07Å; F115-Y127 HydrophobicContact CD1-CD1 4.19Å; F115-Y127 HydrophobicContact CD1-CG 4.49Å; F115-Y127 HydrophobicContact CD2-CD1 4.38Å; F115-Y127 HydrophobicContact CD2-CE1 4.33Å; F115-Y127 AromaticContact CE1-CD1 3.79Å; F115-Y127 HydrophobicContact CE1-CD1 3.79Å; F115-Y127 HydrophobicContact CE1-CD2 4.38Å; F115-Y127 AromaticContact CE1-CG 3.71Å; F115-Y127 HydrophobicContact CE1-CG 3.71Å; F115-Y127 HydrophobicContact CE2-CD1 4.01Å; F115-Y127 AromaticContact CE2-CE1 3.91Å; F115-Y127 HydrophobicContact CE2-CE1 3.91Å; F115-Y127 HydrophobicContact CE2-CG 4.38Å; F115-Y127 HydrophobicContact CG-CD1 4.45Å; F115-Y127 AromaticContact CZ-CD1 3.68Å; F115-Y127 HydrophobicContact CZ-CD1 3.68Å; F115-Y127 AromaticContact CZ-CD2 3.93Å; F115-Y127 HydrophobicContact CZ-CD2 3.93Å; F115-Y127 HydrophobicContact CZ-CE1 4Å; F115-Y127 HydrophobicContact CZ-CE2 4.22Å; F115-Y127 AromaticContact CZ-CG 3.64Å; F115-Y127 HydrophobicContact CZ-CG 3.64Å; F123-Y127 WeakPolarHBondContact O-CB 3.47Å; F123-Y127 PolarHBondContact O-N 2.88Å; T124-Y127 PolarHBondContact O-N 3.34Å; K125-Y127 VanDerWaalsContact C-N 3.28Å; K125-Y127 PolarHBondContact O-N 3.26Å; Y127-D129 PolarHBondContact O-N 2.89Å; Y127-L130 PolarHBondContact O-N 3.48Å; Y127-L131 HydrophobicContact CD1-CD1 4.22Å; Y127-L131 HydrophobicContact CE1-CD1 3.75Å; Y127-L131 HydrophobicContact CE2-CD1 4.38Å; Y127-L131 HydrophobicContact CE2-CD2 4.32Å; Y127-L131 HydrophobicContact CE2-CG 4.41Å; Y127-L131 WeakPolarHBondContact O-CG 3.32Å; Y127-L131 PolarHBondContact O-N 3.47Å; Y127-L131 VanDerWaalsContact O-N 3.1Å; Y127-V197 WeakPolarHBondContact OH-CG2 3.42Å; Y127-A200 HydrophobicContact CD1-CB 3.97Å; Y127-A200 HydrophobicContact CE1-CB 4.06Å |
| 128 | L | 98.4 | Very high | 97 | Very high | 3 Ų | 3 | 7.9 Ų | 7.9 | 2% | 0.016 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -63.8 | -37.7 | -179.8 | -68 | 177.2 | 0 | 0 | 0 | 113.1 | T124 K125 L130 L131 S132 A200 L201 L204 W255 | T124-L128 HydrophobicContact CG2-CD1 4.05Å; T124-L128 HydrophobicContact CG2-CG 4.45Å; T124-L128 WeakPolarHBondContact O-CG 3.15Å; T124-L128 PolarHBondContact O-N 3.38Å; K125-L128 PolarHBondContact O-N 3.47Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L128-L131 HydrophobicContact CD2-CD1 4.36Å; L128-L131 PolarHBondContact O-N 3.28Å; L128-S132 WeakPolarHBondContact O-CB 3.47Å; L128-S132 PolarHBondContact O-N 3.12Å; L128-A200 HydrophobicContact CD2-CB 3.77Å; L128-A200 HydrophobicContact CG-CB 4.2Å; L128-L201 HydrophobicContact CD2-CD2 3.69Å; L128-L201 HydrophobicContact CD2-CG 4.18Å; L128-L204 HydrophobicContact CD1-CD1 4.23Å; L128-W255 HydrophobicContact CB-CB 4.37Å; L128-W255 HydrophobicContact CB-CD2 3.67Å; L128-W255 HydrophobicContact CB-CE3 4.2Å; L128-W255 HydrophobicContact CB-CG 3.76Å; L128-W255 HydrophobicContact CB-CZ2 4.35Å; L128-W255 HydrophobicContact CD1-CB 4.45Å; L128-W255 HydrophobicContact CD1-CD2 3.94Å; L128-W255 HydrophobicContact CD1-CE3 3.63Å; L128-W255 HydrophobicContact CD1-CG 4.34Å; L128-W255 HydrophobicContact CD1-CZ3 4.1Å; L128-W255 HydrophobicContact CG-CD2 4.45Å |
| 129 | D | 98.1 | Very high | 97.1 | Very high | 18 Ų | 18 | 6.5 Ų | 6.5 | 10% | 0.096 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 173.3 | -81.4 | -28 | 0 | 0 | 0 | 111.5 | K125 Y127 L131 S132 T133 W255 | K125-D129 WeakPolarHBondContact CG-OD2 3.15Å; K125-D129 IonicContact NZ-OD2 3.71Å; K125-D129 PolarHBondContact NZ-OD2 3.14Å; K125-D129 WeakPolarHBondContact O-CB 3.35Å; K125-D129 PolarHBondContact O-N 2.86Å; Y127-D129 PolarHBondContact O-N 2.89Å; D129-L131 PolarHBondContact O-N 3.3Å; D129-S132 PolarHBondContact O-N 2.62Å; D129-T133 VanDerWaalsContact O-CB 3.26Å; D129-T133 WeakPolarHBondContact O-CB 3.43Å; D129-T133 PolarHBondContact O-N 2.85Å; D129-T133 PolarHBondContact O-OG1 2.89Å; D129-W255 VanDerWaalsContact OD1-CE2 3.3Å; D129-W255 WeakPolarHBondContact OD1-CZ2 3.39Å; D129-W255 PolarHBondContact OD1-NE1 3.01Å |
| 130 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -66.7 | -41.2 | -179.3 | -172.4 | 61.7 | 0 | 0 | 0 | 111.3 | L11 L14 N15 F97 V101 L104 N126 Y127 L128 T133 Y134 | L11-L130 HydrophobicContact CD2-CB 4.45Å; L11-L130 HydrophobicContact CD2-CD2 3.82Å; L14-L130 HydrophobicContact CB-CD1 3.79Å; L14-L130 HydrophobicContact CB-CD2 4.26Å; L14-L130 HydrophobicContact CD1-CD2 4.37Å; N15-L130 WeakPolarHBondContact OD1-CA 3.34Å; N15-L130 WeakPolarHBondContact OD1-CB 3.46Å; N15-L130 PolarHBondContact OD1-N 3Å; F97-L130 HydrophobicContact CE2-CD1 4.06Å; F97-L130 HydrophobicContact CZ-CD1 4.04Å; V101-L130 HydrophobicContact CG1-CD2 4.31Å; V101-L130 HydrophobicContact CG1-CG 4.25Å; V101-L130 HydrophobicContact CG2-CD1 3.82Å; V101-L130 HydrophobicContact CG2-CD2 4.24Å; V101-L130 HydrophobicContact CG2-CG 4.15Å; L104-L130 HydrophobicContact CD2-CD2 3.82Å; N126-L130 WeakPolarHBondContact O-CB 3.36Å; N126-L130 PolarHBondContact O-N 3.22Å; Y127-L130 PolarHBondContact O-N 3.48Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L130-T133 PolarHBondContact O-N 3.41Å; L130-Y134 VanDerWaalsContact O-CB 3.23Å; L130-Y134 WeakPolarHBondContact O-CB 3.33Å; L130-Y134 PolarHBondContact O-N 3.48Å |
| 131 | L | 97.3 | Very high | 97.1 | Very high | 4 Ų | 4 | 6.1 Ų | 6.1 | 2% | 0.021 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -59.6 | -49.6 | 175.6 | -65.5 | -174.8 | 0 | 0 | 0 | 111.9 | L105 Y127 L128 D129 Y134 A135 F190 V197 | L105-L131 HydrophobicContact CD1-CD2 3.93Å; L105-L131 HydrophobicContact CD2-CD2 3.53Å; L105-L131 HydrophobicContact CG-CD2 4.39Å; Y127-L131 HydrophobicContact CD1-CD1 4.22Å; Y127-L131 HydrophobicContact CE1-CD1 3.75Å; Y127-L131 HydrophobicContact CE2-CD1 4.38Å; Y127-L131 HydrophobicContact CE2-CD2 4.32Å; Y127-L131 HydrophobicContact CE2-CG 4.41Å; Y127-L131 WeakPolarHBondContact O-CG 3.32Å; Y127-L131 PolarHBondContact O-N 3.47Å; Y127-L131 VanDerWaalsContact O-N 3.1Å; L128-L131 HydrophobicContact CD2-CD1 4.36Å; L128-L131 PolarHBondContact O-N 3.28Å; D129-L131 PolarHBondContact O-N 3.3Å; L131-Y134 PolarHBondContact O-N 3.28Å; L131-A135 PolarHBondContact O-N 3.31Å; L131-F190 HydrophobicContact CD2-CE1 3.42Å; L131-F190 VanDerWaalsContact CD2-CE1 3.42Å; L131-F190 HydrophobicContact CD2-CZ 3.75Å; L131-V197 HydrophobicContact CD1-CB 4.44Å; L131-V197 HydrophobicContact CD1-CG1 4.1Å; L131-V197 HydrophobicContact CD1-CG2 3.73Å |
| 132 | S | 97 | Very high | 97 | Very high | 2 Ų | 2 | 7.4 Ų | 7.4 | 1% | 0.014 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 179.4 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | L128 D129 S136 R254 | L128-S132 WeakPolarHBondContact O-CB 3.47Å; L128-S132 PolarHBondContact O-N 3.12Å; D129-S132 PolarHBondContact O-N 2.62Å; S132-S136 VanDerWaalsContact O-CB 3.28Å; S132-S136 WeakPolarHBondContact O-CB 3.17Å; S132-S136 PolarHBondContact O-N 3.33Å; S132-S136 PolarHBondContact O-OG 3.44Å; S132-R254 WeakPolarHBondContact OG-CD 3.5Å; S132-R254 WeakPolarHBondContact OG-CG 3.5Å; S132-R254 PolarHBondContact OG-NE 3.35Å; S132-R254 VanDerWaalsContact OG-NE 3.1Å |
| 133 | T | 97.4 | Very high | 96.9 | Very high | 16 Ų | 16 | 10 Ų | 10 | 10% | 0.098 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -66.2 | -45.3 | 178.8 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | G18 F97 D129 L130 A135 S136 V137 | G18-T133 VanDerWaalsContact C-CG2 3.43Å; F97-T133 HydrophobicContact CZ-CG2 4.35Å; D129-T133 VanDerWaalsContact O-CB 3.26Å; D129-T133 WeakPolarHBondContact O-CB 3.43Å; D129-T133 PolarHBondContact O-N 2.85Å; D129-T133 PolarHBondContact O-OG1 2.89Å; L130-T133 PolarHBondContact O-N 3.41Å; T133-A135 PolarHBondContact O-N 3.07Å; T133-S136 PolarHBondContact O-N 3.36Å; T133-S136 VanDerWaalsContact O-N 3.17Å; T133-V137 HydrophobicContact CG2-CG2 4.42Å; T133-V137 WeakPolarHBondContact O-CG2 3.32Å; T133-V137 PolarHBondContact O-N 3.27Å |
| 134 | Y | 97.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 0% | 0.004 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -58.5 | -50.4 | 176.8 | 175.2 | -130.1 | 0 | 0 | 0 | 112.1 | F97 R98 V101 L130 L131 S136 V137 I138 Y179 L186 E189 F190 | F97-Y134 HydrophobicContact CE1-CD2 4.27Å; R98-Y134 HydrophobicContact CB-CE2 3.74Å; R98-Y134 HydrophobicContact CG-CE2 3.43Å; R98-Y134 VanDerWaalsContact CG-CE2 3.43Å; R98-Y134 WeakPolarHBondContact CG-OH 3.38Å; V101-Y134 HydrophobicContact CG1-CD1 4.06Å; V101-Y134 HydrophobicContact CG1-CD2 4.37Å; V101-Y134 HydrophobicContact CG1-CG 3.91Å; L130-Y134 VanDerWaalsContact O-CB 3.23Å; L130-Y134 WeakPolarHBondContact O-CB 3.33Å; L130-Y134 PolarHBondContact O-N 3.48Å; L131-Y134 PolarHBondContact O-N 3.28Å; Y134-S136 VanDerWaalsContact C-N 3.3Å; Y134-S136 PolarHBondContact O-N 2.54Å; Y134-V137 PolarHBondContact O-N 3.25Å; Y134-I138 HydrophobicContact CD2-CG1 4.11Å; Y134-I138 HydrophobicContact CE2-CD1 4.03Å; Y134-I138 HydrophobicContact CE2-CG1 3.67Å; Y134-I138 WeakPolarHBondContact O-CG1 3.48Å; Y134-I138 PolarHBondContact O-N 2.78Å; Y134-I138 VanDerWaalsContact O-N 3.15Å; Y134-Y179 PolarHBondContact OH-OH 3.47Å; Y134-L186 HydrophobicContact CD1-CD2 4.5Å; Y134-L186 HydrophobicContact CE1-CD2 3.96Å; Y134-E189 PolarHBondContact OH-OE2 3.24Å; Y134-F190 AromaticContact CD1-CE2 3.66Å; Y134-F190 HydrophobicContact CD1-CE2 3.66Å; Y134-F190 AromaticContact CD1-CZ 3.74Å; Y134-F190 HydrophobicContact CD1-CZ 3.74Å; Y134-F190 AromaticContact CE1-CE2 3.6Å; Y134-F190 HydrophobicContact CE1-CE2 3.6Å; Y134-F190 HydrophobicContact CE1-CZ 4.04Å |
| 135 | A | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L131 T133 V137 I138 I139 L186 I258 L262 | L131-A135 PolarHBondContact O-N 3.31Å; T133-A135 PolarHBondContact O-N 3.07Å; A135-V137 PolarHBondContact O-N 2.97Å; A135-I138 PolarHBondContact O-N 3.29Å; A135-I139 HydrophobicContact CB-CD1 4.45Å; A135-I139 WeakPolarHBondContact O-CB 3.36Å; A135-I139 VanDerWaalsContact O-CD1 3.25Å; A135-I139 WeakPolarHBondContact O-CD1 3.48Å; A135-I139 WeakPolarHBondContact O-CG1 3.16Å; A135-I139 PolarHBondContact O-N 2.99Å; A135-L186 HydrophobicContact CB-CD1 4.35Å; A135-I258 HydrophobicContact CB-CG2 3.61Å; A135-L262 HydrophobicContact CB-CD1 4.27Å; A135-L262 HydrophobicContact CB-CD2 4.37Å |
| 136 | S | 97.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.007 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 179.9 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | S132 T133 Y134 I139 L140 | S132-S136 VanDerWaalsContact O-CB 3.28Å; S132-S136 WeakPolarHBondContact O-CB 3.17Å; S132-S136 PolarHBondContact O-N 3.33Å; S132-S136 PolarHBondContact O-OG 3.44Å; T133-S136 PolarHBondContact O-N 3.36Å; T133-S136 VanDerWaalsContact O-N 3.17Å; Y134-S136 VanDerWaalsContact C-N 3.3Å; Y134-S136 PolarHBondContact O-N 2.54Å; S136-I139 PolarHBondContact O-N 3.21Å; S136-L140 WeakPolarHBondContact O-CB 3.37Å; S136-L140 PolarHBondContact O-N 3.02Å |
| 137 | V | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 175.9 | 167.8 | 0 | 0 | 0 | 0 | 110.4 | V21 L22 V94 F97 T133 Y134 A135 L140 L141 | V21-V137 HydrophobicContact CG1-CG1 3.86Å; V21-V137 HydrophobicContact CG1-CG2 4.23Å; L22-V137 HydrophobicContact CB-CG2 3.75Å; L22-V137 HydrophobicContact CD1-CG2 4Å; L22-V137 HydrophobicContact CG-CG2 4.43Å; V94-V137 HydrophobicContact CG1-CG1 3.76Å; V94-V137 HydrophobicContact CG2-CG1 4.26Å; F97-V137 HydrophobicContact CD1-CG1 4.4Å; F97-V137 HydrophobicContact CD1-CG2 4.46Å; F97-V137 HydrophobicContact CE1-CB 4.38Å; F97-V137 HydrophobicContact CE1-CG2 4.03Å; T133-V137 HydrophobicContact CG2-CG2 4.42Å; T133-V137 WeakPolarHBondContact O-CG2 3.32Å; T133-V137 PolarHBondContact O-N 3.27Å; Y134-V137 PolarHBondContact O-N 3.25Å; A135-V137 PolarHBondContact O-N 2.97Å; V137-L140 PolarHBondContact O-N 3.02Å; V137-L141 WeakPolarHBondContact O-CB 3.49Å; V137-L141 PolarHBondContact O-N 3.18Å |
| 138 | I | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | -179.5 | -64.1 | -58.9 | 0 | 0 | 0 | 111.7 | V94 Y134 A135 L140 L141 S142 Y179 P182 L186 | V94-I138 HydrophobicContact CG1-CD1 4.41Å; Y134-I138 HydrophobicContact CD2-CG1 4.11Å; Y134-I138 HydrophobicContact CE2-CD1 4.03Å; Y134-I138 HydrophobicContact CE2-CG1 3.67Å; Y134-I138 WeakPolarHBondContact O-CG1 3.48Å; Y134-I138 PolarHBondContact O-N 2.78Å; Y134-I138 VanDerWaalsContact O-N 3.15Å; A135-I138 PolarHBondContact O-N 3.29Å; I138-L140 VanDerWaalsContact C-N 3.34Å; I138-L140 PolarHBondContact O-N 3.19Å; I138-L141 PolarHBondContact O-N 3.01Å; I138-S142 PolarHBondContact O-N 2.87Å; I138-Y179 HydrophobicContact CD1-CE1 4.41Å; I138-Y179 HydrophobicContact CD1-CE2 4.31Å; I138-Y179 HydrophobicContact CG1-CE1 4.42Å; I138-Y179 HydrophobicContact CG2-CD1 3.33Å; I138-Y179 HydrophobicContact CG2-CE1 3.71Å; I138-Y179 HydrophobicContact CG2-CG 3.89Å; I138-P182 HydrophobicContact CG2-CB 3.94Å; I138-L186 HydrophobicContact CB-CD1 4.27Å; I138-L186 HydrophobicContact CB-CD2 4.36Å; I138-L186 HydrophobicContact CG1-CD2 4.31Å; I138-L186 HydrophobicContact CG2-CD1 4Å; I138-L186 HydrophobicContact CG2-CD2 4.27Å; I138-L186 HydrophobicContact CG2-CG 4.14Å |
| 139 | I | 95.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 175.9 | -66.5 | 157.8 | 0 | 0 | 0 | 110.1 | A135 S136 S142 R143 W183 L186 L289 L295 | A135-I139 HydrophobicContact CB-CD1 4.45Å; A135-I139 WeakPolarHBondContact O-CB 3.36Å; A135-I139 VanDerWaalsContact O-CD1 3.25Å; A135-I139 WeakPolarHBondContact O-CD1 3.48Å; A135-I139 WeakPolarHBondContact O-CG1 3.16Å; A135-I139 PolarHBondContact O-N 2.99Å; S136-I139 PolarHBondContact O-N 3.21Å; I139-S142 WeakPolarHBondContact O-CB 3.46Å; I139-S142 PolarHBondContact O-N 3.3Å; I139-S142 PolarHBondContact O-OG 3.19Å; I139-R143 WeakPolarHBondContact O-CG 3.28Å; I139-R143 PolarHBondContact O-N 3.22Å; I139-W183 HydrophobicContact CD1-CD2 4.49Å; I139-W183 HydrophobicContact CD1-CH2 3.58Å; I139-W183 HydrophobicContact CD1-CZ2 3.19Å; I139-W183 HydrophobicContact CD1-CZ3 4.36Å; I139-W183 HydrophobicContact CG1-CZ2 4.07Å; I139-L186 HydrophobicContact CG1-CD1 4.47Å; I139-L289 HydrophobicContact CD1-CD2 4.47Å; I139-L289 HydrophobicContact CG2-CD1 3.78Å; I139-L295 HydrophobicContact CG2-CD1 4.49Å |
| 140 | L | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.8 | -41.6 | -179.6 | -174.1 | 59.2 | 0 | 0 | 0 | 111.9 | L22 M25 N26 K29 S136 V137 I138 S142 R143 T290 E293 | L22-L140 HydrophobicContact CD1-CB 4.15Å; L22-L140 HydrophobicContact CD1-CD2 3.6Å; L22-L140 HydrophobicContact CG-CD2 4.43Å; L22-L140 VanDerWaalsContact O-CD2 3.31Å; L22-L140 WeakPolarHBondContact O-CD2 3.44Å; M25-L140 HydrophobicContact CB-CD2 3.79Å; M25-L140 HydrophobicContact CB-CG 4.07Å; N26-L140 HydrophobicContact CB-CD2 3.85Å; K29-L140 HydrophobicContact CD-CD1 3.67Å; S136-L140 WeakPolarHBondContact O-CB 3.37Å; S136-L140 PolarHBondContact O-N 3.02Å; V137-L140 PolarHBondContact O-N 3.02Å; I138-L140 VanDerWaalsContact C-N 3.34Å; I138-L140 PolarHBondContact O-N 3.19Å; L140-S142 VanDerWaalsContact C-N 3.27Å; L140-S142 PolarHBondContact O-N 3.02Å; L140-R143 WeakPolarHBondContact O-CB 3.22Å; L140-R143 PolarHBondContact O-N 3.36Å; L140-T290 HydrophobicContact CD2-CG2 3.67Å; L140-E293 HydrophobicContact CD1-CB 4.4Å; L140-E293 HydrophobicContact CD1-CG 3.93Å |
| 141 | L | 95.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -54.5 | -44.9 | 171.8 | 176.3 | 67.8 | 0 | 0 | 0 | 111 | M25 F91 V94 V137 I138 R143 I144 K147 M175 F176 | M25-L141 HydrophobicContact SD-CD1 4.21Å; F91-L141 HydrophobicContact CD1-CD1 3.58Å; F91-L141 HydrophobicContact CE1-CD1 3.58Å; V94-L141 HydrophobicContact CG1-CD2 4.08Å; V137-L141 WeakPolarHBondContact O-CB 3.49Å; V137-L141 PolarHBondContact O-N 3.18Å; I138-L141 PolarHBondContact O-N 3.01Å; L141-R143 PolarHBondContact O-N 2.75Å; L141-I144 PolarHBondContact O-N 2.87Å; L141-I144 VanDerWaalsContact O-N 3.11Å; L141-K147 HydrophobicContact CD1-CD 4.17Å; L141-K147 HydrophobicContact CG-CD 4.33Å; L141-K147 WeakPolarHBondContact O-CD 3.45Å; L141-K147 PolarHBondContact O-NZ 3.3Å; L141-M175 HydrophobicContact CD2-CE 3.78Å; L141-F176 HydrophobicContact CD1-CE1 3.85Å; L141-F176 HydrophobicContact CD1-CZ 4.16Å; L141-F176 HydrophobicContact CD2-CD1 4.16Å; L141-F176 HydrophobicContact CD2-CE1 3.86Å; L141-F176 HydrophobicContact CG-CE1 4.28Å |
| 142 | S | 93.3 | Very high | 94.8 | Very high | 32 Ų | 32 | 15.8 Ų | 15.8 | 22% | 0.224 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.6 | -31.6 | 179.2 | 80.6 | 0 | 0 | 0 | 0 | 112.6 | I138 I139 L140 I144 K147 | I138-S142 PolarHBondContact O-N 2.87Å; I139-S142 WeakPolarHBondContact O-CB 3.46Å; I139-S142 PolarHBondContact O-N 3.3Å; I139-S142 PolarHBondContact O-OG 3.19Å; L140-S142 VanDerWaalsContact C-N 3.27Å; L140-S142 PolarHBondContact O-N 3.02Å; S142-I144 VanDerWaalsContact C-N 3.29Å; S142-I144 PolarHBondContact O-N 3.09Å; S142-K147 PolarHBondContact O-NZ 3.25Å |
| 143 | R | 93.9 | Very high | 94.6 | Very high | 67 Ų | 67 | 15.7 Ų | 15.7 | 25% | 0.253 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 0.8 | -180 | -63.7 | 176.2 | -179.9 | -164.4 | 1.9 | 114.6 | K29 I139 L140 L141 D145 E293 V294 | K29-R143 HydrophobicContact CD-CB 4.08Å; I139-R143 WeakPolarHBondContact O-CG 3.28Å; I139-R143 PolarHBondContact O-N 3.22Å; L140-R143 WeakPolarHBondContact O-CB 3.22Å; L140-R143 PolarHBondContact O-N 3.36Å; L141-R143 PolarHBondContact O-N 2.75Å; R143-D145 PolarHBondContact O-N 2.67Å; R143-E293 IonicContact NH1-OE2 2.73Å; R143-E293 PolarHBondContact NH1-OE2 3.5Å; R143-V294 PolarHBondContact NH1-O 3.19Å; R143-V294 PolarHBondContact NH2-O 2.94Å |
| 144 | I | 94.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | trans | -88.2 | 102.4 | 171.4 | -56.9 | 173.8 | 0 | 0 | 0 | 107.8 | M25 I28 K29 F91 L141 S142 D146 K147 | M25-I144 HydrophobicContact CB-CD1 4.5Å; M25-I144 HydrophobicContact SD-CD1 4.04Å; I28-I144 HydrophobicContact CB-CD1 4.35Å; I28-I144 HydrophobicContact CG2-CD1 4.13Å; I28-I144 HydrophobicContact CG2-CG2 4.34Å; K29-I144 HydrophobicContact CB-CG1 3.89Å; K29-I144 HydrophobicContact CG-CG1 4.31Å; F91-I144 HydrophobicContact CE1-CD1 3.93Å; F91-I144 HydrophobicContact CZ-CD1 4.37Å; F91-I144 HydrophobicContact CZ-CG2 4.46Å; L141-I144 PolarHBondContact O-N 2.87Å; L141-I144 VanDerWaalsContact O-N 3.11Å; S142-I144 VanDerWaalsContact C-N 3.29Å; S142-I144 PolarHBondContact O-N 3.09Å; I144-D146 VanDerWaalsContact C-N 3.34Å; I144-D146 PolarHBondContact O-N 3.5Å; I144-K147 HydrophobicContact CB-CB 4.17Å; I144-K147 HydrophobicContact CG2-CB 3.95Å; I144-K147 WeakPolarHBondContact O-CD 3.36Å; I144-K147 VanDerWaalsContact O-CG 3.26Å; I144-K147 WeakPolarHBondContact O-CG 3.48Å; I144-K147 PolarHBondContact O-N 2.81Å; I144-K147 PolarHBondContact O-NZ 3.41Å | ||
| 145 | D | 91.3 | Very high | 94.3 | Very high | 123 Ų | 123 | 15.8 Ų | 15.8 | 66% | 0.658 | 8% | 0.078 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -40.7 | -176.1 | -65.5 | -37.9 | 0 | 0 | 0 | 111.9 | R143 K147 | R143-D145 PolarHBondContact O-N 2.67Å; D145-K147 VanDerWaalsContact C-N 3.34Å; D145-K147 PolarHBondContact O-N 2.82Å |
| 146 | D | 91.9 | Very high | 94.1 | Very high | 19 Ų | 19 | 15.8 Ų | 15.8 | 10% | 0.102 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 3.6 | -174.7 | -60 | -69.3 | 0 | 0 | 0 | 114.8 | R38 L42 I144 K148 V149 L150 | R38-D146 IonicContact CZ-OD1 3.83Å; R38-D146 IonicContact CZ-OD2 3.29Å; R38-D146 IonicContact NH1-OD1 3.75Å; R38-D146 IonicContact NH1-OD2 3.74Å; R38-D146 PolarHBondContact NH1-OD2 3.23Å; R38-D146 IonicContact NH2-OD1 3.84Å; R38-D146 PolarHBondContact NH2-OD1 3.03Å; R38-D146 IonicContact NH2-OD2 2.64Å; R38-D146 PolarHBondContact NH2-OD2 2.83Å; L42-D146 HydrophobicContact CD1-CB 4.13Å; I144-D146 VanDerWaalsContact C-N 3.34Å; I144-D146 PolarHBondContact O-N 3.5Å; D146-K148 VanDerWaalsContact C-N 3.28Å; D146-K148 PolarHBondContact O-N 3.13Å; D146-V149 WeakPolarHBondContact O-CA 3.39Å; D146-V149 WeakPolarHBondContact O-CB 3.49Å; D146-V149 PolarHBondContact O-N 3.13Å; D146-L150 HydrophobicContact CB-CG 4.5Å; D146-L150 WeakPolarHBondContact O-CG 3.25Å; D146-L150 PolarHBondContact O-N 2.9Å |
| 147 | K | 93.4 | Very high | 93.8 | Very high | 17 Ų | 17 | 15.8 Ų | 15.8 | 7% | 0.074 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -54.9 | -40.9 | -175.2 | 67 | -174.6 | 164.9 | -77.6 | 0 | 113.3 | F91 L141 S142 I144 D145 V149 V151 F176 | F91-K147 HydrophobicContact CE1-CB 4.24Å; F91-K147 HydrophobicContact CE2-CB 4.46Å; F91-K147 HydrophobicContact CZ-CB 3.89Å; L141-K147 HydrophobicContact CD1-CD 4.17Å; L141-K147 HydrophobicContact CG-CD 4.33Å; L141-K147 WeakPolarHBondContact O-CD 3.45Å; L141-K147 PolarHBondContact O-NZ 3.3Å; S142-K147 PolarHBondContact O-NZ 3.25Å; I144-K147 HydrophobicContact CB-CB 4.17Å; I144-K147 HydrophobicContact CG2-CB 3.95Å; I144-K147 WeakPolarHBondContact O-CD 3.36Å; I144-K147 VanDerWaalsContact O-CG 3.26Å; I144-K147 WeakPolarHBondContact O-CG 3.48Å; I144-K147 PolarHBondContact O-N 2.81Å; I144-K147 PolarHBondContact O-NZ 3.41Å; D145-K147 VanDerWaalsContact C-N 3.34Å; D145-K147 PolarHBondContact O-N 2.82Å; K147-V149 VanDerWaalsContact C-N 3.32Å; K147-V149 PolarHBondContact O-N 2.79Å; K147-V151 WeakPolarHBondContact O-CG2 3.49Å; K147-V151 PolarHBondContact O-N 3.15Å; K147-F176 HydrophobicContact CB-CD2 4.42Å; K147-F176 HydrophobicContact CB-CE2 3.78Å; K147-F176 HydrophobicContact CB-CZ 4.13Å; K147-F176 HydrophobicContact CD-CD2 4.19Å; K147-F176 HydrophobicContact CD-CE2 4.19Å; K147-F176 HydrophobicContact CD-CG 4.37Å; K147-F176 HydrophobicContact CD-CZ 4.36Å; K147-F176 HydrophobicContact CG-CD2 3.97Å; K147-F176 HydrophobicContact CG-CE2 3.85Å; K147-F176 HydrophobicContact CG-CZ 4.4Å |
| 148 | K | 94.3 | Very high | 93.7 | Very high | 43 Ų | 43 | 17.3 Ų | 17.3 | 19% | 0.187 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 178.4 | -66 | -179.3 | -177.1 | 171.9 | 0 | 111 | F58 D146 G152 F176 D180 | F58-K148 HydrophobicContact CB-CB 4.19Å; F58-K148 HydrophobicContact CB-CD 4.39Å; F58-K148 HydrophobicContact CD1-CB 4.06Å; F58-K148 HydrophobicContact CD1-CD 3.94Å; F58-K148 HydrophobicContact CD1-CG 3.73Å; F58-K148 HydrophobicContact CD2-CB 3.89Å; F58-K148 HydrophobicContact CD2-CG 4.45Å; F58-K148 VanDerWaalsContact CD2-O 3.25Å; F58-K148 WeakPolarHBondContact CD2-O 3.39Å; F58-K148 HydrophobicContact CE1-CB 4.43Å; F58-K148 HydrophobicContact CE1-CG 3.99Å; F58-K148 HydrophobicContact CE2-CB 4.26Å; F58-K148 WeakPolarHBondContact CE2-O 3.44Å; F58-K148 HydrophobicContact CG-CB 3.76Å; F58-K148 HydrophobicContact CG-CD 4.26Å; F58-K148 HydrophobicContact CG-CG 3.97Å; F58-K148 HydrophobicContact CZ-CG 4.44Å; D146-K148 VanDerWaalsContact C-N 3.28Å; D146-K148 PolarHBondContact O-N 3.13Å; K148-G152 PolarHBondContact O-N 3.11Å; K148-F176 HydrophobicContact CG-CD2 4.43Å; K148-D180 IonicContact NZ-OD1 3.97Å; K148-D180 PolarHBondContact NZ-OD1 3.46Å |
| 149 | V | 93.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -71.7 | -47.8 | 179.7 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | L42 V51 N55 D146 K147 V151 G152 M153 | L42-V149 HydrophobicContact CD2-CB 4.43Å; L42-V149 HydrophobicContact CD2-CG1 3.59Å; V51-V149 HydrophobicContact CB-CG1 4.23Å; V51-V149 HydrophobicContact CG1-CG1 3.87Å; V51-V149 HydrophobicContact CG1-CG2 3.98Å; V51-V149 HydrophobicContact CG2-CG1 3.91Å; N55-V149 HydrophobicContact CB-CG2 3.83Å; D146-V149 WeakPolarHBondContact O-CA 3.39Å; D146-V149 WeakPolarHBondContact O-CB 3.49Å; D146-V149 PolarHBondContact O-N 3.13Å; K147-V149 VanDerWaalsContact C-N 3.32Å; K147-V149 PolarHBondContact O-N 2.79Å; V149-V151 PolarHBondContact O-N 2.85Å; V149-G152 PolarHBondContact O-N 3.5Å; V149-M153 HydrophobicContact CG1-CG 4.05Å; V149-M153 HydrophobicContact CG1-SD 3.67Å; V149-M153 VanDerWaalsContact O-CB 3.29Å; V149-M153 WeakPolarHBondContact O-CB 3.42Å; V149-M153 WeakPolarHBondContact O-CG 3.49Å; V149-M153 PolarHBondContact O-N 2.71Å |
| 150 | L | 94.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.3 | -50 | -179.8 | -70 | 170.8 | 0 | 0 | 0 | 111.8 | I28 F41 L42 F87 F91 D146 F154 | I28-L150 HydrophobicContact CG2-CD1 4.35Å; F41-L150 HydrophobicContact CE2-CD2 3.92Å; F41-L150 HydrophobicContact CZ-CD2 3.82Å; L42-L150 HydrophobicContact CD1-CD2 4.14Å; F87-L150 HydrophobicContact CB-CB 4.49Å; F87-L150 HydrophobicContact CB-CD1 4.31Å; F87-L150 HydrophobicContact CD1-CD1 4.26Å; F87-L150 HydrophobicContact CD2-CD2 4.09Å; F87-L150 HydrophobicContact CE2-CD2 4.5Å; F87-L150 HydrophobicContact CG-CD1 4.22Å; F87-L150 HydrophobicContact CG-CD2 4.31Å; F91-L150 HydrophobicContact CE2-CB 4.19Å; F91-L150 HydrophobicContact CE2-CD1 4.08Å; F91-L150 HydrophobicContact CZ-CD1 4.25Å; D146-L150 HydrophobicContact CB-CG 4.5Å; D146-L150 WeakPolarHBondContact O-CG 3.25Å; D146-L150 PolarHBondContact O-N 2.9Å; L150-F154 PolarHBondContact O-N 3.13Å; L150-F154 VanDerWaalsContact O-N 3.17Å |
| 151 | V | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.3 | -41.7 | 179.3 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | F58 Y88 F91 K147 V149 F154 N155 Y169 L172 F176 | F58-V151 HydrophobicContact CE2-CB 4.36Å; F58-V151 HydrophobicContact CE2-CG1 4.2Å; F58-V151 HydrophobicContact CZ-CG1 4.41Å; Y88-V151 HydrophobicContact CD2-CB 4.42Å; Y88-V151 HydrophobicContact CD2-CG1 4.02Å; Y88-V151 HydrophobicContact CD2-CG2 4.29Å; Y88-V151 HydrophobicContact CE2-CG1 3.91Å; F91-V151 HydrophobicContact CB-CG2 4.42Å; F91-V151 HydrophobicContact CD2-CG2 3.41Å; F91-V151 VanDerWaalsContact CD2-CG2 3.41Å; F91-V151 HydrophobicContact CE2-CG2 3.97Å; F91-V151 HydrophobicContact CG-CG2 4.19Å; K147-V151 WeakPolarHBondContact O-CG2 3.49Å; K147-V151 PolarHBondContact O-N 3.15Å; V149-V151 PolarHBondContact O-N 2.85Å; V151-F154 PolarHBondContact O-N 3.19Å; V151-N155 PolarHBondContact O-N 2.7Å; V151-Y169 HydrophobicContact CG1-CD2 3.72Å; V151-Y169 HydrophobicContact CG1-CE2 3.79Å; V151-L172 HydrophobicContact CB-CD2 4.33Å; V151-L172 HydrophobicContact CG1-CD2 3.53Å; V151-L172 HydrophobicContact CG1-CG 4Å; V151-L172 HydrophobicContact CG2-CD2 3.76Å; V151-L172 HydrophobicContact CG2-CG 4.42Å; V151-F176 HydrophobicContact CB-CE2 4.28Å; V151-F176 HydrophobicContact CG2-CE2 3.74Å; V151-F176 HydrophobicContact CG2-CZ 4.05Å |
| 152 | G | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | K148 V149 N155 C156 | K148-G152 PolarHBondContact O-N 3.11Å; V149-G152 PolarHBondContact O-N 3.5Å; G152-N155 PolarHBondContact O-N 3.34Å; G152-C156 WeakPolarHBondContact O-CB 3.45Å; G152-C156 PolarHBondContact O-N 3.43Å; G152-C156 PolarHBondContact O-SG 3.01Å |
| 153 | M | 92 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.9 | -42.4 | 176.8 | -74.5 | -176.4 | 86.1 | 0 | 0 | 111.9 | F41 L42 M47 V51 I54 I73 V80 T84 V149 C156 A157 | F41-M153 HydrophobicContact CB-CE 4.43Å; F41-M153 HydrophobicContact CD2-CE 3.8Å; F41-M153 HydrophobicContact CD2-SD 3.7Å; F41-M153 HydrophobicContact CE2-SD 3.96Å; F41-M153 HydrophobicContact CG-CE 4.44Å; L42-M153 HydrophobicContact CD2-SD 4.36Å; M47-M153 HydrophobicContact SD-CE 4.33Å; V51-M153 HydrophobicContact CG2-SD 4.18Å; I54-M153 HydrophobicContact CD1-CB 4.35Å; I54-M153 HydrophobicContact CD1-CG 3.46Å; I54-M153 VanDerWaalsContact CD1-CG 3.46Å; I73-M153 HydrophobicContact CD1-CE 3.94Å; I73-M153 HydrophobicContact CD1-CG 4.03Å; I73-M153 HydrophobicContact CG1-CE 4.19Å; V80-M153 HydrophobicContact CG1-CB 4.06Å; V80-M153 HydrophobicContact CG1-CE 4.35Å; T84-M153 HydrophobicContact CG2-CB 4.34Å; V149-M153 HydrophobicContact CG1-CG 4.05Å; V149-M153 HydrophobicContact CG1-SD 3.67Å; V149-M153 VanDerWaalsContact O-CB 3.29Å; V149-M153 WeakPolarHBondContact O-CB 3.42Å; V149-M153 WeakPolarHBondContact O-CG 3.49Å; V149-M153 PolarHBondContact O-N 2.71Å; M153-C156 WeakPolarHBondContact O-CB 3.43Å; M153-A157 WeakPolarHBondContact O-CB 3.3Å; M153-A157 PolarHBondContact O-N 3.31Å; M153-A157 VanDerWaalsContact O-N 3.08Å |
| 154 | F | 94.6 | Very high | 92.2 | Very high | 20 Ų | 20 | 28.9 Ų | 28.9 | 9% | 0.088 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.5 | -52.4 | 173.4 | -179.1 | -93.1 | 0 | 0 | 0 | 110.8 | L81 T84 A85 Y88 L150 V151 C156 A157 H158 | L81-F154 HydrophobicContact CD2-CD2 3.86Å; L81-F154 HydrophobicContact CD2-CE2 3.75Å; L81-F154 HydrophobicContact CD2-CG 4.42Å; L81-F154 HydrophobicContact CD2-CZ 4.23Å; T84-F154 WeakPolarHBondContact OG1-CA 3.39Å; T84-F154 WeakPolarHBondContact OG1-CB 3.14Å; T84-F154 WeakPolarHBondContact OG1-CD2 3.37Å; A85-F154 HydrophobicContact CB-CD2 4.45Å; A85-F154 HydrophobicContact CB-CE2 3.94Å; Y88-F154 AromaticContact CD1-CD1 3.69Å; Y88-F154 HydrophobicContact CD1-CD1 3.69Å; Y88-F154 AromaticContact CD1-CE1 3.44Å; Y88-F154 HydrophobicContact CD1-CE1 3.44Å; Y88-F154 VanDerWaalsContact CD1-CE1 3.44Å; Y88-F154 HydrophobicContact CD1-CG 4.36Å; Y88-F154 AromaticContact CD1-CZ 3.92Å; Y88-F154 HydrophobicContact CD1-CZ 3.92Å; Y88-F154 HydrophobicContact CD2-CB 4.11Å; Y88-F154 AromaticContact CD2-CD1 3.47Å; Y88-F154 HydrophobicContact CD2-CD1 3.47Å; Y88-F154 VanDerWaalsContact CD2-CD1 3.47Å; Y88-F154 HydrophobicContact CD2-CE1 4.11Å; Y88-F154 AromaticContact CD2-CG 3.93Å; Y88-F154 HydrophobicContact CD2-CG 3.93Å; Y88-F154 AromaticContact CE1-CD1 3.94Å; Y88-F154 HydrophobicContact CE1-CD1 3.94Å; Y88-F154 AromaticContact CE1-CE1 3.57Å; Y88-F154 HydrophobicContact CE1-CE1 3.57Å; Y88-F154 HydrophobicContact CE1-CZ 4.35Å; Y88-F154 AromaticContact CE2-CD1 3.76Å; Y88-F154 HydrophobicContact CE2-CD1 3.76Å; Y88-F154 HydrophobicContact CE2-CE1 4.24Å; Y88-F154 HydrophobicContact CG-CB 4.35Å; Y88-F154 AromaticContact CG-CD1 3.44Å; Y88-F154 HydrophobicContact CG-CD1 3.44Å; Y88-F154 VanDerWaalsContact CG-CD1 3.44Å; Y88-F154 HydrophobicContact CG-CD2 4.36Å; Y88-F154 AromaticContact CG-CE1 3.73Å; Y88-F154 HydrophobicContact CG-CE1 3.73Å; Y88-F154 AromaticContact CG-CG 3.79Å; Y88-F154 HydrophobicContact CG-CG 3.79Å; Y88-F154 HydrophobicContact CG-CZ 4.29Å; Y88-F154 AromaticContact CZ-CD1 4Å; L150-F154 PolarHBondContact O-N 3.13Å; L150-F154 VanDerWaalsContact O-N 3.17Å; V151-F154 PolarHBondContact O-N 3.19Å; F154-C156 PolarHBondContact O-N 3.36Å; F154-A157 PolarHBondContact O-N 3.4Å; F154-H158 HydrophobicContact CE1-CB 4.48Å; F154-H158 WeakPolarHBondContact O-CB 3.3Å; F154-H158 PolarHBondContact O-N 3.32Å |
| 155 | N | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.7 | -39.6 | -177.9 | -171.5 | 62.5 | 0 | 0 | 0 | 113 | V151 G152 A157 H158 E159 S165 D166 Y169 | V151-N155 PolarHBondContact O-N 2.7Å; G152-N155 PolarHBondContact O-N 3.34Å; N155-A157 VanDerWaalsContact C-N 3.33Å; N155-A157 PolarHBondContact O-N 3.02Å; N155-H158 PolarHBondContact O-N 3.44Å; N155-E159 WeakPolarHBondContact O-CB 3.42Å; N155-E159 PolarHBondContact O-N 3.2Å; N155-S165 PolarHBondContact ND2-OG 2.87Å; N155-S165 WeakPolarHBondContact OD1-CA 3.47Å; N155-S165 WeakPolarHBondContact OD1-CB 3.29Å; N155-D166 PolarHBondContact OD1-N 3.18Å; N155-Y169 HydrophobicContact CB-CD1 4.31Å; N155-Y169 HydrophobicContact CB-CD2 3.28Å; N155-Y169 HydrophobicContact CB-CE2 3.54Å; N155-Y169 HydrophobicContact CB-CG 3.69Å; N155-Y169 VanDerWaalsContact ND2-CD1 3.31Å; N155-Y169 WeakPolarHBondContact ND2-CD1 3.36Å; N155-Y169 WeakPolarHBondContact ND2-CE1 3.39Å |
| 156 | C | 91.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -50.5 | -54.7 | 170.4 | -74.7 | 0 | 0 | 0 | 0 | 110.6 | F63 I73 G152 M153 F154 E159 M160 | F63-C156 HydrophobicContact CD1-CB 4.19Å; F63-C156 HydrophobicContact CE1-CB 3.99Å; F63-C156 WeakPolarHBondContact CE1-SG 3.07Å; I73-C156 HydrophobicContact CD1-CB 4.44Å; I73-C156 HydrophobicContact CG2-CB 4.12Å; G152-C156 WeakPolarHBondContact O-CB 3.45Å; G152-C156 PolarHBondContact O-N 3.43Å; G152-C156 PolarHBondContact O-SG 3.01Å; M153-C156 WeakPolarHBondContact O-CB 3.43Å; F154-C156 PolarHBondContact O-N 3.36Å; C156-E159 PolarHBondContact O-N 3.35Å; C156-M160 WeakPolarHBondContact O-CB 3.44Å; C156-M160 WeakPolarHBondContact O-CG 3.36Å; C156-M160 PolarHBondContact O-N 3.46Å |
| 157 | A | 92.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71.2 | -33.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112 | I73 K77 V80 L81 M153 F154 N155 T161 | I73-A157 HydrophobicContact CG2-CB 4.04Å; K77-A157 HydrophobicContact CB-CB 4.22Å; V80-A157 HydrophobicContact CB-CB 4.18Å; V80-A157 HydrophobicContact CG1-CB 3.97Å; L81-A157 HydrophobicContact CD1-CB 4.45Å; L81-A157 HydrophobicContact CD2-CB 4.08Å; L81-A157 HydrophobicContact CG-CB 3.7Å; M153-A157 WeakPolarHBondContact O-CB 3.3Å; M153-A157 PolarHBondContact O-N 3.31Å; M153-A157 VanDerWaalsContact O-N 3.08Å; F154-A157 PolarHBondContact O-N 3.4Å; N155-A157 VanDerWaalsContact C-N 3.33Å; N155-A157 PolarHBondContact O-N 3.02Å; A157-T161 WeakPolarHBondContact O-CB 3.32Å; A157-T161 PolarHBondContact O-N 2.87Å; A157-T161 VanDerWaalsContact O-N 3.16Å; A157-T161 PolarHBondContact O-OG1 3.42Å |
| 158 | H | 93 | Very high | 92.2 | Very high | 33 Ų | 33 | 32.2 Ų | 32.2 | 15% | 0.153 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -50.8 | 173.5 | -175.9 | -87.2 | 0 | 0 | 0 | 110.8 | L81 F154 N155 M160 T161 N162 S164 D166 | L81-H158 HydrophobicContact CD2-CB 3.97Å; F154-H158 HydrophobicContact CE1-CB 4.48Å; F154-H158 WeakPolarHBondContact O-CB 3.3Å; F154-H158 PolarHBondContact O-N 3.32Å; N155-H158 PolarHBondContact O-N 3.44Å; H158-M160 VanDerWaalsContact C-N 3.35Å; H158-M160 PolarHBondContact O-N 2.86Å; H158-T161 PolarHBondContact O-N 2.71Å; H158-N162 PolarHBondContact CD2-ND2 3.13Å; H158-N162 PolarHBondContact CE1-ND2 3.29Å; H158-N162 PolarHBondContact NE2-ND2 3.11Å; H158-N162 WeakPolarHBondContact O-CB 3.5Å; H158-N162 PolarHBondContact O-N 3.41Å; H158-S164 PolarHBondContact ND1-O 3.24Å; H158-D166 PolarHBondContact ND1-N 2.87Å |
| 159 | E | 90.8 | Very high | 92.2 | Very high | 30 Ų | 30 | 30.8 Ų | 30.8 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.5 | -38.2 | 179.3 | -175.9 | 165 | 161.9 | 0 | 0 | 112.4 | F63 N155 C156 T161 G163 S164 S165 | F63-E159 HydrophobicContact CD2-CG 4.47Å; F63-E159 WeakPolarHBondContact CD2-OE2 3.41Å; F63-E159 WeakPolarHBondContact CE2-OE2 3.49Å; N155-E159 WeakPolarHBondContact O-CB 3.42Å; N155-E159 PolarHBondContact O-N 3.2Å; C156-E159 PolarHBondContact O-N 3.35Å; E159-T161 PolarHBondContact O-N 2.75Å; E159-G163 VanDerWaalsContact O-CA 3.25Å; E159-G163 WeakPolarHBondContact O-CA 3.49Å; E159-G163 PolarHBondContact O-N 3.45Å; E159-S164 VanDerWaalsContact CA-O 3.29Å; E159-S164 WeakPolarHBondContact CA-O 3.34Å; E159-S165 WeakPolarHBondContact OE2-CB 3.32Å; E159-S165 PolarHBondContact OE2-N 3.39Å; E159-S165 PolarHBondContact OE2-OG 3.2Å |
| 160 | M | 89.9 | Confident | 92.2 | Very high | 36 Ų | 36 | 34.5 Ų | 34.5 | 18% | 0.177 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -16.6 | 173.5 | -71.5 | 171.7 | 171.6 | 0 | 0 | 114.1 | L70 I73 Q74 K77 C156 H158 | L70-M160 HydrophobicContact CB-CE 3.94Å; L70-M160 HydrophobicContact CD1-CE 4.28Å; I73-M160 HydrophobicContact CG2-SD 4.01Å; Q74-M160 HydrophobicContact CB-CE 4.4Å; Q74-M160 HydrophobicContact CB-SD 4.11Å; Q74-M160 PolarHBondContact OE1-SD 3.23Å; K77-M160 HydrophobicContact CD-CB 4.17Å; K77-M160 PolarHBondContact NZ-O 3.33Å; C156-M160 WeakPolarHBondContact O-CB 3.44Å; C156-M160 WeakPolarHBondContact O-CG 3.36Å; C156-M160 PolarHBondContact O-N 3.46Å; H158-M160 VanDerWaalsContact C-N 3.35Å; H158-M160 PolarHBondContact O-N 2.86Å |
| 161 | T | 90.9 | Very high | 92.1 | Very high | 65 Ų | 65 | 40.9 Ų | 40.9 | 40% | 0.399 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -99.7 | -44 | 179.5 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | L81 A157 H158 E159 | L81-T161 HydrophobicContact CD1-CG2 4.45Å; A157-T161 WeakPolarHBondContact O-CB 3.32Å; A157-T161 PolarHBondContact O-N 2.87Å; A157-T161 VanDerWaalsContact O-N 3.16Å; A157-T161 PolarHBondContact O-OG1 3.42Å; H158-T161 PolarHBondContact O-N 2.71Å; E159-T161 PolarHBondContact O-N 2.75Å |
| 162 | N | 91.1 | Very high | 92.1 | Very high | 95 Ų | 95 | 40.9 Ų | 40.9 | 51% | 0.508 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -107.1 | -3.6 | -170 | -62.7 | -31.3 | 0 | 0 | 0 | 113.7 | H158 S164 | H158-N162 PolarHBondContact CD2-ND2 3.13Å; H158-N162 PolarHBondContact CE1-ND2 3.29Å; H158-N162 PolarHBondContact NE2-ND2 3.11Å; H158-N162 WeakPolarHBondContact O-CB 3.5Å; H158-N162 PolarHBondContact O-N 3.41Å; N162-S164 PolarHBondContact O-N 2.96Å |
| 163 | G | 87.2 | Confident | 92 | Very high | 52 Ų | 52 | 40.9 Ų | 40.9 | 54% | 0.536 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 77.4 | -0.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E159 | E159-G163 VanDerWaalsContact O-CA 3.25Å; E159-G163 WeakPolarHBondContact O-CA 3.49Å; E159-G163 PolarHBondContact O-N 3.45Å |
| 164 | S | 89.9 | Confident | 92 | Very high | 71 Ų | 71 | 45.3 Ų | 45.3 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -147.1 | 149.8 | 176.5 | 54.5 | 0 | 0 | 0 | 0 | 111.8 | H158 E159 N162 | H158-S164 PolarHBondContact ND1-O 3.24Å; E159-S164 VanDerWaalsContact CA-O 3.29Å; E159-S164 WeakPolarHBondContact CA-O 3.34Å; N162-S164 PolarHBondContact O-N 2.96Å |
| 165 | S | 89.9 | Confident | 92 | Very high | 40 Ų | 40 | 45 Ų | 45 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | trans | -58.1 | 152.9 | 171.8 | -81.4 | 0 | 0 | 0 | 0 | 111.3 | N155 E159 | N155-S165 PolarHBondContact ND2-OG 2.87Å; N155-S165 WeakPolarHBondContact OD1-CA 3.47Å; N155-S165 WeakPolarHBondContact OD1-CB 3.29Å; E159-S165 WeakPolarHBondContact OE2-CB 3.32Å; E159-S165 PolarHBondContact OE2-N 3.39Å; E159-S165 PolarHBondContact OE2-OG 3.2Å | ||
| 166 | D | 93.6 | Very high | 91.9 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 14% | 0.144 | 26% | 0.262 | C | S | . | . | trans | -61.4 | 136.6 | 172.1 | -179.8 | -95.1 | 0 | 0 | 0 | 110.6 | Y88 N155 H158 S168 Y169 P170 | Y88-D166 VanDerWaalsContact OH-CG 3.28Å; Y88-D166 PolarHBondContact OH-OD1 3.5Å; N155-D166 PolarHBondContact OD1-N 3.18Å; H158-D166 PolarHBondContact ND1-N 2.87Å; D166-S168 PolarHBondContact O-N 3.37Å; D166-S168 VanDerWaalsContact O-N 3.15Å; D166-S168 WeakPolarHBondContact OD1-CA 3.35Å; D166-S168 VanDerWaalsContact OD1-CB 3.3Å; D166-S168 WeakPolarHBondContact OD1-CB 3.43Å; D166-S168 PolarHBondContact OD1-N 3.47Å; D166-Y169 WeakPolarHBondContact O-CB 3.38Å; D166-Y169 PolarHBondContact O-N 2.6Å; D166-Y169 VanDerWaalsContact O-N 3.13Å; D166-P170 WeakPolarHBondContact O-CD 3.33Å | ||
| 167 | P | 93.1 | Very high | 91.9 | Very high | 115 Ų | 115 | 48.2 Ų | 48.2 | 75% | 0.747 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29 | -177.1 | -26.2 | 35.2 | 0 | 0 | 0 | 114.6 | ||
| 168 | S | 93.6 | Very high | 91.9 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 34% | 0.343 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -16.4 | -177.8 | -59.2 | 0 | 0 | 0 | 0 | 113 | D166 R171 L172 | D166-S168 PolarHBondContact O-N 3.37Å; D166-S168 VanDerWaalsContact O-N 3.15Å; D166-S168 WeakPolarHBondContact OD1-CA 3.35Å; D166-S168 VanDerWaalsContact OD1-CB 3.3Å; D166-S168 WeakPolarHBondContact OD1-CB 3.43Å; D166-S168 PolarHBondContact OD1-N 3.47Å; S168-R171 PolarHBondContact O-N 3.37Å; S168-L172 PolarHBondContact O-N 3.36Å |
| 169 | Y | 94.2 | Very high | 91.8 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.3 | -45.4 | -176.4 | 173 | -95.2 | 0 | 0 | 0 | 114 | F58 P59 I61 Y88 V151 N155 D166 R171 L172 G173 | F58-Y169 HydrophobicContact CE2-CE2 4.09Å; P59-Y169 WeakPolarHBondContact O-CE1 3.05Å; P59-Y169 PolarHBondContact O-OH 2.82Å; I61-Y169 VanDerWaalsContact CD1-OH 3.3Å; I61-Y169 WeakPolarHBondContact CD1-OH 3.47Å; Y88-Y169 WeakPolarHBondContact OH-CA 3.29Å; Y88-Y169 PolarHBondContact OH-N 3.41Å; Y88-Y169 VanDerWaalsContact OH-N 3.11Å; V151-Y169 HydrophobicContact CG1-CD2 3.72Å; V151-Y169 HydrophobicContact CG1-CE2 3.79Å; N155-Y169 HydrophobicContact CB-CD1 4.31Å; N155-Y169 HydrophobicContact CB-CD2 3.28Å; N155-Y169 HydrophobicContact CB-CE2 3.54Å; N155-Y169 HydrophobicContact CB-CG 3.69Å; N155-Y169 VanDerWaalsContact ND2-CD1 3.31Å; N155-Y169 WeakPolarHBondContact ND2-CD1 3.36Å; N155-Y169 WeakPolarHBondContact ND2-CE1 3.39Å; D166-Y169 WeakPolarHBondContact O-CB 3.38Å; D166-Y169 PolarHBondContact O-N 2.6Å; D166-Y169 VanDerWaalsContact O-N 3.13Å; Y169-R171 VanDerWaalsContact C-N 3.26Å; Y169-R171 PolarHBondContact O-N 3.31Å; Y169-L172 PolarHBondContact O-N 3.02Å; Y169-G173 PolarHBondContact O-N 3.27Å |
| 170 | P | 93.1 | Very high | 91.6 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 179.8 | -25.2 | 35 | 0 | 0 | 0 | 112.5 | D166 Q174 | D166-P170 WeakPolarHBondContact O-CD 3.33Å; P170-Q174 WeakPolarHBondContact O-CB 3.42Å; P170-Q174 PolarHBondContact O-N 3.46Å |
| 171 | R | 93.2 | Very high | 91.7 | Very high | 133 Ų | 133 | 57.4 Ų | 57.4 | 50% | 0.502 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.7 | -44.6 | 178.9 | -170.9 | -177.7 | -172.6 | -155.4 | 1.9 | 111.5 | D99 S168 Y169 Q174 M175 | D99-R171 IonicContact OD1-CZ 3Å; D99-R171 IonicContact OD1-NH2 3.11Å; D99-R171 PolarHBondContact OD1-NH2 3.42Å; D99-R171 IonicContact OD2-CZ 2.57Å; D99-R171 IonicContact OD2-NH1 2.85Å; D99-R171 PolarHBondContact OD2-NH1 3.14Å; D99-R171 IonicContact OD2-NH2 3.04Å; D99-R171 PolarHBondContact OD2-NH2 3.08Å; S168-R171 PolarHBondContact O-N 3.37Å; Y169-R171 VanDerWaalsContact C-N 3.26Å; Y169-R171 PolarHBondContact O-N 3.31Å; R171-Q174 PolarHBondContact O-N 3.19Å; R171-M175 PolarHBondContact O-N 3.2Å |
| 172 | L | 92.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 177 | 179.3 | 57.8 | 0 | 0 | 0 | 112.3 | Y88 F91 L92 I95 V151 S168 Y169 Q174 M175 F176 | Y88-L172 HydrophobicContact CD2-CD2 3.98Å; Y88-L172 HydrophobicContact CE2-CD2 3.65Å; F91-L172 HydrophobicContact CB-CD1 3.87Å; F91-L172 HydrophobicContact CB-CD2 4.11Å; L92-L172 HydrophobicContact CD2-CD2 4.11Å; I95-L172 HydrophobicContact CD1-CB 3.64Å; I95-L172 HydrophobicContact CD1-CD1 3.58Å; I95-L172 HydrophobicContact CD1-CG 4.16Å; I95-L172 HydrophobicContact CG1-CD1 4.06Å; V151-L172 HydrophobicContact CB-CD2 4.33Å; V151-L172 HydrophobicContact CG1-CD2 3.53Å; V151-L172 HydrophobicContact CG1-CG 4Å; V151-L172 HydrophobicContact CG2-CD2 3.76Å; V151-L172 HydrophobicContact CG2-CG 4.42Å; S168-L172 PolarHBondContact O-N 3.36Å; Y169-L172 PolarHBondContact O-N 3.02Å; L172-Q174 PolarHBondContact O-N 3.39Å; L172-M175 HydrophobicContact CD1-CE 3.97Å; L172-M175 PolarHBondContact O-N 3.42Å; L172-F176 HydrophobicContact CD1-CD1 4.2Å; L172-F176 HydrophobicContact CD1-CE1 3.53Å; L172-F176 HydrophobicContact CD1-CE2 4.46Å; L172-F176 HydrophobicContact CD1-CZ 3.7Å; L172-F176 HydrophobicContact CG-CE1 4.44Å; L172-F176 HydrophobicContact CG-CZ 4.3Å; L172-F176 PolarHBondContact O-N 3.08Å; L172-F176 VanDerWaalsContact O-N 3.14Å |
| 173 | G | 92.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y169 F176 V177 | Y169-G173 PolarHBondContact O-N 3.27Å; G173-F176 PolarHBondContact O-N 3.41Å; G173-V177 WeakPolarHBondContact O-CG2 3.33Å; G173-V177 PolarHBondContact O-N 3.27Å |
| 174 | Q | 92.1 | Very high | 92.1 | Very high | 94 Ų | 94 | 55.4 Ų | 55.4 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 175.9 | -177.7 | 60.1 | 25.5 | 0 | 0 | 111.9 | P170 R171 L172 F176 V177 E178 | P170-Q174 WeakPolarHBondContact O-CB 3.42Å; P170-Q174 PolarHBondContact O-N 3.46Å; R171-Q174 PolarHBondContact O-N 3.19Å; L172-Q174 PolarHBondContact O-N 3.39Å; Q174-F176 VanDerWaalsContact C-N 3.32Å; Q174-F176 PolarHBondContact O-N 3.31Å; Q174-V177 PolarHBondContact O-N 3.36Å; Q174-V177 VanDerWaalsContact O-N 3.12Å; Q174-E178 WeakPolarHBondContact CG-OE1 3.29Å; Q174-E178 PolarHBondContact NE2-OE1 2.97Å; Q174-E178 WeakPolarHBondContact O-CG 3.43Å; Q174-E178 PolarHBondContact O-N 2.89Å |
| 175 | M | 92.9 | Very high | 92.3 | Very high | 13 Ų | 13 | 54 Ų | 54 | 6% | 0.064 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56 | -46.2 | 176.3 | -175.8 | -179 | 72.2 | 0 | 0 | 111.5 | V94 I95 L141 R171 L172 V177 E178 Y179 | V94-M175 HydrophobicContact CG1-CE 4.21Å; I95-M175 HydrophobicContact CB-SD 4.37Å; I95-M175 HydrophobicContact CD1-CE 4.4Å; I95-M175 HydrophobicContact CG1-CE 3.5Å; I95-M175 VanDerWaalsContact CG1-CE 3.5Å; I95-M175 HydrophobicContact CG1-SD 3.53Å; I95-M175 VanDerWaalsContact CG1-SD 3.53Å; L141-M175 HydrophobicContact CD2-CE 3.78Å; R171-M175 PolarHBondContact O-N 3.2Å; L172-M175 HydrophobicContact CD1-CE 3.97Å; L172-M175 PolarHBondContact O-N 3.42Å; M175-V177 VanDerWaalsContact C-N 3.26Å; M175-V177 PolarHBondContact O-N 3.06Å; M175-E178 PolarHBondContact O-N 2.83Å; M175-Y179 HydrophobicContact CG-CD2 3.54Å; M175-Y179 HydrophobicContact CG-CE2 3.64Å; M175-Y179 VanDerWaalsContact O-CD2 3.29Å; M175-Y179 WeakPolarHBondContact O-CD2 3.19Å; M175-Y179 PolarHBondContact O-N 2.91Å; M175-Y179 HydrophobicContact SD-CE2 4.33Å |
| 176 | F | 93.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -31.7 | 180 | -73.7 | 4.5 | 0 | 0 | 0 | 113.2 | F58 F91 L141 K147 K148 V151 L172 G173 Q174 D180 | F58-F176 HydrophobicContact CE1-CB 3.98Å; F58-F176 AromaticContact CE1-CD2 4Å; F58-F176 HydrophobicContact CE1-CD2 4Å; F58-F176 HydrophobicContact CE1-CG 4.46Å; F58-F176 HydrophobicContact CZ-CB 4.48Å; F58-F176 AromaticContact CZ-CD2 3.75Å; F58-F176 HydrophobicContact CZ-CD2 3.75Å; F58-F176 HydrophobicContact CZ-CE2 4.47Å; F91-F176 HydrophobicContact CB-CZ 4.13Å; F91-F176 AromaticContact CD1-CZ 3.95Å; F91-F176 HydrophobicContact CD1-CZ 3.95Å; F91-F176 HydrophobicContact CD2-CZ 4.29Å; F91-F176 HydrophobicContact CE1-CZ 4.43Å; F91-F176 AromaticContact CG-CZ 3.88Å; F91-F176 HydrophobicContact CG-CZ 3.88Å; L141-F176 HydrophobicContact CD1-CE1 3.85Å; L141-F176 HydrophobicContact CD1-CZ 4.16Å; L141-F176 HydrophobicContact CD2-CD1 4.16Å; L141-F176 HydrophobicContact CD2-CE1 3.86Å; L141-F176 HydrophobicContact CG-CE1 4.28Å; K147-F176 HydrophobicContact CB-CD2 4.42Å; K147-F176 HydrophobicContact CB-CE2 3.78Å; K147-F176 HydrophobicContact CB-CZ 4.13Å; K147-F176 HydrophobicContact CD-CD2 4.19Å; K147-F176 HydrophobicContact CD-CE2 4.19Å; K147-F176 HydrophobicContact CD-CG 4.37Å; K147-F176 HydrophobicContact CD-CZ 4.36Å; K147-F176 HydrophobicContact CG-CD2 3.97Å; K147-F176 HydrophobicContact CG-CE2 3.85Å; K147-F176 HydrophobicContact CG-CZ 4.4Å; K148-F176 HydrophobicContact CG-CD2 4.43Å; V151-F176 HydrophobicContact CB-CE2 4.28Å; V151-F176 HydrophobicContact CG2-CE2 3.74Å; V151-F176 HydrophobicContact CG2-CZ 4.05Å; L172-F176 HydrophobicContact CD1-CD1 4.2Å; L172-F176 HydrophobicContact CD1-CE1 3.53Å; L172-F176 HydrophobicContact CD1-CE2 4.46Å; L172-F176 HydrophobicContact CD1-CZ 3.7Å; L172-F176 HydrophobicContact CG-CE1 4.44Å; L172-F176 HydrophobicContact CG-CZ 4.3Å; L172-F176 PolarHBondContact O-N 3.08Å; L172-F176 VanDerWaalsContact O-N 3.14Å; G173-F176 PolarHBondContact O-N 3.41Å; Q174-F176 VanDerWaalsContact C-N 3.32Å; Q174-F176 PolarHBondContact O-N 3.31Å; F176-D180 PolarHBondContact O-N 3.43Å |
| 177 | V | 91.6 | Very high | 92.5 | Very high | 66 Ų | 66 | 51.4 Ų | 51.4 | 40% | 0.4 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -72.9 | -41.4 | 174.9 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | P59 G173 Q174 M175 Y179 D180 | P59-V177 HydrophobicContact CG-CG2 4.19Å; G173-V177 WeakPolarHBondContact O-CG2 3.33Å; G173-V177 PolarHBondContact O-N 3.27Å; Q174-V177 PolarHBondContact O-N 3.36Å; Q174-V177 VanDerWaalsContact O-N 3.12Å; M175-V177 VanDerWaalsContact C-N 3.26Å; M175-V177 PolarHBondContact O-N 3.06Å; V177-Y179 VanDerWaalsContact C-N 3.35Å; V177-Y179 PolarHBondContact O-N 3.43Å; V177-D180 WeakPolarHBondContact O-CB 3.45Å; V177-D180 PolarHBondContact O-N 2.91Å |
| 178 | E | 91.2 | Very high | 92.4 | Very high | 71 Ų | 71 | 51.4 Ų | 51.4 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 178.5 | -71.3 | -176.5 | -160.1 | 0 | 0 | 112.7 | Q174 M175 K185 | Q174-E178 WeakPolarHBondContact CG-OE1 3.29Å; Q174-E178 PolarHBondContact NE2-OE1 2.97Å; Q174-E178 WeakPolarHBondContact O-CG 3.43Å; Q174-E178 PolarHBondContact O-N 2.89Å; M175-E178 PolarHBondContact O-N 2.83Å; E178-K185 HydrophobicContact CB-CD 4.48Å; E178-K185 WeakPolarHBondContact O-CB 3.48Å; E178-K185 VanDerWaalsContact OE2-CE 3.23Å; E178-K185 WeakPolarHBondContact OE2-CE 3.28Å; E178-K185 IonicContact OE2-NZ 3.5Å; E178-K185 PolarHBondContact OE2-NZ 2.96Å |
| 179 | Y | 91 | Very high | 92.4 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 19.6 | 178 | -64.2 | -78.2 | 0 | 0 | 0 | 114.1 | R98 Y134 I138 M175 V177 H181 P182 K185 L186 E189 | R98-Y179 PolarHBondContact NE-OH 3.37Å; Y134-Y179 PolarHBondContact OH-OH 3.47Å; I138-Y179 HydrophobicContact CD1-CE1 4.41Å; I138-Y179 HydrophobicContact CD1-CE2 4.31Å; I138-Y179 HydrophobicContact CG1-CE1 4.42Å; I138-Y179 HydrophobicContact CG2-CD1 3.33Å; I138-Y179 HydrophobicContact CG2-CE1 3.71Å; I138-Y179 HydrophobicContact CG2-CG 3.89Å; M175-Y179 HydrophobicContact CG-CD2 3.54Å; M175-Y179 HydrophobicContact CG-CE2 3.64Å; M175-Y179 VanDerWaalsContact O-CD2 3.29Å; M175-Y179 WeakPolarHBondContact O-CD2 3.19Å; M175-Y179 PolarHBondContact O-N 2.91Å; M175-Y179 HydrophobicContact SD-CE2 4.33Å; V177-Y179 VanDerWaalsContact C-N 3.35Å; V177-Y179 PolarHBondContact O-N 3.43Å; Y179-H181 PolarHBondContact O-N 2.84Å; Y179-P182 WeakPolarHBondContact O-CD 3.47Å; Y179-K185 HydrophobicContact CD1-CB 3.83Å; Y179-K185 HydrophobicContact CD1-CG 3.54Å; Y179-K185 HydrophobicContact CE1-CB 4.08Å; Y179-K185 HydrophobicContact CE1-CG 3.41Å; Y179-K185 VanDerWaalsContact CE1-CG 3.41Å; Y179-K185 HydrophobicContact CG-CG 4.23Å; Y179-L186 HydrophobicContact CE1-CD2 4.27Å; Y179-L186 HydrophobicContact CE1-CG 4.36Å; Y179-E189 PolarHBondContact OH-OE1 3.43Å; Y179-E189 PolarHBondContact OH-OE2 2.86Å |
| 180 | D | 87.4 | Confident | 92.5 | Very high | 82 Ų | 82 | 49.1 Ų | 49.1 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -60.1 | -28.6 | 172.1 | -147.5 | 55 | 0 | 0 | 0 | 110.6 | K148 F176 V177 | K148-D180 IonicContact NZ-OD1 3.97Å; K148-D180 PolarHBondContact NZ-OD1 3.46Å; F176-D180 PolarHBondContact O-N 3.43Å; V177-D180 WeakPolarHBondContact O-CB 3.45Å; V177-D180 PolarHBondContact O-N 2.91Å |
| 181 | H | 90.3 | Very high | 92.5 | Very high | 131 Ų | 131 | 47.1 Ų | 47.1 | 61% | 0.606 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -118.1 | 81.7 | 166.2 | -62.2 | -44.7 | 0 | 0 | 0 | 110.5 | Y179 W183 K184 K185 | Y179-H181 PolarHBondContact O-N 2.84Å; H181-W183 PolarHBondContact O-N 2.66Å; H181-K184 HydrophobicContact CB-CB 4.27Å; H181-K184 PolarHBondContact O-N 3.22Å; H181-K185 PolarHBondContact O-N 3.28Å |
| 182 | P | 93.1 | Very high | 92.5 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | -163.9 | 25 | -37.2 | 0 | 0 | 0 | 113 | I138 Y179 K184 K185 L186 | I138-P182 HydrophobicContact CG2-CB 3.94Å; Y179-P182 WeakPolarHBondContact O-CD 3.47Å; P182-K184 PolarHBondContact O-N 2.93Å; P182-K185 PolarHBondContact O-N 2.89Å; P182-L186 VanDerWaalsContact O-CB 3.29Å; P182-L186 WeakPolarHBondContact O-CB 3.36Å; P182-L186 WeakPolarHBondContact O-CG 3.33Å; P182-L186 PolarHBondContact O-N 2.96Å |
| 183 | W | 93.5 | Very high | 92.7 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | -179.4 | -74.6 | 109.4 | 0 | 0 | 0 | 113 | I139 H181 L186 T187 I258 L261 L262 L295 V300 L304 | I139-W183 HydrophobicContact CD1-CD2 4.49Å; I139-W183 HydrophobicContact CD1-CH2 3.58Å; I139-W183 HydrophobicContact CD1-CZ2 3.19Å; I139-W183 HydrophobicContact CD1-CZ3 4.36Å; I139-W183 HydrophobicContact CG1-CZ2 4.07Å; H181-W183 PolarHBondContact O-N 2.66Å; W183-L186 PolarHBondContact O-N 3.35Å; W183-T187 WeakPolarHBondContact O-CG2 3.45Å; W183-T187 PolarHBondContact O-N 2.87Å; W183-T187 PolarHBondContact O-OG1 2.91Å; W183-I258 HydrophobicContact CH2-CG1 4.49Å; W183-I258 HydrophobicContact CH2-CG2 4.37Å; W183-L261 HydrophobicContact CE3-CB 4.43Å; W183-L261 HydrophobicContact CH2-CD1 3.96Å; W183-L261 HydrophobicContact CZ3-CB 3.89Å; W183-L261 HydrophobicContact CZ3-CD1 4.07Å; W183-L262 HydrophobicContact CZ3-CD2 4.47Å; W183-L295 HydrophobicContact CH2-CD2 4.3Å; W183-L295 HydrophobicContact CZ2-CD1 4.17Å; W183-L295 HydrophobicContact CZ2-CD2 3.78Å; W183-V300 HydrophobicContact CD2-CG1 4.1Å; W183-V300 HydrophobicContact CG-CG1 4.32Å; W183-V300 HydrophobicContact CZ2-CG1 3.68Å; W183-L304 HydrophobicContact CB-CD1 3.93Å; W183-L304 HydrophobicContact CB-CD2 4.31Å |
| 184 | K | 91.7 | Very high | 92.8 | Very high | 124 Ų | 124 | 46.2 Ų | 46.2 | 54% | 0.539 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.7 | -49.5 | 178.9 | -175.7 | -178.2 | 175.2 | -173.6 | 0 | 110.7 | H181 P182 T187 E188 | H181-K184 HydrophobicContact CB-CB 4.27Å; H181-K184 PolarHBondContact O-N 3.22Å; P182-K184 PolarHBondContact O-N 2.93Å; K184-T187 PolarHBondContact O-N 3.43Å; K184-T187 PolarHBondContact O-OG1 3.27Å; K184-E188 WeakPolarHBondContact CE-OE1 3.47Å; K184-E188 WeakPolarHBondContact O-CG 3.29Å; K184-E188 PolarHBondContact O-N 2.94Å; K184-E188 VanDerWaalsContact O-N 3.12Å |
| 185 | K | 94.1 | Very high | 92.9 | Very high | 43 Ų | 43 | 50.6 Ų | 50.6 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 178.2 | 179.1 | 59.4 | 173.2 | -171.9 | 0 | 112 | E178 Y179 H181 P182 T187 E188 E189 | E178-K185 HydrophobicContact CB-CD 4.48Å; E178-K185 WeakPolarHBondContact O-CB 3.48Å; E178-K185 VanDerWaalsContact OE2-CE 3.23Å; E178-K185 WeakPolarHBondContact OE2-CE 3.28Å; E178-K185 IonicContact OE2-NZ 3.5Å; E178-K185 PolarHBondContact OE2-NZ 2.96Å; Y179-K185 HydrophobicContact CD1-CB 3.83Å; Y179-K185 HydrophobicContact CD1-CG 3.54Å; Y179-K185 HydrophobicContact CE1-CB 4.08Å; Y179-K185 HydrophobicContact CE1-CG 3.41Å; Y179-K185 VanDerWaalsContact CE1-CG 3.41Å; Y179-K185 HydrophobicContact CG-CG 4.23Å; H181-K185 PolarHBondContact O-N 3.28Å; P182-K185 PolarHBondContact O-N 2.89Å; K185-T187 PolarHBondContact O-N 3.35Å; K185-E188 WeakPolarHBondContact O-CB 3.46Å; K185-E188 PolarHBondContact O-N 3.46Å; K185-E189 HydrophobicContact CD-CG 4.31Å; K185-E189 WeakPolarHBondContact CE-OE1 3.46Å; K185-E189 WeakPolarHBondContact O-CG 3.42Å; K185-E189 PolarHBondContact O-N 3.3Å |
| 186 | L | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59 | -44.9 | 175.9 | -75.8 | 168.9 | 0 | 0 | 0 | 111.4 | Y134 A135 I138 I139 Y179 P182 W183 E188 E189 F190 L262 | Y134-L186 HydrophobicContact CD1-CD2 4.5Å; Y134-L186 HydrophobicContact CE1-CD2 3.96Å; A135-L186 HydrophobicContact CB-CD1 4.35Å; I138-L186 HydrophobicContact CB-CD1 4.27Å; I138-L186 HydrophobicContact CB-CD2 4.36Å; I138-L186 HydrophobicContact CG1-CD2 4.31Å; I138-L186 HydrophobicContact CG2-CD1 4Å; I138-L186 HydrophobicContact CG2-CD2 4.27Å; I138-L186 HydrophobicContact CG2-CG 4.14Å; I139-L186 HydrophobicContact CG1-CD1 4.47Å; Y179-L186 HydrophobicContact CE1-CD2 4.27Å; Y179-L186 HydrophobicContact CE1-CG 4.36Å; P182-L186 VanDerWaalsContact O-CB 3.29Å; P182-L186 WeakPolarHBondContact O-CB 3.36Å; P182-L186 WeakPolarHBondContact O-CG 3.33Å; P182-L186 PolarHBondContact O-N 2.96Å; W183-L186 PolarHBondContact O-N 3.35Å; L186-E188 VanDerWaalsContact C-N 3.29Å; L186-E188 PolarHBondContact O-N 3Å; L186-E189 PolarHBondContact O-N 3.48Å; L186-F190 HydrophobicContact CD2-CE2 4.27Å; L186-F190 WeakPolarHBondContact O-CB 3.24Å; L186-F190 VanDerWaalsContact O-CD2 3.29Å; L186-F190 WeakPolarHBondContact O-CD2 3.42Å; L186-F190 PolarHBondContact O-N 3.37Å; L186-L262 HydrophobicContact CB-CD2 3.75Å; L186-L262 HydrophobicContact CD1-CD2 4.39Å; L186-L262 HydrophobicContact CG-CD2 4.46Å |
| 187 | T | 93.3 | Very high | 93.2 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -33.5 | 177.4 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | W183 K184 K185 G191 L261 L304 | W183-T187 WeakPolarHBondContact O-CG2 3.45Å; W183-T187 PolarHBondContact O-N 2.87Å; W183-T187 PolarHBondContact O-OG1 2.91Å; K184-T187 PolarHBondContact O-N 3.43Å; K184-T187 PolarHBondContact O-OG1 3.27Å; K185-T187 PolarHBondContact O-N 3.35Å; T187-G191 PolarHBondContact O-N 3.07Å; T187-L261 VanDerWaalsContact CG2-O 3.27Å; T187-L261 WeakPolarHBondContact CG2-O 3.36Å; T187-L304 HydrophobicContact CG2-CD2 4.09Å |
| 188 | E | 91.6 | Very high | 93.4 | Very high | 115 Ų | 115 | 48 Ų | 48 | 54% | 0.537 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.1 | -44.5 | 174.3 | -69.9 | 170.1 | -171.2 | 0 | 0 | 111.1 | K184 K185 L186 F190 G191 | K184-E188 WeakPolarHBondContact CE-OE1 3.47Å; K184-E188 WeakPolarHBondContact O-CG 3.29Å; K184-E188 PolarHBondContact O-N 2.94Å; K184-E188 VanDerWaalsContact O-N 3.12Å; K185-E188 WeakPolarHBondContact O-CB 3.46Å; K185-E188 PolarHBondContact O-N 3.46Å; L186-E188 VanDerWaalsContact C-N 3.29Å; L186-E188 PolarHBondContact O-N 3Å; E188-F190 PolarHBondContact O-N 3Å; E188-G191 PolarHBondContact O-N 3.01Å |
| 189 | E | 93.4 | Very high | 93.6 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.056 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.6 | -35.6 | 177.3 | -71.7 | -171.7 | 154.9 | 0 | 0 | 112.8 | R98 Y102 Y134 Y179 K185 L186 G191 P192 | R98-E189 IonicContact CZ-OE1 2.94Å; R98-E189 IonicContact NE-OE1 3.84Å; R98-E189 IonicContact NH2-OE1 2.82Å; R98-E189 PolarHBondContact NH2-OE1 3.04Å; Y102-E189 HydrophobicContact CE2-CB 4.28Å; Y134-E189 PolarHBondContact OH-OE2 3.24Å; Y179-E189 PolarHBondContact OH-OE1 3.43Å; Y179-E189 PolarHBondContact OH-OE2 2.86Å; K185-E189 HydrophobicContact CD-CG 4.31Å; K185-E189 WeakPolarHBondContact CE-OE1 3.46Å; K185-E189 WeakPolarHBondContact O-CG 3.42Å; K185-E189 PolarHBondContact O-N 3.3Å; L186-E189 PolarHBondContact O-N 3.48Å; E189-G191 VanDerWaalsContact C-N 3.33Å; E189-P192 WeakPolarHBondContact O-CD 3.28Å |
| 190 | F | 95.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -4.8 | -179.5 | -86.8 | -84.2 | 0 | 0 | 0 | 114.8 | L105 L131 Y134 L186 E188 H193 T194 V197 L262 | L105-F190 HydrophobicContact CD1-CE1 3.67Å; L105-F190 HydrophobicContact CD1-CZ 3.65Å; L131-F190 HydrophobicContact CD2-CE1 3.42Å; L131-F190 VanDerWaalsContact CD2-CE1 3.42Å; L131-F190 HydrophobicContact CD2-CZ 3.75Å; Y134-F190 AromaticContact CD1-CE2 3.66Å; Y134-F190 HydrophobicContact CD1-CE2 3.66Å; Y134-F190 AromaticContact CD1-CZ 3.74Å; Y134-F190 HydrophobicContact CD1-CZ 3.74Å; Y134-F190 AromaticContact CE1-CE2 3.6Å; Y134-F190 HydrophobicContact CE1-CE2 3.6Å; Y134-F190 HydrophobicContact CE1-CZ 4.04Å; L186-F190 HydrophobicContact CD2-CE2 4.27Å; L186-F190 WeakPolarHBondContact O-CB 3.24Å; L186-F190 VanDerWaalsContact O-CD2 3.29Å; L186-F190 WeakPolarHBondContact O-CD2 3.42Å; L186-F190 PolarHBondContact O-N 3.37Å; E188-F190 PolarHBondContact O-N 3Å; F190-H193 HydrophobicContact CD1-CB 4Å; F190-H193 AromaticContact CD1-CD2 3.8Å; F190-H193 PolarHBondContact O-N 3.42Å; F190-T194 PolarHBondContact O-N 2.81Å; F190-V197 HydrophobicContact CD1-CG2 4.36Å; F190-L262 HydrophobicContact CB-CB 4.02Å; F190-L262 WeakPolarHBondContact CB-O 3.46Å; F190-L262 HydrophobicContact CD1-CB 4.23Å; F190-L262 HydrophobicContact CD1-CD1 4.3Å; F190-L262 HydrophobicContact CD2-CB 4.23Å; F190-L262 HydrophobicContact CD2-CD1 4.14Å; F190-L262 HydrophobicContact CD2-CD2 3.75Å; F190-L262 HydrophobicContact CD2-CG 4.25Å; F190-L262 HydrophobicContact CE1-CD1 4.17Å; F190-L262 HydrophobicContact CE2-CD1 3.93Å; F190-L262 HydrophobicContact CE2-CD2 4.04Å; F190-L262 HydrophobicContact CE2-CG 4.48Å; F190-L262 HydrophobicContact CG-CB 3.88Å; F190-L262 HydrophobicContact CG-CD1 4.3Å; F190-L262 HydrophobicContact CG-CD2 4.28Å; F190-L262 HydrophobicContact CG-CG 4.37Å; F190-L262 HydrophobicContact CZ-CD1 3.96Å |
| 191 | G | 93 | Very high | 94.4 | Very high | 38 Ų | 38 | 42.6 Ų | 42.6 | 39% | 0.392 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | -54.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | T187 E188 E189 H193 T194 | T187-G191 PolarHBondContact O-N 3.07Å; E188-G191 PolarHBondContact O-N 3.01Å; E189-G191 VanDerWaalsContact C-N 3.33Å; G191-H193 VanDerWaalsContact C-N 3.27Å; G191-H193 PolarHBondContact O-N 3.42Å; G191-T194 WeakPolarHBondContact O-CB 3.4Å; G191-T194 PolarHBondContact O-N 2.77Å; G191-T194 PolarHBondContact O-OG1 3.23Å |
| 192 | P | 93.9 | Very high | 94.7 | Very high | 85 Ų | 85 | 38.2 Ų | 38.2 | 55% | 0.552 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -33.2 | 177.2 | -23.8 | 35.1 | 0 | 0 | 0 | 114 | E189 T194 | E189-P192 WeakPolarHBondContact O-CD 3.28Å; P192-T194 VanDerWaalsContact C-N 3.31Å; P192-T194 PolarHBondContact O-N 3.26Å |
| 193 | H | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -4.8 | -175.3 | -51.7 | -43 | 0 | 0 | 0 | 114.3 | Y102 N106 D109 F190 G191 R195 S196 V197 | Y102-H193 AromaticContact CE2-NE2 3.87Å; N106-H193 PolarHBondContact OD1-CE1 2.98Å; D109-H193 IonicContact OD1-ND1 2.66Å; D109-H193 VanDerWaalsContact OD2-CA 3.26Å; D109-H193 WeakPolarHBondContact OD2-CA 3.46Å; D109-H193 IonicContact OD2-CE1 3.97Å; D109-H193 IonicContact OD2-CG 2.83Å; D109-H193 IonicContact OD2-ND1 2.97Å; D109-H193 PolarHBondContact OD2-ND1 2.84Å; F190-H193 HydrophobicContact CD1-CB 4Å; F190-H193 AromaticContact CD1-CD2 3.8Å; F190-H193 PolarHBondContact O-N 3.42Å; G191-H193 VanDerWaalsContact C-N 3.27Å; G191-H193 PolarHBondContact O-N 3.42Å; H193-R195 PolarHBondContact O-N 3.06Å; H193-S196 PolarHBondContact O-N 3.48Å; H193-V197 HydrophobicContact CB-CG2 4.13Å; H193-V197 WeakPolarHBondContact O-CG2 3.34Å; H193-V197 PolarHBondContact O-N 3.02Å; H193-V197 VanDerWaalsContact O-N 3.09Å |
| 194 | T | 94.8 | Very high | 95.1 | Very high | 30 Ų | 30 | 36.7 Ų | 36.7 | 18% | 0.184 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -49.1 | -40.4 | -172.9 | -65.6 | 0 | 0 | 0 | 0 | 113.7 | F190 G191 P192 T198 C263 S265 | F190-T194 PolarHBondContact O-N 2.81Å; G191-T194 WeakPolarHBondContact O-CB 3.4Å; G191-T194 PolarHBondContact O-N 2.77Å; G191-T194 PolarHBondContact O-OG1 3.23Å; P192-T194 VanDerWaalsContact C-N 3.31Å; P192-T194 PolarHBondContact O-N 3.26Å; T194-T198 WeakPolarHBondContact O-CB 3.18Å; T194-T198 PolarHBondContact O-N 3.44Å; T194-T198 PolarHBondContact O-OG1 3.46Å; T194-C263 HydrophobicContact CG2-CB 4.16Å; T194-S265 WeakPolarHBondContact CG2-OG 3.37Å |
| 195 | R | 94.4 | Very high | 95.2 | Very high | 186 Ų | 186 | 35.7 Ų | 35.7 | 70% | 0.702 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -65.9 | -52.3 | -176.8 | -176.4 | -179.8 | 179.7 | -175.8 | -2.7 | 111.7 | H193 T198 A199 | H193-R195 PolarHBondContact O-N 3.06Å; R195-T198 PolarHBondContact O-N 3.37Å; R195-A199 PolarHBondContact O-N 2.89Å |
| 196 | S | 95.1 | Very high | 95.1 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 8% | 0.077 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -45.4 | -177.7 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | D109 H193 A199 A200 | D109-S196 VanDerWaalsContact OD1-CB 3.31Å; D109-S196 WeakPolarHBondContact OD1-CB 3.44Å; D109-S196 PolarHBondContact OD1-OG 3.01Å; H193-S196 PolarHBondContact O-N 3.48Å; S196-A199 PolarHBondContact O-N 3.37Å; S196-A200 PolarHBondContact O-N 2.86Å; S196-A200 VanDerWaalsContact O-N 3.08Å |
| 197 | V | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 176.5 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | Y127 L131 F190 H193 A199 A200 L201 C263 | Y127-V197 WeakPolarHBondContact OH-CG2 3.42Å; L131-V197 HydrophobicContact CD1-CB 4.44Å; L131-V197 HydrophobicContact CD1-CG1 4.1Å; L131-V197 HydrophobicContact CD1-CG2 3.73Å; F190-V197 HydrophobicContact CD1-CG2 4.36Å; H193-V197 HydrophobicContact CB-CG2 4.13Å; H193-V197 WeakPolarHBondContact O-CG2 3.34Å; H193-V197 PolarHBondContact O-N 3.02Å; H193-V197 VanDerWaalsContact O-N 3.09Å; V197-A199 VanDerWaalsContact C-N 3.34Å; V197-A199 PolarHBondContact O-N 3.49Å; V197-A200 PolarHBondContact O-N 3.2Å; V197-L201 HydrophobicContact CG1-CD1 3.77Å; V197-L201 HydrophobicContact CG1-CG 4.26Å; V197-L201 VanDerWaalsContact O-CG 3.28Å; V197-L201 WeakPolarHBondContact O-CG 3.38Å; V197-L201 PolarHBondContact O-N 2.8Å; V197-C263 HydrophobicContact CB-CB 4.37Å; V197-C263 HydrophobicContact CG1-CB 4.28Å; V197-C263 VanDerWaalsContact CG1-SG 3.57Å |
| 198 | T | 96.6 | Very high | 95.3 | Very high | 16 Ų | 16 | 37.3 Ų | 37.3 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 178.9 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | T194 R195 L201 L202 S266 | T194-T198 WeakPolarHBondContact O-CB 3.18Å; T194-T198 PolarHBondContact O-N 3.44Å; T194-T198 PolarHBondContact O-OG1 3.46Å; R195-T198 PolarHBondContact O-N 3.37Å; T198-L201 PolarHBondContact O-N 3.12Å; T198-L202 HydrophobicContact CG2-CD1 3.6Å; T198-L202 HydrophobicContact CG2-CG 4.14Å; T198-L202 WeakPolarHBondContact O-CB 3.34Å; T198-L202 VanDerWaalsContact O-CG 3.27Å; T198-L202 WeakPolarHBondContact O-CG 3.49Å; T198-L202 PolarHBondContact O-N 2.81Å; T198-S266 WeakPolarHBondContact CG2-OG 3.22Å; T198-S266 VanDerWaalsContact OG1-CB 3.32Å; T198-S266 WeakPolarHBondContact OG1-CB 3.35Å; T198-S266 PolarHBondContact OG1-OG 2.93Å |
| 199 | A | 95.6 | Very high | 95.5 | Very high | 45 Ų | 45 | 33.8 Ų | 33.8 | 37% | 0.372 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.3 | -49.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R195 S196 V197 L201 L202 S203 | R195-A199 PolarHBondContact O-N 2.89Å; S196-A199 PolarHBondContact O-N 3.37Å; V197-A199 VanDerWaalsContact C-N 3.34Å; V197-A199 PolarHBondContact O-N 3.49Å; A199-L201 PolarHBondContact O-N 2.88Å; A199-L202 PolarHBondContact O-N 3.46Å; A199-S203 PolarHBondContact O-N 2.93Å |
| 200 | A | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -46.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | F115 T124 Y127 L128 S196 V197 S203 | F115-A200 HydrophobicContact CB-CB 3.68Å; F115-A200 HydrophobicContact CD2-CB 4.29Å; F115-A200 HydrophobicContact CG-CB 3.96Å; T124-A200 HydrophobicContact CG2-CB 4.2Å; Y127-A200 HydrophobicContact CD1-CB 3.97Å; Y127-A200 HydrophobicContact CE1-CB 4.06Å; L128-A200 HydrophobicContact CD2-CB 3.77Å; L128-A200 HydrophobicContact CG-CB 4.2Å; S196-A200 PolarHBondContact O-N 2.86Å; S196-A200 VanDerWaalsContact O-N 3.08Å; V197-A200 PolarHBondContact O-N 3.2Å; A200-S203 WeakPolarHBondContact O-CB 3.37Å; A200-S203 PolarHBondContact O-N 3.38Å; A200-S203 PolarHBondContact O-OG 2.84Å |
| 201 | L | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 179.8 | -67.2 | 174.6 | 0 | 0 | 0 | 113 | L128 V197 T198 A199 S203 L204 W255 F260 L276 | L128-L201 HydrophobicContact CD2-CD2 3.69Å; L128-L201 HydrophobicContact CD2-CG 4.18Å; V197-L201 HydrophobicContact CG1-CD1 3.77Å; V197-L201 HydrophobicContact CG1-CG 4.26Å; V197-L201 VanDerWaalsContact O-CG 3.28Å; V197-L201 WeakPolarHBondContact O-CG 3.38Å; V197-L201 PolarHBondContact O-N 2.8Å; T198-L201 PolarHBondContact O-N 3.12Å; A199-L201 PolarHBondContact O-N 2.88Å; L201-S203 PolarHBondContact O-N 3.42Å; L201-L204 HydrophobicContact CD2-CD1 4.31Å; L201-L204 VanDerWaalsContact O-CB 3.29Å; L201-L204 WeakPolarHBondContact O-CB 3.37Å; L201-L204 PolarHBondContact O-N 3.27Å; L201-L204 VanDerWaalsContact O-N 3.12Å; L201-W255 HydrophobicContact CD2-CB 4.17Å; L201-W255 VanDerWaalsContact CD2-O 3.27Å; L201-W255 WeakPolarHBondContact CD2-O 3.38Å; L201-F260 HydrophobicContact CB-CE1 4.07Å; L201-F260 HydrophobicContact CB-CE2 4.14Å; L201-F260 HydrophobicContact CB-CZ 3.69Å; L201-F260 HydrophobicContact CD1-CD1 3.71Å; L201-F260 HydrophobicContact CD1-CD2 4.15Å; L201-F260 HydrophobicContact CD1-CE1 3.75Å; L201-F260 HydrophobicContact CD1-CE2 4.2Å; L201-F260 HydrophobicContact CD1-CG 3.9Å; L201-F260 HydrophobicContact CD1-CZ 4Å; L201-L276 VanDerWaalsContact O-CD2 3.28Å; L201-L276 WeakPolarHBondContact O-CD2 3.23Å |
| 202 | L | 97.3 | Very high | 95.6 | Very high | 40 Ų | 40 | 37.2 Ų | 37.2 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.6 | -24.6 | -179.8 | -75.5 | 175.7 | 0 | 0 | 0 | 113 | T198 A199 L204 K205 F260 N270 A272 | T198-L202 HydrophobicContact CG2-CD1 3.6Å; T198-L202 HydrophobicContact CG2-CG 4.14Å; T198-L202 WeakPolarHBondContact O-CB 3.34Å; T198-L202 VanDerWaalsContact O-CG 3.27Å; T198-L202 WeakPolarHBondContact O-CG 3.49Å; T198-L202 PolarHBondContact O-N 2.81Å; A199-L202 PolarHBondContact O-N 3.46Å; L202-L204 PolarHBondContact O-N 3.41Å; L202-K205 WeakPolarHBondContact O-CB 3.45Å; L202-K205 PolarHBondContact O-N 3.19Å; L202-F260 HydrophobicContact CD2-CZ 4.42Å; L202-N270 VanDerWaalsContact CD1-ND2 3.31Å; L202-N270 WeakPolarHBondContact CD1-ND2 3.16Å; L202-A272 HydrophobicContact CD2-CB 3.85Å |
| 203 | S | 96.4 | Very high | 95.6 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61 | -27.8 | 172.7 | 76.9 | 0 | 0 | 0 | 0 | 112.6 | I117 A199 A200 L201 K205 T206 | I117-S203 WeakPolarHBondContact CB-OG 3.38Å; I117-S203 WeakPolarHBondContact CG2-OG 3.45Å; I117-S203 PolarHBondContact N-OG 2.73Å; A199-S203 PolarHBondContact O-N 2.93Å; A200-S203 WeakPolarHBondContact O-CB 3.37Å; A200-S203 PolarHBondContact O-N 3.38Å; A200-S203 PolarHBondContact O-OG 2.84Å; L201-S203 PolarHBondContact O-N 3.42Å; S203-K205 PolarHBondContact O-N 3.44Å; S203-K205 VanDerWaalsContact O-N 3.11Å; S203-T206 PolarHBondContact O-N 2.97Å; S203-T206 PolarHBondContact O-OG1 3.21Å; S203-T206 VanDerWaalsContact O-OG1 3.12Å |
| 204 | L | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -65.9 | -13.3 | 175.5 | -61.5 | 166.4 | 0 | 0 | 0 | 113.2 | I117 L128 L201 L202 T206 V207 Y208 M252 W255 I256 L276 | I117-L204 HydrophobicContact CB-CD2 4.29Å; I117-L204 HydrophobicContact CG1-CD2 4.05Å; I117-L204 HydrophobicContact CG2-CD2 4.13Å; L128-L204 HydrophobicContact CD1-CD1 4.23Å; L201-L204 HydrophobicContact CD2-CD1 4.31Å; L201-L204 VanDerWaalsContact O-CB 3.29Å; L201-L204 WeakPolarHBondContact O-CB 3.37Å; L201-L204 PolarHBondContact O-N 3.27Å; L201-L204 VanDerWaalsContact O-N 3.12Å; L202-L204 PolarHBondContact O-N 3.41Å; L204-T206 PolarHBondContact O-N 3.3Å; L204-V207 PolarHBondContact O-N 2.83Å; L204-Y208 PolarHBondContact O-N 3.43Å; L204-M252 HydrophobicContact CD2-CG 4.19Å; L204-M252 HydrophobicContact CD2-SD 4.31Å; L204-W255 HydrophobicContact CD1-CB 4.43Å; L204-W255 HydrophobicContact CD1-CE3 4.05Å; L204-W255 HydrophobicContact CD2-CE3 4.03Å; L204-W255 HydrophobicContact CD2-CZ3 4.05Å; L204-I256 HydrophobicContact CD1-CD1 4.18Å; L204-I256 HydrophobicContact CD1-CG1 3.7Å; L204-L276 HydrophobicContact CB-CD2 4.38Å |
| 205 | K | 95.2 | Very high | 95.6 | Very high | 103 Ų | 103 | 36.5 Ų | 36.5 | 45% | 0.448 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -59.9 | -25.9 | 178.6 | -172.3 | 177.4 | -180 | 175.2 | 0 | 112.5 | L202 S203 P209 | L202-K205 WeakPolarHBondContact O-CB 3.45Å; L202-K205 PolarHBondContact O-N 3.19Å; S203-K205 PolarHBondContact O-N 3.44Å; S203-K205 VanDerWaalsContact O-N 3.11Å; K205-P209 VanDerWaalsContact O-CD 3.25Å; K205-P209 WeakPolarHBondContact O-CD 3.24Å; K205-P209 VanDerWaalsContact O-CG 3.22Å; K205-P209 WeakPolarHBondContact O-CG 3.45Å |
| 206 | T | 91.1 | Very high | 95.7 | Very high | 88 Ų | 88 | 34.2 Ų | 34.2 | 54% | 0.54 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -84.8 | -12.4 | 177.8 | 60.5 | 0 | 0 | 0 | 0 | 113.2 | S203 L204 R210 | S203-T206 PolarHBondContact O-N 2.97Å; S203-T206 PolarHBondContact O-OG1 3.21Å; S203-T206 VanDerWaalsContact O-OG1 3.12Å; L204-T206 PolarHBondContact O-N 3.3Å; T206-R210 WeakPolarHBondContact O-CD 3.46Å; T206-R210 PolarHBondContact O-NE 3.19Å; T206-R210 VanDerWaalsContact O-NE 3.16Å |
| 207 | V | 95 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -57.7 | -173.3 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | I117 L204 R210 R211 C244 M252 | I117-V207 HydrophobicContact CG2-CG2 4.04Å; L204-V207 PolarHBondContact O-N 2.83Å; V207-R210 WeakPolarHBondContact O-CG 3.48Å; V207-R210 PolarHBondContact O-N 2.95Å; V207-R211 HydrophobicContact CG1-CG 4.1Å; V207-R211 WeakPolarHBondContact O-CG 3.41Å; V207-R211 PolarHBondContact O-N 3.29Å; V207-R211 VanDerWaalsContact O-N 3.08Å; V207-C244 HydrophobicContact CG1-CB 3.83Å; V207-C244 HydrophobicContact CG2-CB 4.03Å; V207-M252 HydrophobicContact CG1-SD 3.89Å |
| 208 | Y | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.3 | -44.9 | -170.9 | 179.8 | -114.1 | 0 | 0 | 0 | 113.6 | L204 R210 R211 N212 M249 M252 E253 I256 L276 M279 A280 S283 | L204-Y208 PolarHBondContact O-N 3.43Å; Y208-R210 PolarHBondContact O-N 3.39Å; Y208-R211 PolarHBondContact O-N 3.49Å; Y208-N212 HydrophobicContact CE2-CB 4.13Å; Y208-N212 VanDerWaalsContact O-CB 3.3Å; Y208-N212 WeakPolarHBondContact O-CB 3.45Å; Y208-N212 PolarHBondContact O-N 3.21Å; Y208-N212 PolarHBondContact OH-ND2 3.38Å; Y208-M249 HydrophobicContact CE2-CG 3.9Å; Y208-M252 HydrophobicContact CD2-CB 3.87Å; Y208-M252 HydrophobicContact CD2-CE 4.25Å; Y208-M252 HydrophobicContact CD2-SD 4.37Å; Y208-M252 HydrophobicContact CE2-CB 4.48Å; Y208-E253 HydrophobicContact CE2-CG 3.57Å; Y208-E253 WeakPolarHBondContact OH-CG 3.32Å; Y208-E253 PolarHBondContact OH-OE1 3.2Å; Y208-I256 HydrophobicContact CD1-CD1 3.38Å; Y208-I256 HydrophobicContact CD2-CD1 4.25Å; Y208-I256 HydrophobicContact CE1-CD1 3.87Å; Y208-I256 HydrophobicContact CG-CD1 3.63Å; Y208-L276 HydrophobicContact CD1-CD1 3.87Å; Y208-M279 HydrophobicContact CD1-CE 3.26Å; Y208-M279 HydrophobicContact CE1-CE 3.6Å; Y208-M279 HydrophobicContact CE1-CG 4.14Å; Y208-M279 HydrophobicContact CE1-SD 4.5Å; Y208-M279 HydrophobicContact CG-CE 4.33Å; Y208-A280 HydrophobicContact CE1-CB 4.11Å; Y208-S283 PolarHBondContact OH-OG 3.43Å; Y208-S283 VanDerWaalsContact OH-OG 3.08Å |
| 209 | P | 95.8 | Very high | 95.7 | Very high | 41 Ų | 41 | 43 Ų | 43 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 178.3 | -18.9 | 27 | 0 | 0 | 0 | 113.6 | K205 R211 N212 L213 M279 | K205-P209 VanDerWaalsContact O-CD 3.25Å; K205-P209 WeakPolarHBondContact O-CD 3.24Å; K205-P209 VanDerWaalsContact O-CG 3.22Å; K205-P209 WeakPolarHBondContact O-CG 3.45Å; P209-R211 VanDerWaalsContact C-N 3.31Å; P209-R211 PolarHBondContact O-N 3.07Å; P209-N212 PolarHBondContact O-N 2.99Å; P209-L213 WeakPolarHBondContact O-CD2 3.4Å; P209-M279 HydrophobicContact CB-CE 3.85Å; P209-M279 HydrophobicContact CB-SD 3.91Å; P209-M279 HydrophobicContact CG-CE 3.47Å; P209-M279 VanDerWaalsContact CG-CE 3.47Å; P209-M279 HydrophobicContact CG-SD 4.18Å |
| 210 | R | 94.3 | Very high | 95.7 | Very high | 94 Ų | 94 | 45.6 Ų | 45.6 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -75.1 | -20.1 | -178.9 | 65.9 | 171.2 | -176.1 | 91.9 | -4.1 | 113.4 | T206 V207 Y208 L213 T241 E245 | T206-R210 WeakPolarHBondContact O-CD 3.46Å; T206-R210 PolarHBondContact O-NE 3.19Å; T206-R210 VanDerWaalsContact O-NE 3.16Å; V207-R210 WeakPolarHBondContact O-CG 3.48Å; V207-R210 PolarHBondContact O-N 2.95Å; Y208-R210 PolarHBondContact O-N 3.39Å; R210-L213 WeakPolarHBondContact O-CD1 3.5Å; R210-L213 WeakPolarHBondContact O-CG 3.39Å; R210-T241 PolarHBondContact NH2-OG1 3.22Å; R210-T241 VanDerWaalsContact NH2-OG1 3.11Å; R210-E245 IonicContact CZ-OE1 2.61Å; R210-E245 IonicContact CZ-OE2 2.65Å; R210-E245 VanDerWaalsContact NH1-CD 3.29Å; R210-E245 IonicContact NH1-OE1 3.31Å; R210-E245 PolarHBondContact NH1-OE1 3.35Å; R210-E245 IonicContact NH1-OE2 3.55Å; R210-E245 PolarHBondContact NH1-OE2 2.85Å; R210-E245 IonicContact NH2-OE1 3.64Å; R210-E245 PolarHBondContact NH2-OE1 3.41Å; R210-E245 IonicContact NH2-OE2 3.18Å |
| 211 | R | 94.6 | Very high | 95.5 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 4% | 0.038 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -83.4 | -31 | 172.2 | -71.8 | -69.8 | -54.5 | -63.9 | -11.1 | 111.5 | V207 Y208 P209 L213 C244 E245 L247 M249 M252 F371 | V207-R211 HydrophobicContact CG1-CG 4.1Å; V207-R211 WeakPolarHBondContact O-CG 3.41Å; V207-R211 PolarHBondContact O-N 3.29Å; V207-R211 VanDerWaalsContact O-N 3.08Å; Y208-R211 PolarHBondContact O-N 3.49Å; P209-R211 VanDerWaalsContact C-N 3.31Å; P209-R211 PolarHBondContact O-N 3.07Å; R211-L213 VanDerWaalsContact C-N 3.34Å; R211-L213 PolarHBondContact O-N 3.09Å; R211-C244 PolarHBondContact NH1-O 2.92Å; R211-E245 PolarHBondContact NE-O 3.36Å; R211-E245 PolarHBondContact NH1-O 2.95Å; R211-E245 VanDerWaalsContact NH1-O 3.12Å; R211-L247 PolarHBondContact NH1-O 3.43Å; R211-L247 PolarHBondContact NH2-O 3.24Å; R211-M249 WeakPolarHBondContact O-CE 3.48Å; R211-M252 HydrophobicContact CB-CE 4.25Å; R211-M252 HydrophobicContact CG-CE 4.42Å; R211-F371 VanDerWaalsContact NE-CE1 3.29Å |
| 212 | N | 95.1 | Very high | 95.3 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 10% | 0.102 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -91.6 | 45.5 | -177.2 | -166.2 | 18.9 | 0 | 0 | 0 | 113.9 | Y208 P209 M249 S283 R336 | Y208-N212 HydrophobicContact CE2-CB 4.13Å; Y208-N212 VanDerWaalsContact O-CB 3.3Å; Y208-N212 WeakPolarHBondContact O-CB 3.45Å; Y208-N212 PolarHBondContact O-N 3.21Å; Y208-N212 PolarHBondContact OH-ND2 3.38Å; P209-N212 PolarHBondContact O-N 2.99Å; N212-M249 HydrophobicContact CB-CE 4.43Å; N212-M249 HydrophobicContact CB-SD 4.2Å; N212-M249 PolarHBondContact OD1-SD 3.39Å; N212-S283 PolarHBondContact ND2-OG 2.98Å; N212-R336 PolarHBondContact O-NH2 3.3Å; N212-R336 PolarHBondContact OD1-NH2 3.23Å |
| 213 | L | 94.6 | Very high | 95.2 | Very high | 50 Ų | 50 | 54.5 Ų | 54.5 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | trans | -89.2 | 152.7 | -179.7 | -55.2 | -179.5 | 0 | 0 | 0 | 112.7 | P209 R210 R211 Q217 R336 | P209-L213 WeakPolarHBondContact O-CD2 3.4Å; R210-L213 WeakPolarHBondContact O-CD1 3.5Å; R210-L213 WeakPolarHBondContact O-CG 3.39Å; R211-L213 VanDerWaalsContact C-N 3.34Å; R211-L213 PolarHBondContact O-N 3.09Å; L213-Q217 HydrophobicContact CB-CB 4.17Å; L213-Q217 HydrophobicContact CD1-CB 4.38Å; L213-R336 VanDerWaalsContact O-CZ 3.3Å; L213-R336 PolarHBondContact O-NE 3.29Å; L213-R336 PolarHBondContact O-NH2 3.41Å | ||
| 214 | P | 95.6 | Very high | 95.1 | Very high | 47 Ų | 47 | 54.1 Ų | 54.1 | 31% | 0.305 | 28% | 0.283 | S | S | . | . | trans | -70.8 | 158.3 | 172.7 | 30.2 | -35.4 | 0 | 0 | 0 | 111.6 | E216 Q217 W218 | P214-E216 PolarHBondContact O-N 3.47Å; P214-E216 VanDerWaalsContact O-N 3.12Å; P214-Q217 HydrophobicContact CG-CB 4.4Å; P214-Q217 HydrophobicContact CG-CG 3.98Å; P214-Q217 PolarHBondContact O-N 3.3Å; P214-W218 PolarHBondContact O-N 3.47Å | ||
| 215 | A | 95.9 | Very high | 95 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.9 | -29.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q217 W218 R219 E335 R336 F339 | A215-Q217 VanDerWaalsContact C-N 3.32Å; A215-Q217 PolarHBondContact O-N 3.3Å; A215-W218 PolarHBondContact O-N 3Å; A215-R219 WeakPolarHBondContact O-CG 3.43Å; A215-R219 PolarHBondContact O-N 3.47Å; A215-E335 HydrophobicContact CB-CB 3.87Å; A215-E335 WeakPolarHBondContact CB-O 3.42Å; A215-R336 HydrophobicContact CB-CG 4.34Å; A215-F339 HydrophobicContact CB-CB 4.21Å |
| 216 | E | 95.9 | Very high | 94.8 | Very high | 138 Ų | 138 | 50.5 Ų | 50.5 | 65% | 0.645 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.8 | -38.6 | 175.4 | -175.1 | 177.4 | -172.8 | 0 | 0 | 112.5 | P214 R219 S220 | P214-E216 PolarHBondContact O-N 3.47Å; P214-E216 VanDerWaalsContact O-N 3.12Å; E216-R219 PolarHBondContact O-N 2.91Å; E216-S220 PolarHBondContact O-N 3.3Å; E216-S220 PolarHBondContact O-OG 3.38Å |
| 217 | Q | 96.6 | Very high | 94.9 | Very high | 94 Ų | 94 | 50.7 Ų | 50.7 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -74.4 | -35.3 | 176.4 | -67.5 | -177.8 | 16.8 | 0 | 0 | 111.2 | L213 P214 A215 R219 S220 A221 | L213-Q217 HydrophobicContact CB-CB 4.17Å; L213-Q217 HydrophobicContact CD1-CB 4.38Å; P214-Q217 HydrophobicContact CG-CB 4.4Å; P214-Q217 HydrophobicContact CG-CG 3.98Å; P214-Q217 PolarHBondContact O-N 3.3Å; A215-Q217 VanDerWaalsContact C-N 3.32Å; A215-Q217 PolarHBondContact O-N 3.3Å; Q217-R219 VanDerWaalsContact C-N 3.32Å; Q217-R219 PolarHBondContact O-N 2.94Å; Q217-S220 PolarHBondContact O-N 2.94Å; Q217-A221 WeakPolarHBondContact O-CB 3.42Å; Q217-A221 PolarHBondContact O-N 2.98Å |
| 218 | W | 96.6 | Very high | 94.6 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 4% | 0.038 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 170.7 | -65.8 | -9.6 | 0 | 0 | 0 | 112.3 | P214 A215 A221 Q222 L223 R336 F339 L340 | P214-W218 PolarHBondContact O-N 3.47Å; A215-W218 PolarHBondContact O-N 3Å; W218-A221 PolarHBondContact O-N 3.28Å; W218-Q222 PolarHBondContact O-N 3.45Å; W218-Q222 VanDerWaalsContact O-N 3.07Å; W218-L223 HydrophobicContact CB-CB 4.21Å; W218-L223 HydrophobicContact CB-CD2 4.01Å; W218-L223 HydrophobicContact CD2-CD2 3.91Å; W218-L223 HydrophobicContact CG-CD2 3.58Å; W218-L223 PolarHBondContact O-N 3.01Å; W218-R336 HydrophobicContact CE3-CB 4.45Å; W218-R336 HydrophobicContact CE3-CG 4.07Å; W218-R336 HydrophobicContact CH2-CB 4.05Å; W218-R336 VanDerWaalsContact CH2-CD 3.42Å; W218-R336 HydrophobicContact CH2-CG 3.64Å; W218-R336 HydrophobicContact CZ2-CG 4.36Å; W218-R336 HydrophobicContact CZ3-CB 3.63Å; W218-R336 HydrophobicContact CZ3-CG 3.47Å; W218-R336 VanDerWaalsContact CZ3-CG 3.47Å; W218-F339 HydrophobicContact CB-CD1 4.17Å; W218-F339 HydrophobicContact CB-CD2 4.45Å; W218-F339 HydrophobicContact CB-CE1 3.84Å; W218-F339 HydrophobicContact CB-CE2 4.14Å; W218-F339 HydrophobicContact CB-CG 4.45Å; W218-F339 HydrophobicContact CB-CZ 3.82Å; W218-F339 HydrophobicContact CD2-CD1 4.39Å; W218-F339 HydrophobicContact CD2-CE1 4.5Å; W218-F339 AromaticContact CE3-CD1 3.52Å; W218-F339 HydrophobicContact CE3-CD1 3.52Å; W218-F339 HydrophobicContact CE3-CE1 4.01Å; W218-F339 HydrophobicContact CE3-CG 4.19Å; W218-F339 HydrophobicContact CZ3-CD1 4.26Å; W218-L340 HydrophobicContact CZ3-CD1 4.23Å; W218-L340 HydrophobicContact CZ3-CD2 4.37Å; W218-L340 HydrophobicContact CZ3-CG 4.11Å |
| 219 | R | 95.8 | Very high | 94.2 | Very high | 108 Ų | 108 | 56.2 Ų | 56.2 | 41% | 0.408 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 173.2 | -76.1 | -176 | -77.2 | -99.3 | 7.1 | 112 | A215 E216 Q217 A221 Q222 E335 F339 | A215-R219 WeakPolarHBondContact O-CG 3.43Å; A215-R219 PolarHBondContact O-N 3.47Å; E216-R219 PolarHBondContact O-N 2.91Å; Q217-R219 VanDerWaalsContact C-N 3.32Å; Q217-R219 PolarHBondContact O-N 2.94Å; R219-A221 PolarHBondContact O-N 3.11Å; R219-Q222 PolarHBondContact O-N 3.42Å; R219-E335 IonicContact NH2-OE2 3.15Å; R219-F339 HydrophobicContact CB-CE2 4.38Å; R219-F339 HydrophobicContact CG-CD2 3.47Å; R219-F339 VanDerWaalsContact CG-CD2 3.47Å; R219-F339 HydrophobicContact CG-CE2 3.64Å |
| 220 | S | 95.2 | Very high | 93.8 | Very high | 99 Ų | 99 | 58.6 Ų | 58.6 | 69% | 0.692 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.8 | -34.5 | 179.2 | -57 | 0 | 0 | 0 | 0 | 112.2 | E216 Q217 Q222 | E216-S220 PolarHBondContact O-N 3.3Å; E216-S220 PolarHBondContact O-OG 3.38Å; Q217-S220 PolarHBondContact O-N 2.94Å; S220-Q222 VanDerWaalsContact C-N 3.34Å |
| 221 | A | 93.8 | Very high | 93.6 | Very high | 76 Ų | 76 | 58.7 Ų | 58.7 | 63% | 0.628 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q217 W218 R219 L223 | Q217-A221 WeakPolarHBondContact O-CB 3.42Å; Q217-A221 PolarHBondContact O-N 2.98Å; W218-A221 PolarHBondContact O-N 3.28Å; R219-A221 PolarHBondContact O-N 3.11Å; A221-L223 PolarHBondContact O-N 2.9Å |
| 222 | Q | 93.6 | Very high | 93.3 | Very high | 111 Ų | 111 | 60 Ų | 60 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 40.9 | -173.3 | -58.3 | -178.9 | -61 | 0 | 0 | 112.9 | W218 R219 S220 L224 S225 S228 | W218-Q222 PolarHBondContact O-N 3.45Å; W218-Q222 VanDerWaalsContact O-N 3.07Å; R219-Q222 PolarHBondContact O-N 3.42Å; S220-Q222 VanDerWaalsContact C-N 3.34Å; Q222-L224 PolarHBondContact O-N 2.62Å; Q222-S225 WeakPolarHBondContact O-CB 3.4Å; Q222-S225 PolarHBondContact O-N 2.67Å; Q222-S225 VanDerWaalsContact O-N 3.07Å; Q222-S228 VanDerWaalsContact OE1-CB 3.29Å |
| 223 | L | 94.1 | Very high | 93 | Very high | 41 Ų | 41 | 61.8 Ų | 61.8 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 132.4 | -173.2 | -176.6 | 61.4 | 0 | 0 | 0 | 111.4 | W218 A221 S225 F339 M367 F371 | W218-L223 HydrophobicContact CB-CB 4.21Å; W218-L223 HydrophobicContact CB-CD2 4.01Å; W218-L223 HydrophobicContact CD2-CD2 3.91Å; W218-L223 HydrophobicContact CG-CD2 3.58Å; W218-L223 PolarHBondContact O-N 3.01Å; A221-L223 PolarHBondContact O-N 2.9Å; L223-S225 PolarHBondContact O-N 3.04Å; L223-F339 HydrophobicContact CB-CE1 4.32Å; L223-F339 HydrophobicContact CB-CZ 4.06Å; L223-F339 WeakPolarHBondContact O-CZ 3.31Å; L223-M367 HydrophobicContact CD1-CE 4.24Å; L223-F371 HydrophobicContact CD2-CD2 4.44Å; L223-F371 HydrophobicContact CD2-CE2 3.92Å; L223-F371 HydrophobicContact CG-CE2 4.41Å |
| 224 | L | 94.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | -2.1 | -177 | -54.8 | 167.7 | 0 | 0 | 0 | 116.4 | Q222 L226 L340 A343 F364 M367 A368 F371 | Q222-L224 PolarHBondContact O-N 2.62Å; L224-L226 PolarHBondContact O-N 2.85Å; L224-L340 HydrophobicContact CD1-CD2 4.36Å; L224-A343 HydrophobicContact CD1-CB 4.48Å; L224-F364 HydrophobicContact CD2-CB 4.26Å; L224-F364 HydrophobicContact CD2-CG 4.38Å; L224-M367 HydrophobicContact CD2-CB 3.83Å; L224-M367 HydrophobicContact CD2-CE 4.45Å; L224-A368 HydrophobicContact CD1-CB 3.83Å; L224-A368 HydrophobicContact CD2-CB 4.27Å; L224-F371 HydrophobicContact CD1-CD2 4.34Å |
| 225 | S | 94.1 | Very high | 92.7 | Very high | 21 Ų | 21 | 67.6 Ų | 67.6 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | trans | -75.8 | 124 | 179.3 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | Q222 L223 L227 S228 E346 | Q222-S225 WeakPolarHBondContact O-CB 3.4Å; Q222-S225 PolarHBondContact O-N 2.67Å; Q222-S225 VanDerWaalsContact O-N 3.07Å; L223-S225 PolarHBondContact O-N 3.04Å; S225-L227 PolarHBondContact OG-N 3.4Å; S225-S228 PolarHBondContact O-OG 2.94Å; S225-S228 PolarHBondContact OG-N 3.13Å; S225-E346 WeakPolarHBondContact CA-OE1 3.47Å; S225-E346 WeakPolarHBondContact CB-OE1 3.35Å; S225-E346 PolarHBondContact OG-OE1 3.24Å | ||
| 226 | L | 92 | Very high | 92.5 | Very high | 6 Ų | 6 | 69.8 Ų | 69.8 | 3% | 0.031 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -82.8 | -15.8 | 171.3 | -63.1 | -177.7 | 0 | 0 | 0 | 112.7 | L224 L347 V350 L351 K361 F364 | L224-L226 PolarHBondContact O-N 2.85Å; L226-L347 HydrophobicContact CD1-CD1 3.62Å; L226-L347 HydrophobicContact CD2-CD1 4.45Å; L226-L347 HydrophobicContact CG-CD1 3.81Å; L226-V350 HydrophobicContact CB-CG1 4.24Å; L226-V350 HydrophobicContact CD1-CB 4.26Å; L226-V350 HydrophobicContact CD1-CG1 3.78Å; L226-L351 HydrophobicContact CD1-CD2 4.03Å; L226-L351 HydrophobicContact CD1-CG 4.27Å; L226-K361 HydrophobicContact CD2-CB 4.24Å; L226-K361 HydrophobicContact CD2-CD 3.78Å; L226-K361 HydrophobicContact CD2-CG 3.74Å; L226-F364 HydrophobicContact CD2-CD2 3.58Å; L226-F364 HydrophobicContact CD2-CE2 3.82Å; L226-F364 HydrophobicContact CG-CD2 4.48Å |
| 227 | L | 92.1 | Very high | 92 | Very high | 92 Ų | 92 | 64 Ų | 64 | 48% | 0.482 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -95.5 | -11.3 | -176.2 | -57.8 | -179.8 | 0 | 0 | 0 | 113.1 | S225 T229 P230 E346 V350 | S225-L227 PolarHBondContact OG-N 3.4Å; L227-T229 VanDerWaalsContact C-N 3.31Å; L227-T229 PolarHBondContact O-N 3.26Å; L227-P230 WeakPolarHBondContact O-CD 3.43Å; L227-E346 HydrophobicContact CD1-CG 4.04Å; L227-V350 HydrophobicContact CD1-CG2 4.2Å; L227-V350 HydrophobicContact CD2-CG2 4.02Å; L227-V350 HydrophobicContact CG-CG2 4.1Å |
| 228 | S | 89.6 | Confident | 91.1 | Very high | 43 Ų | 43 | 62.2 Ų | 62.2 | 30% | 0.301 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -56.3 | -44.1 | 176.9 | 58 | 0 | 0 | 0 | 0 | 112.4 | Q222 S225 | Q222-S228 VanDerWaalsContact OE1-CB 3.29Å; S225-S228 PolarHBondContact O-OG 2.94Å; S225-S228 PolarHBondContact OG-N 3.13Å |
| 229 | T | 88.3 | Confident | 90.5 | Very high | 74 Ų | 74 | 63.6 Ų | 63.6 | 45% | 0.454 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -133.3 | 83.1 | 179.5 | -48.4 | 0 | 0 | 0 | 0 | 109.7 | L227 A231 S232 | L227-T229 VanDerWaalsContact C-N 3.31Å; L227-T229 PolarHBondContact O-N 3.26Å; T229-A231 PolarHBondContact O-N 3.43Å; T229-A231 VanDerWaalsContact O-N 3.13Å; T229-S232 WeakPolarHBondContact CB-OG 3.26Å; T229-S232 WeakPolarHBondContact CG2-OG 3.45Å; T229-S232 PolarHBondContact O-N 2.96Å; T229-S232 PolarHBondContact O-OG 3.47Å |
| 230 | P | 87.4 | Confident | 89.7 | Confident | 90 Ų | 90 | 64.3 Ų | 64.3 | 58% | 0.584 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -59.5 | -29.3 | -173.7 | -26.9 | 35.9 | 0 | 0 | 0 | 114.1 | L227 S232 M233 | L227-P230 WeakPolarHBondContact O-CD 3.43Å; P230-S232 VanDerWaalsContact C-N 3.27Å; P230-S232 PolarHBondContact O-N 3.23Å; P230-M233 VanDerWaalsContact O-CB 3.26Å; P230-M233 WeakPolarHBondContact O-CB 3.34Å; P230-M233 PolarHBondContact O-N 2.81Å |
| 231 | A | 89.5 | Confident | 89.4 | Confident | 96 Ų | 96 | 60.7 Ų | 60.7 | 79% | 0.793 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -63.8 | -30.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | T229 M233 | T229-A231 PolarHBondContact O-N 3.43Å; T229-A231 VanDerWaalsContact O-N 3.13Å; A231-M233 VanDerWaalsContact C-N 3.35Å |
| 232 | S | 88.5 | Confident | 89.2 | Confident | 37 Ų | 37 | 57.2 Ų | 57.2 | 26% | 0.259 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -96.2 | 17.3 | 179.9 | 61.7 | 0 | 0 | 0 | 0 | 113.1 | T229 P230 L234 D235 K361 | T229-S232 WeakPolarHBondContact CB-OG 3.26Å; T229-S232 WeakPolarHBondContact CG2-OG 3.45Å; T229-S232 PolarHBondContact O-N 2.96Å; T229-S232 PolarHBondContact O-OG 3.47Å; P230-S232 VanDerWaalsContact C-N 3.27Å; P230-S232 PolarHBondContact O-N 3.23Å; S232-L234 VanDerWaalsContact C-N 3.27Å; S232-L234 PolarHBondContact O-N 3.41Å; S232-D235 VanDerWaalsContact CA-OD2 3.23Å; S232-D235 WeakPolarHBondContact CA-OD2 3.47Å; S232-D235 WeakPolarHBondContact CB-OD2 3.33Å; S232-D235 PolarHBondContact O-N 2.94Å; S232-K361 PolarHBondContact O-NZ 3.4Å |
| 233 | M | 89.6 | Confident | 89.1 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 29% | 0.286 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -66 | -31.8 | -178.3 | -169.7 | 172.4 | 70.1 | 0 | 0 | 112 | P230 A231 L357 K361 | P230-M233 VanDerWaalsContact O-CB 3.26Å; P230-M233 WeakPolarHBondContact O-CB 3.34Å; P230-M233 PolarHBondContact O-N 2.81Å; A231-M233 VanDerWaalsContact C-N 3.35Å; M233-L357 HydrophobicContact CE-CD1 4.37Å; M233-L357 HydrophobicContact CG-CD1 3.83Å; M233-L357 HydrophobicContact CG-CD2 3.84Å; M233-L357 WeakPolarHBondContact O-CD2 3.28Å; M233-L357 HydrophobicContact SD-CD1 3.82Å; M233-K361 WeakPolarHBondContact O-CE 3.47Å |
| 234 | L | 91.2 | Very high | 89.1 | Confident | 131 Ų | 131 | 50.2 Ų | 50.2 | 69% | 0.686 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -85 | -18.4 | 176.4 | -62.4 | 179 | 0 | 0 | 0 | 113.4 | S232 L357 | S232-L234 VanDerWaalsContact C-N 3.27Å; S232-L234 PolarHBondContact O-N 3.41Å; L234-L357 HydrophobicContact CD2-CD2 4.22Å |
| 235 | D | 92.5 | Very high | 89.2 | Confident | 88 Ų | 88 | 51 Ų | 51 | 47% | 0.471 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -66.3 | 138.2 | -178.9 | -61.4 | -21.7 | 0 | 0 | 0 | 110.1 | S232 A237 K361 | S232-D235 VanDerWaalsContact CA-OD2 3.23Å; S232-D235 WeakPolarHBondContact CA-OD2 3.47Å; S232-D235 WeakPolarHBondContact CB-OD2 3.33Å; S232-D235 PolarHBondContact O-N 2.94Å; D235-A237 PolarHBondContact O-N 3.24Å; D235-K361 VanDerWaalsContact O-CE 3.28Å; D235-K361 WeakPolarHBondContact O-CE 3.21Å; D235-K361 PolarHBondContact O-NZ 3.45Å |
| 236 | P | 90.8 | Very high | 89.2 | Confident | 49 Ų | 49 | 50.3 Ų | 50.3 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | trans | -63.4 | 136.1 | 175.8 | 27.4 | -34.1 | 0 | 0 | 0 | 110.5 | C238 P360 Y428 | P236-C238 VanDerWaalsContact C-N 3.3Å; P236-C238 PolarHBondContact O-N 3.12Å; P236-P360 WeakPolarHBondContact CA-O 3.43Å; P236-Y428 HydrophobicContact CB-CE2 3.96Å; P236-Y428 HydrophobicContact CG-CE2 4.06Å | ||
| 237 | A | 86.6 | Confident | 89.5 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 12% | 0.124 | 30% | 0.301 | C | S | . | . | trans | -73.5 | 87.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | D235 P360 K361 L363 F364 | D235-A237 PolarHBondContact O-N 3.24Å; A237-P360 PolarHBondContact N-O 3.3Å; A237-K361 HydrophobicContact CB-CD 4.17Å; A237-L363 HydrophobicContact CB-CB 4.22Å; A237-L363 HydrophobicContact CB-CD2 4.46Å; A237-L363 WeakPolarHBondContact O-CD2 3.45Å; A237-F364 HydrophobicContact CB-CD1 3.82Å; A237-F364 HydrophobicContact CB-CE1 3.7Å; A237-F364 HydrophobicContact CB-CZ 4.47Å | ||
| 238 | C | 77.9 | Confident | 89.7 | Confident | 57 Ų | 57 | 46 Ų | 46 | 39% | 0.385 | 28% | 0.279 | S | S | . | . | trans | -108.4 | 147.8 | 178.1 | -67.3 | 0 | 0 | 0 | 0 | 111.3 | P236 | P236-C238 VanDerWaalsContact C-N 3.3Å; P236-C238 PolarHBondContact O-N 3.12Å | ||
| 239 | C | 83.1 | Confident | 89.9 | Confident | 40 Ų | 40 | 44.4 Ų | 44.4 | 27% | 0.27 | 27% | 0.267 | S | S | . | . | trans | -147.3 | 161.1 | 169.1 | 73.7 | 0 | 0 | 0 | 0 | 109.7 | T241 M242 E245 | C239-T241 PolarHBondContact O-N 3.48Å; C239-T241 VanDerWaalsContact O-N 3.16Å; C239-M242 PolarHBondContact N-SD 3.36Å; C239-M242 WeakPolarHBondContact O-CG 3.35Å; C239-M242 WeakPolarHBondContact SG-CA 3.38Å; C239-M242 PolarHBondContact SG-N 3.03Å; C239-E245 WeakPolarHBondContact SG-CG 3.45Å | ||
| 240 | E | 79 | Confident | 90.1 | Very high | 122 Ų | 122 | 41.6 Ų | 41.6 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18.5 | -178.6 | -56.2 | -166 | 143.6 | 0 | 0 | 113.3 | K509 | E240-K509 HydrophobicContact CB-CD 4.13Å; E240-K509 HydrophobicContact CB-CG 4.29Å; E240-K509 HydrophobicContact CG-CD 4.26Å; E240-K509 IonicContact OE1-NZ 3.18Å; E240-K509 PolarHBondContact OE1-NZ 3.01Å; E240-K509 WeakPolarHBondContact OE2-CE 3.35Å; E240-K509 IonicContact OE2-NZ 3.16Å; E240-K509 PolarHBondContact OE2-NZ 3.22Å; E240-K509 VanDerWaalsContact OE2-NZ 3.13Å |
| 241 | T | 88.6 | Confident | 90.5 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | 55.1 | -176.2 | 58.8 | 0 | 0 | 0 | 0 | 112 | R210 C239 A243 C244 E245 | R210-T241 PolarHBondContact NH2-OG1 3.22Å; R210-T241 VanDerWaalsContact NH2-OG1 3.11Å; C239-T241 PolarHBondContact O-N 3.48Å; C239-T241 VanDerWaalsContact O-N 3.16Å; T241-A243 VanDerWaalsContact C-N 3.33Å; T241-A243 PolarHBondContact O-N 2.7Å; T241-C244 WeakPolarHBondContact O-CA 3.47Å; T241-C244 VanDerWaalsContact O-CB 3.29Å; T241-C244 WeakPolarHBondContact O-CB 3.36Å; T241-C244 PolarHBondContact O-N 3.15Å; T241-E245 PolarHBondContact O-N 2.94Å; T241-E245 PolarHBondContact OG1-OE1 3.27Å |
| 242 | M | 90.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -45.5 | -52.5 | -173.4 | -66.5 | -69 | -88.1 | 0 | 0 | 113.4 | C239 C244 E245 Y246 L363 M513 F516 | C239-M242 PolarHBondContact N-SD 3.36Å; C239-M242 WeakPolarHBondContact O-CG 3.35Å; C239-M242 WeakPolarHBondContact SG-CA 3.38Å; C239-M242 PolarHBondContact SG-N 3.03Å; M242-C244 PolarHBondContact O-N 3.03Å; M242-E245 PolarHBondContact O-N 2.81Å; M242-E245 VanDerWaalsContact O-N 3.09Å; M242-Y246 WeakPolarHBondContact O-CD1 3.5Å; M242-Y246 VanDerWaalsContact O-CE1 3.31Å; M242-Y246 WeakPolarHBondContact O-CE1 3.45Å; M242-L363 HydrophobicContact CE-CD1 4.45Å; M242-L363 HydrophobicContact CE-CD2 4.05Å; M242-L363 HydrophobicContact SD-CD2 3.72Å; M242-M513 HydrophobicContact CG-CB 4.26Å; M242-M513 HydrophobicContact CG-CG 4.27Å; M242-F516 HydrophobicContact CB-CB 4.2Å; M242-F516 HydrophobicContact CE-CD1 3.43Å; M242-F516 VanDerWaalsContact CE-CD1 3.43Å; M242-F516 HydrophobicContact CE-CE1 3.8Å; M242-F516 HydrophobicContact CE-CG 4.17Å |
| 243 | A | 90.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.3 | -25.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F121 T241 E245 L247 | F121-A243 HydrophobicContact CD1-CB 3.65Å; F121-A243 HydrophobicContact CD2-CB 3.9Å; F121-A243 HydrophobicContact CE1-CB 3.45Å; F121-A243 VanDerWaalsContact CE1-CB 3.45Å; F121-A243 HydrophobicContact CE2-CB 3.7Å; F121-A243 HydrophobicContact CG-CB 3.88Å; F121-A243 HydrophobicContact CZ-CB 3.47Å; F121-A243 VanDerWaalsContact CZ-CB 3.47Å; T241-A243 VanDerWaalsContact C-N 3.33Å; T241-A243 PolarHBondContact O-N 2.7Å; A243-E245 VanDerWaalsContact C-N 3.32Å; A243-L247 PolarHBondContact O-N 2.92Å |
| 244 | C | 95.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -75.8 | -18.3 | 176.4 | -67.3 | 0 | 0 | 0 | 0 | 113 | V207 R211 T241 M242 | V207-C244 HydrophobicContact CG1-CB 3.83Å; V207-C244 HydrophobicContact CG2-CB 4.03Å; R211-C244 PolarHBondContact NH1-O 2.92Å; T241-C244 WeakPolarHBondContact O-CA 3.47Å; T241-C244 VanDerWaalsContact O-CB 3.29Å; T241-C244 WeakPolarHBondContact O-CB 3.36Å; T241-C244 PolarHBondContact O-N 3.15Å; M242-C244 PolarHBondContact O-N 3.03Å |
| 245 | E | 95.1 | Very high | 91.9 | Very high | 20 Ų | 20 | 26 Ų | 26 | 9% | 0.093 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -75.2 | -29.6 | -178.2 | -59.1 | -51 | 141.2 | 0 | 0 | 113 | R210 R211 C239 T241 M242 A243 L363 M367 F371 | R210-E245 IonicContact CZ-OE1 2.61Å; R210-E245 IonicContact CZ-OE2 2.65Å; R210-E245 VanDerWaalsContact NH1-CD 3.29Å; R210-E245 IonicContact NH1-OE1 3.31Å; R210-E245 PolarHBondContact NH1-OE1 3.35Å; R210-E245 IonicContact NH1-OE2 3.55Å; R210-E245 PolarHBondContact NH1-OE2 2.85Å; R210-E245 IonicContact NH2-OE1 3.64Å; R210-E245 PolarHBondContact NH2-OE1 3.41Å; R210-E245 IonicContact NH2-OE2 3.18Å; R211-E245 PolarHBondContact NE-O 3.36Å; R211-E245 PolarHBondContact NH1-O 2.95Å; R211-E245 VanDerWaalsContact NH1-O 3.12Å; C239-E245 WeakPolarHBondContact SG-CG 3.45Å; T241-E245 PolarHBondContact O-N 2.94Å; T241-E245 PolarHBondContact OG1-OE1 3.27Å; M242-E245 PolarHBondContact O-N 2.81Å; M242-E245 VanDerWaalsContact O-N 3.09Å; A243-E245 VanDerWaalsContact C-N 3.32Å; E245-L363 HydrophobicContact CB-CD1 4.23Å; E245-L363 HydrophobicContact CG-CD2 4.46Å; E245-M367 HydrophobicContact CB-CE 4.32Å; E245-M367 HydrophobicContact CB-CG 3.89Å; E245-M367 HydrophobicContact CB-SD 3.95Å; E245-F371 VanDerWaalsContact O-CE1 3.31Å; E245-F371 WeakPolarHBondContact O-CE1 3.4Å |
| 246 | Y | 95.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 3% | 0.027 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -113.1 | 5 | 177.8 | 61.2 | -96.7 | 0 | 0 | 0 | 113.1 | M242 S248 L363 M366 S370 F516 M527 T531 | M242-Y246 WeakPolarHBondContact O-CD1 3.5Å; M242-Y246 VanDerWaalsContact O-CE1 3.31Å; M242-Y246 WeakPolarHBondContact O-CE1 3.45Å; Y246-S248 PolarHBondContact O-N 2.85Å; Y246-L363 HydrophobicContact CD1-CD1 3.8Å; Y246-L363 HydrophobicContact CE1-CD1 4.22Å; Y246-M366 HydrophobicContact CD1-CB 4.3Å; Y246-M366 HydrophobicContact CG-CB 4.18Å; Y246-S370 WeakPolarHBondContact O-CB 3.39Å; Y246-S370 PolarHBondContact O-OG 3.02Å; Y246-F516 HydrophobicContact CD1-CE2 4.41Å; Y246-F516 AromaticContact CE1-CD2 3.56Å; Y246-F516 HydrophobicContact CE1-CD2 3.56Å; Y246-F516 AromaticContact CE1-CE2 3.84Å; Y246-F516 HydrophobicContact CE1-CE2 3.84Å; Y246-F516 AromaticContact CZ-CD2 3.99Å; Y246-M527 HydrophobicContact CD2-CE 3.97Å; Y246-M527 HydrophobicContact CE1-CE 4.1Å; Y246-M527 HydrophobicContact CE2-CE 3.46Å; Y246-M527 VanDerWaalsContact CE2-CE 3.46Å; Y246-M527 HydrophobicContact CE2-SD 4.26Å; Y246-T531 HydrophobicContact CD2-CG2 4.05Å; Y246-T531 HydrophobicContact CG-CG2 4.47Å |
| 247 | L | 96.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -59.6 | 131.2 | 169.6 | 177.9 | 63.4 | 0 | 0 | 0 | 109.5 | F121 R211 A243 M249 M252 W255 | F121-L247 HydrophobicContact CE2-CD2 4.25Å; R211-L247 PolarHBondContact NH1-O 3.43Å; R211-L247 PolarHBondContact NH2-O 3.24Å; A243-L247 PolarHBondContact O-N 2.92Å; L247-M249 PolarHBondContact O-N 3.22Å; L247-M252 HydrophobicContact CD2-CG 3.62Å; L247-M252 HydrophobicContact CD2-SD 3.78Å; L247-M252 HydrophobicContact CG-CG 4.01Å; L247-M252 HydrophobicContact CG-SD 4.29Å; L247-W255 HydrophobicContact CD1-CH2 3.89Å; L247-W255 HydrophobicContact CD1-CZ3 4.46Å; L247-W255 HydrophobicContact CD2-CH2 3.93Å; L247-W255 HydrophobicContact CD2-CZ3 3.72Å; L247-W255 HydrophobicContact CG-CH2 4.49Å |
| 248 | S | 96.8 | Very high | 93 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 3% | 0.028 | 10% | 0.099 | C | C | . | . | trans | -59.4 | 132.2 | -178.1 | 177.4 | 0 | 0 | 0 | 0 | 112 | Y246 E250 I251 M252 D374 | Y246-S248 PolarHBondContact O-N 2.85Å; S248-E250 VanDerWaalsContact C-N 3.29Å; S248-E250 PolarHBondContact OG-N 3.32Å; S248-I251 PolarHBondContact O-N 2.95Å; S248-I251 PolarHBondContact OG-N 3.42Å; S248-M252 PolarHBondContact O-N 3.34Å; S248-D374 WeakPolarHBondContact CA-OD2 3.35Å; S248-D374 PolarHBondContact OG-OD1 3.49Å | ||
| 249 | M | 94.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 16.4 Ų | 16.4 | 4% | 0.044 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 172.8 | -169.7 | -178.4 | -57.7 | 0 | 0 | 111.6 | Y208 R211 N212 L247 I251 M252 E253 R336 D374 | Y208-M249 HydrophobicContact CE2-CG 3.9Å; R211-M249 WeakPolarHBondContact O-CE 3.48Å; N212-M249 HydrophobicContact CB-CE 4.43Å; N212-M249 HydrophobicContact CB-SD 4.2Å; N212-M249 PolarHBondContact OD1-SD 3.39Å; L247-M249 PolarHBondContact O-N 3.22Å; M249-I251 VanDerWaalsContact C-N 3.35Å; M249-I251 PolarHBondContact O-N 2.98Å; M249-M252 PolarHBondContact O-N 3.36Å; M249-E253 WeakPolarHBondContact O-CB 3.14Å; M249-E253 WeakPolarHBondContact O-CG 3.47Å; M249-E253 PolarHBondContact O-N 2.86Å; M249-R336 PolarHBondContact SD-NH1 2.99Å; M249-R336 VanDerWaalsContact SD-NH1 3.39Å; M249-D374 WeakPolarHBondContact CB-OD2 3.34Å; M249-D374 PolarHBondContact N-OD2 3.3Å |
| 250 | E | 93.1 | Very high | 94.6 | Very high | 15 Ų | 15 | 14.5 Ų | 14.5 | 7% | 0.07 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | 178.5 | -170.4 | -80.5 | 163.2 | 0 | 0 | 111.5 | S248 E253 R254 | S248-E250 VanDerWaalsContact C-N 3.29Å; S248-E250 PolarHBondContact OG-N 3.32Å; E250-E253 WeakPolarHBondContact O-CB 3.5Å; E250-E253 PolarHBondContact O-N 3.3Å; E250-R254 WeakPolarHBondContact O-CB 3.16Å; E250-R254 PolarHBondContact O-N 3.44Å |
| 251 | I | 95.6 | Very high | 95.4 | Very high | 34 Ų | 34 | 8.7 Ų | 8.7 | 17% | 0.174 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -64.8 | -45.6 | 177.5 | -66.9 | 178.1 | 0 | 0 | 0 | 110.6 | S248 M249 E253 R254 W255 | S248-I251 PolarHBondContact O-N 2.95Å; S248-I251 PolarHBondContact OG-N 3.42Å; M249-I251 VanDerWaalsContact C-N 3.35Å; M249-I251 PolarHBondContact O-N 2.98Å; I251-E253 VanDerWaalsContact C-N 3.35Å; I251-E253 PolarHBondContact O-N 3.02Å; I251-R254 WeakPolarHBondContact O-CB 3.26Å; I251-R254 PolarHBondContact O-N 3.24Å; I251-W255 HydrophobicContact CG2-CD2 3.9Å; I251-W255 HydrophobicContact CG2-CE3 4.44Å; I251-W255 HydrophobicContact CG2-CH2 3.87Å; I251-W255 HydrophobicContact CG2-CZ2 3.22Å; I251-W255 HydrophobicContact CG2-CZ3 4.44Å; I251-W255 VanDerWaalsContact O-CG 3.26Å; I251-W255 PolarHBondContact O-N 3.04Å |
| 252 | M | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 176.1 | -70.9 | -173.4 | -74.9 | 0 | 0 | 112 | L204 V207 Y208 R211 L247 S248 M249 R254 W255 I256 | L204-M252 HydrophobicContact CD2-CG 4.19Å; L204-M252 HydrophobicContact CD2-SD 4.31Å; V207-M252 HydrophobicContact CG1-SD 3.89Å; Y208-M252 HydrophobicContact CD2-CB 3.87Å; Y208-M252 HydrophobicContact CD2-CE 4.25Å; Y208-M252 HydrophobicContact CD2-SD 4.37Å; Y208-M252 HydrophobicContact CE2-CB 4.48Å; R211-M252 HydrophobicContact CB-CE 4.25Å; R211-M252 HydrophobicContact CG-CE 4.42Å; L247-M252 HydrophobicContact CD2-CG 3.62Å; L247-M252 HydrophobicContact CD2-SD 3.78Å; L247-M252 HydrophobicContact CG-CG 4.01Å; L247-M252 HydrophobicContact CG-SD 4.29Å; S248-M252 PolarHBondContact O-N 3.34Å; M249-M252 PolarHBondContact O-N 3.36Å; M252-R254 VanDerWaalsContact C-N 3.32Å; M252-R254 PolarHBondContact O-N 3.16Å; M252-W255 HydrophobicContact CG-CE3 4.26Å; M252-W255 HydrophobicContact CG-CZ3 4.2Å; M252-W255 PolarHBondContact O-N 3.46Å; M252-I256 WeakPolarHBondContact O-CB 3.46Å; M252-I256 WeakPolarHBondContact O-CD1 3.49Å; M252-I256 VanDerWaalsContact O-CG1 3.24Å; M252-I256 WeakPolarHBondContact O-CG1 3.49Å; M252-I256 PolarHBondContact O-N 3.42Å |
| 253 | E | 96.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 7.5 Ų | 7.5 | 3% | 0.028 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -58.2 | -45.4 | 174.6 | -80.7 | 173.6 | -173.1 | 0 | 0 | 111.8 | Y208 M249 E250 I251 I256 I257 S283 L287 | Y208-E253 HydrophobicContact CE2-CG 3.57Å; Y208-E253 WeakPolarHBondContact OH-CG 3.32Å; Y208-E253 PolarHBondContact OH-OE1 3.2Å; M249-E253 WeakPolarHBondContact O-CB 3.14Å; M249-E253 WeakPolarHBondContact O-CG 3.47Å; M249-E253 PolarHBondContact O-N 2.86Å; E250-E253 WeakPolarHBondContact O-CB 3.5Å; E250-E253 PolarHBondContact O-N 3.3Å; I251-E253 VanDerWaalsContact C-N 3.35Å; I251-E253 PolarHBondContact O-N 3.02Å; E253-I256 PolarHBondContact O-N 3.27Å; E253-I257 WeakPolarHBondContact O-CB 3.38Å; E253-I257 WeakPolarHBondContact O-CD1 3.36Å; E253-I257 WeakPolarHBondContact O-CG1 3.24Å; E253-I257 PolarHBondContact O-N 3.21Å; E253-S283 WeakPolarHBondContact OE1-CB 3.43Å; E253-L287 HydrophobicContact CB-CD2 4.1Å |
| 254 | R | 96.4 | Very high | 96.1 | Very high | 41 Ų | 41 | 9 Ų | 9 | 16% | 0.155 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 178.7 | -170.4 | 176.3 | 64.5 | -173.1 | -0.9 | 111.5 | S132 E250 I251 M252 I258 L287 | S132-R254 WeakPolarHBondContact OG-CD 3.5Å; S132-R254 WeakPolarHBondContact OG-CG 3.5Å; S132-R254 PolarHBondContact OG-NE 3.35Å; S132-R254 VanDerWaalsContact OG-NE 3.1Å; E250-R254 WeakPolarHBondContact O-CB 3.16Å; E250-R254 PolarHBondContact O-N 3.44Å; I251-R254 WeakPolarHBondContact O-CB 3.26Å; I251-R254 PolarHBondContact O-N 3.24Å; M252-R254 VanDerWaalsContact C-N 3.32Å; M252-R254 PolarHBondContact O-N 3.16Å; R254-I258 HydrophobicContact CG-CD1 3.7Å; R254-I258 HydrophobicContact CG-CG1 4.35Å; R254-I258 VanDerWaalsContact O-CB 3.32Å; R254-I258 WeakPolarHBondContact O-CB 3.26Å; R254-I258 WeakPolarHBondContact O-CG1 3.11Å; R254-I258 PolarHBondContact O-N 3.37Å; R254-L287 HydrophobicContact CB-CD1 4.46Å; R254-L287 HydrophobicContact CB-CD2 4.35Å; R254-L287 HydrophobicContact CG-CD1 4.43Å |
| 255 | W | 98.1 | Very high | 96 | Very high | 4 Ų | 4 | 11 Ų | 11 | 2% | 0.015 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.7 | -48.8 | 174.9 | -61.7 | -24 | 0 | 0 | 0 | 111.8 | I117 K125 L128 D129 L201 L204 L247 I251 M252 G259 | I117-W255 HydrophobicContact CD1-CZ3 4.34Å; K125-W255 HydrophobicContact CB-CH2 4.13Å; K125-W255 HydrophobicContact CG-CH2 3.76Å; K125-W255 HydrophobicContact CG-CZ2 3.85Å; L128-W255 HydrophobicContact CB-CB 4.37Å; L128-W255 HydrophobicContact CB-CD2 3.67Å; L128-W255 HydrophobicContact CB-CE3 4.2Å; L128-W255 HydrophobicContact CB-CG 3.76Å; L128-W255 HydrophobicContact CB-CZ2 4.35Å; L128-W255 HydrophobicContact CD1-CB 4.45Å; L128-W255 HydrophobicContact CD1-CD2 3.94Å; L128-W255 HydrophobicContact CD1-CE3 3.63Å; L128-W255 HydrophobicContact CD1-CG 4.34Å; L128-W255 HydrophobicContact CD1-CZ3 4.1Å; L128-W255 HydrophobicContact CG-CD2 4.45Å; D129-W255 VanDerWaalsContact OD1-CE2 3.3Å; D129-W255 WeakPolarHBondContact OD1-CZ2 3.39Å; D129-W255 PolarHBondContact OD1-NE1 3.01Å; L201-W255 HydrophobicContact CD2-CB 4.17Å; L201-W255 VanDerWaalsContact CD2-O 3.27Å; L201-W255 WeakPolarHBondContact CD2-O 3.38Å; L204-W255 HydrophobicContact CD1-CB 4.43Å; L204-W255 HydrophobicContact CD1-CE3 4.05Å; L204-W255 HydrophobicContact CD2-CE3 4.03Å; L204-W255 HydrophobicContact CD2-CZ3 4.05Å; L247-W255 HydrophobicContact CD1-CH2 3.89Å; L247-W255 HydrophobicContact CD1-CZ3 4.46Å; L247-W255 HydrophobicContact CD2-CH2 3.93Å; L247-W255 HydrophobicContact CD2-CZ3 3.72Å; L247-W255 HydrophobicContact CG-CH2 4.49Å; I251-W255 HydrophobicContact CG2-CD2 3.9Å; I251-W255 HydrophobicContact CG2-CE3 4.44Å; I251-W255 HydrophobicContact CG2-CH2 3.87Å; I251-W255 HydrophobicContact CG2-CZ2 3.22Å; I251-W255 HydrophobicContact CG2-CZ3 4.44Å; I251-W255 VanDerWaalsContact O-CG 3.26Å; I251-W255 PolarHBondContact O-N 3.04Å; M252-W255 HydrophobicContact CG-CE3 4.26Å; M252-W255 HydrophobicContact CG-CZ3 4.2Å; M252-W255 PolarHBondContact O-N 3.46Å; W255-G259 VanDerWaalsContact O-CA 3.24Å; W255-G259 WeakPolarHBondContact O-CA 3.32Å; W255-G259 PolarHBondContact O-N 2.8Å |
| 256 | I | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.5 | -48.8 | -178.7 | -68.7 | 164.5 | 0 | 0 | 0 | 110.8 | L204 Y208 M252 E253 F260 L276 A280 | L204-I256 HydrophobicContact CD1-CD1 4.18Å; L204-I256 HydrophobicContact CD1-CG1 3.7Å; Y208-I256 HydrophobicContact CD1-CD1 3.38Å; Y208-I256 HydrophobicContact CD2-CD1 4.25Å; Y208-I256 HydrophobicContact CE1-CD1 3.87Å; Y208-I256 HydrophobicContact CG-CD1 3.63Å; M252-I256 WeakPolarHBondContact O-CB 3.46Å; M252-I256 WeakPolarHBondContact O-CD1 3.49Å; M252-I256 VanDerWaalsContact O-CG1 3.24Å; M252-I256 WeakPolarHBondContact O-CG1 3.49Å; M252-I256 PolarHBondContact O-N 3.42Å; E253-I256 PolarHBondContact O-N 3.27Å; I256-F260 HydrophobicContact CG2-CD2 3.85Å; I256-F260 HydrophobicContact CG2-CE2 4Å; I256-F260 WeakPolarHBondContact O-CB 3.32Å; I256-F260 WeakPolarHBondContact O-CD2 3.35Å; I256-F260 PolarHBondContact O-N 3.19Å; I256-F260 VanDerWaalsContact O-N 3.14Å; I256-L276 HydrophobicContact CD1-CD1 3.89Å; I256-L276 HydrophobicContact CD1-CD2 4.4Å; I256-L276 HydrophobicContact CD1-CG 4.01Å; I256-L276 HydrophobicContact CG1-CD2 4.35Å; I256-L276 HydrophobicContact CG1-CG 4.25Å; I256-L276 HydrophobicContact CG2-CG 4.16Å; I256-A280 HydrophobicContact CB-CB 4.08Å; I256-A280 HydrophobicContact CG2-CB 3.56Å |
| 257 | I | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -71 | -55 | -175.1 | -68.3 | 159.9 | 0 | 0 | 0 | 110.6 | E253 L261 A280 L287 I297 | E253-I257 WeakPolarHBondContact O-CB 3.38Å; E253-I257 WeakPolarHBondContact O-CD1 3.36Å; E253-I257 WeakPolarHBondContact O-CG1 3.24Å; E253-I257 PolarHBondContact O-N 3.21Å; I257-L261 HydrophobicContact CG2-CD1 4.28Å; I257-L261 VanDerWaalsContact O-CG 3.25Å; I257-L261 WeakPolarHBondContact O-CG 3.4Å; I257-L261 PolarHBondContact O-N 3.46Å; I257-L261 VanDerWaalsContact O-N 3.13Å; I257-A280 HydrophobicContact CD1-CB 4.05Å; I257-A280 HydrophobicContact CG1-CB 3.8Å; I257-L287 HydrophobicContact CB-CD1 3.79Å; I257-L287 HydrophobicContact CD1-CD1 3.72Å; I257-L287 HydrophobicContact CD1-CD2 4.13Å; I257-L287 HydrophobicContact CD1-CG 4.1Å; I257-L287 HydrophobicContact CG1-CD1 4.36Å; I257-L287 HydrophobicContact CG2-CD1 3.8Å; I257-I297 HydrophobicContact CD1-CD1 3.64Å; I257-I297 HydrophobicContact CD1-CG2 4.35Å; I257-I297 HydrophobicContact CG2-CB 4.1Å; I257-I297 HydrophobicContact CG2-CG2 3.98Å |
| 258 | I | 97.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.1 | -45.7 | -177.8 | -63.8 | -177.7 | 0 | 0 | 0 | 109.9 | A135 W183 R254 F260 L261 L262 L289 | A135-I258 HydrophobicContact CB-CG2 3.61Å; W183-I258 HydrophobicContact CH2-CG1 4.49Å; W183-I258 HydrophobicContact CH2-CG2 4.37Å; R254-I258 HydrophobicContact CG-CD1 3.7Å; R254-I258 HydrophobicContact CG-CG1 4.35Å; R254-I258 VanDerWaalsContact O-CB 3.32Å; R254-I258 WeakPolarHBondContact O-CB 3.26Å; R254-I258 WeakPolarHBondContact O-CG1 3.11Å; R254-I258 PolarHBondContact O-N 3.37Å; I258-F260 PolarHBondContact O-N 3.46Å; I258-L261 WeakPolarHBondContact O-CB 3.48Å; I258-L261 PolarHBondContact O-N 3.26Å; I258-L261 VanDerWaalsContact O-N 3.11Å; I258-L262 HydrophobicContact CG2-CD1 4.05Å; I258-L262 HydrophobicContact CG2-CG 4.24Å; I258-L262 WeakPolarHBondContact O-CG 3.41Å; I258-L262 PolarHBondContact O-N 3.32Å; I258-L289 HydrophobicContact CD1-CD2 4.47Å |
| 259 | G | 97.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 5% | 0.052 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.3 | -46.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | W255 L261 L262 C263 | W255-G259 VanDerWaalsContact O-CA 3.24Å; W255-G259 WeakPolarHBondContact O-CA 3.32Å; W255-G259 PolarHBondContact O-N 2.8Å; G259-L261 VanDerWaalsContact C-N 3.33Å; G259-L261 PolarHBondContact O-N 3.08Å; G259-L262 PolarHBondContact O-N 3.46Å; G259-C263 PolarHBondContact O-N 3.46Å; G259-C263 PolarHBondContact O-SG 3.08Å |
| 260 | F | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -73.1 | -21.9 | 176.2 | -74.8 | -51.7 | 0 | 0 | 0 | 114 | L201 L202 I256 I258 C263 H264 L267 S273 L276 W277 | L201-F260 HydrophobicContact CB-CE1 4.07Å; L201-F260 HydrophobicContact CB-CE2 4.14Å; L201-F260 HydrophobicContact CB-CZ 3.69Å; L201-F260 HydrophobicContact CD1-CD1 3.71Å; L201-F260 HydrophobicContact CD1-CD2 4.15Å; L201-F260 HydrophobicContact CD1-CE1 3.75Å; L201-F260 HydrophobicContact CD1-CE2 4.2Å; L201-F260 HydrophobicContact CD1-CG 3.9Å; L201-F260 HydrophobicContact CD1-CZ 4Å; L202-F260 HydrophobicContact CD2-CZ 4.42Å; I256-F260 HydrophobicContact CG2-CD2 3.85Å; I256-F260 HydrophobicContact CG2-CE2 4Å; I256-F260 WeakPolarHBondContact O-CB 3.32Å; I256-F260 WeakPolarHBondContact O-CD2 3.35Å; I256-F260 PolarHBondContact O-N 3.19Å; I256-F260 VanDerWaalsContact O-N 3.14Å; I258-F260 PolarHBondContact O-N 3.46Å; F260-C263 CarbonylContact O-C 3.44Å; F260-H264 WeakPolarHBondContact O-CA 3.41Å; F260-H264 PolarHBondContact O-N 3.01Å; F260-H264 VanDerWaalsContact O-N 3.12Å; F260-L267 HydrophobicContact CB-CD1 4.39Å; F260-L267 HydrophobicContact CB-CD2 3.98Å; F260-L267 HydrophobicContact CB-CG 4.31Å; F260-L267 HydrophobicContact CD1-CD2 4.27Å; F260-L267 HydrophobicContact CG-CD2 4.04Å; F260-S273 VanDerWaalsContact CE1-CB 3.47Å; F260-L276 HydrophobicContact CE2-CB 4.29Å; F260-L276 HydrophobicContact CE2-CD2 4.13Å; F260-L276 HydrophobicContact CE2-CG 4.3Å; F260-L276 HydrophobicContact CZ-CD2 4.44Å; F260-W277 HydrophobicContact CB-CG 4.17Å; F260-W277 HydrophobicContact CD2-CB 3.75Å; F260-W277 HydrophobicContact CD2-CG 4.2Å; F260-W277 HydrophobicContact CE2-CB 4.37Å; F260-W277 HydrophobicContact CG-CB 4.38Å |
| 261 | L | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.6 | -41.9 | 167.9 | -71 | 176.1 | 0 | 0 | 0 | 111.3 | W183 T187 I257 I258 G259 C263 W277 L304 F305 | W183-L261 HydrophobicContact CE3-CB 4.43Å; W183-L261 HydrophobicContact CH2-CD1 3.96Å; W183-L261 HydrophobicContact CZ3-CB 3.89Å; W183-L261 HydrophobicContact CZ3-CD1 4.07Å; T187-L261 VanDerWaalsContact CG2-O 3.27Å; T187-L261 WeakPolarHBondContact CG2-O 3.36Å; I257-L261 HydrophobicContact CG2-CD1 4.28Å; I257-L261 VanDerWaalsContact O-CG 3.25Å; I257-L261 WeakPolarHBondContact O-CG 3.4Å; I257-L261 PolarHBondContact O-N 3.46Å; I257-L261 VanDerWaalsContact O-N 3.13Å; I258-L261 WeakPolarHBondContact O-CB 3.48Å; I258-L261 PolarHBondContact O-N 3.26Å; I258-L261 VanDerWaalsContact O-N 3.11Å; G259-L261 VanDerWaalsContact C-N 3.33Å; G259-L261 PolarHBondContact O-N 3.08Å; L261-C263 PolarHBondContact O-N 3.35Å; L261-W277 HydrophobicContact CD2-CZ2 4.01Å; L261-L304 HydrophobicContact CD2-CD2 4.25Å; L261-F305 HydrophobicContact CD2-CE1 4.3Å; L261-F305 HydrophobicContact CD2-CZ 3.92Å |
| 262 | L | 95.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 176 | -64.7 | 175 | 0 | 0 | 0 | 112.1 | A135 W183 L186 F190 I258 G259 | A135-L262 HydrophobicContact CB-CD1 4.27Å; A135-L262 HydrophobicContact CB-CD2 4.37Å; W183-L262 HydrophobicContact CZ3-CD2 4.47Å; L186-L262 HydrophobicContact CB-CD2 3.75Å; L186-L262 HydrophobicContact CD1-CD2 4.39Å; L186-L262 HydrophobicContact CG-CD2 4.46Å; F190-L262 HydrophobicContact CB-CB 4.02Å; F190-L262 WeakPolarHBondContact CB-O 3.46Å; F190-L262 HydrophobicContact CD1-CB 4.23Å; F190-L262 HydrophobicContact CD1-CD1 4.3Å; F190-L262 HydrophobicContact CD2-CB 4.23Å; F190-L262 HydrophobicContact CD2-CD1 4.14Å; F190-L262 HydrophobicContact CD2-CD2 3.75Å; F190-L262 HydrophobicContact CD2-CG 4.25Å; F190-L262 HydrophobicContact CE1-CD1 4.17Å; F190-L262 HydrophobicContact CE2-CD1 3.93Å; F190-L262 HydrophobicContact CE2-CD2 4.04Å; F190-L262 HydrophobicContact CE2-CG 4.48Å; F190-L262 HydrophobicContact CG-CB 3.88Å; F190-L262 HydrophobicContact CG-CD1 4.3Å; F190-L262 HydrophobicContact CG-CD2 4.28Å; F190-L262 HydrophobicContact CG-CG 4.37Å; F190-L262 HydrophobicContact CZ-CD1 3.96Å; I258-L262 HydrophobicContact CG2-CD1 4.05Å; I258-L262 HydrophobicContact CG2-CG 4.24Å; I258-L262 WeakPolarHBondContact O-CG 3.41Å; I258-L262 PolarHBondContact O-N 3.32Å; G259-L262 PolarHBondContact O-N 3.46Å |
| 263 | C | 93.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 46.3 | 179.3 | 69 | 0 | 0 | 0 | 0 | 113.5 | T194 V197 G259 F260 L261 S265 S266 | T194-C263 HydrophobicContact CG2-CB 4.16Å; V197-C263 HydrophobicContact CB-CB 4.37Å; V197-C263 HydrophobicContact CG1-CB 4.28Å; V197-C263 VanDerWaalsContact CG1-SG 3.57Å; G259-C263 PolarHBondContact O-N 3.46Å; G259-C263 PolarHBondContact O-SG 3.08Å; F260-C263 CarbonylContact O-C 3.44Å; L261-C263 PolarHBondContact O-N 3.35Å; C263-S265 PolarHBondContact O-N 3.34Å; C263-S266 WeakPolarHBondContact O-CB 3.48Å; C263-S266 PolarHBondContact O-N 3Å |
| 264 | H | 94.4 | Very high | 95.4 | Very high | 34 Ų | 34 | 24.6 Ų | 24.6 | 16% | 0.157 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23.2 | -170.2 | 63.3 | 85.9 | 0 | 0 | 0 | 116.3 | F260 S266 L267 F305 Y311 | F260-H264 WeakPolarHBondContact O-CA 3.41Å; F260-H264 PolarHBondContact O-N 3.01Å; F260-H264 VanDerWaalsContact O-N 3.12Å; H264-S266 PolarHBondContact O-N 3.15Å; H264-L267 WeakPolarHBondContact O-CB 3.46Å; H264-L267 PolarHBondContact O-N 3.16Å; H264-L267 VanDerWaalsContact O-N 3.12Å; H264-F305 HydrophobicContact CB-CE1 3.57Å; H264-F305 HydrophobicContact CB-CZ 3.81Å; H264-Y311 HydrophobicContact CB-CE1 4.22Å; H264-Y311 AromaticContact ND1-CE1 3.76Å; H264-Y311 AromaticContact ND1-CZ 3.25Å; H264-Y311 VanDerWaalsContact ND1-CZ 3.25Å; H264-Y311 PolarHBondContact ND1-OH 3.16Å; H264-Y311 PolarHBondContact O-OH 2.92Å |
| 265 | S | 93.6 | Very high | 95.4 | Very high | 45 Ų | 45 | 27.2 Ų | 27.2 | 32% | 0.315 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28.5 | 175.4 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | T194 C263 L267 N268 T269 Y311 | T194-S265 WeakPolarHBondContact CG2-OG 3.37Å; C263-S265 PolarHBondContact O-N 3.34Å; S265-L267 VanDerWaalsContact C-N 3.28Å; S265-L267 PolarHBondContact O-N 2.92Å; S265-N268 PolarHBondContact O-N 3.42Å; S265-T269 PolarHBondContact O-N 2.75Å; S265-T269 PolarHBondContact O-OG1 3.08Å; S265-Y311 WeakPolarHBondContact CA-OH 3.43Å |
| 266 | S | 94.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.028 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.6 | -33.8 | 175.5 | -165.9 | 0 | 0 | 0 | 0 | 112.4 | T198 C263 H264 N268 T269 N270 S273 | T198-S266 WeakPolarHBondContact CG2-OG 3.22Å; T198-S266 VanDerWaalsContact OG1-CB 3.32Å; T198-S266 WeakPolarHBondContact OG1-CB 3.35Å; T198-S266 PolarHBondContact OG1-OG 2.93Å; C263-S266 WeakPolarHBondContact O-CB 3.48Å; C263-S266 PolarHBondContact O-N 3Å; H264-S266 PolarHBondContact O-N 3.15Å; S266-N268 PolarHBondContact O-N 3.18Å; S266-T269 WeakPolarHBondContact CA-OG1 3.37Å; S266-T269 PolarHBondContact O-N 2.94Å; S266-N270 WeakPolarHBondContact O-CB 3.49Å; S266-N270 PolarHBondContact O-N 3.27Å; S266-S273 PolarHBondContact OG-OG 3.33Å |
| 267 | L | 94.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.6 | -21.6 | -179.3 | -62.2 | 174.1 | 0 | 0 | 0 | 113.7 | F260 H264 S265 W277 F305 R314 | F260-L267 HydrophobicContact CB-CD1 4.39Å; F260-L267 HydrophobicContact CB-CD2 3.98Å; F260-L267 HydrophobicContact CB-CG 4.31Å; F260-L267 HydrophobicContact CD1-CD2 4.27Å; F260-L267 HydrophobicContact CG-CD2 4.04Å; H264-L267 WeakPolarHBondContact O-CB 3.46Å; H264-L267 PolarHBondContact O-N 3.16Å; H264-L267 VanDerWaalsContact O-N 3.12Å; S265-L267 VanDerWaalsContact C-N 3.28Å; S265-L267 PolarHBondContact O-N 2.92Å; L267-W277 HydrophobicContact CD1-CD2 3.95Å; L267-W277 HydrophobicContact CD1-CE3 3.9Å; L267-W277 HydrophobicContact CD1-CH2 4.24Å; L267-W277 HydrophobicContact CD1-CZ2 4.3Å; L267-W277 HydrophobicContact CD1-CZ3 4.05Å; L267-W277 HydrophobicContact CD2-CB 3.72Å; L267-W277 HydrophobicContact CD2-CD2 3.93Å; L267-W277 HydrophobicContact CD2-CE3 3.95Å; L267-W277 HydrophobicContact CD2-CG 3.87Å; L267-F305 HydrophobicContact CD1-CE2 4.01Å; L267-F305 HydrophobicContact CD1-CZ 3.77Å; L267-R314 PolarHBondContact O-NE 3.26Å; L267-R314 VanDerWaalsContact O-NE 3.16Å; L267-R314 PolarHBondContact O-NH2 3.22Å |
| 268 | N | 92.3 | Very high | 95.4 | Very high | 65 Ų | 65 | 28.8 Ų | 28.8 | 35% | 0.348 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -96.2 | -26.5 | 176.1 | -75.7 | -24.8 | 0 | 0 | 0 | 112.9 | S265 S266 Y311 R314 | S265-N268 PolarHBondContact O-N 3.42Å; S266-N268 PolarHBondContact O-N 3.18Å; N268-Y311 VanDerWaalsContact ND2-CE1 3.34Å; N268-Y311 WeakPolarHBondContact ND2-CE1 3.48Å; N268-Y311 PolarHBondContact ND2-OH 2.97Å; N268-R314 PolarHBondContact OD1-NE 3Å; N268-R314 PolarHBondContact OD1-NH2 3.02Å |
| 269 | T | 91.6 | Very high | 95.3 | Very high | 118 Ų | 118 | 31.1 Ų | 31.1 | 72% | 0.724 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -99.9 | -23.2 | -172.6 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | S265 S266 | S265-T269 PolarHBondContact O-N 2.75Å; S265-T269 PolarHBondContact O-OG1 3.08Å; S266-T269 WeakPolarHBondContact CA-OG1 3.37Å; S266-T269 PolarHBondContact O-N 2.94Å |
| 270 | N | 92.8 | Very high | 95.3 | Very high | 54 Ų | 54 | 30.9 Ų | 30.9 | 29% | 0.289 | 17% | 0.166 | S | C | . | . | trans | -127.8 | 115.3 | -177.8 | -171.1 | -22.6 | 0 | 0 | 0 | 111.6 | L202 S266 A272 S273 L274 | L202-N270 VanDerWaalsContact CD1-ND2 3.31Å; L202-N270 WeakPolarHBondContact CD1-ND2 3.16Å; S266-N270 WeakPolarHBondContact O-CB 3.49Å; S266-N270 PolarHBondContact O-N 3.27Å; N270-A272 VanDerWaalsContact C-N 3.33Å; N270-A272 PolarHBondContact O-N 3.36Å; N270-A272 WeakPolarHBondContact OD1-CB 3.28Å; N270-A272 PolarHBondContact OD1-N 2.76Å; N270-S273 WeakPolarHBondContact O-CB 3.24Å; N270-S273 PolarHBondContact O-N 2.87Å; N270-L274 PolarHBondContact O-N 2.99Å | ||
| 271 | Q | 94.6 | Very high | 95.3 | Very high | 111 Ų | 111 | 30.9 Ų | 30.9 | 52% | 0.519 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.1 | -35.4 | -179 | -177.5 | 59.1 | 31.1 | 0 | 0 | 112.7 | S273 L274 E275 | Q271-S273 VanDerWaalsContact C-N 3.31Å; Q271-S273 PolarHBondContact O-N 3.44Å; Q271-L274 PolarHBondContact O-N 3.13Å; Q271-E275 PolarHBondContact NE2-OE1 3.34Å; Q271-E275 VanDerWaalsContact NE2-OE1 3.13Å; Q271-E275 WeakPolarHBondContact O-CG 3.03Å; Q271-E275 PolarHBondContact O-N 2.9Å |
| 272 | A | 95.7 | Very high | 95.3 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 17% | 0.165 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.7 | -34.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L202 N270 E275 L276 | L202-A272 HydrophobicContact CD2-CB 3.85Å; N270-A272 VanDerWaalsContact C-N 3.33Å; N270-A272 PolarHBondContact O-N 3.36Å; N270-A272 WeakPolarHBondContact OD1-CB 3.28Å; N270-A272 PolarHBondContact OD1-N 2.76Å; A272-E275 PolarHBondContact O-N 2.86Å; A272-L276 WeakPolarHBondContact O-CB 3.43Å; A272-L276 PolarHBondContact O-N 3.02Å; A272-L276 VanDerWaalsContact O-N 3.09Å |
| 273 | S | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63 | -45 | 174.7 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | F260 S266 N270 Q271 W277 | F260-S273 VanDerWaalsContact CE1-CB 3.47Å; S266-S273 PolarHBondContact OG-OG 3.33Å; N270-S273 WeakPolarHBondContact O-CB 3.24Å; N270-S273 PolarHBondContact O-N 2.87Å; Q271-S273 VanDerWaalsContact C-N 3.31Å; Q271-S273 PolarHBondContact O-N 3.44Å; S273-W277 VanDerWaalsContact O-CB 3.29Å; S273-W277 WeakPolarHBondContact O-CB 3.46Å; S273-W277 PolarHBondContact O-N 3.4Å |
| 274 | L | 96.3 | Very high | 95 | Very high | 10 Ų | 10 | 35.1 Ų | 35.1 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 178.1 | 179.6 | 66 | 0 | 0 | 0 | 112.1 | N270 Q271 W277 K278 | N270-L274 PolarHBondContact O-N 2.99Å; Q271-L274 PolarHBondContact O-N 3.13Å; L274-W277 HydrophobicContact CD1-CE3 4.28Å; L274-W277 PolarHBondContact O-N 3.14Å; L274-K278 HydrophobicContact CD1-CD 4.28Å; L274-K278 HydrophobicContact CD1-CG 4.22Å; L274-K278 HydrophobicContact CG-CD 4.24Å; L274-K278 HydrophobicContact CG-CG 4.46Å; L274-K278 WeakPolarHBondContact O-CB 3.39Å; L274-K278 WeakPolarHBondContact O-CG 3.41Å; L274-K278 PolarHBondContact O-N 3.38Å |
| 275 | E | 96.6 | Very high | 94.9 | Very high | 96 Ų | 96 | 33.7 Ų | 33.7 | 45% | 0.449 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 179.7 | -75.3 | 169.3 | -173.2 | 0 | 0 | 112.1 | Q271 A272 W277 K278 M279 | Q271-E275 PolarHBondContact NE2-OE1 3.34Å; Q271-E275 VanDerWaalsContact NE2-OE1 3.13Å; Q271-E275 WeakPolarHBondContact O-CG 3.03Å; Q271-E275 PolarHBondContact O-N 2.9Å; A272-E275 PolarHBondContact O-N 2.86Å; E275-W277 VanDerWaalsContact C-N 3.35Å; E275-W277 PolarHBondContact O-N 3.24Å; E275-K278 PolarHBondContact O-N 3.4Å; E275-M279 WeakPolarHBondContact O-CB 3.4Å; E275-M279 PolarHBondContact O-N 3.06Å |
| 276 | L | 97.5 | Very high | 94.9 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 178.6 | -174.4 | 59.1 | 0 | 0 | 0 | 111.3 | L201 L204 Y208 I256 F260 A272 M279 A280 | L201-L276 VanDerWaalsContact O-CD2 3.28Å; L201-L276 WeakPolarHBondContact O-CD2 3.23Å; L204-L276 HydrophobicContact CB-CD2 4.38Å; Y208-L276 HydrophobicContact CD1-CD1 3.87Å; I256-L276 HydrophobicContact CD1-CD1 3.89Å; I256-L276 HydrophobicContact CD1-CD2 4.4Å; I256-L276 HydrophobicContact CD1-CG 4.01Å; I256-L276 HydrophobicContact CG1-CD2 4.35Å; I256-L276 HydrophobicContact CG1-CG 4.25Å; I256-L276 HydrophobicContact CG2-CG 4.16Å; F260-L276 HydrophobicContact CE2-CB 4.29Å; F260-L276 HydrophobicContact CE2-CD2 4.13Å; F260-L276 HydrophobicContact CE2-CG 4.3Å; F260-L276 HydrophobicContact CZ-CD2 4.44Å; A272-L276 WeakPolarHBondContact O-CB 3.43Å; A272-L276 PolarHBondContact O-N 3.02Å; A272-L276 VanDerWaalsContact O-N 3.09Å; L276-M279 HydrophobicContact CD1-CE 3.6Å; L276-M279 PolarHBondContact O-N 3.14Å; L276-A280 PolarHBondContact O-N 3.4Å; L276-A280 VanDerWaalsContact O-N 3.13Å |
| 277 | W | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.5 | -45.1 | 176.8 | -173.7 | 65.1 | 0 | 0 | 0 | 112.9 | F260 L261 L267 S273 L274 E275 M279 A280 L281 F305 I318 | F260-W277 HydrophobicContact CB-CG 4.17Å; F260-W277 HydrophobicContact CD2-CB 3.75Å; F260-W277 HydrophobicContact CD2-CG 4.2Å; F260-W277 HydrophobicContact CE2-CB 4.37Å; F260-W277 HydrophobicContact CG-CB 4.38Å; L261-W277 HydrophobicContact CD2-CZ2 4.01Å; L267-W277 HydrophobicContact CD1-CD2 3.95Å; L267-W277 HydrophobicContact CD1-CE3 3.9Å; L267-W277 HydrophobicContact CD1-CH2 4.24Å; L267-W277 HydrophobicContact CD1-CZ2 4.3Å; L267-W277 HydrophobicContact CD1-CZ3 4.05Å; L267-W277 HydrophobicContact CD2-CB 3.72Å; L267-W277 HydrophobicContact CD2-CD2 3.93Å; L267-W277 HydrophobicContact CD2-CE3 3.95Å; L267-W277 HydrophobicContact CD2-CG 3.87Å; S273-W277 VanDerWaalsContact O-CB 3.29Å; S273-W277 WeakPolarHBondContact O-CB 3.46Å; S273-W277 PolarHBondContact O-N 3.4Å; L274-W277 HydrophobicContact CD1-CE3 4.28Å; L274-W277 PolarHBondContact O-N 3.14Å; E275-W277 VanDerWaalsContact C-N 3.35Å; E275-W277 PolarHBondContact O-N 3.24Å; W277-M279 VanDerWaalsContact C-N 3.28Å; W277-M279 PolarHBondContact O-N 3.46Å; W277-A280 PolarHBondContact O-N 2.87Å; W277-L281 HydrophobicContact CD2-CD1 3.83Å; W277-L281 HydrophobicContact CD2-CG 4.32Å; W277-L281 HydrophobicContact CE3-CD1 3.8Å; W277-L281 HydrophobicContact CH2-CD1 3.72Å; W277-L281 HydrophobicContact CZ2-CD1 3.74Å; W277-L281 HydrophobicContact CZ2-CD2 4.42Å; W277-L281 HydrophobicContact CZ2-CG 4.39Å; W277-L281 HydrophobicContact CZ3-CD1 3.75Å; W277-L281 WeakPolarHBondContact O-CG 3.3Å; W277-L281 PolarHBondContact O-N 3.27Å; W277-F305 HydrophobicContact CH2-CD2 4.36Å; W277-F305 AromaticContact CH2-CE2 3.59Å; W277-F305 HydrophobicContact CH2-CE2 3.59Å; W277-F305 HydrophobicContact CH2-CZ 4.44Å; W277-F305 HydrophobicContact CZ2-CE2 4.11Å; W277-F305 HydrophobicContact CZ3-CE2 4.3Å; W277-I318 HydrophobicContact CH2-CD1 3.88Å; W277-I318 HydrophobicContact CH2-CG1 3.59Å; W277-I318 HydrophobicContact CZ2-CG1 4.46Å; W277-I318 HydrophobicContact CZ3-CG1 4.2Å |
| 278 | K | 97.3 | Very high | 94.7 | Very high | 32 Ų | 32 | 33.6 Ų | 33.6 | 14% | 0.139 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.7 | -38.8 | 175.1 | -75.6 | -174.1 | 72 | 158.4 | 0 | 111.7 | L274 E275 L281 R282 D317 E320 | L274-K278 HydrophobicContact CD1-CD 4.28Å; L274-K278 HydrophobicContact CD1-CG 4.22Å; L274-K278 HydrophobicContact CG-CD 4.24Å; L274-K278 HydrophobicContact CG-CG 4.46Å; L274-K278 WeakPolarHBondContact O-CB 3.39Å; L274-K278 WeakPolarHBondContact O-CG 3.41Å; L274-K278 PolarHBondContact O-N 3.38Å; E275-K278 PolarHBondContact O-N 3.4Å; K278-L281 PolarHBondContact O-N 3.02Å; K278-R282 VanDerWaalsContact O-CG 3.29Å; K278-R282 WeakPolarHBondContact O-CG 3.49Å; K278-R282 PolarHBondContact O-N 3.4Å; K278-D317 HydrophobicContact CD-CB 4.2Å; K278-D317 IonicContact NZ-OD1 3.23Å; K278-D317 PolarHBondContact NZ-OD1 3.26Å; K278-E320 IonicContact NZ-OE1 3.18Å; K278-E320 IonicContact NZ-OE2 2.71Å; K278-E320 PolarHBondContact NZ-OE2 3.25Å |
| 279 | M | 96.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 30.6 Ų | 30.6 | 25% | 0.251 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 177 | -176.2 | 175.5 | 59.2 | 0 | 0 | 111.9 | Y208 P209 E275 L276 W277 R282 S283 | Y208-M279 HydrophobicContact CD1-CE 3.26Å; Y208-M279 HydrophobicContact CE1-CE 3.6Å; Y208-M279 HydrophobicContact CE1-CG 4.14Å; Y208-M279 HydrophobicContact CE1-SD 4.5Å; Y208-M279 HydrophobicContact CG-CE 4.33Å; P209-M279 HydrophobicContact CB-CE 3.85Å; P209-M279 HydrophobicContact CB-SD 3.91Å; P209-M279 HydrophobicContact CG-CE 3.47Å; P209-M279 VanDerWaalsContact CG-CE 3.47Å; P209-M279 HydrophobicContact CG-SD 4.18Å; E275-M279 WeakPolarHBondContact O-CB 3.4Å; E275-M279 PolarHBondContact O-N 3.06Å; L276-M279 HydrophobicContact CD1-CE 3.6Å; L276-M279 PolarHBondContact O-N 3.14Å; W277-M279 VanDerWaalsContact C-N 3.28Å; W277-M279 PolarHBondContact O-N 3.46Å; M279-R282 PolarHBondContact O-N 3.12Å; M279-S283 PolarHBondContact O-OG 2.76Å |
| 280 | A | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.6 | -42.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y208 I256 I257 L276 W277 R282 S283 | Y208-A280 HydrophobicContact CE1-CB 4.11Å; I256-A280 HydrophobicContact CB-CB 4.08Å; I256-A280 HydrophobicContact CG2-CB 3.56Å; I257-A280 HydrophobicContact CD1-CB 4.05Å; I257-A280 HydrophobicContact CG1-CB 3.8Å; L276-A280 PolarHBondContact O-N 3.4Å; L276-A280 VanDerWaalsContact O-N 3.13Å; W277-A280 PolarHBondContact O-N 2.87Å; A280-R282 PolarHBondContact O-N 2.99Å; A280-S283 WeakPolarHBondContact O-CB 3.29Å; A280-S283 PolarHBondContact O-N 3.08Å |
| 281 | L | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.5 | -31.4 | 175.1 | -73.4 | 177.6 | 0 | 0 | 0 | 112.9 | W277 K278 S283 I297 H298 I318 C321 V325 | W277-L281 HydrophobicContact CD2-CD1 3.83Å; W277-L281 HydrophobicContact CD2-CG 4.32Å; W277-L281 HydrophobicContact CE3-CD1 3.8Å; W277-L281 HydrophobicContact CH2-CD1 3.72Å; W277-L281 HydrophobicContact CZ2-CD1 3.74Å; W277-L281 HydrophobicContact CZ2-CD2 4.42Å; W277-L281 HydrophobicContact CZ2-CG 4.39Å; W277-L281 HydrophobicContact CZ3-CD1 3.75Å; W277-L281 WeakPolarHBondContact O-CG 3.3Å; W277-L281 PolarHBondContact O-N 3.27Å; K278-L281 PolarHBondContact O-N 3.02Å; L281-S283 PolarHBondContact O-N 3.3Å; L281-I297 HydrophobicContact CD2-CB 4.4Å; L281-I297 HydrophobicContact CD2-CD1 3.86Å; L281-I297 HydrophobicContact CD2-CG1 3.97Å; L281-H298 PolarHBondContact O-CE1 3.17Å; L281-H298 PolarHBondContact O-NE2 3.42Å; L281-I318 HydrophobicContact CD1-CG1 4.33Å; L281-C321 HydrophobicContact CB-CB 3.77Å; L281-C321 HydrophobicContact CD1-CB 4.44Å; L281-V325 WeakPolarHBondContact O-CG2 3.34Å |
| 282 | R | 95.6 | Very high | 94.3 | Very high | 84 Ų | 84 | 20.5 Ų | 20.5 | 32% | 0.317 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -4.7 | 178.6 | -74.1 | 173.4 | -178.2 | 174.3 | -2.2 | 114.5 | K278 M279 A280 E320 C321 H324 V325 | K278-R282 VanDerWaalsContact O-CG 3.29Å; K278-R282 WeakPolarHBondContact O-CG 3.49Å; K278-R282 PolarHBondContact O-N 3.4Å; M279-R282 PolarHBondContact O-N 3.12Å; A280-R282 PolarHBondContact O-N 2.99Å; R282-E320 IonicContact CZ-OE1 3.02Å; R282-E320 IonicContact NH2-OE1 3.3Å; R282-E320 PolarHBondContact NH2-OE1 3.04Å; R282-C321 HydrophobicContact CG-CB 3.97Å; R282-H324 HydrophobicContact CG-CB 4.33Å; R282-V325 WeakPolarHBondContact O-CG2 3.49Å |
| 283 | S | 92.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 20.3 Ų | 20.3 | 4% | 0.035 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -7.2 | -173 | -53.8 | 0 | 0 | 0 | 0 | 114.3 | Y208 N212 E253 M279 A280 L281 C329 H333 W378 | Y208-S283 PolarHBondContact OH-OG 3.43Å; Y208-S283 VanDerWaalsContact OH-OG 3.08Å; N212-S283 PolarHBondContact ND2-OG 2.98Å; E253-S283 WeakPolarHBondContact OE1-CB 3.43Å; M279-S283 PolarHBondContact O-OG 2.76Å; A280-S283 WeakPolarHBondContact O-CB 3.29Å; A280-S283 PolarHBondContact O-N 3.08Å; L281-S283 PolarHBondContact O-N 3.3Å; S283-C329 PolarHBondContact O-SG 3.09Å; S283-H333 PolarHBondContact O-NE2 3.45Å; S283-W378 PolarHBondContact O-NE1 3Å |
| 284 | G | 91.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 3% | 0.031 | 10% | 0.1 | C | C | . | . | trans | 177.6 | 169.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I297 H298 | G284-I297 VanDerWaalsContact O-CD1 3.24Å; G284-I297 WeakPolarHBondContact O-CD1 3.25Å; G284-H298 PolarHBondContact O-CE1 2.93Å; G284-H298 VanDerWaalsContact O-CE1 3.27Å | ||
| 285 | L | 92.5 | Very high | 94 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -94.9 | -27.9 | 174.2 | -71.5 | -177.8 | 0 | 0 | 0 | 112.7 | I297 R322 V325 L326 H382 M386 | L285-I297 PolarHBondContact O-N 3.07Å; L285-I297 VanDerWaalsContact O-N 3.08Å; L285-R322 HydrophobicContact CD2-CG 4.27Å; L285-V325 HydrophobicContact CD2-CB 4.11Å; L285-V325 HydrophobicContact CD2-CG1 3.72Å; L285-V325 HydrophobicContact CG-CG1 3.61Å; L285-L326 HydrophobicContact CD1-CD2 3.8Å; L285-H382 PolarHBondContact N-NE2 3.1Å; L285-M386 HydrophobicContact CD1-CE 3.9Å; L285-M386 HydrophobicContact CD1-SD 3.59Å; L285-M386 VanDerWaalsContact CD1-SD 3.59Å; L285-M386 HydrophobicContact CG-SD 4.44Å |
| 286 | F | 94 | Very high | 93.9 | Very high | 18 Ų | 18 | 18.3 Ų | 18.3 | 8% | 0.079 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134.1 | -170.1 | -60.2 | -81.2 | 0 | 0 | 0 | 111.3 | V294 L295 N296 R381 H382 N385 | F286-V294 HydrophobicContact CB-CB 4.25Å; F286-V294 HydrophobicContact CD1-CB 4.23Å; F286-V294 HydrophobicContact CD1-CG2 3.92Å; F286-V294 HydrophobicContact CE1-CG2 4.47Å; F286-L295 VanDerWaalsContact CA-O 3.31Å; F286-L295 WeakPolarHBondContact CA-O 3.45Å; F286-N296 HydrophobicContact CD1-CB 4.05Å; F286-N296 HydrophobicContact CE1-CB 3.76Å; F286-R381 WeakPolarHBondContact O-CD 3.44Å; F286-R381 PolarHBondContact O-NE 3.4Å; F286-H382 AromaticContact CD2-CD2 3.87Å; F286-H382 PolarHBondContact N-NE2 3.13Å; F286-N385 HydrophobicContact CD1-CB 4.33Å; F286-N385 HydrophobicContact CD2-CB 3.85Å; F286-N385 HydrophobicContact CE1-CB 4.04Å; F286-N385 HydrophobicContact CE2-CB 3.56Å; F286-N385 VanDerWaalsContact CE2-O 3.25Å; F286-N385 WeakPolarHBondContact CE2-O 3.42Å; F286-N385 HydrophobicContact CG-CB 4.24Å; F286-N385 HydrophobicContact CZ-CB 3.66Å; F286-N385 WeakPolarHBondContact CZ-O 3.48Å |
| 287 | L | 93.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 152.2 | 164.6 | -72.8 | 175 | 0 | 0 | 0 | 110.4 | E253 R254 I257 V294 L295 I297 | E253-L287 HydrophobicContact CB-CD2 4.1Å; R254-L287 HydrophobicContact CB-CD1 4.46Å; R254-L287 HydrophobicContact CB-CD2 4.35Å; R254-L287 HydrophobicContact CG-CD1 4.43Å; I257-L287 HydrophobicContact CB-CD1 3.79Å; I257-L287 HydrophobicContact CD1-CD1 3.72Å; I257-L287 HydrophobicContact CD1-CD2 4.13Å; I257-L287 HydrophobicContact CD1-CG 4.1Å; I257-L287 HydrophobicContact CG1-CD1 4.36Å; I257-L287 HydrophobicContact CG2-CD1 3.8Å; L287-V294 CarbonylContact O-C 3.56Å; L287-V294 VanDerWaalsContact O-CA 3.26Å; L287-V294 WeakPolarHBondContact O-CA 3.45Å; L287-L295 PolarHBondContact N-O 2.96Å; L287-L295 PolarHBondContact O-N 3.49Å; L287-I297 HydrophobicContact CB-CG2 4.08Å; L287-I297 HydrophobicContact CD1-CG2 3.59Å; L287-I297 HydrophobicContact CG-CG2 3.55Å |
| 288 | N | 91.6 | Very high | 93.7 | Very high | 27 Ų | 27 | 18.1 Ų | 18.1 | 14% | 0.144 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 122.3 | 170.5 | -166.1 | -2.8 | 0 | 0 | 0 | 109.9 | T290 R291 E293 | N288-T290 WeakPolarHBondContact OD1-CA 3.26Å; N288-T290 PolarHBondContact OD1-N 3.28Å; N288-T290 VanDerWaalsContact OD1-N 3.08Å; N288-T290 PolarHBondContact OD1-O 3.07Å; N288-R291 PolarHBondContact ND2-O 2.98Å; N288-R291 VanDerWaalsContact ND2-O 3.07Å; N288-R291 PolarHBondContact OD1-N 2.67Å; N288-R291 PolarHBondContact OD1-O 2.96Å; N288-E293 PolarHBondContact OD1-O 2.92Å |
| 289 | L | 90.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -55.1 | 168.6 | -64 | 173.9 | 0 | 0 | 0 | 109.2 | I139 I258 E293 L295 | I139-L289 HydrophobicContact CD1-CD2 4.47Å; I139-L289 HydrophobicContact CG2-CD1 3.78Å; I258-L289 HydrophobicContact CD1-CD2 4.47Å; L289-E293 WeakPolarHBondContact CB-O 3.49Å; L289-E293 PolarHBondContact N-O 2.56Å; L289-L295 HydrophobicContact CD1-CB 4.27Å; L289-L295 HydrophobicContact CD1-CD1 4.42Å; L289-L295 HydrophobicContact CD2-CB 4.09Å; L289-L295 HydrophobicContact CD2-CD2 4.36Å; L289-L295 HydrophobicContact CG-CB 4.03Å |
| 290 | T | 92.1 | Very high | 93.5 | Very high | 14 Ų | 14 | 20.9 Ų | 20.9 | 9% | 0.086 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 133.8 | 172 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | L22 N26 L140 N288 E292 E293 | L22-T290 HydrophobicContact CD1-CG2 4.07Å; L22-T290 HydrophobicContact CD2-CG2 4.43Å; L22-T290 HydrophobicContact CG-CG2 3.91Å; N26-T290 HydrophobicContact CB-CG2 3.79Å; L140-T290 HydrophobicContact CD2-CG2 3.67Å; N288-T290 WeakPolarHBondContact OD1-CA 3.26Å; N288-T290 PolarHBondContact OD1-N 3.28Å; N288-T290 VanDerWaalsContact OD1-N 3.08Å; N288-T290 PolarHBondContact OD1-O 3.07Å; T290-E292 PolarHBondContact O-N 2.92Å; T290-E292 VanDerWaalsContact O-N 3.15Å; T290-E293 HydrophobicContact CG2-CB 4.41Å; T290-E293 WeakPolarHBondContact O-CB 3.45Å; T290-E293 PolarHBondContact O-N 3.17Å |
| 291 | R | 90.1 | Very high | 93.5 | Very high | 19 Ų | 19 | 20.9 Ų | 20.9 | 7% | 0.072 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | -117.7 | 176.5 | -60.2 | 166.7 | 171.4 | 179.9 | -4.8 | 111.7 | I23 N26 N288 I536 F539 C574 E582 | I23-R291 VanDerWaalsContact CG2-NH2 3.29Å; N26-R291 WeakPolarHBondContact OD1-CD 3.49Å; N26-R291 PolarHBondContact OD1-NH1 3.17Å; N288-R291 PolarHBondContact ND2-O 2.98Å; N288-R291 VanDerWaalsContact ND2-O 3.07Å; N288-R291 PolarHBondContact OD1-N 2.67Å; N288-R291 PolarHBondContact OD1-O 2.96Å; R291-I536 WeakPolarHBondContact O-CD1 3.33Å; R291-F539 HydrophobicContact CB-CB 4.41Å; R291-F539 HydrophobicContact CB-CD1 4.05Å; R291-F539 HydrophobicContact CB-CD2 4.05Å; R291-F539 HydrophobicContact CB-CE1 4.37Å; R291-F539 HydrophobicContact CB-CE2 4.36Å; R291-F539 HydrophobicContact CB-CG 3.89Å; R291-F539 VanDerWaalsContact CD-CE1 3.45Å; R291-F539 HydrophobicContact CG-CD1 4.18Å; R291-F539 HydrophobicContact CG-CD2 4Å; R291-F539 HydrophobicContact CG-CE1 4Å; R291-F539 HydrophobicContact CG-CE2 3.8Å; R291-F539 HydrophobicContact CG-CG 4.19Å; R291-F539 HydrophobicContact CG-CZ 3.81Å; R291-C574 PolarHBondContact NH2-O 3.44Å; R291-E582 IonicContact CZ-OE1 3.33Å; R291-E582 IonicContact CZ-OE2 3.74Å; R291-E582 VanDerWaalsContact CZ-OE2 3.31Å; R291-E582 IonicContact NH1-OE1 2.68Å; R291-E582 IonicContact NH1-OE2 2.63Å; R291-E582 PolarHBondContact NH1-OE2 3.41Å; R291-E582 IonicContact NH2-OE1 3.3Å; R291-E582 PolarHBondContact NH2-OE1 2.74Å; R291-E582 IonicContact NH2-OE2 3.78Å; R291-E582 PolarHBondContact NH2-OE2 2.91Å |
| 292 | E | 89.6 | Confident | 93.4 | Very high | 39 Ų | 39 | 22.9 Ų | 22.9 | 18% | 0.182 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -3.1 | -179.8 | 73.2 | -87.6 | -147.2 | 0 | 0 | 114.8 | K30 T290 V294 F539 Y540 | K30-E292 WeakPolarHBondContact CD-OE1 3.32Å; K30-E292 WeakPolarHBondContact CE-OE1 3Å; K30-E292 VanDerWaalsContact NZ-CD 3.28Å; K30-E292 IonicContact NZ-OE1 3.19Å; K30-E292 PolarHBondContact NZ-OE1 3.47Å; T290-E292 PolarHBondContact O-N 2.92Å; T290-E292 VanDerWaalsContact O-N 3.15Å; E292-V294 PolarHBondContact O-N 2.84Å; E292-F539 HydrophobicContact CB-CB 4.27Å; E292-Y540 WeakPolarHBondContact CA-OH 3.5Å; E292-Y540 HydrophobicContact CB-CE1 4.43Å; E292-Y540 HydrophobicContact CB-CE2 3.89Å; E292-Y540 PolarHBondContact O-OH 3.33Å |
| 293 | E | 93.1 | Very high | 93.3 | Very high | 15 Ų | 15 | 23.7 Ų | 23.7 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 104.4 | 179.7 | -67.2 | -66.2 | 143.9 | 0 | 0 | 110.7 | N26 K29 K30 L140 R143 N288 L289 T290 | N26-E293 VanDerWaalsContact ND2-CG 3.33Å; N26-E293 WeakPolarHBondContact ND2-CG 3.43Å; K29-E293 VanDerWaalsContact CE-OE2 3.29Å; K29-E293 WeakPolarHBondContact CE-OE2 3.4Å; K29-E293 VanDerWaalsContact NZ-CD 3.25Å; K29-E293 IonicContact NZ-OE1 3.65Å; K29-E293 PolarHBondContact NZ-OE1 2.95Å; K29-E293 IonicContact NZ-OE2 3.99Å; K29-E293 PolarHBondContact NZ-OE2 3.31Å; K30-E293 WeakPolarHBondContact CE-OE1 3.21Å; K30-E293 IonicContact NZ-OE1 2.7Å; K30-E293 PolarHBondContact NZ-OE1 3.48Å; L140-E293 HydrophobicContact CD1-CB 4.4Å; L140-E293 HydrophobicContact CD1-CG 3.93Å; R143-E293 IonicContact NH1-OE2 2.73Å; R143-E293 PolarHBondContact NH1-OE2 3.5Å; N288-E293 PolarHBondContact OD1-O 2.92Å; L289-E293 WeakPolarHBondContact CB-O 3.49Å; L289-E293 PolarHBondContact N-O 2.56Å; T290-E293 HydrophobicContact CG2-CB 4.41Å; T290-E293 WeakPolarHBondContact O-CB 3.45Å; T290-E293 PolarHBondContact O-N 3.17Å |
| 294 | V | 93.7 | Very high | 93.4 | Very high | 21 Ų | 21 | 24.3 Ų | 24.3 | 13% | 0.127 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 156.5 | -179.4 | -62.3 | 0 | 0 | 0 | 0 | 113 | R143 F286 L287 E292 R381 | R143-V294 PolarHBondContact NH1-O 3.19Å; R143-V294 PolarHBondContact NH2-O 2.94Å; F286-V294 HydrophobicContact CB-CB 4.25Å; F286-V294 HydrophobicContact CD1-CB 4.23Å; F286-V294 HydrophobicContact CD1-CG2 3.92Å; F286-V294 HydrophobicContact CE1-CG2 4.47Å; L287-V294 CarbonylContact O-C 3.56Å; L287-V294 VanDerWaalsContact O-CA 3.26Å; L287-V294 WeakPolarHBondContact O-CA 3.45Å; E292-V294 PolarHBondContact O-N 2.84Å; V294-R381 HydrophobicContact CG1-CB 4.24Å |
| 295 | L | 94.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.4 | 171.7 | -172.3 | 75.5 | 0 | 0 | 0 | 109.5 | I139 W183 F286 L287 L289 I297 V300 | I139-L295 HydrophobicContact CG2-CD1 4.49Å; W183-L295 HydrophobicContact CH2-CD2 4.3Å; W183-L295 HydrophobicContact CZ2-CD1 4.17Å; W183-L295 HydrophobicContact CZ2-CD2 3.78Å; F286-L295 VanDerWaalsContact CA-O 3.31Å; F286-L295 WeakPolarHBondContact CA-O 3.45Å; L287-L295 PolarHBondContact N-O 2.96Å; L287-L295 PolarHBondContact O-N 3.49Å; L289-L295 HydrophobicContact CD1-CB 4.27Å; L289-L295 HydrophobicContact CD1-CD1 4.42Å; L289-L295 HydrophobicContact CD2-CB 4.09Å; L289-L295 HydrophobicContact CD2-CD2 4.36Å; L289-L295 HydrophobicContact CG-CB 4.03Å; L295-I297 PolarHBondContact O-N 3.44Å; L295-I297 VanDerWaalsContact O-N 3.12Å; L295-V300 HydrophobicContact CD1-CB 4.44Å; L295-V300 HydrophobicContact CD1-CG1 4.41Å; L295-V300 HydrophobicContact CD1-CG2 3.73Å; L295-V300 HydrophobicContact CG-CG2 4.25Å |
| 296 | N | 94.8 | Very high | 93.5 | Very high | 41 Ų | 41 | 30.2 Ų | 30.2 | 22% | 0.219 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 100.6 | 170.2 | -174.6 | -42.8 | 0 | 0 | 0 | 109.1 | F286 H298 K299 V300 | F286-N296 HydrophobicContact CD1-CB 4.05Å; F286-N296 HydrophobicContact CE1-CB 3.76Å; N296-H298 PolarHBondContact O-N 3.47Å; N296-H298 PolarHBondContact OD1-N 3.2Å; N296-K299 HydrophobicContact CB-CB 4.1Å; N296-K299 PolarHBondContact O-N 3.47Å; N296-K299 WeakPolarHBondContact OD1-CB 3.35Å; N296-K299 PolarHBondContact OD1-N 3.47Å; N296-V300 WeakPolarHBondContact O-CB 3.38Å; N296-V300 WeakPolarHBondContact O-CG2 3.34Å; N296-V300 PolarHBondContact O-N 2.96Å |
| 297 | I | 95.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.6 | -38.6 | -167.8 | 66.2 | -176.2 | 0 | 0 | 0 | 112.3 | I257 L281 G284 L285 L287 L295 S301 | I257-I297 HydrophobicContact CD1-CD1 3.64Å; I257-I297 HydrophobicContact CD1-CG2 4.35Å; I257-I297 HydrophobicContact CG2-CB 4.1Å; I257-I297 HydrophobicContact CG2-CG2 3.98Å; L281-I297 HydrophobicContact CD2-CB 4.4Å; L281-I297 HydrophobicContact CD2-CD1 3.86Å; L281-I297 HydrophobicContact CD2-CG1 3.97Å; G284-I297 VanDerWaalsContact O-CD1 3.24Å; G284-I297 WeakPolarHBondContact O-CD1 3.25Å; L285-I297 PolarHBondContact O-N 3.07Å; L285-I297 VanDerWaalsContact O-N 3.08Å; L287-I297 HydrophobicContact CB-CG2 4.08Å; L287-I297 HydrophobicContact CD1-CG2 3.59Å; L287-I297 HydrophobicContact CG-CG2 3.55Å; L295-I297 PolarHBondContact O-N 3.44Å; L295-I297 VanDerWaalsContact O-N 3.12Å; I297-S301 VanDerWaalsContact O-CB 3.23Å; I297-S301 WeakPolarHBondContact O-CB 3.44Å; I297-S301 PolarHBondContact O-N 3.32Å; I297-S301 PolarHBondContact O-OG 3.21Å |
| 298 | H | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.4 | -46.4 | -178.1 | -66.1 | 89.2 | 0 | 0 | 0 | 110.8 | L281 G284 N296 S301 E302 I318 R322 | L281-H298 PolarHBondContact O-CE1 3.17Å; L281-H298 PolarHBondContact O-NE2 3.42Å; G284-H298 PolarHBondContact O-CE1 2.93Å; G284-H298 VanDerWaalsContact O-CE1 3.27Å; N296-H298 PolarHBondContact O-N 3.47Å; N296-H298 PolarHBondContact OD1-N 3.2Å; H298-S301 PolarHBondContact O-N 3.32Å; H298-E302 WeakPolarHBondContact O-CB 3.28Å; H298-E302 PolarHBondContact O-N 3.37Å; H298-I318 HydrophobicContact CB-CG2 4.1Å; H298-I318 PolarHBondContact CD2-O 3.34Å; H298-I318 WeakPolarHBondContact O-CG2 3.21Å; H298-R322 HydrophobicContact CB-CB 4.26Å; H298-R322 HydrophobicContact CB-CG 4.2Å; H298-R322 VanDerWaalsContact CD2-CB 3.48Å; H298-R322 WeakPolarHBondContact CD2-CB 3.47Å; H298-R322 PolarHBondContact NE2-N 2.86Å |
| 299 | K | 94.8 | Very high | 92.9 | Very high | 116 Ų | 116 | 43.5 Ų | 43.5 | 50% | 0.504 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.6 | -48.7 | 178.4 | -179.9 | 174.8 | 179.3 | 178.1 | 0 | 111.3 | N296 S301 E302 D303 | N296-K299 HydrophobicContact CB-CB 4.1Å; N296-K299 PolarHBondContact O-N 3.47Å; N296-K299 WeakPolarHBondContact OD1-CB 3.35Å; N296-K299 PolarHBondContact OD1-N 3.47Å; K299-S301 VanDerWaalsContact C-N 3.34Å; K299-S301 PolarHBondContact O-N 3.22Å; K299-E302 PolarHBondContact O-N 3.44Å; K299-D303 WeakPolarHBondContact CE-OD2 3.46Å; K299-D303 WeakPolarHBondContact CG-OD2 3.41Å; K299-D303 WeakPolarHBondContact O-CB 3.44Å; K299-D303 PolarHBondContact O-N 3.47Å |
| 300 | V | 94.7 | Very high | 92.8 | Very high | 24 Ų | 24 | 46.3 Ų | 46.3 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.8 | -39.8 | -178.5 | 166.9 | 0 | 0 | 0 | 0 | 111.7 | W183 L295 N296 L304 | W183-V300 HydrophobicContact CD2-CG1 4.1Å; W183-V300 HydrophobicContact CG-CG1 4.32Å; W183-V300 HydrophobicContact CZ2-CG1 3.68Å; L295-V300 HydrophobicContact CD1-CB 4.44Å; L295-V300 HydrophobicContact CD1-CG1 4.41Å; L295-V300 HydrophobicContact CD1-CG2 3.73Å; L295-V300 HydrophobicContact CG-CG2 4.25Å; N296-V300 WeakPolarHBondContact O-CB 3.38Å; N296-V300 WeakPolarHBondContact O-CG2 3.34Å; N296-V300 PolarHBondContact O-N 2.96Å; V300-L304 VanDerWaalsContact O-CB 3.29Å; V300-L304 WeakPolarHBondContact O-CB 3.37Å; V300-L304 PolarHBondContact O-N 3.01Å |
| 301 | S | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 176.1 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | I297 H298 K299 F305 | I297-S301 VanDerWaalsContact O-CB 3.23Å; I297-S301 WeakPolarHBondContact O-CB 3.44Å; I297-S301 PolarHBondContact O-N 3.32Å; I297-S301 PolarHBondContact O-OG 3.21Å; H298-S301 PolarHBondContact O-N 3.32Å; K299-S301 VanDerWaalsContact C-N 3.34Å; K299-S301 PolarHBondContact O-N 3.22Å; S301-F305 WeakPolarHBondContact O-CB 3.5Å; S301-F305 WeakPolarHBondContact O-CG 3.41Å; S301-F305 PolarHBondContact O-N 2.94Å; S301-F305 VanDerWaalsContact O-N 3.09Å |
| 302 | E | 95.4 | Very high | 93 | Very high | 42 Ų | 42 | 50.1 Ų | 50.1 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.6 | -51.7 | 176.9 | -176.7 | 171.5 | -172.2 | 0 | 0 | 111 | H298 K299 L304 F305 D306 I315 I318 K319 | H298-E302 WeakPolarHBondContact O-CB 3.28Å; H298-E302 PolarHBondContact O-N 3.37Å; K299-E302 PolarHBondContact O-N 3.44Å; E302-L304 VanDerWaalsContact C-N 3.31Å; E302-L304 PolarHBondContact O-N 3.3Å; E302-F305 PolarHBondContact O-N 3.41Å; E302-D306 WeakPolarHBondContact O-CB 3.16Å; E302-D306 PolarHBondContact O-N 3.46Å; E302-I315 HydrophobicContact CG-CG2 4.29Å; E302-I318 HydrophobicContact CB-CG2 4.44Å; E302-K319 WeakPolarHBondContact OE1-CE 3.33Å; E302-K319 IonicContact OE1-NZ 2.64Å; E302-K319 PolarHBondContact OE1-NZ 2.86Å |
| 303 | D | 94.2 | Very high | 93.2 | Very high | 101 Ų | 101 | 56.2 Ų | 56.2 | 54% | 0.54 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.7 | -39.5 | -179.6 | -68 | -17.2 | 0 | 0 | 0 | 111.7 | K299 | K299-D303 WeakPolarHBondContact CE-OD2 3.46Å; K299-D303 WeakPolarHBondContact CG-OD2 3.41Å; K299-D303 WeakPolarHBondContact O-CB 3.44Å; K299-D303 PolarHBondContact O-N 3.47Å |
| 304 | L | 94.1 | Very high | 93.3 | Very high | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.099 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.7 | -47.5 | 177.3 | 178.6 | 59.2 | 0 | 0 | 0 | 111.9 | W183 T187 L261 V300 E302 G307 I308 | W183-L304 HydrophobicContact CB-CD1 3.93Å; W183-L304 HydrophobicContact CB-CD2 4.31Å; T187-L304 HydrophobicContact CG2-CD2 4.09Å; L261-L304 HydrophobicContact CD2-CD2 4.25Å; V300-L304 VanDerWaalsContact O-CB 3.29Å; V300-L304 WeakPolarHBondContact O-CB 3.37Å; V300-L304 PolarHBondContact O-N 3.01Å; E302-L304 VanDerWaalsContact C-N 3.31Å; E302-L304 PolarHBondContact O-N 3.3Å; L304-G307 PolarHBondContact O-N 3.34Å; L304-I308 HydrophobicContact CD1-CD1 4.35Å; L304-I308 HydrophobicContact CG-CD1 4.39Å; L304-I308 WeakPolarHBondContact O-CG1 3.49Å |
| 305 | F | 95.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -78.4 | -22.1 | -174.4 | -72.3 | -8.9 | 0 | 0 | 0 | 114 | L261 H264 L267 W277 S301 E302 G307 I308 Y311 R314 I315 I318 | L261-F305 HydrophobicContact CD2-CE1 4.3Å; L261-F305 HydrophobicContact CD2-CZ 3.92Å; H264-F305 HydrophobicContact CB-CE1 3.57Å; H264-F305 HydrophobicContact CB-CZ 3.81Å; L267-F305 HydrophobicContact CD1-CE2 4.01Å; L267-F305 HydrophobicContact CD1-CZ 3.77Å; W277-F305 HydrophobicContact CH2-CD2 4.36Å; W277-F305 AromaticContact CH2-CE2 3.59Å; W277-F305 HydrophobicContact CH2-CE2 3.59Å; W277-F305 HydrophobicContact CH2-CZ 4.44Å; W277-F305 HydrophobicContact CZ2-CE2 4.11Å; W277-F305 HydrophobicContact CZ3-CE2 4.3Å; S301-F305 WeakPolarHBondContact O-CB 3.5Å; S301-F305 WeakPolarHBondContact O-CG 3.41Å; S301-F305 PolarHBondContact O-N 2.94Å; S301-F305 VanDerWaalsContact O-N 3.09Å; E302-F305 PolarHBondContact O-N 3.41Å; F305-G307 PolarHBondContact O-N 2.95Å; F305-I308 HydrophobicContact CD1-CD1 4.19Å; F305-I308 PolarHBondContact O-N 3.3Å; F305-I308 VanDerWaalsContact O-N 3.14Å; F305-Y311 HydrophobicContact CB-CD1 4.5Å; F305-Y311 HydrophobicContact CB-CG 4.43Å; F305-Y311 AromaticContact CD1-CD1 3.87Å; F305-Y311 HydrophobicContact CD1-CD1 3.87Å; F305-Y311 HydrophobicContact CD1-CE1 4.37Å; F305-Y311 HydrophobicContact CD1-CG 4.36Å; F305-Y311 AromaticContact CD2-CD1 3.95Å; F305-Y311 HydrophobicContact CD2-CD1 3.95Å; F305-Y311 HydrophobicContact CE1-CD1 4.04Å; F305-Y311 HydrophobicContact CE1-CE1 4.15Å; F305-Y311 HydrophobicContact CE2-CD1 4.1Å; F305-Y311 AromaticContact CG-CD1 3.85Å; F305-Y311 HydrophobicContact CG-CD1 3.85Å; F305-Y311 HydrophobicContact CG-CG 4.24Å; F305-Y311 HydrophobicContact CZ-CD1 4.16Å; F305-Y311 HydrophobicContact CZ-CE1 4.26Å; F305-R314 HydrophobicContact CD2-CB 3.83Å; F305-R314 HydrophobicContact CE2-CB 4.1Å; F305-I315 HydrophobicContact CB-CG1 4.04Å; F305-I318 HydrophobicContact CD2-CD1 3.8Å; F305-I318 HydrophobicContact CE2-CD1 4.37Å |
| 306 | D | 92.3 | Very high | 93.5 | Very high | 130 Ų | 130 | 59.6 Ų | 59.6 | 70% | 0.695 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.3 | -32.9 | 171.1 | -161.7 | 49.9 | 0 | 0 | 0 | 111.5 | E302 I308 I315 | E302-D306 WeakPolarHBondContact O-CB 3.16Å; E302-D306 PolarHBondContact O-N 3.46Å; D306-I308 VanDerWaalsContact C-N 3.32Å; D306-I308 PolarHBondContact O-N 3.36Å; D306-I315 HydrophobicContact CB-CD1 4.28Å |
| 307 | G | 85.9 | Confident | 93.6 | Very high | 72 Ų | 72 | 58.7 Ų | 58.7 | 74% | 0.742 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -6.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L304 F305 | L304-G307 PolarHBondContact O-N 3.34Å; F305-G307 PolarHBondContact O-N 2.95Å |
| 308 | I | 90.4 | Very high | 93.7 | Very high | 45 Ų | 45 | 58.6 Ų | 58.6 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -117.1 | 121.5 | -173.1 | -51.8 | 176.3 | 0 | 0 | 0 | 111.1 | L304 F305 D306 G310 Y311 | L304-I308 HydrophobicContact CD1-CD1 4.35Å; L304-I308 HydrophobicContact CG-CD1 4.39Å; L304-I308 WeakPolarHBondContact O-CG1 3.49Å; F305-I308 HydrophobicContact CD1-CD1 4.19Å; F305-I308 PolarHBondContact O-N 3.3Å; F305-I308 VanDerWaalsContact O-N 3.14Å; D306-I308 VanDerWaalsContact C-N 3.32Å; D306-I308 PolarHBondContact O-N 3.36Å; I308-G310 PolarHBondContact O-N 3.15Å; I308-Y311 HydrophobicContact CB-CD2 3.78Å; I308-Y311 HydrophobicContact CB-CE2 4.21Å; I308-Y311 HydrophobicContact CB-CG 4.42Å; I308-Y311 HydrophobicContact CG2-CD2 3.4Å; I308-Y311 VanDerWaalsContact CG2-CD2 3.4Å; I308-Y311 HydrophobicContact CG2-CE2 3.4Å; I308-Y311 HydrophobicContact CG2-CG 4.43Å |
| 309 | K | 89.4 | Confident | 93.7 | Very high | 208 Ų | 208 | 63.1 Ų | 63.1 | 90% | 0.904 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 134.7 | 176.7 | -68.5 | -176.8 | 179.4 | 178.8 | 0 | 111.2 | ||
| 310 | G | 88.9 | Confident | 93.8 | Very high | 62 Ų | 62 | 61.6 Ų | 61.6 | 64% | 0.639 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.7 | 1.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.6 | I308 | I308-G310 PolarHBondContact O-N 3.15Š|
| 311 | Y | 94.3 | Very high | 93.9 | Very high | 16 Ų | 16 | 60.4 Ų | 60.4 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | trans | -102.8 | 7.7 | -176 | -73.5 | -102.6 | 0 | 0 | 0 | 115 | H264 S265 N268 F305 I308 K313 R314 I315 | H264-Y311 HydrophobicContact CB-CE1 4.22Å; H264-Y311 AromaticContact ND1-CE1 3.76Å; H264-Y311 AromaticContact ND1-CZ 3.25Å; H264-Y311 VanDerWaalsContact ND1-CZ 3.25Å; H264-Y311 PolarHBondContact ND1-OH 3.16Å; H264-Y311 PolarHBondContact O-OH 2.92Å; S265-Y311 WeakPolarHBondContact CA-OH 3.43Å; N268-Y311 VanDerWaalsContact ND2-CE1 3.34Å; N268-Y311 WeakPolarHBondContact ND2-CE1 3.48Å; N268-Y311 PolarHBondContact ND2-OH 2.97Å; F305-Y311 HydrophobicContact CB-CD1 4.5Å; F305-Y311 HydrophobicContact CB-CG 4.43Å; F305-Y311 AromaticContact CD1-CD1 3.87Å; F305-Y311 HydrophobicContact CD1-CD1 3.87Å; F305-Y311 HydrophobicContact CD1-CE1 4.37Å; F305-Y311 HydrophobicContact CD1-CG 4.36Å; F305-Y311 AromaticContact CD2-CD1 3.95Å; F305-Y311 HydrophobicContact CD2-CD1 3.95Å; F305-Y311 HydrophobicContact CE1-CD1 4.04Å; F305-Y311 HydrophobicContact CE1-CE1 4.15Å; F305-Y311 HydrophobicContact CE2-CD1 4.1Å; F305-Y311 AromaticContact CG-CD1 3.85Å; F305-Y311 HydrophobicContact CG-CD1 3.85Å; F305-Y311 HydrophobicContact CG-CG 4.24Å; F305-Y311 HydrophobicContact CZ-CD1 4.16Å; F305-Y311 HydrophobicContact CZ-CE1 4.26Å; I308-Y311 HydrophobicContact CB-CD2 3.78Å; I308-Y311 HydrophobicContact CB-CE2 4.21Å; I308-Y311 HydrophobicContact CB-CG 4.42Å; I308-Y311 HydrophobicContact CG2-CD2 3.4Å; I308-Y311 VanDerWaalsContact CG2-CD2 3.4Å; I308-Y311 HydrophobicContact CG2-CE2 3.4Å; I308-Y311 HydrophobicContact CG2-CG 4.43Å; Y311-K313 PolarHBondContact O-N 2.94Å; Y311-K313 VanDerWaalsContact O-N 3.12Å; Y311-R314 HydrophobicContact CD1-CB 4.24Å; Y311-R314 HydrophobicContact CD1-CG 3.89Å; Y311-R314 WeakPolarHBondContact O-CA 3.4Å; Y311-R314 WeakPolarHBondContact O-CB 3.34Å; Y311-R314 PolarHBondContact O-N 3.39Å; Y311-I315 PolarHBondContact O-N 2.85Å | ||
| 312 | S | 92.2 | Very high | 93.9 | Very high | 97 Ų | 97 | 65 Ų | 65 | 68% | 0.678 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -56.6 | -33.9 | -178.2 | -47.5 | 0 | 0 | 0 | 0 | 113.8 | I315 A316 | S312-I315 PolarHBondContact O-N 2.99Å; S312-A316 PolarHBondContact O-N 3.44Å |
| 313 | K | 93.5 | Very high | 93.8 | Very high | 166 Ų | 166 | 69.5 Ų | 69.5 | 72% | 0.722 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.2 | -37.9 | 173.2 | -70.2 | -175.4 | 178.5 | -179.4 | 0 | 112.3 | Y311 A316 D317 | Y311-K313 PolarHBondContact O-N 2.94Å; Y311-K313 VanDerWaalsContact O-N 3.12Å; K313-A316 WeakPolarHBondContact O-CB 3.39Å; K313-A316 PolarHBondContact O-N 3.46Å; K313-D317 PolarHBondContact O-N 3.2Å |
| 314 | R | 95.5 | Very high | 93.8 | Very high | 31 Ų | 31 | 68.1 Ų | 68.1 | 12% | 0.117 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.2 | -34.6 | 177.6 | -56.1 | -63.3 | 159.2 | -123.3 | 8.7 | 111.8 | L267 N268 F305 Y311 A316 D317 I318 | L267-R314 PolarHBondContact O-NE 3.26Å; L267-R314 VanDerWaalsContact O-NE 3.16Å; L267-R314 PolarHBondContact O-NH2 3.22Å; N268-R314 PolarHBondContact OD1-NE 3Å; N268-R314 PolarHBondContact OD1-NH2 3.02Å; F305-R314 HydrophobicContact CD2-CB 3.83Å; F305-R314 HydrophobicContact CE2-CB 4.1Å; Y311-R314 HydrophobicContact CD1-CB 4.24Å; Y311-R314 HydrophobicContact CD1-CG 3.89Å; Y311-R314 WeakPolarHBondContact O-CA 3.4Å; Y311-R314 WeakPolarHBondContact O-CB 3.34Å; Y311-R314 PolarHBondContact O-N 3.39Å; R314-A316 VanDerWaalsContact C-N 3.3Å; R314-A316 PolarHBondContact O-N 3.35Å; R314-D317 IonicContact CZ-OD2 3.96Å; R314-D317 IonicContact NH1-OD2 3.49Å; R314-D317 PolarHBondContact NH1-OD2 2.88Å; R314-D317 WeakPolarHBondContact O-CB 3.33Å; R314-D317 PolarHBondContact O-N 3.3Å; R314-I318 WeakPolarHBondContact O-CD1 3.4Å; R314-I318 VanDerWaalsContact O-CG1 3.26Å; R314-I318 WeakPolarHBondContact O-CG1 3.36Å; R314-I318 PolarHBondContact O-N 3.22Å |
| 315 | I | 95.9 | Very high | 93.7 | Very high | 19 Ų | 19 | 67.3 Ų | 67.3 | 10% | 0.097 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 171.4 | -62.7 | 172.1 | 0 | 0 | 0 | 110.8 | E302 F305 D306 Y311 S312 I318 K319 | E302-I315 HydrophobicContact CG-CG2 4.29Å; F305-I315 HydrophobicContact CB-CG1 4.04Å; D306-I315 HydrophobicContact CB-CD1 4.28Å; Y311-I315 PolarHBondContact O-N 2.85Å; S312-I315 PolarHBondContact O-N 2.99Å; I315-I318 PolarHBondContact O-N 3.44Å; I315-K319 HydrophobicContact CG2-CD 4.4Å; I315-K319 WeakPolarHBondContact O-CG 3.37Å; I315-K319 PolarHBondContact O-N 3.35Å; I315-K319 VanDerWaalsContact O-N 3.08Å |
| 316 | A | 95.3 | Very high | 93.5 | Very high | 59 Ų | 59 | 69.3 Ų | 69.3 | 49% | 0.488 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S312 K313 R314 I318 K319 E320 | S312-A316 PolarHBondContact O-N 3.44Å; K313-A316 WeakPolarHBondContact O-CB 3.39Å; K313-A316 PolarHBondContact O-N 3.46Å; R314-A316 VanDerWaalsContact C-N 3.3Å; R314-A316 PolarHBondContact O-N 3.35Å; A316-I318 VanDerWaalsContact C-N 3.32Å; A316-I318 PolarHBondContact O-N 2.97Å; A316-K319 PolarHBondContact O-N 2.87Å; A316-E320 PolarHBondContact O-N 3.18Å |
| 317 | D | 96.6 | Very high | 93.3 | Very high | 23 Ų | 23 | 66.6 Ų | 66.6 | 12% | 0.123 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58 | -42.3 | 174.1 | -69 | -54.2 | 0 | 0 | 0 | 112.1 | K278 K313 R314 E320 C321 | K278-D317 HydrophobicContact CD-CB 4.2Å; K278-D317 IonicContact NZ-OD1 3.23Å; K278-D317 PolarHBondContact NZ-OD1 3.26Å; K313-D317 PolarHBondContact O-N 3.2Å; R314-D317 IonicContact CZ-OD2 3.96Å; R314-D317 IonicContact NH1-OD2 3.49Å; R314-D317 PolarHBondContact NH1-OD2 2.88Å; R314-D317 WeakPolarHBondContact O-CB 3.33Å; R314-D317 PolarHBondContact O-N 3.3Å; D317-E320 PolarHBondContact O-N 2.92Å; D317-C321 PolarHBondContact O-N 3.1Å; D317-C321 PolarHBondContact O-SG 2.87Å |
| 318 | I | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 177.6 | -67.7 | 158 | 0 | 0 | 0 | 110.6 | W277 L281 H298 E302 F305 R314 I315 A316 C321 R322 | W277-I318 HydrophobicContact CH2-CD1 3.88Å; W277-I318 HydrophobicContact CH2-CG1 3.59Å; W277-I318 HydrophobicContact CZ2-CG1 4.46Å; W277-I318 HydrophobicContact CZ3-CG1 4.2Å; L281-I318 HydrophobicContact CD1-CG1 4.33Å; H298-I318 HydrophobicContact CB-CG2 4.1Å; H298-I318 PolarHBondContact CD2-O 3.34Å; H298-I318 WeakPolarHBondContact O-CG2 3.21Å; E302-I318 HydrophobicContact CB-CG2 4.44Å; F305-I318 HydrophobicContact CD2-CD1 3.8Å; F305-I318 HydrophobicContact CE2-CD1 4.37Å; R314-I318 WeakPolarHBondContact O-CD1 3.4Å; R314-I318 VanDerWaalsContact O-CG1 3.26Å; R314-I318 WeakPolarHBondContact O-CG1 3.36Å; R314-I318 PolarHBondContact O-N 3.22Å; I315-I318 PolarHBondContact O-N 3.44Å; A316-I318 VanDerWaalsContact C-N 3.32Å; A316-I318 PolarHBondContact O-N 2.97Å; I318-C321 PolarHBondContact O-N 3.19Å; I318-R322 WeakPolarHBondContact O-CB 3.33Å; I318-R322 PolarHBondContact O-N 3.25Å |
| 319 | K | 96.1 | Very high | 93.6 | Very high | 94 Ų | 94 | 64.9 Ų | 64.9 | 41% | 0.409 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 179.3 | -72.2 | 177.3 | -177.9 | -178.7 | 0 | 111.7 | E302 I315 A316 C321 R322 E323 | E302-K319 WeakPolarHBondContact OE1-CE 3.33Å; E302-K319 IonicContact OE1-NZ 2.64Å; E302-K319 PolarHBondContact OE1-NZ 2.86Å; I315-K319 HydrophobicContact CG2-CD 4.4Å; I315-K319 WeakPolarHBondContact O-CG 3.37Å; I315-K319 PolarHBondContact O-N 3.35Å; I315-K319 VanDerWaalsContact O-N 3.08Å; A316-K319 PolarHBondContact O-N 2.87Å; K319-C321 PolarHBondContact O-N 3.44Å; K319-R322 WeakPolarHBondContact O-CB 3.39Å; K319-R322 PolarHBondContact O-N 3.37Å; K319-E323 WeakPolarHBondContact O-CG 3.47Å; K319-E323 PolarHBondContact O-N 3.29Å |
| 320 | E | 96.8 | Very high | 93.7 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 39% | 0.393 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.3 | -47.9 | 174.4 | -172.5 | -149.9 | 137.9 | 0 | 0 | 111.5 | K278 R282 A316 D317 R322 E323 H324 | K278-E320 IonicContact NZ-OE1 3.18Å; K278-E320 IonicContact NZ-OE2 2.71Å; K278-E320 PolarHBondContact NZ-OE2 3.25Å; R282-E320 IonicContact CZ-OE1 3.02Å; R282-E320 IonicContact NH2-OE1 3.3Å; R282-E320 PolarHBondContact NH2-OE1 3.04Å; A316-E320 PolarHBondContact O-N 3.18Å; D317-E320 PolarHBondContact O-N 2.92Å; E320-R322 VanDerWaalsContact C-N 3.33Å; E320-R322 PolarHBondContact O-N 2.89Å; E320-E323 PolarHBondContact O-N 2.66Å; E320-H324 PolarHBondContact O-N 3.05Å |
| 321 | C | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 178.4 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | L281 R282 D317 I318 K319 E323 H324 V325 | L281-C321 HydrophobicContact CB-CB 3.77Å; L281-C321 HydrophobicContact CD1-CB 4.44Å; R282-C321 HydrophobicContact CG-CB 3.97Å; D317-C321 PolarHBondContact O-N 3.1Å; D317-C321 PolarHBondContact O-SG 2.87Å; I318-C321 PolarHBondContact O-N 3.19Å; K319-C321 PolarHBondContact O-N 3.44Å; C321-E323 PolarHBondContact O-N 3.1Å; C321-H324 WeakPolarHBondContact O-CB 3.35Å; C321-H324 PolarHBondContact O-N 2.91Å; C321-V325 WeakPolarHBondContact O-CG2 3.27Å; C321-V325 PolarHBondContact O-N 3.32Å |
| 322 | R | 95.3 | Very high | 93.9 | Very high | 95 Ų | 95 | 55.4 Ų | 55.4 | 36% | 0.358 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 176.7 | -172.9 | -179.6 | 174.4 | 178.1 | -3.3 | 111.7 | L285 H298 I318 K319 E320 H324 V325 L326 | L285-R322 HydrophobicContact CD2-CG 4.27Å; H298-R322 HydrophobicContact CB-CB 4.26Å; H298-R322 HydrophobicContact CB-CG 4.2Å; H298-R322 VanDerWaalsContact CD2-CB 3.48Å; H298-R322 WeakPolarHBondContact CD2-CB 3.47Å; H298-R322 PolarHBondContact NE2-N 2.86Å; I318-R322 WeakPolarHBondContact O-CB 3.33Å; I318-R322 PolarHBondContact O-N 3.25Å; K319-R322 WeakPolarHBondContact O-CB 3.39Å; K319-R322 PolarHBondContact O-N 3.37Å; E320-R322 VanDerWaalsContact C-N 3.33Å; E320-R322 PolarHBondContact O-N 2.89Å; R322-H324 VanDerWaalsContact C-N 3.32Å; R322-V325 PolarHBondContact O-N 2.96Å; R322-L326 HydrophobicContact CG-CD1 4.16Å; R322-L326 VanDerWaalsContact O-CG 3.27Å; R322-L326 WeakPolarHBondContact O-CG 3.37Å; R322-L326 PolarHBondContact O-N 3.33Å; R322-L326 VanDerWaalsContact O-N 3.08Å |
| 323 | E | 93.7 | Very high | 94.1 | Very high | 138 Ų | 138 | 50.9 Ų | 50.9 | 65% | 0.645 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -61.7 | -41.8 | 176.7 | -73.3 | 176.4 | -177.3 | 0 | 0 | 111.3 | K319 E320 C321 V325 L326 A327 | K319-E323 WeakPolarHBondContact O-CG 3.47Å; K319-E323 PolarHBondContact O-N 3.29Å; E320-E323 PolarHBondContact O-N 2.66Å; C321-E323 PolarHBondContact O-N 3.1Å; E323-V325 PolarHBondContact O-N 2.87Å; E323-L326 PolarHBondContact O-N 3.26Å; E323-A327 WeakPolarHBondContact O-CB 3.27Å; E323-A327 PolarHBondContact O-N 3.47Å; E323-A327 VanDerWaalsContact O-N 3.09Å |
| 324 | H | 94.2 | Very high | 94.2 | Very high | 72 Ų | 72 | 47.3 Ų | 47.3 | 33% | 0.333 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.3 | -45.9 | 174.4 | 176.2 | -83 | 0 | 0 | 0 | 112.5 | R282 E320 C321 R322 A327 N328 | R282-H324 HydrophobicContact CG-CB 4.33Å; E320-H324 PolarHBondContact O-N 3.05Å; C321-H324 WeakPolarHBondContact O-CB 3.35Å; C321-H324 PolarHBondContact O-N 2.91Å; R322-H324 VanDerWaalsContact C-N 3.32Å; H324-A327 PolarHBondContact O-N 3.26Å; H324-N328 PolarHBondContact CD2-ND2 3.42Å; H324-N328 VanDerWaalsContact CD2-ND2 3.3Å; H324-N328 WeakPolarHBondContact O-CB 3.2Å; H324-N328 PolarHBondContact O-N 3.02Å; H324-N328 PolarHBondContact O-ND2 3.17Å |
| 325 | V | 92.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -61.5 | -46.6 | 179.7 | 173.6 | 0 | 0 | 0 | 0 | 111 | L281 R282 L285 C321 R322 E323 A327 C329 | L281-V325 WeakPolarHBondContact O-CG2 3.34Å; R282-V325 WeakPolarHBondContact O-CG2 3.49Å; L285-V325 HydrophobicContact CD2-CB 4.11Å; L285-V325 HydrophobicContact CD2-CG1 3.72Å; L285-V325 HydrophobicContact CG-CG1 3.61Å; C321-V325 WeakPolarHBondContact O-CG2 3.27Å; C321-V325 PolarHBondContact O-N 3.32Å; R322-V325 PolarHBondContact O-N 2.96Å; E323-V325 PolarHBondContact O-N 2.87Å; V325-A327 PolarHBondContact O-N 3.42Å; V325-C329 HydrophobicContact CB-CB 4.41Å; V325-C329 HydrophobicContact CG1-CB 3.81Å; V325-C329 WeakPolarHBondContact O-CB 3.31Å; V325-C329 PolarHBondContact O-N 3.04Å; V325-C329 VanDerWaalsContact O-N 3.12Å |
| 326 | L | 89.7 | Confident | 94.3 | Very high | 44 Ų | 44 | 48.3 Ų | 48.3 | 23% | 0.23 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -62 | -29.5 | 179.6 | -69.8 | 171.2 | 0 | 0 | 0 | 112.4 | L285 R322 E323 M386 M389 | L285-L326 HydrophobicContact CD1-CD2 3.8Å; R322-L326 HydrophobicContact CG-CD1 4.16Å; R322-L326 VanDerWaalsContact O-CG 3.27Å; R322-L326 WeakPolarHBondContact O-CG 3.37Å; R322-L326 PolarHBondContact O-N 3.33Å; R322-L326 VanDerWaalsContact O-N 3.08Å; E323-L326 PolarHBondContact O-N 3.26Å; L326-M386 HydrophobicContact CD2-CE 4.11Å; L326-M389 HydrophobicContact CB-CE 3.8Å; L326-M389 HydrophobicContact CD2-CE 3.78Å; L326-M389 HydrophobicContact CD2-SD 3.47Å; L326-M389 WeakPolarHBondContact CD2-SD 3.44Å; L326-M389 HydrophobicContact CG-CE 4.32Å; L326-M389 WeakPolarHBondContact O-CE 3.5Å |
| 327 | A | 89.8 | Confident | 94.4 | Very high | 73 Ų | 73 | 45.5 Ų | 45.5 | 60% | 0.603 | 23% | 0.227 | S | C | * | . | I | π-helix | trans | -87.8 | -38.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E323 H324 V325 | E323-A327 WeakPolarHBondContact O-CB 3.27Å; E323-A327 PolarHBondContact O-N 3.47Å; E323-A327 VanDerWaalsContact O-N 3.09Å; H324-A327 PolarHBondContact O-N 3.26Å; V325-A327 PolarHBondContact O-N 3.42Å |
| 328 | N | 91.1 | Very high | 94.5 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 43% | 0.428 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -120 | -27.5 | -163 | -56.9 | -68.7 | 0 | 0 | 0 | 115 | H324 G330 M332 | H324-N328 PolarHBondContact CD2-ND2 3.42Å; H324-N328 VanDerWaalsContact CD2-ND2 3.3Å; H324-N328 WeakPolarHBondContact O-CB 3.2Å; H324-N328 PolarHBondContact O-N 3.02Å; H324-N328 PolarHBondContact O-ND2 3.17Å; N328-G330 PolarHBondContact O-N 3.27Å; N328-M332 PolarHBondContact O-N 3.24Å; N328-M332 VanDerWaalsContact O-N 3.13Å |
| 329 | C | 90.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -69 | -40.5 | -165 | -146.5 | 0 | 0 | 0 | 0 | 112.5 | S283 V325 A331 M332 H333 W378 | S283-C329 PolarHBondContact O-SG 3.09Å; V325-C329 HydrophobicContact CB-CB 4.41Å; V325-C329 HydrophobicContact CG1-CB 3.81Å; V325-C329 WeakPolarHBondContact O-CB 3.31Å; V325-C329 PolarHBondContact O-N 3.04Å; V325-C329 VanDerWaalsContact O-N 3.12Å; C329-A331 PolarHBondContact O-N 3.39Å; C329-M332 PolarHBondContact O-N 3.4Å; C329-H333 PolarHBondContact O-CD2 3.29Å; C329-H333 VanDerWaalsContact O-CD2 3.27Å; C329-H333 PolarHBondContact O-N 3.41Å; C329-H333 VanDerWaalsContact SG-CD2 3.6Å; C329-W378 HydrophobicContact CB-CZ2 4.23Å |
| 330 | G | 91.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.5 | -53.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N328 M332 R334 | N328-G330 PolarHBondContact O-N 3.27Å; G330-M332 PolarHBondContact O-N 2.89Å; G330-R334 WeakPolarHBondContact O-CB 3.32Å; G330-R334 PolarHBondContact O-N 3.4Å |
| 331 | A | 92.5 | Very high | 94.6 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 28% | 0.281 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.3 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C329 H333 R334 E335 | C329-A331 PolarHBondContact O-N 3.39Å; A331-H333 PolarHBondContact O-N 3.2Å; A331-R334 PolarHBondContact O-N 2.88Å; A331-E335 WeakPolarHBondContact O-CG 3.19Å; A331-E335 PolarHBondContact O-N 3.34Å |
| 332 | M | 94.7 | Very high | 94.6 | Very high | 50 Ų | 50 | 45.7 Ų | 45.7 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.7 | -49.2 | -179.9 | -179.4 | -174.9 | 135.5 | 0 | 0 | 112.4 | N328 C329 G330 E335 R336 | N328-M332 PolarHBondContact O-N 3.24Å; N328-M332 VanDerWaalsContact O-N 3.13Å; C329-M332 PolarHBondContact O-N 3.4Å; G330-M332 PolarHBondContact O-N 2.89Å; M332-E335 PolarHBondContact O-N 3.41Å; M332-R336 PolarHBondContact O-N 3.13Å; M332-R336 VanDerWaalsContact O-N 3.09Å |
| 333 | H | 95.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.2 | -33.4 | 179.3 | -76.5 | -81.6 | 0 | 0 | 0 | 112.3 | S283 C329 A331 E335 R336 R337 E375 W378 | S283-H333 PolarHBondContact O-NE2 3.45Å; C329-H333 PolarHBondContact O-CD2 3.29Å; C329-H333 VanDerWaalsContact O-CD2 3.27Å; C329-H333 PolarHBondContact O-N 3.41Å; C329-H333 VanDerWaalsContact SG-CD2 3.6Å; A331-H333 PolarHBondContact O-N 3.2Å; H333-E335 VanDerWaalsContact C-N 3.34Å; H333-E335 PolarHBondContact O-N 2.94Å; H333-R336 PolarHBondContact O-N 3.11Å; H333-R337 WeakPolarHBondContact O-CG 3.48Å; H333-R337 PolarHBondContact O-N 2.93Å; H333-R337 PolarHBondContact O-NH1 2.79Å; H333-E375 WeakPolarHBondContact CB-OE2 3.42Å; H333-E375 IonicContact CE1-OE1 2.83Å; H333-E375 IonicContact CE1-OE2 3Å; H333-E375 IonicContact CG-OE2 2.75Å; H333-E375 IonicContact ND1-OE1 3.49Å; H333-E375 PolarHBondContact ND1-OE1 3.07Å; H333-E375 IonicContact ND1-OE2 3.81Å; H333-E375 PolarHBondContact ND1-OE2 3.41Å; H333-W378 HydrophobicContact CB-CD2 4.14Å; H333-W378 HydrophobicContact CB-CE3 3.68Å; H333-W378 HydrophobicContact CB-CH2 3.97Å; H333-W378 HydrophobicContact CB-CZ2 4.39Å; H333-W378 HydrophobicContact CB-CZ3 3.6Å; H333-W378 AromaticContact CD2-CD2 3.73Å; H333-W378 AromaticContact CD2-CE2 3.26Å; H333-W378 AromaticContact CD2-CH2 3.71Å; H333-W378 AromaticContact CD2-CZ2 3.28Å; H333-W378 WeakPolarHBondContact CD2-CZ2 3.4Å; H333-W378 AromaticContact CD2-NE1 3.61Å; H333-W378 AromaticContact CE1-CD1 3.53Å; H333-W378 AromaticContact CE1-CD2 3.95Å; H333-W378 AromaticContact CE1-CE2 3.86Å; H333-W378 AromaticContact CE1-CG 3.82Å; H333-W378 AromaticContact CE1-NE1 3.55Å; H333-W378 AromaticContact CG-CD2 3.61Å; H333-W378 AromaticContact CG-CE2 3.68Å; H333-W378 AromaticContact CG-CE3 3.7Å; H333-W378 AromaticContact CG-CH2 3.98Å; H333-W378 AromaticContact CG-CZ2 3.89Å; H333-W378 AromaticContact CG-CZ3 3.89Å; H333-W378 AromaticContact ND1-CD2 3.77Å; H333-W378 AromaticContact ND1-CG 3.85Å; H333-W378 AromaticContact NE2-CD1 3.69Å; H333-W378 AromaticContact NE2-CD2 3.96Å; H333-W378 AromaticContact NE2-CE2 3.42Å; H333-W378 AromaticContact NE2-CZ2 3.83Å; H333-W378 AromaticContact NE2-NE1 3.19Å; H333-W378 PolarHBondContact NE2-NE1 2.83Å; H333-W378 VanDerWaalsContact NE2-NE1 3.19Å |
| 334 | R | 95.6 | Very high | 95 | Very high | 92 Ų | 92 | 35.1 Ų | 35.1 | 35% | 0.347 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.5 | -46.3 | 171.2 | -175.5 | -175.9 | 66.5 | -156.5 | -12.5 | 111.6 | G330 A331 R336 R337 H338 D394 | G330-R334 WeakPolarHBondContact O-CB 3.32Å; G330-R334 PolarHBondContact O-N 3.4Å; A331-R334 PolarHBondContact O-N 2.88Å; R334-R336 VanDerWaalsContact C-N 3.33Å; R334-R336 PolarHBondContact O-N 3.26Å; R334-R337 PolarHBondContact O-N 3.41Å; R334-H338 PolarHBondContact O-N 3.48Å; R334-D394 IonicContact CZ-OD1 2.71Å; R334-D394 VanDerWaalsContact CZ-OD1 3.3Å; R334-D394 IonicContact NH1-OD1 2.6Å; R334-D394 PolarHBondContact NH1-OD1 3.43Å; R334-D394 IonicContact NH2-OD1 2.75Å |
| 335 | E | 96.8 | Very high | 95.1 | Very high | 70 Ų | 70 | 35.5 Ų | 35.5 | 33% | 0.327 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.5 | -34.5 | 178.1 | -70.1 | -55.9 | 125.4 | 0 | 0 | 112.9 | A215 R219 A331 M332 H333 H338 F339 | A215-E335 HydrophobicContact CB-CB 3.87Å; A215-E335 WeakPolarHBondContact CB-O 3.42Å; R219-E335 IonicContact NH2-OE2 3.15Å; A331-E335 WeakPolarHBondContact O-CG 3.19Å; A331-E335 PolarHBondContact O-N 3.34Å; M332-E335 PolarHBondContact O-N 3.41Å; H333-E335 VanDerWaalsContact C-N 3.34Å; H333-E335 PolarHBondContact O-N 2.94Å; E335-H338 PolarHBondContact O-N 2.61Å; E335-F339 PolarHBondContact O-N 3.32Å |
| 336 | R | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -46.7 | 173 | -75.7 | -175.3 | 167.6 | 171 | 1.6 | 112 | N212 L213 A215 W218 M249 M332 H333 R334 H338 F339 L340 E375 | N212-R336 PolarHBondContact O-NH2 3.3Å; N212-R336 PolarHBondContact OD1-NH2 3.23Å; L213-R336 VanDerWaalsContact O-CZ 3.3Å; L213-R336 PolarHBondContact O-NE 3.29Å; L213-R336 PolarHBondContact O-NH2 3.41Å; A215-R336 HydrophobicContact CB-CG 4.34Å; W218-R336 HydrophobicContact CE3-CB 4.45Å; W218-R336 HydrophobicContact CE3-CG 4.07Å; W218-R336 HydrophobicContact CH2-CB 4.05Å; W218-R336 VanDerWaalsContact CH2-CD 3.42Å; W218-R336 HydrophobicContact CH2-CG 3.64Å; W218-R336 HydrophobicContact CZ2-CG 4.36Å; W218-R336 HydrophobicContact CZ3-CB 3.63Å; W218-R336 HydrophobicContact CZ3-CG 3.47Å; W218-R336 VanDerWaalsContact CZ3-CG 3.47Å; M249-R336 PolarHBondContact SD-NH1 2.99Å; M249-R336 VanDerWaalsContact SD-NH1 3.39Å; M332-R336 PolarHBondContact O-N 3.13Å; M332-R336 VanDerWaalsContact O-N 3.09Å; H333-R336 PolarHBondContact O-N 3.11Å; R334-R336 VanDerWaalsContact C-N 3.33Å; R334-R336 PolarHBondContact O-N 3.26Å; R336-H338 VanDerWaalsContact C-N 3.29Å; R336-H338 PolarHBondContact O-N 3.29Å; R336-F339 PolarHBondContact O-N 2.7Å; R336-L340 WeakPolarHBondContact O-CB 3.3Å; R336-L340 VanDerWaalsContact O-CG 3.31Å; R336-L340 WeakPolarHBondContact O-CG 3.3Å; R336-L340 PolarHBondContact O-N 2.96Å; R336-E375 HydrophobicContact CB-CG 4.18Å; R336-E375 WeakPolarHBondContact CD-OE1 3.18Å; R336-E375 IonicContact CZ-OE1 3.35Å; R336-E375 IonicContact NE-OE1 3.07Å; R336-E375 IonicContact NH1-OE1 3.23Å; R336-E375 PolarHBondContact NH1-OE1 3.44Å; R336-E375 VanDerWaalsContact NH1-OE1 3.13Å |
| 337 | R | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.9 | -40.9 | 175.3 | -68.1 | -170.5 | -54.4 | -87.4 | 7.9 | 111.8 | H333 R334 L340 R341 E375 D394 D397 L403 | H333-R337 WeakPolarHBondContact O-CG 3.48Å; H333-R337 PolarHBondContact O-N 2.93Å; H333-R337 PolarHBondContact O-NH1 2.79Å; R334-R337 PolarHBondContact O-N 3.41Å; R337-L340 PolarHBondContact O-N 3.47Å; R337-R341 WeakPolarHBondContact O-CG 3.1Å; R337-R341 PolarHBondContact O-N 3.19Å; R337-E375 HydrophobicContact CG-CB 3.82Å; R337-E375 HydrophobicContact CG-CG 4.44Å; R337-D394 PolarHBondContact NH2-O 3.49Å; R337-D397 WeakPolarHBondContact CD-OD2 3.38Å; R337-D397 IonicContact CZ-OD2 3.24Å; R337-D397 IonicContact NE-OD2 2.76Å; R337-D397 PolarHBondContact NE-OD2 3.24Å; R337-L403 HydrophobicContact CG-CD2 4.44Å |
| 338 | H | 97 | Very high | 96.2 | Very high | 87 Ų | 87 | 33.1 Ų | 33.1 | 40% | 0.403 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 174.9 | -178.2 | 67.7 | 0 | 0 | 0 | 112.2 | R334 E335 R336 L340 R341 | R334-H338 PolarHBondContact O-N 3.48Å; E335-H338 PolarHBondContact O-N 2.61Å; R336-H338 VanDerWaalsContact C-N 3.29Å; R336-H338 PolarHBondContact O-N 3.29Å; H338-L340 PolarHBondContact O-N 3.06Å; H338-R341 PolarHBondContact O-N 3.44Å |
| 339 | F | 98.3 | Very high | 96.5 | Very high | 21 Ų | 21 | 34.4 Ų | 34.4 | 9% | 0.092 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.6 | -48.1 | 175 | 174.7 | -93.1 | 0 | 0 | 0 | 112.1 | A215 W218 R219 L223 E335 R336 R341 V342 A343 | A215-F339 HydrophobicContact CB-CB 4.21Å; W218-F339 HydrophobicContact CB-CD1 4.17Å; W218-F339 HydrophobicContact CB-CD2 4.45Å; W218-F339 HydrophobicContact CB-CE1 3.84Å; W218-F339 HydrophobicContact CB-CE2 4.14Å; W218-F339 HydrophobicContact CB-CG 4.45Å; W218-F339 HydrophobicContact CB-CZ 3.82Å; W218-F339 HydrophobicContact CD2-CD1 4.39Å; W218-F339 HydrophobicContact CD2-CE1 4.5Å; W218-F339 AromaticContact CE3-CD1 3.52Å; W218-F339 HydrophobicContact CE3-CD1 3.52Å; W218-F339 HydrophobicContact CE3-CE1 4.01Å; W218-F339 HydrophobicContact CE3-CG 4.19Å; W218-F339 HydrophobicContact CZ3-CD1 4.26Å; R219-F339 HydrophobicContact CB-CE2 4.38Å; R219-F339 HydrophobicContact CG-CD2 3.47Å; R219-F339 VanDerWaalsContact CG-CD2 3.47Å; R219-F339 HydrophobicContact CG-CE2 3.64Å; L223-F339 HydrophobicContact CB-CE1 4.32Å; L223-F339 HydrophobicContact CB-CZ 4.06Å; L223-F339 WeakPolarHBondContact O-CZ 3.31Å; E335-F339 PolarHBondContact O-N 3.32Å; R336-F339 PolarHBondContact O-N 2.7Å; F339-R341 VanDerWaalsContact C-N 3.33Å; F339-R341 PolarHBondContact O-N 3.19Å; F339-V342 PolarHBondContact O-N 3.31Å; F339-V342 VanDerWaalsContact O-N 3.14Å; F339-A343 HydrophobicContact CD1-CB 4.36Å; F339-A343 HydrophobicContact CE1-CB 3.96Å; F339-A343 HydrophobicContact CZ-CB 4.28Å; F339-A343 PolarHBondContact O-N 2.9Å |
| 340 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.7 | -37.5 | -177.3 | -72.4 | 168.2 | 0 | 0 | 0 | 112.2 | W218 L224 R336 R337 H338 V342 A343 L344 F371 E375 L403 | W218-L340 HydrophobicContact CZ3-CD1 4.23Å; W218-L340 HydrophobicContact CZ3-CD2 4.37Å; W218-L340 HydrophobicContact CZ3-CG 4.11Å; L224-L340 HydrophobicContact CD1-CD2 4.36Å; R336-L340 WeakPolarHBondContact O-CB 3.3Å; R336-L340 VanDerWaalsContact O-CG 3.31Å; R336-L340 WeakPolarHBondContact O-CG 3.3Å; R336-L340 PolarHBondContact O-N 2.96Å; R337-L340 PolarHBondContact O-N 3.47Å; H338-L340 PolarHBondContact O-N 3.06Å; L340-V342 VanDerWaalsContact C-N 3.29Å; L340-V342 PolarHBondContact O-N 2.98Å; L340-A343 PolarHBondContact O-N 3.33Å; L340-L344 HydrophobicContact CB-CD1 4.24Å; L340-L344 HydrophobicContact CD2-CD1 4.02Å; L340-L344 VanDerWaalsContact O-CB 3.3Å; L340-L344 WeakPolarHBondContact O-CB 3.38Å; L340-L344 VanDerWaalsContact O-CD1 3.29Å; L340-L344 WeakPolarHBondContact O-CD1 3.42Å; L340-L344 PolarHBondContact O-N 2.92Å; L340-F371 HydrophobicContact CD1-CB 4.21Å; L340-F371 HydrophobicContact CD2-CB 3.89Å; L340-F371 HydrophobicContact CD2-CD2 4.44Å; L340-E375 HydrophobicContact CD1-CB 4.35Å; L340-E375 HydrophobicContact CD1-CG 3.78Å; L340-L403 HydrophobicContact CB-CD1 4.01Å |
| 341 | R | 97.8 | Very high | 97 | Very high | 12 Ų | 12 | 35.4 Ų | 35.4 | 5% | 0.045 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.7 | -43.5 | 174 | -77.1 | -172.1 | -73.2 | -90.7 | 12.9 | 112.3 | R337 H338 F339 K345 D397 Q399 E402 L403 | R337-R341 WeakPolarHBondContact O-CG 3.1Å; R337-R341 PolarHBondContact O-N 3.19Å; H338-R341 PolarHBondContact O-N 3.44Å; F339-R341 VanDerWaalsContact C-N 3.33Å; F339-R341 PolarHBondContact O-N 3.19Å; R341-K345 WeakPolarHBondContact O-CB 3.36Å; R341-K345 PolarHBondContact O-N 3.01Å; R341-D397 IonicContact CZ-OD1 2.99Å; R341-D397 IonicContact CZ-OD2 2.66Å; R341-D397 IonicContact NH1-OD1 3.86Å; R341-D397 PolarHBondContact NH1-OD1 2.95Å; R341-D397 IonicContact NH1-OD2 3.38Å; R341-D397 PolarHBondContact NH1-OD2 3.33Å; R341-D397 IonicContact NH2-OD1 2.76Å; R341-D397 IonicContact NH2-OD2 3.06Å; R341-Q399 WeakPolarHBondContact CD-O 3.38Å; R341-E402 HydrophobicContact CG-CB 4.49Å; R341-E402 HydrophobicContact CG-CG 4.46Å; R341-L403 HydrophobicContact CG-CB 3.87Å; R341-L403 HydrophobicContact CG-CD1 4.22Å |
| 342 | V | 97.1 | Very high | 97.3 | Very high | 85 Ų | 85 | 37.6 Ų | 37.6 | 52% | 0.515 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -70.6 | -47.1 | 178.4 | -178 | 0 | 0 | 0 | 0 | 110.8 | F339 L340 K345 E346 | F339-V342 PolarHBondContact O-N 3.31Å; F339-V342 VanDerWaalsContact O-N 3.14Å; L340-V342 VanDerWaalsContact C-N 3.29Å; L340-V342 PolarHBondContact O-N 2.98Å; V342-K345 PolarHBondContact O-N 3.27Å; V342-E346 PolarHBondContact O-N 3.47Å |
| 343 | A | 98 | Very high | 97.4 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L224 F339 L340 K345 E346 L347 | L224-A343 HydrophobicContact CD1-CB 4.48Å; F339-A343 HydrophobicContact CD1-CB 4.36Å; F339-A343 HydrophobicContact CE1-CB 3.96Å; F339-A343 HydrophobicContact CZ-CB 4.28Å; F339-A343 PolarHBondContact O-N 2.9Å; L340-A343 PolarHBondContact O-N 3.33Å; A343-K345 VanDerWaalsContact C-N 3.32Å; A343-K345 PolarHBondContact O-N 2.97Å; A343-E346 PolarHBondContact O-N 3.41Å; A343-L347 VanDerWaalsContact O-CB 3.26Å; A343-L347 WeakPolarHBondContact O-CB 3.5Å; A343-L347 PolarHBondContact O-N 3.46Å |
| 344 | L | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.8 | -36.4 | 178.1 | -91.4 | 68.7 | 0 | 0 | 0 | 111.8 | L340 F348 A368 S372 L403 F406 M407 L410 | L340-L344 HydrophobicContact CB-CD1 4.24Å; L340-L344 HydrophobicContact CD2-CD1 4.02Å; L340-L344 VanDerWaalsContact O-CB 3.3Å; L340-L344 WeakPolarHBondContact O-CB 3.38Å; L340-L344 VanDerWaalsContact O-CD1 3.29Å; L340-L344 WeakPolarHBondContact O-CD1 3.42Å; L340-L344 PolarHBondContact O-N 2.92Å; L344-F348 WeakPolarHBondContact O-CB 3.38Å; L344-F348 PolarHBondContact O-N 3.34Å; L344-A368 HydrophobicContact CD1-CB 3.83Å; L344-A368 HydrophobicContact CG-CB 4.13Å; L344-S372 WeakPolarHBondContact CD1-OG 3.47Å; L344-S372 VanDerWaalsContact CD2-OG 3.22Å; L344-S372 WeakPolarHBondContact CD2-OG 3.47Å; L344-L403 HydrophobicContact CD2-CD1 4.24Å; L344-F406 HydrophobicContact CB-CB 3.88Å; L344-F406 HydrophobicContact CD2-CB 4.34Å; L344-M407 HydrophobicContact CD2-CG 3.87Å; L344-L410 HydrophobicContact CB-CD1 4.44Å; L344-L410 HydrophobicContact CD2-CD1 4.18Å; L344-L410 HydrophobicContact CG-CD1 3.92Å |
| 345 | K | 97.5 | Very high | 97.5 | Very high | 81 Ų | 81 | 43.1 Ų | 43.1 | 35% | 0.352 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64 | -46.8 | 176.1 | 179.9 | 170.7 | -168.1 | 166.5 | 0 | 112 | R341 V342 A343 K349 E402 F406 Y560 | R341-K345 WeakPolarHBondContact O-CB 3.36Å; R341-K345 PolarHBondContact O-N 3.01Å; V342-K345 PolarHBondContact O-N 3.27Å; A343-K345 VanDerWaalsContact C-N 3.32Å; A343-K345 PolarHBondContact O-N 2.97Å; K345-K349 WeakPolarHBondContact O-CB 3.47Å; K345-K349 VanDerWaalsContact O-CG 3.24Å; K345-K349 WeakPolarHBondContact O-CG 3.36Å; K345-K349 PolarHBondContact O-N 3.38Å; K345-E402 IonicContact NZ-OE1 3.91Å; K345-E402 PolarHBondContact NZ-OE1 3.35Å; K345-E402 VanDerWaalsContact NZ-OE1 3.16Å; K345-F406 HydrophobicContact CB-CD1 4.47Å; K345-F406 HydrophobicContact CB-CD2 3.92Å; K345-F406 HydrophobicContact CB-CE1 4.16Å; K345-F406 HydrophobicContact CB-CE2 3.55Å; K345-F406 HydrophobicContact CB-CG 4.39Å; K345-F406 HydrophobicContact CB-CZ 3.71Å; K345-F406 HydrophobicContact CD-CE2 3.74Å; K345-F406 HydrophobicContact CD-CZ 3.72Å; K345-F406 HydrophobicContact CG-CE1 4Å; K345-F406 HydrophobicContact CG-CE2 3.69Å; K345-F406 HydrophobicContact CG-CZ 3.41Å; K345-F406 VanDerWaalsContact CG-CZ 3.41Å; K345-Y560 PolarHBondContact NZ-OH 2.99Å |
| 346 | E | 97.5 | Very high | 97.5 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.1 | -52.3 | 174.8 | -178.7 | -177.7 | 112 | 0 | 0 | 110.5 | S225 L227 V342 A343 F348 K349 V350 | S225-E346 WeakPolarHBondContact CA-OE1 3.47Å; S225-E346 WeakPolarHBondContact CB-OE1 3.35Å; S225-E346 PolarHBondContact OG-OE1 3.24Å; L227-E346 HydrophobicContact CD1-CG 4.04Å; V342-E346 PolarHBondContact O-N 3.47Å; A343-E346 PolarHBondContact O-N 3.41Å; E346-F348 PolarHBondContact O-N 2.89Å; E346-K349 PolarHBondContact O-N 3.01Å; E346-K349 VanDerWaalsContact O-N 3.14Å; E346-V350 WeakPolarHBondContact O-CG2 3.24Å; E346-V350 PolarHBondContact O-N 3.4Å |
| 347 | L | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.1 | -49.6 | -180 | -180 | 62.1 | 0 | 0 | 0 | 111.3 | L226 A343 K349 V350 L351 F364 A368 L410 | L226-L347 HydrophobicContact CD1-CD1 3.62Å; L226-L347 HydrophobicContact CD2-CD1 4.45Å; L226-L347 HydrophobicContact CG-CD1 3.81Å; A343-L347 VanDerWaalsContact O-CB 3.26Å; A343-L347 WeakPolarHBondContact O-CB 3.5Å; A343-L347 PolarHBondContact O-N 3.46Å; L347-K349 PolarHBondContact O-N 3.01Å; L347-V350 PolarHBondContact O-N 3.43Å; L347-L351 HydrophobicContact CD1-CD1 3.71Å; L347-L351 HydrophobicContact CD1-CG 4.16Å; L347-L351 HydrophobicContact CG-CD1 3.82Å; L347-L351 WeakPolarHBondContact O-CB 3.41Å; L347-L351 WeakPolarHBondContact O-CG 3.21Å; L347-L351 PolarHBondContact O-N 3.45Å; L347-F364 HydrophobicContact CD1-CB 4.4Å; L347-F364 HydrophobicContact CD2-CB 4.49Å; L347-A368 HydrophobicContact CD2-CB 3.69Å; L347-L410 HydrophobicContact CD2-CD1 4.33Å; L347-L410 HydrophobicContact CG-CD2 4.38Å |
| 348 | F | 97.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 176.9 | 167.9 | -106.4 | 0 | 0 | 0 | 111.7 | L344 E346 V350 L351 E352 F406 K409 L410 L413 | L344-F348 WeakPolarHBondContact O-CB 3.38Å; L344-F348 PolarHBondContact O-N 3.34Å; E346-F348 PolarHBondContact O-N 2.89Å; F348-V350 PolarHBondContact O-N 3.16Å; F348-L351 PolarHBondContact O-N 3.38Å; F348-E352 WeakPolarHBondContact CE1-OE2 3.42Å; F348-E352 HydrophobicContact CE2-CB 4.13Å; F348-E352 HydrophobicContact CZ-CB 4.1Å; F348-E352 HydrophobicContact CZ-CG 4.17Å; F348-E352 WeakPolarHBondContact CZ-OE1 3.2Å; F348-E352 WeakPolarHBondContact CZ-OE2 3.37Å; F348-E352 VanDerWaalsContact O-CB 3.22Å; F348-E352 WeakPolarHBondContact O-CB 3.23Å; F348-E352 PolarHBondContact O-N 2.97Å; F348-F406 HydrophobicContact CB-CD1 4.04Å; F348-F406 AromaticContact CD1-CD1 3.73Å; F348-F406 HydrophobicContact CD1-CD1 3.73Å; F348-F406 AromaticContact CD1-CE1 3.67Å; F348-F406 HydrophobicContact CD1-CE1 3.67Å; F348-F406 HydrophobicContact CE1-CE1 4.3Å; F348-F406 HydrophobicContact CG-CD1 4.03Å; F348-F406 HydrophobicContact CG-CE1 4.42Å; F348-K409 HydrophobicContact CD2-CB 3.67Å; F348-K409 HydrophobicContact CE1-CB 4.35Å; F348-K409 HydrophobicContact CE1-CG 4.37Å; F348-K409 HydrophobicContact CE2-CB 3.51Å; F348-K409 HydrophobicContact CE2-CD 4.12Å; F348-K409 HydrophobicContact CE2-CG 4.13Å; F348-K409 HydrophobicContact CG-CB 4.19Å; F348-K409 HydrophobicContact CZ-CB 3.87Å; F348-K409 HydrophobicContact CZ-CD 3.86Å; F348-K409 HydrophobicContact CZ-CG 3.97Å; F348-L410 HydrophobicContact CB-CD2 3.96Å; F348-L410 HydrophobicContact CB-CG 4.25Å; F348-L410 HydrophobicContact CD2-CD2 4.4Å; F348-L413 HydrophobicContact CD2-CD1 3.42Å; F348-L413 VanDerWaalsContact CD2-CD1 3.42Å; F348-L413 HydrophobicContact CD2-CG 4.08Å; F348-L413 HydrophobicContact CE2-CD1 3.52Å; F348-L413 HydrophobicContact CE2-CD2 4.32Å; F348-L413 HydrophobicContact CE2-CG 3.77Å |
| 349 | K | 97.5 | Very high | 97.3 | Very high | 107 Ų | 107 | 38.4 Ų | 38.4 | 47% | 0.465 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.1 | -38.8 | -176.5 | -76.6 | -72.7 | 162.8 | -157.8 | 0 | 112.7 | K345 E346 L347 E352 D353 | K345-K349 WeakPolarHBondContact O-CB 3.47Å; K345-K349 VanDerWaalsContact O-CG 3.24Å; K345-K349 WeakPolarHBondContact O-CG 3.36Å; K345-K349 PolarHBondContact O-N 3.38Å; E346-K349 PolarHBondContact O-N 3.01Å; E346-K349 VanDerWaalsContact O-N 3.14Å; L347-K349 PolarHBondContact O-N 3.01Å; K349-E352 IonicContact NZ-OE2 2.84Å; K349-E352 PolarHBondContact NZ-OE2 2.83Å; K349-D353 WeakPolarHBondContact O-CB 3.31Å; K349-D353 PolarHBondContact O-N 3.23Å; K349-D353 VanDerWaalsContact O-N 3.16Å |
| 350 | V | 97.1 | Very high | 97.2 | Very high | 23 Ų | 23 | 38 Ų | 38 | 14% | 0.139 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.7 | -43.6 | 175.4 | 175.3 | 0 | 0 | 0 | 0 | 111 | L226 L227 E346 L347 F348 D353 E354 L357 | L226-V350 HydrophobicContact CB-CG1 4.24Å; L226-V350 HydrophobicContact CD1-CB 4.26Å; L226-V350 HydrophobicContact CD1-CG1 3.78Å; L227-V350 HydrophobicContact CD1-CG2 4.2Å; L227-V350 HydrophobicContact CD2-CG2 4.02Å; L227-V350 HydrophobicContact CG-CG2 4.1Å; E346-V350 WeakPolarHBondContact O-CG2 3.24Å; E346-V350 PolarHBondContact O-N 3.4Å; L347-V350 PolarHBondContact O-N 3.43Å; F348-V350 PolarHBondContact O-N 3.16Å; V350-D353 PolarHBondContact O-N 3.49Å; V350-E354 PolarHBondContact O-N 2.84Å; V350-L357 HydrophobicContact CG1-CD1 3.91Å |
| 351 | L | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72 | -28.6 | 179.4 | -66.1 | 173.2 | 0 | 0 | 0 | 113.4 | L226 L347 F348 E354 P355 L357 L358 V365 L410 L413 | L226-L351 HydrophobicContact CD1-CD2 4.03Å; L226-L351 HydrophobicContact CD1-CG 4.27Å; L347-L351 HydrophobicContact CD1-CD1 3.71Å; L347-L351 HydrophobicContact CD1-CG 4.16Å; L347-L351 HydrophobicContact CG-CD1 3.82Å; L347-L351 WeakPolarHBondContact O-CB 3.41Å; L347-L351 WeakPolarHBondContact O-CG 3.21Å; L347-L351 PolarHBondContact O-N 3.45Å; F348-L351 PolarHBondContact O-N 3.38Å; L351-E354 CarbonylContact O-C 3.36Å; L351-P355 VanDerWaalsContact O-CA 3.28Å; L351-P355 WeakPolarHBondContact O-CA 3.41Å; L351-L357 HydrophobicContact CD2-CB 3.69Å; L351-L358 HydrophobicContact CB-CD2 4.19Å; L351-L358 HydrophobicContact CD1-CD2 3.83Å; L351-L358 HydrophobicContact CD2-CD2 4.01Å; L351-L358 HydrophobicContact CD2-CG 4.34Å; L351-L358 HydrophobicContact CG-CD2 4.23Å; L351-V365 HydrophobicContact CD1-CG2 3.59Å; L351-L410 HydrophobicContact CD1-CD2 4.03Å; L351-L413 HydrophobicContact CB-CD1 3.94Å |
| 352 | E | 96.9 | Very high | 97 | Very high | 80 Ų | 80 | 38 Ų | 38 | 37% | 0.374 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.9 | -39.8 | 173.1 | -179.8 | 175.1 | -131.5 | 0 | 0 | 111 | F348 K349 L413 | F348-E352 WeakPolarHBondContact CE1-OE2 3.42Å; F348-E352 HydrophobicContact CE2-CB 4.13Å; F348-E352 HydrophobicContact CZ-CB 4.1Å; F348-E352 HydrophobicContact CZ-CG 4.17Å; F348-E352 WeakPolarHBondContact CZ-OE1 3.2Å; F348-E352 WeakPolarHBondContact CZ-OE2 3.37Å; F348-E352 VanDerWaalsContact O-CB 3.22Å; F348-E352 WeakPolarHBondContact O-CB 3.23Å; F348-E352 PolarHBondContact O-N 2.97Å; K349-E352 IonicContact NZ-OE2 2.84Å; K349-E352 PolarHBondContact NZ-OE2 2.83Å; E352-L413 HydrophobicContact CB-CD1 4.31Å |
| 353 | D | 97.3 | Very high | 97 | Very high | 129 Ų | 129 | 34.3 Ų | 34.3 | 69% | 0.69 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -71.1 | -43.2 | 177 | -162.7 | 51.3 | 0 | 0 | 0 | 111.5 | K349 V350 P355 | K349-D353 WeakPolarHBondContact O-CB 3.31Å; K349-D353 PolarHBondContact O-N 3.23Å; K349-D353 VanDerWaalsContact O-N 3.16Å; V350-D353 PolarHBondContact O-N 3.49Å; D353-P355 WeakPolarHBondContact O-CD 3.4Å |
| 354 | E | 96.4 | Very high | 97 | Very high | 109 Ų | 109 | 36 Ų | 36 | 51% | 0.509 | 19% | 0.187 | S | C | . | . | trans | -124.4 | 78.4 | -179.9 | -68.9 | -65 | 169.1 | 0 | 0 | 112.5 | V350 L351 G356 L357 | V350-E354 PolarHBondContact O-N 2.84Å; L351-E354 CarbonylContact O-C 3.36Å; E354-G356 PolarHBondContact O-N 3Å; E354-L357 HydrophobicContact CB-CD1 3.87Å; E354-L357 HydrophobicContact CB-CG 4.07Å; E354-L357 WeakPolarHBondContact O-CB 3.28Å; E354-L357 PolarHBondContact O-N 2.84Å | ||
| 355 | P | 96.9 | Very high | 96.9 | Very high | 23 Ų | 23 | 36 Ų | 36 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -60.3 | -20.8 | -178.1 | -25.9 | 34.8 | 0 | 0 | 0 | 114.8 | L351 D353 L357 L358 Y417 | L351-P355 VanDerWaalsContact O-CA 3.28Å; L351-P355 WeakPolarHBondContact O-CA 3.41Å; D353-P355 WeakPolarHBondContact O-CD 3.4Å; P355-L357 PolarHBondContact O-N 3.47Å; P355-L358 HydrophobicContact CB-CD1 4.41Å; P355-L358 VanDerWaalsContact O-CB 3.29Å; P355-L358 WeakPolarHBondContact O-CB 3.33Å; P355-L358 WeakPolarHBondContact O-CG 3.4Å; P355-L358 PolarHBondContact O-N 3.38Å; P355-L358 VanDerWaalsContact O-N 3.1Å; P355-Y417 HydrophobicContact CB-CD1 3.79Å; P355-Y417 HydrophobicContact CB-CD2 3.92Å; P355-Y417 HydrophobicContact CB-CE1 3.84Å; P355-Y417 HydrophobicContact CB-CE2 3.99Å; P355-Y417 HydrophobicContact CB-CG 3.83Å; P355-Y417 HydrophobicContact CG-CD1 4.38Å; P355-Y417 HydrophobicContact CG-CD2 4.35Å; P355-Y417 HydrophobicContact CG-CE1 3.91Å; P355-Y417 HydrophobicContact CG-CE2 3.9Å |
| 356 | G | 96.8 | Very high | 96.9 | Very high | 49 Ų | 49 | 32.2 Ų | 32.2 | 51% | 0.505 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -58.9 | -26.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E354 L358 G359 P360 | E354-G356 PolarHBondContact O-N 3Å; G356-L358 PolarHBondContact O-N 2.86Å; G356-G359 PolarHBondContact O-N 2.81Å; G356-P360 WeakPolarHBondContact O-CD 3.39Å |
| 357 | L | 96.9 | Very high | 97 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -69.4 | -15.8 | 177.7 | -64.5 | 178.1 | 0 | 0 | 0 | 113.2 | M233 L234 V350 L351 E354 P355 G359 P360 K361 | M233-L357 HydrophobicContact CE-CD1 4.37Å; M233-L357 HydrophobicContact CG-CD1 3.83Å; M233-L357 HydrophobicContact CG-CD2 3.84Å; M233-L357 WeakPolarHBondContact O-CD2 3.28Å; M233-L357 HydrophobicContact SD-CD1 3.82Å; L234-L357 HydrophobicContact CD2-CD2 4.22Å; V350-L357 HydrophobicContact CG1-CD1 3.91Å; L351-L357 HydrophobicContact CD2-CB 3.69Å; E354-L357 HydrophobicContact CB-CD1 3.87Å; E354-L357 HydrophobicContact CB-CG 4.07Å; E354-L357 WeakPolarHBondContact O-CB 3.28Å; E354-L357 PolarHBondContact O-N 2.84Å; P355-L357 PolarHBondContact O-N 3.47Å; L357-G359 PolarHBondContact O-N 3.09Å; L357-P360 WeakPolarHBondContact O-CD 3.19Å; L357-K361 WeakPolarHBondContact O-CA 3.3Å; L357-K361 VanDerWaalsContact O-CB 3.25Å; L357-K361 WeakPolarHBondContact O-CB 3.4Å; L357-K361 PolarHBondContact O-N 3.43Å |
| 358 | L | 97.1 | Very high | 97 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -61.3 | -25.8 | 176.2 | -67.6 | 169 | 0 | 0 | 0 | 112.7 | L351 P355 G356 A362 V365 L413 M414 Y417 V421 | L351-L358 HydrophobicContact CB-CD2 4.19Å; L351-L358 HydrophobicContact CD1-CD2 3.83Å; L351-L358 HydrophobicContact CD2-CD2 4.01Å; L351-L358 HydrophobicContact CD2-CG 4.34Å; L351-L358 HydrophobicContact CG-CD2 4.23Å; P355-L358 HydrophobicContact CB-CD1 4.41Å; P355-L358 VanDerWaalsContact O-CB 3.29Å; P355-L358 WeakPolarHBondContact O-CB 3.33Å; P355-L358 WeakPolarHBondContact O-CG 3.4Å; P355-L358 PolarHBondContact O-N 3.38Å; P355-L358 VanDerWaalsContact O-N 3.1Å; G356-L358 PolarHBondContact O-N 2.86Å; L358-A362 WeakPolarHBondContact O-CA 3.2Å; L358-A362 WeakPolarHBondContact O-CB 3.3Å; L358-A362 PolarHBondContact O-N 2.86Å; L358-V365 HydrophobicContact CD2-CG2 4.2Å; L358-L413 HydrophobicContact CD1-CB 4.42Å; L358-M414 HydrophobicContact CD2-SD 3.79Å; L358-Y417 HydrophobicContact CD1-CD2 4.06Å; L358-Y417 HydrophobicContact CD1-CG 4.17Å; L358-V421 HydrophobicContact CB-CG2 3.81Å |
| 359 | G | 95.7 | Very high | 97 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -72.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G356 L357 K361 A362 Y424 H425 | G356-G359 PolarHBondContact O-N 2.81Å; L357-G359 PolarHBondContact O-N 3.09Å; G359-K361 PolarHBondContact O-N 3.32Å; G359-A362 PolarHBondContact O-N 3.26Å; G359-Y424 VanDerWaalsContact C-CD1 3.43Å; G359-H425 PolarHBondContact O-NE2 3.34Å |
| 360 | P | 95.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 24.5 Ų | 24.5 | 8% | 0.078 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.9 | -176.8 | 24.2 | -33.6 | 0 | 0 | 0 | 114.1 | P236 A237 G356 L357 Y424 | P236-P360 WeakPolarHBondContact CA-O 3.43Å; A237-P360 PolarHBondContact N-O 3.3Å; G356-P360 WeakPolarHBondContact O-CD 3.39Å; L357-P360 WeakPolarHBondContact O-CD 3.19Å; P360-Y424 HydrophobicContact CB-CE1 4.48Å; P360-Y424 HydrophobicContact CB-CE2 4.29Å; P360-Y424 HydrophobicContact CG-CE2 4.49Å |
| 361 | K | 96.5 | Very high | 97.1 | Very high | 13 Ų | 13 | 23.9 Ų | 23.9 | 6% | 0.057 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 15.7 | -175.6 | -51.5 | -60.4 | -177.3 | -175.2 | 0 | 114.2 | L226 S232 M233 D235 A237 L357 G359 L363 F364 V365 | L226-K361 HydrophobicContact CD2-CB 4.24Å; L226-K361 HydrophobicContact CD2-CD 3.78Å; L226-K361 HydrophobicContact CD2-CG 3.74Å; S232-K361 PolarHBondContact O-NZ 3.4Å; M233-K361 WeakPolarHBondContact O-CE 3.47Å; D235-K361 VanDerWaalsContact O-CE 3.28Å; D235-K361 WeakPolarHBondContact O-CE 3.21Å; D235-K361 PolarHBondContact O-NZ 3.45Å; A237-K361 HydrophobicContact CB-CD 4.17Å; L357-K361 WeakPolarHBondContact O-CA 3.3Å; L357-K361 VanDerWaalsContact O-CB 3.25Å; L357-K361 WeakPolarHBondContact O-CB 3.4Å; L357-K361 PolarHBondContact O-N 3.43Å; G359-K361 PolarHBondContact O-N 3.32Å; K361-L363 PolarHBondContact O-N 3.48Å; K361-L363 VanDerWaalsContact O-N 3.13Å; K361-F364 PolarHBondContact O-N 3.28Å; K361-V365 PolarHBondContact O-N 3.44Å |
| 362 | A | 96.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -50.5 | -38.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L358 G359 F364 V365 M366 F516 M520 | L358-A362 WeakPolarHBondContact O-CA 3.2Å; L358-A362 WeakPolarHBondContact O-CB 3.3Å; L358-A362 PolarHBondContact O-N 2.86Å; G359-A362 PolarHBondContact O-N 3.26Å; A362-F364 VanDerWaalsContact C-N 3.33Å; A362-F364 PolarHBondContact O-N 3.27Å; A362-V365 WeakPolarHBondContact O-CB 3.14Å; A362-V365 PolarHBondContact O-N 2.86Å; A362-M366 PolarHBondContact O-N 2.94Å; A362-M366 VanDerWaalsContact O-N 3.14Å; A362-F516 HydrophobicContact CB-CE1 4.47Å; A362-F516 HydrophobicContact CB-CZ 4.19Å; A362-M520 HydrophobicContact CB-CG 4.26Å; A362-M520 HydrophobicContact CB-SD 3.84Å |
| 363 | L | 96.4 | Very high | 97.2 | Very high | 7 Ų | 7 | 21 Ų | 21 | 4% | 0.037 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.9 | -41.9 | 178.2 | -176.5 | 64.5 | 0 | 0 | 0 | 112.5 | A237 M242 E245 Y246 K361 V365 M366 M367 F516 | A237-L363 HydrophobicContact CB-CB 4.22Å; A237-L363 HydrophobicContact CB-CD2 4.46Å; A237-L363 WeakPolarHBondContact O-CD2 3.45Å; M242-L363 HydrophobicContact CE-CD1 4.45Å; M242-L363 HydrophobicContact CE-CD2 4.05Å; M242-L363 HydrophobicContact SD-CD2 3.72Å; E245-L363 HydrophobicContact CB-CD1 4.23Å; E245-L363 HydrophobicContact CG-CD2 4.46Å; Y246-L363 HydrophobicContact CD1-CD1 3.8Å; Y246-L363 HydrophobicContact CE1-CD1 4.22Å; K361-L363 PolarHBondContact O-N 3.48Å; K361-L363 VanDerWaalsContact O-N 3.13Å; L363-V365 VanDerWaalsContact C-N 3.27Å; L363-V365 PolarHBondContact O-N 3.3Å; L363-M366 PolarHBondContact O-N 3.08Å; L363-M367 HydrophobicContact CD1-CG 4.43Å; L363-M367 HydrophobicContact CD2-SD 4.3Å; L363-M367 HydrophobicContact CG-CG 4.31Å; L363-M367 HydrophobicContact CG-SD 3.88Å; L363-M367 WeakPolarHBondContact O-CB 3.36Å; L363-M367 VanDerWaalsContact O-CG 3.25Å; L363-M367 WeakPolarHBondContact O-CG 3.5Å; L363-M367 PolarHBondContact O-N 2.95Å; L363-F516 HydrophobicContact CB-CE1 4.39Å; L363-F516 HydrophobicContact CB-CZ 4.18Å; L363-F516 HydrophobicContact CD1-CE2 4.26Å; L363-F516 HydrophobicContact CD1-CZ 4.23Å |
| 364 | F | 96.9 | Very high | 97.2 | Very high | 47 Ų | 47 | 15.1 Ų | 15.1 | 21% | 0.206 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.8 | -35 | 179.9 | -80.2 | 20.5 | 0 | 0 | 0 | 111.3 | L224 L226 A237 L347 K361 A362 M367 A368 | L224-F364 HydrophobicContact CD2-CB 4.26Å; L224-F364 HydrophobicContact CD2-CG 4.38Å; L226-F364 HydrophobicContact CD2-CD2 3.58Å; L226-F364 HydrophobicContact CD2-CE2 3.82Å; L226-F364 HydrophobicContact CG-CD2 4.48Å; A237-F364 HydrophobicContact CB-CD1 3.82Å; A237-F364 HydrophobicContact CB-CE1 3.7Å; A237-F364 HydrophobicContact CB-CZ 4.47Å; L347-F364 HydrophobicContact CD1-CB 4.4Å; L347-F364 HydrophobicContact CD2-CB 4.49Å; K361-F364 PolarHBondContact O-N 3.28Å; A362-F364 VanDerWaalsContact C-N 3.33Å; A362-F364 PolarHBondContact O-N 3.27Å; F364-M367 HydrophobicContact CD1-SD 4.14Å; F364-A368 WeakPolarHBondContact O-CB 3.36Å; F364-A368 PolarHBondContact O-N 3.47Å |
| 365 | V | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.8 | -47.7 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | L351 L358 K361 A362 L363 M367 A368 L369 L410 M414 | L351-V365 HydrophobicContact CD1-CG2 3.59Å; L358-V365 HydrophobicContact CD2-CG2 4.2Å; K361-V365 PolarHBondContact O-N 3.44Å; A362-V365 WeakPolarHBondContact O-CB 3.14Å; A362-V365 PolarHBondContact O-N 2.86Å; L363-V365 VanDerWaalsContact C-N 3.27Å; L363-V365 PolarHBondContact O-N 3.3Å; V365-M367 PolarHBondContact O-N 3.49Å; V365-A368 PolarHBondContact O-N 2.99Å; V365-L369 HydrophobicContact CG1-CD1 3.94Å; V365-L369 HydrophobicContact CG1-CG 4.38Å; V365-L369 WeakPolarHBondContact O-CB 3.38Å; V365-L369 VanDerWaalsContact O-CG 3.27Å; V365-L369 WeakPolarHBondContact O-CG 3.46Å; V365-L369 PolarHBondContact O-N 3.33Å; V365-L410 HydrophobicContact CG1-CB 4.28Å; V365-M414 HydrophobicContact CB-SD 4.4Å; V365-M414 HydrophobicContact CG1-CG 3.76Å; V365-M414 HydrophobicContact CG1-SD 4.21Å; V365-M414 HydrophobicContact CG2-SD 4.33Å |
| 366 | M | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 179 | -62.9 | -60.3 | 159.4 | 0 | 0 | 112.4 | Y246 A362 L363 S370 M414 F516 M520 M527 L528 T531 | Y246-M366 HydrophobicContact CD1-CB 4.3Å; Y246-M366 HydrophobicContact CG-CB 4.18Å; A362-M366 PolarHBondContact O-N 2.94Å; A362-M366 VanDerWaalsContact O-N 3.14Å; L363-M366 PolarHBondContact O-N 3.08Å; M366-S370 VanDerWaalsContact O-CB 3.3Å; M366-S370 WeakPolarHBondContact O-CB 3.46Å; M366-S370 PolarHBondContact O-N 2.96Å; M366-M414 HydrophobicContact CE-CE 3.87Å; M366-F516 HydrophobicContact CG-CE2 4.19Å; M366-M520 HydrophobicContact CE-CE 3.92Å; M366-M520 HydrophobicContact CE-SD 4.09Å; M366-M527 HydrophobicContact CE-CB 3.95Å; M366-M527 HydrophobicContact CG-CE 4.04Å; M366-M527 HydrophobicContact SD-CB 3.93Å; M366-M527 HydrophobicContact SD-CE 4.03Å; M366-L528 HydrophobicContact CE-CD2 4.09Å; M366-L528 HydrophobicContact CE-CG 4.49Å; M366-T531 HydrophobicContact CB-CG2 4.26Å; M366-T531 HydrophobicContact SD-CG2 4.13Å |
| 367 | M | 97.9 | Very high | 97.2 | Very high | 13 Ų | 13 | 8 Ų | 8 | 6% | 0.064 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -62.8 | -49.8 | 173.3 | -69.5 | 169.3 | 71.7 | 0 | 0 | 111.6 | L223 L224 E245 L363 F364 V365 L369 S370 F371 | L223-M367 HydrophobicContact CD1-CE 4.24Å; L224-M367 HydrophobicContact CD2-CB 3.83Å; L224-M367 HydrophobicContact CD2-CE 4.45Å; E245-M367 HydrophobicContact CB-CE 4.32Å; E245-M367 HydrophobicContact CB-CG 3.89Å; E245-M367 HydrophobicContact CB-SD 3.95Å; L363-M367 HydrophobicContact CD1-CG 4.43Å; L363-M367 HydrophobicContact CD2-SD 4.3Å; L363-M367 HydrophobicContact CG-CG 4.31Å; L363-M367 HydrophobicContact CG-SD 3.88Å; L363-M367 WeakPolarHBondContact O-CB 3.36Å; L363-M367 VanDerWaalsContact O-CG 3.25Å; L363-M367 WeakPolarHBondContact O-CG 3.5Å; L363-M367 PolarHBondContact O-N 2.95Å; F364-M367 HydrophobicContact CD1-SD 4.14Å; V365-M367 PolarHBondContact O-N 3.49Å; M367-L369 VanDerWaalsContact C-N 3.32Å; M367-L369 PolarHBondContact O-N 3.36Å; M367-S370 PolarHBondContact O-N 3.4Å; M367-F371 HydrophobicContact CB-CE1 4.15Å; M367-F371 HydrophobicContact CB-CE2 4.24Å; M367-F371 HydrophobicContact CB-CZ 3.85Å; M367-F371 HydrophobicContact CE-CE2 4.19Å; M367-F371 HydrophobicContact CE-CZ 3.78Å; M367-F371 HydrophobicContact CG-CZ 4.25Å; M367-F371 WeakPolarHBondContact O-CD1 3.35Å; M367-F371 WeakPolarHBondContact O-CG 3.44Å; M367-F371 PolarHBondContact O-N 3.38Å |
| 368 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L224 L344 L347 F364 V365 S372 L410 | L224-A368 HydrophobicContact CD1-CB 3.83Å; L224-A368 HydrophobicContact CD2-CB 4.27Å; L344-A368 HydrophobicContact CD1-CB 3.83Å; L344-A368 HydrophobicContact CG-CB 4.13Å; L347-A368 HydrophobicContact CD2-CB 3.69Å; F364-A368 WeakPolarHBondContact O-CB 3.36Å; F364-A368 PolarHBondContact O-N 3.47Å; V365-A368 PolarHBondContact O-N 2.99Å; A368-S372 VanDerWaalsContact O-CB 3.31Å; A368-S372 WeakPolarHBondContact O-CB 3.39Å; A368-S372 PolarHBondContact O-N 3.45Å; A368-S372 VanDerWaalsContact O-N 3.11Å; A368-S372 PolarHBondContact O-OG 2.96Å; A368-L410 HydrophobicContact CB-CD1 4.33Å |
| 369 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -64.4 | -49.9 | 175.9 | -73.3 | 177.5 | 0 | 0 | 0 | 111 | V365 M367 F371 S372 R373 M407 L410 R411 L528 T531 | V365-L369 HydrophobicContact CG1-CD1 3.94Å; V365-L369 HydrophobicContact CG1-CG 4.38Å; V365-L369 WeakPolarHBondContact O-CB 3.38Å; V365-L369 VanDerWaalsContact O-CG 3.27Å; V365-L369 WeakPolarHBondContact O-CG 3.46Å; V365-L369 PolarHBondContact O-N 3.33Å; M367-L369 VanDerWaalsContact C-N 3.32Å; M367-L369 PolarHBondContact O-N 3.36Å; L369-F371 PolarHBondContact O-N 3.29Å; L369-S372 PolarHBondContact O-N 3.36Å; L369-R373 VanDerWaalsContact O-CB 3.27Å; L369-R373 WeakPolarHBondContact O-CB 3.46Å; L369-R373 PolarHBondContact O-N 3.2Å; L369-M407 HydrophobicContact CD2-CB 4.1Å; L369-M407 HydrophobicContact CD2-CG 4.35Å; L369-L410 HydrophobicContact CD2-CB 4.19Å; L369-R411 HydrophobicContact CD1-CG 4.18Å; L369-R411 HydrophobicContact CD2-CG 4.11Å; L369-L528 HydrophobicContact CD1-CD2 3.57Å; L369-T531 CarbonylContact C-O 3.34Å; L369-T531 VanDerWaalsContact O-O 3.06Å |
| 370 | S | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -57.8 | -46.8 | 178.3 | 169.4 | 0 | 0 | 0 | 0 | 112.2 | Y246 M366 M367 R373 D374 T531 | Y246-S370 WeakPolarHBondContact O-CB 3.39Å; Y246-S370 PolarHBondContact O-OG 3.02Å; M366-S370 VanDerWaalsContact O-CB 3.3Å; M366-S370 WeakPolarHBondContact O-CB 3.46Å; M366-S370 PolarHBondContact O-N 2.96Å; M367-S370 PolarHBondContact O-N 3.4Å; S370-R373 PolarHBondContact O-N 2.91Å; S370-D374 WeakPolarHBondContact O-CB 3.42Å; S370-D374 PolarHBondContact O-N 3.24Å; S370-T531 VanDerWaalsContact CA-O 3.23Å; S370-T531 WeakPolarHBondContact CA-O 3.3Å; S370-T531 PolarHBondContact N-O 3.46Å |
| 371 | F | 98.3 | Very high | 96.7 | Very high | 10 Ų | 10 | 7.8 Ų | 7.8 | 4% | 0.044 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -68.2 | -41 | -176.1 | -59.6 | -1.9 | 0 | 0 | 0 | 110.6 | R211 L223 L224 E245 L340 M367 L369 D374 E375 | R211-F371 VanDerWaalsContact NE-CE1 3.29Å; L223-F371 HydrophobicContact CD2-CD2 4.44Å; L223-F371 HydrophobicContact CD2-CE2 3.92Å; L223-F371 HydrophobicContact CG-CE2 4.41Å; L224-F371 HydrophobicContact CD1-CD2 4.34Å; E245-F371 VanDerWaalsContact O-CE1 3.31Å; E245-F371 WeakPolarHBondContact O-CE1 3.4Å; L340-F371 HydrophobicContact CD1-CB 4.21Å; L340-F371 HydrophobicContact CD2-CB 3.89Å; L340-F371 HydrophobicContact CD2-CD2 4.44Å; M367-F371 HydrophobicContact CB-CE1 4.15Å; M367-F371 HydrophobicContact CB-CE2 4.24Å; M367-F371 HydrophobicContact CB-CZ 3.85Å; M367-F371 HydrophobicContact CE-CE2 4.19Å; M367-F371 HydrophobicContact CE-CZ 3.78Å; M367-F371 HydrophobicContact CG-CZ 4.25Å; M367-F371 WeakPolarHBondContact O-CD1 3.35Å; M367-F371 WeakPolarHBondContact O-CG 3.44Å; M367-F371 PolarHBondContact O-N 3.38Å; L369-F371 PolarHBondContact O-N 3.29Å; F371-D374 PolarHBondContact O-N 3.07Å; F371-E375 WeakPolarHBondContact O-CG 3.32Å; F371-E375 PolarHBondContact O-N 3.46Å; F371-E375 VanDerWaalsContact O-N 3.11Å |
| 372 | S | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -65.9 | -43.6 | 177.9 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | L344 A368 L369 D374 E375 V376 M407 | L344-S372 WeakPolarHBondContact CD1-OG 3.47Å; L344-S372 VanDerWaalsContact CD2-OG 3.22Å; L344-S372 WeakPolarHBondContact CD2-OG 3.47Å; A368-S372 VanDerWaalsContact O-CB 3.31Å; A368-S372 WeakPolarHBondContact O-CB 3.39Å; A368-S372 PolarHBondContact O-N 3.45Å; A368-S372 VanDerWaalsContact O-N 3.11Å; A368-S372 PolarHBondContact O-OG 2.96Å; L369-S372 PolarHBondContact O-N 3.36Å; S372-D374 PolarHBondContact O-N 2.82Å; S372-E375 PolarHBondContact O-N 3.26Å; S372-V376 VanDerWaalsContact O-CG2 3.31Å; S372-V376 WeakPolarHBondContact O-CG2 3.46Å; S372-V376 PolarHBondContact O-N 3.08Å; S372-M407 WeakPolarHBondContact CB-SD 3.47Å |
| 373 | R | 97.8 | Very high | 96.1 | Very high | 19 Ų | 19 | 8.8 Ų | 8.8 | 7% | 0.072 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -57.3 | -49.5 | 174.3 | -176.3 | -80.3 | -62.8 | -79 | -7.1 | 111.4 | L369 S370 E375 V376 M377 M407 E530 T531 E533 L534 | L369-R373 VanDerWaalsContact O-CB 3.27Å; L369-R373 WeakPolarHBondContact O-CB 3.46Å; L369-R373 PolarHBondContact O-N 3.2Å; S370-R373 PolarHBondContact O-N 2.91Å; R373-E375 VanDerWaalsContact C-N 3.31Å; R373-E375 PolarHBondContact O-N 2.98Å; R373-V376 PolarHBondContact O-N 3.16Å; R373-M377 WeakPolarHBondContact CD-SD 3.33Å; R373-M377 HydrophobicContact CG-CE 4.06Å; R373-M377 HydrophobicContact CG-CG 4.49Å; R373-M377 WeakPolarHBondContact O-CG 3.26Å; R373-M377 PolarHBondContact O-N 3.26Å; R373-M407 HydrophobicContact CB-CE 4.04Å; R373-E530 PolarHBondContact NH1-O 2.84Å; R373-E530 PolarHBondContact NH2-O 2.83Å; R373-T531 VanDerWaalsContact CB-O 3.31Å; R373-T531 WeakPolarHBondContact CB-O 3.26Å; R373-E533 WeakPolarHBondContact CG-O 3.32Å; R373-L534 HydrophobicContact CG-CD2 4.17Å |
| 374 | D | 97.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 13 Ų | 13 | 4% | 0.037 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.7 | -41.5 | -177.6 | -68.8 | -17.5 | 0 | 0 | 0 | 111.4 | S248 M249 S370 F371 S372 M377 W378 | S248-D374 WeakPolarHBondContact CA-OD2 3.35Å; S248-D374 PolarHBondContact OG-OD1 3.49Å; M249-D374 WeakPolarHBondContact CB-OD2 3.34Å; M249-D374 PolarHBondContact N-OD2 3.3Å; S370-D374 WeakPolarHBondContact O-CB 3.42Å; S370-D374 PolarHBondContact O-N 3.24Å; F371-D374 PolarHBondContact O-N 3.07Å; S372-D374 PolarHBondContact O-N 2.82Å; D374-M377 PolarHBondContact O-N 3.35Å; D374-W378 VanDerWaalsContact O-CB 3.29Å; D374-W378 WeakPolarHBondContact O-CB 3.45Å; D374-W378 PolarHBondContact O-N 3.05Å |
| 375 | E | 97.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 13.4 Ų | 13.4 | 2% | 0.019 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68.4 | -36.6 | 176.7 | -69.6 | -61.9 | 139.1 | 0 | 0 | 113.1 | H333 R336 R337 L340 F371 S372 R373 W378 L379 | H333-E375 WeakPolarHBondContact CB-OE2 3.42Å; H333-E375 IonicContact CE1-OE1 2.83Å; H333-E375 IonicContact CE1-OE2 3Å; H333-E375 IonicContact CG-OE2 2.75Å; H333-E375 IonicContact ND1-OE1 3.49Å; H333-E375 PolarHBondContact ND1-OE1 3.07Å; H333-E375 IonicContact ND1-OE2 3.81Å; H333-E375 PolarHBondContact ND1-OE2 3.41Å; R336-E375 HydrophobicContact CB-CG 4.18Å; R336-E375 WeakPolarHBondContact CD-OE1 3.18Å; R336-E375 IonicContact CZ-OE1 3.35Å; R336-E375 IonicContact NE-OE1 3.07Å; R336-E375 IonicContact NH1-OE1 3.23Å; R336-E375 PolarHBondContact NH1-OE1 3.44Å; R336-E375 VanDerWaalsContact NH1-OE1 3.13Å; R337-E375 HydrophobicContact CG-CB 3.82Å; R337-E375 HydrophobicContact CG-CG 4.44Å; L340-E375 HydrophobicContact CD1-CB 4.35Å; L340-E375 HydrophobicContact CD1-CG 3.78Å; F371-E375 WeakPolarHBondContact O-CG 3.32Å; F371-E375 PolarHBondContact O-N 3.46Å; F371-E375 VanDerWaalsContact O-N 3.11Å; S372-E375 PolarHBondContact O-N 3.26Å; R373-E375 VanDerWaalsContact C-N 3.31Å; R373-E375 PolarHBondContact O-N 2.98Å; E375-W378 PolarHBondContact O-N 3.13Å; E375-L379 WeakPolarHBondContact O-CB 3.38Å; E375-L379 PolarHBondContact O-N 3.35Å |
| 376 | V | 96.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.006 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.9 | -50.1 | 173 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | S372 R373 W378 L379 V380 M400 L403 L404 M407 L534 | S372-V376 VanDerWaalsContact O-CG2 3.31Å; S372-V376 WeakPolarHBondContact O-CG2 3.46Å; S372-V376 PolarHBondContact O-N 3.08Å; R373-V376 PolarHBondContact O-N 3.16Å; V376-W378 VanDerWaalsContact C-N 3.25Å; V376-W378 PolarHBondContact O-N 3.5Å; V376-L379 PolarHBondContact O-N 2.8Å; V376-V380 HydrophobicContact CG1-CG2 4.33Å; V376-V380 VanDerWaalsContact O-CG2 3.31Å; V376-V380 WeakPolarHBondContact O-CG2 3.37Å; V376-V380 PolarHBondContact O-N 2.97Å; V376-M400 HydrophobicContact CG2-CE 4.4Å; V376-M400 HydrophobicContact CG2-SD 3.84Å; V376-L403 HydrophobicContact CG2-CD2 3.9Å; V376-L404 HydrophobicContact CG2-CD2 4.26Å; V376-M407 HydrophobicContact CG2-SD 4.5Å; V376-L534 HydrophobicContact CB-CD2 3.93Å; V376-L534 HydrophobicContact CG1-CD2 3.66Å |
| 377 | M | 94.6 | Very high | 93.2 | Very high | 27 Ų | 27 | 18.1 Ų | 18.1 | 13% | 0.133 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.5 | -36.2 | 177.8 | -71.3 | -163.8 | 174.4 | 0 | 0 | 112.2 | R373 D374 R381 E533 I536 | R373-M377 WeakPolarHBondContact CD-SD 3.33Å; R373-M377 HydrophobicContact CG-CE 4.06Å; R373-M377 HydrophobicContact CG-CG 4.49Å; R373-M377 WeakPolarHBondContact O-CG 3.26Å; R373-M377 PolarHBondContact O-N 3.26Å; D374-M377 PolarHBondContact O-N 3.35Å; M377-R381 VanDerWaalsContact C-NH1 3.25Å; M377-R381 WeakPolarHBondContact O-CG 3.23Å; M377-R381 PolarHBondContact O-N 3.3Å; M377-R381 PolarHBondContact O-NH1 2.7Å; M377-R381 VanDerWaalsContact O-NH1 3.16Å; M377-E533 WeakPolarHBondContact CE-O 3.31Å; M377-I536 HydrophobicContact CE-CG2 4.47Å; M377-I536 HydrophobicContact CG-CG2 4.16Å |
| 378 | W | 95.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.4 | -47.7 | 174.7 | -172.4 | 104.8 | 0 | 0 | 0 | 111.6 | S283 C329 H333 D374 E375 V376 R381 H382 Y395 | S283-W378 PolarHBondContact O-NE1 3Å; C329-W378 HydrophobicContact CB-CZ2 4.23Å; H333-W378 HydrophobicContact CB-CD2 4.14Å; H333-W378 HydrophobicContact CB-CE3 3.68Å; H333-W378 HydrophobicContact CB-CH2 3.97Å; H333-W378 HydrophobicContact CB-CZ2 4.39Å; H333-W378 HydrophobicContact CB-CZ3 3.6Å; H333-W378 AromaticContact CD2-CD2 3.73Å; H333-W378 AromaticContact CD2-CE2 3.26Å; H333-W378 AromaticContact CD2-CH2 3.71Å; H333-W378 AromaticContact CD2-CZ2 3.28Å; H333-W378 WeakPolarHBondContact CD2-CZ2 3.4Å; H333-W378 AromaticContact CD2-NE1 3.61Å; H333-W378 AromaticContact CE1-CD1 3.53Å; H333-W378 AromaticContact CE1-CD2 3.95Å; H333-W378 AromaticContact CE1-CE2 3.86Å; H333-W378 AromaticContact CE1-CG 3.82Å; H333-W378 AromaticContact CE1-NE1 3.55Å; H333-W378 AromaticContact CG-CD2 3.61Å; H333-W378 AromaticContact CG-CE2 3.68Å; H333-W378 AromaticContact CG-CE3 3.7Å; H333-W378 AromaticContact CG-CH2 3.98Å; H333-W378 AromaticContact CG-CZ2 3.89Å; H333-W378 AromaticContact CG-CZ3 3.89Å; H333-W378 AromaticContact ND1-CD2 3.77Å; H333-W378 AromaticContact ND1-CG 3.85Å; H333-W378 AromaticContact NE2-CD1 3.69Å; H333-W378 AromaticContact NE2-CD2 3.96Å; H333-W378 AromaticContact NE2-CE2 3.42Å; H333-W378 AromaticContact NE2-CZ2 3.83Å; H333-W378 AromaticContact NE2-NE1 3.19Å; H333-W378 PolarHBondContact NE2-NE1 2.83Å; H333-W378 VanDerWaalsContact NE2-NE1 3.19Å; D374-W378 VanDerWaalsContact O-CB 3.29Å; D374-W378 WeakPolarHBondContact O-CB 3.45Å; D374-W378 PolarHBondContact O-N 3.05Å; E375-W378 PolarHBondContact O-N 3.13Å; V376-W378 VanDerWaalsContact C-N 3.25Å; V376-W378 PolarHBondContact O-N 3.5Å; W378-R381 VanDerWaalsContact CD1-NH2 3.25Å; W378-R381 VanDerWaalsContact N-NH1 3.18Å; W378-R381 WeakPolarHBondContact O-CG 3.44Å; W378-H382 AromaticContact CD1-CE1 3.72Å; W378-H382 AromaticContact CD1-ND1 3.96Å; W378-H382 AromaticContact CD2-CE1 3.95Å; W378-H382 AromaticContact CD2-ND1 3.53Å; W378-H382 AromaticContact CE2-CE1 3.48Å; W378-H382 VanDerWaalsContact CE2-CE1 3.48Å; W378-H382 AromaticContact CE2-ND1 3.46Å; W378-H382 AromaticContact CG-ND1 3.82Å; W378-H382 HydrophobicContact CH2-CB 4.46Å; W378-H382 AromaticContact CZ2-ND1 3.93Å; W378-H382 HydrophobicContact CZ3-CB 4.4Å; W378-H382 AromaticContact NE1-CE1 3.35Å; W378-H382 PolarHBondContact NE1-CE1 3.04Å; W378-H382 AromaticContact NE1-ND1 3.75Å; W378-H382 PolarHBondContact O-N 3.25Å; W378-H382 PolarHBondContact O-ND1 3.21Å; W378-Y395 HydrophobicContact CH2-CD1 4.11Å; W378-Y395 AromaticContact CH2-CE1 3.56Å; W378-Y395 HydrophobicContact CH2-CE1 3.56Å; W378-Y395 HydrophobicContact CZ2-CE1 4.45Å; W378-Y395 HydrophobicContact CZ3-CD1 4.16Å; W378-Y395 HydrophobicContact CZ3-CE1 4.09Å |
| 379 | L | 95 | Very high | 90.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.8 | -45.3 | 179.9 | -176.6 | 63 | 0 | 0 | 0 | 111.7 | E375 V376 R381 H382 S383 Y395 D397 M400 M547 | E375-L379 WeakPolarHBondContact O-CB 3.38Å; E375-L379 PolarHBondContact O-N 3.35Å; V376-L379 PolarHBondContact O-N 2.8Å; L379-R381 PolarHBondContact O-N 3.39Å; L379-H382 PolarHBondContact O-N 3.28Å; L379-S383 VanDerWaalsContact O-CB 3.25Å; L379-S383 WeakPolarHBondContact O-CB 3.41Å; L379-S383 PolarHBondContact O-N 3.5Å; L379-S383 PolarHBondContact O-OG 3.23Å; L379-Y395 WeakPolarHBondContact CD1-O 3.1Å; L379-D397 HydrophobicContact CD2-CB 3.79Å; L379-M400 HydrophobicContact CD2-CE 3.46Å; L379-M400 VanDerWaalsContact CD2-CE 3.46Å; L379-M547 HydrophobicContact CD2-CE 3.75Å; L379-M547 HydrophobicContact CG-CE 4.06Å |
| 380 | V | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.2 | -54.6 | -178.5 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | V376 H382 S383 I536 L537 Y540 M547 | V376-V380 HydrophobicContact CG1-CG2 4.33Å; V376-V380 VanDerWaalsContact O-CG2 3.31Å; V376-V380 WeakPolarHBondContact O-CG2 3.37Å; V376-V380 PolarHBondContact O-N 2.97Å; V380-H382 VanDerWaalsContact C-N 3.32Å; V380-H382 PolarHBondContact O-N 3.28Å; V380-S383 PolarHBondContact O-N 3.43Å; V380-S383 PolarHBondContact O-OG 3.4Å; V380-I536 HydrophobicContact CG1-CG1 4.29Å; V380-L537 HydrophobicContact CG2-CD2 3.53Å; V380-L537 HydrophobicContact CG2-CG 4.47Å; V380-Y540 HydrophobicContact CG1-CD1 4.07Å; V380-Y540 HydrophobicContact CG1-CD2 3.37Å; V380-Y540 HydrophobicContact CG1-CE2 3.91Å; V380-Y540 HydrophobicContact CG1-CG 3.45Å; V380-Y540 VanDerWaalsContact CG1-CG 3.45Å; V380-M547 HydrophobicContact CG2-CE 4.09Å |
| 381 | R | 91.1 | Very high | 86.9 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 4% | 0.038 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.9 | -28.7 | -177.1 | 72.4 | -175.9 | 178.1 | -97.3 | 5.6 | 113.7 | F286 V294 M377 W378 L379 N385 | F286-R381 WeakPolarHBondContact O-CD 3.44Å; F286-R381 PolarHBondContact O-NE 3.4Å; V294-R381 HydrophobicContact CG1-CB 4.24Å; M377-R381 VanDerWaalsContact C-NH1 3.25Å; M377-R381 WeakPolarHBondContact O-CG 3.23Å; M377-R381 PolarHBondContact O-N 3.3Å; M377-R381 PolarHBondContact O-NH1 2.7Å; M377-R381 VanDerWaalsContact O-NH1 3.16Å; W378-R381 VanDerWaalsContact CD1-NH2 3.25Å; W378-R381 VanDerWaalsContact N-NH1 3.18Å; W378-R381 WeakPolarHBondContact O-CG 3.44Å; L379-R381 PolarHBondContact O-N 3.39Å; R381-N385 WeakPolarHBondContact O-CB 3.19Å; R381-N385 PolarHBondContact O-ND2 3.3Å |
| 382 | H | 91.8 | Very high | 85.6 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -84.3 | -34.4 | 178.7 | -70.4 | 88.6 | 0 | 0 | 0 | 112.3 | L285 F286 W378 L379 V380 E384 N385 M386 Y395 | L285-H382 PolarHBondContact N-NE2 3.1Å; F286-H382 AromaticContact CD2-CD2 3.87Å; F286-H382 PolarHBondContact N-NE2 3.13Å; W378-H382 AromaticContact CD1-CE1 3.72Å; W378-H382 AromaticContact CD1-ND1 3.96Å; W378-H382 AromaticContact CD2-CE1 3.95Å; W378-H382 AromaticContact CD2-ND1 3.53Å; W378-H382 AromaticContact CE2-CE1 3.48Å; W378-H382 VanDerWaalsContact CE2-CE1 3.48Å; W378-H382 AromaticContact CE2-ND1 3.46Å; W378-H382 AromaticContact CG-ND1 3.82Å; W378-H382 HydrophobicContact CH2-CB 4.46Å; W378-H382 AromaticContact CZ2-ND1 3.93Å; W378-H382 HydrophobicContact CZ3-CB 4.4Å; W378-H382 AromaticContact NE1-CE1 3.35Å; W378-H382 PolarHBondContact NE1-CE1 3.04Å; W378-H382 AromaticContact NE1-ND1 3.75Å; W378-H382 PolarHBondContact O-N 3.25Å; W378-H382 PolarHBondContact O-ND1 3.21Å; L379-H382 PolarHBondContact O-N 3.28Å; V380-H382 VanDerWaalsContact C-N 3.32Å; V380-H382 PolarHBondContact O-N 3.28Å; H382-E384 PolarHBondContact O-N 3.45Å; H382-E384 VanDerWaalsContact O-N 3.12Å; H382-N385 PolarHBondContact O-N 2.91Å; H382-M386 HydrophobicContact CB-CG 4.19Å; H382-M386 WeakPolarHBondContact O-CG 3.47Å; H382-M386 PolarHBondContact O-N 3.29Å; H382-Y395 HydrophobicContact CB-CD1 3.81Å; H382-Y395 HydrophobicContact CB-CE1 3.99Å |
| 383 | S | 88.7 | Confident | 84.7 | Confident | 34 Ų | 34 | 53.7 Ų | 53.7 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.9 | -33 | -176.9 | 68.7 | 0 | 0 | 0 | 0 | 114.6 | L379 V380 V543 | L379-S383 VanDerWaalsContact O-CB 3.25Å; L379-S383 WeakPolarHBondContact O-CB 3.41Å; L379-S383 PolarHBondContact O-N 3.5Å; L379-S383 PolarHBondContact O-OG 3.23Å; V380-S383 PolarHBondContact O-N 3.43Å; V380-S383 PolarHBondContact O-OG 3.4Å; S383-V543 WeakPolarHBondContact OG-CG1 3.27Å; S383-V543 WeakPolarHBondContact OG-CG2 3.42Å |
| 384 | E | 81.1 | Confident | 84 | Confident | 94 Ų | 94 | 54 Ų | 54 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -94.5 | -27.9 | 177 | -64 | -160.1 | 150.5 | 0 | 0 | 114.5 | H382 Y540 V543 | H382-E384 PolarHBondContact O-N 3.45Å; H382-E384 VanDerWaalsContact O-N 3.12Å; E384-Y540 HydrophobicContact CG-CD1 4.2Å; E384-Y540 HydrophobicContact CG-CE1 4.41Å; E384-Y540 WeakPolarHBondContact OE2-CD1 3.49Å; E384-Y540 VanDerWaalsContact OE2-CE1 3.25Å; E384-Y540 WeakPolarHBondContact OE2-CE1 3.25Å; E384-V543 HydrophobicContact CG-CG2 3.31Å; E384-V543 WeakPolarHBondContact OE1-CG2 3.46Å |
| 385 | N | 84.4 | Confident | 83.6 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 30% | 0.299 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -101.9 | -7.9 | -167.5 | -65.4 | -66.5 | 0 | 0 | 0 | 113.8 | F286 R381 H382 | F286-N385 HydrophobicContact CD1-CB 4.33Å; F286-N385 HydrophobicContact CD2-CB 3.85Å; F286-N385 HydrophobicContact CE1-CB 4.04Å; F286-N385 HydrophobicContact CE2-CB 3.56Å; F286-N385 VanDerWaalsContact CE2-O 3.25Å; F286-N385 WeakPolarHBondContact CE2-O 3.42Å; F286-N385 HydrophobicContact CG-CB 4.24Å; F286-N385 HydrophobicContact CZ-CB 3.66Å; F286-N385 WeakPolarHBondContact CZ-O 3.48Å; R381-N385 WeakPolarHBondContact O-CB 3.19Å; R381-N385 PolarHBondContact O-ND2 3.3Å; H382-N385 PolarHBondContact O-N 2.91Å |
| 386 | M | 83.8 | Confident | 83.2 | Confident | 34 Ų | 34 | 55.6 Ų | 55.6 | 17% | 0.167 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -62.3 | 139.1 | 177.6 | -77.5 | -57.8 | -67.8 | 0 | 0 | 111.7 | L285 L326 H382 M389 Y395 | L285-M386 HydrophobicContact CD1-CE 3.9Å; L285-M386 HydrophobicContact CD1-SD 3.59Å; L285-M386 VanDerWaalsContact CD1-SD 3.59Å; L285-M386 HydrophobicContact CG-SD 4.44Å; L326-M386 HydrophobicContact CD2-CE 4.11Å; H382-M386 HydrophobicContact CB-CG 4.19Å; H382-M386 WeakPolarHBondContact O-CG 3.47Å; H382-M386 PolarHBondContact O-N 3.29Å; M386-M389 HydrophobicContact CE-SD 3.69Å; M386-Y395 HydrophobicContact CE-CE1 3.99Å; M386-Y395 HydrophobicContact CE-CE2 3.76Å; M386-Y395 WeakPolarHBondContact CE-OH 3.44Å; M386-Y395 HydrophobicContact CG-CD1 3.66Å; M386-Y395 HydrophobicContact CG-CD2 4.17Å; M386-Y395 HydrophobicContact CG-CE1 3.55Å; M386-Y395 HydrophobicContact CG-CE2 4.09Å; M386-Y395 HydrophobicContact CG-CG 3.98Å; M386-Y395 HydrophobicContact SD-CD1 4.39Å; M386-Y395 HydrophobicContact SD-CE1 3.67Å; M386-Y395 HydrophobicContact SD-CE2 4.44Å |
| 387 | P | 77.4 | Confident | 82.9 | Confident | 65 Ų | 65 | 55.8 Ų | 55.8 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | trans | -58.3 | 155.2 | 170.4 | -15.9 | 28 | 0 | 0 | 0 | 110.9 | M389 | P387-M389 HydrophobicContact CB-CG 4.4Å; P387-M389 WeakPolarHBondContact O-CG 3.32Å; P387-M389 PolarHBondContact O-N 3.47Å | ||
| 388 | K | 69.2 | Low | 82.8 | Confident | 222 Ų | 222 | 57.5 Ų | 57.5 | 97% | 0.965 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -61.4 | 105 | 173.1 | -68.8 | -177.3 | 177.3 | -179 | 0 | 109.6 | ||
| 389 | M | 68.9 | Low | 82.8 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 29% | 0.291 | 30% | 0.304 | S | S | . | . | trans | -123.4 | 169 | -177.2 | -69.2 | -179.2 | 79.9 | 0 | 0 | 111.2 | L326 M386 P387 T391 V392 | L326-M389 HydrophobicContact CB-CE 3.8Å; L326-M389 HydrophobicContact CD2-CE 3.78Å; L326-M389 HydrophobicContact CD2-SD 3.47Å; L326-M389 WeakPolarHBondContact CD2-SD 3.44Å; L326-M389 HydrophobicContact CG-CE 4.32Å; L326-M389 WeakPolarHBondContact O-CE 3.5Å; M386-M389 HydrophobicContact CE-SD 3.69Å; P387-M389 HydrophobicContact CB-CG 4.4Å; P387-M389 WeakPolarHBondContact O-CG 3.32Å; P387-M389 PolarHBondContact O-N 3.47Å; M389-T391 VanDerWaalsContact C-N 3.34Å; M389-V392 VanDerWaalsContact O-CG2 3.32Å; M389-V392 WeakPolarHBondContact O-CG2 3.44Å | ||
| 390 | K | 56.3 | Low | 82.8 | Confident | 216 Ų | 216 | 60 Ų | 60 | 94% | 0.939 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -73.7 | -20.7 | 177.9 | -71.8 | -177.2 | 176.7 | 179.7 | 0 | 113.8 | ||
| 391 | T | 67 | Low | 83 | Confident | 67 Ų | 67 | 60 Ų | 60 | 41% | 0.411 | 30% | 0.303 | S | S | . | . | trans | -107.6 | 53.4 | -173.7 | 47.6 | 0 | 0 | 0 | 0 | 112.4 | M389 D393 | M389-T391 VanDerWaalsContact C-N 3.34Å; T391-D393 PolarHBondContact O-N 3.47Å | ||
| 392 | V | 71.5 | Confident | 83.3 | Confident | 82 Ų | 82 | 60.7 Ų | 60.7 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -66 | -25.2 | -178.4 | -179.4 | 0 | 0 | 0 | 0 | 112.3 | M389 D394 Y395 N396 | M389-V392 VanDerWaalsContact O-CG2 3.32Å; M389-V392 WeakPolarHBondContact O-CG2 3.44Å; V392-D394 VanDerWaalsContact C-N 3.34Å; V392-D394 PolarHBondContact O-N 3.19Å; V392-Y395 PolarHBondContact O-N 3.16Å; V392-N396 PolarHBondContact O-ND2 2.94Å |
| 393 | D | 78.4 | Confident | 83.6 | Confident | 124 Ų | 124 | 60.6 Ų | 60.6 | 66% | 0.663 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -69.6 | -27.1 | -174.7 | -62.1 | -30.9 | 0 | 0 | 0 | 113.8 | T391 Y395 N396 | T391-D393 PolarHBondContact O-N 3.47Å; D393-Y395 PolarHBondContact O-N 3.02Å; D393-N396 PolarHBondContact O-N 2.88Å; D393-N396 VanDerWaalsContact O-N 3.14Å |
| 394 | D | 83.9 | Confident | 84 | Confident | 25 Ų | 25 | 59 Ų | 59 | 13% | 0.134 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -65.2 | -22.2 | 177.8 | -70.7 | -11.1 | 0 | 0 | 0 | 112.8 | R334 R337 V392 | R334-D394 IonicContact CZ-OD1 2.71Å; R334-D394 VanDerWaalsContact CZ-OD1 3.3Å; R334-D394 IonicContact NH1-OD1 2.6Å; R334-D394 PolarHBondContact NH1-OD1 3.43Å; R334-D394 IonicContact NH2-OD1 2.75Å; R337-D394 PolarHBondContact NH2-O 3.49Å; V392-D394 VanDerWaalsContact C-N 3.34Å; V392-D394 PolarHBondContact O-N 3.19Å |
| 395 | Y | 89.2 | Confident | 84.8 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -99.9 | 12.9 | -179.7 | -59 | -84.4 | 0 | 0 | 0 | 112.9 | W378 L379 H382 M386 V392 D393 | W378-Y395 HydrophobicContact CH2-CD1 4.11Å; W378-Y395 AromaticContact CH2-CE1 3.56Å; W378-Y395 HydrophobicContact CH2-CE1 3.56Å; W378-Y395 HydrophobicContact CZ2-CE1 4.45Å; W378-Y395 HydrophobicContact CZ3-CD1 4.16Å; W378-Y395 HydrophobicContact CZ3-CE1 4.09Å; L379-Y395 WeakPolarHBondContact CD1-O 3.1Å; H382-Y395 HydrophobicContact CB-CD1 3.81Å; H382-Y395 HydrophobicContact CB-CE1 3.99Å; M386-Y395 HydrophobicContact CE-CE1 3.99Å; M386-Y395 HydrophobicContact CE-CE2 3.76Å; M386-Y395 WeakPolarHBondContact CE-OH 3.44Å; M386-Y395 HydrophobicContact CG-CD1 3.66Å; M386-Y395 HydrophobicContact CG-CD2 4.17Å; M386-Y395 HydrophobicContact CG-CE1 3.55Å; M386-Y395 HydrophobicContact CG-CE2 4.09Å; M386-Y395 HydrophobicContact CG-CG 3.98Å; M386-Y395 HydrophobicContact SD-CD1 4.39Å; M386-Y395 HydrophobicContact SD-CE1 3.67Å; M386-Y395 HydrophobicContact SD-CE2 4.44Å; V392-Y395 PolarHBondContact O-N 3.16Å; D393-Y395 PolarHBondContact O-N 3.02Å |
| 396 | N | 88.5 | Confident | 85.5 | Confident | 32 Ų | 32 | 53 Ų | 53 | 17% | 0.171 | 27% | 0.265 | C | S | . | . | trans | -119 | 152.8 | 168.2 | -60 | -54.2 | 0 | 0 | 0 | 109.3 | V392 D393 K546 | V392-N396 PolarHBondContact O-ND2 2.94Å; D393-N396 PolarHBondContact O-N 2.88Å; D393-N396 VanDerWaalsContact O-N 3.14Å; N396-K546 PolarHBondContact OD1-NZ 3.4Å | ||
| 397 | D | 91.3 | Very high | 86.2 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | trans | -141.2 | 103.6 | 175.2 | -164.7 | -26.6 | 0 | 0 | 0 | 109.4 | R337 R341 L379 Q399 M400 | R337-D397 WeakPolarHBondContact CD-OD2 3.38Å; R337-D397 IonicContact CZ-OD2 3.24Å; R337-D397 IonicContact NE-OD2 2.76Å; R337-D397 PolarHBondContact NE-OD2 3.24Å; R341-D397 IonicContact CZ-OD1 2.99Å; R341-D397 IonicContact CZ-OD2 2.66Å; R341-D397 IonicContact NH1-OD1 3.86Å; R341-D397 PolarHBondContact NH1-OD1 2.95Å; R341-D397 IonicContact NH1-OD2 3.38Å; R341-D397 PolarHBondContact NH1-OD2 3.33Å; R341-D397 IonicContact NH2-OD1 2.76Å; R341-D397 IonicContact NH2-OD2 3.06Å; L379-D397 HydrophobicContact CD2-CB 3.79Å; D397-Q399 PolarHBondContact O-N 3.41Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.3Å; D397-Q399 PolarHBondContact OD1-N 2.88Å; D397-M400 HydrophobicContact CB-CB 4.48Å; D397-M400 HydrophobicContact CB-CE 3.99Å; D397-M400 PolarHBondContact O-N 3.44Å; D397-M400 PolarHBondContact OD1-N 3.4Å | ||
| 398 | N | 92.3 | Very high | 87.1 | Confident | 64 Ų | 64 | 49.2 Ų | 49.2 | 34% | 0.342 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -7.1 | 177.3 | 63 | -23.3 | 0 | 0 | 0 | 113 | Q550 E554 | N398-Q550 HydrophobicContact CB-CB 4.45Å; N398-E554 HydrophobicContact CB-CG 4.33Å; N398-E554 PolarHBondContact ND2-OE1 2.9Å |
| 399 | Q | 94.6 | Very high | 88.3 | Confident | 58 Ų | 58 | 40.4 Ų | 40.4 | 27% | 0.271 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 17.4 | 178.9 | -60.3 | -179.6 | -22.8 | 0 | 0 | 112.4 | R341 D397 A401 E402 M557 | R341-Q399 WeakPolarHBondContact CD-O 3.38Å; D397-Q399 PolarHBondContact O-N 3.41Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.3Å; D397-Q399 PolarHBondContact OD1-N 2.88Å; Q399-A401 PolarHBondContact O-N 3.4Å; Q399-E402 PolarHBondContact O-N 3.46Å; Q399-M557 HydrophobicContact CB-CE 4.2Å; Q399-M557 HydrophobicContact CB-SD 3.89Å; Q399-M557 HydrophobicContact CG-CE 3.92Å; Q399-M557 HydrophobicContact CG-SD 4.06Å |
| 400 | M | 96.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.5 | -34.7 | -179.3 | -175.1 | 54.3 | 62.9 | 0 | 0 | 112.4 | V376 L379 D397 E402 L403 L404 M547 | V376-M400 HydrophobicContact CG2-CE 4.4Å; V376-M400 HydrophobicContact CG2-SD 3.84Å; L379-M400 HydrophobicContact CD2-CE 3.46Å; L379-M400 VanDerWaalsContact CD2-CE 3.46Å; D397-M400 HydrophobicContact CB-CB 4.48Å; D397-M400 HydrophobicContact CB-CE 3.99Å; D397-M400 PolarHBondContact O-N 3.44Å; D397-M400 PolarHBondContact OD1-N 3.4Å; M400-E402 VanDerWaalsContact C-N 3.28Å; M400-E402 PolarHBondContact O-N 2.95Å; M400-L403 PolarHBondContact O-N 3.34Å; M400-L403 HydrophobicContact SD-CB 4.4Å; M400-L403 HydrophobicContact SD-CD2 4.23Å; M400-L404 HydrophobicContact CG-CD1 3.92Å; M400-L404 HydrophobicContact CG-CG 4.04Å; M400-L404 WeakPolarHBondContact O-CG 3.32Å; M400-L404 PolarHBondContact O-N 3.29Å; M400-L404 HydrophobicContact SD-CD2 4.33Å; M400-L404 HydrophobicContact SD-CG 4.08Å; M400-M547 HydrophobicContact CB-CB 4.48Å; M400-M547 HydrophobicContact CE-CE 4.41Å; M400-M547 HydrophobicContact CG-CG 4.44Å; M400-M547 HydrophobicContact CG-SD 4.02Å |
| 401 | A | 97.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -51.9 | -45.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q399 L403 L404 Y405 S563 F564 | Q399-A401 PolarHBondContact O-N 3.4Å; A401-L403 PolarHBondContact O-N 2.96Å; A401-L404 PolarHBondContact O-N 3.41Å; A401-Y405 WeakPolarHBondContact O-CB 3.26Å; A401-Y405 PolarHBondContact O-N 3.21Å; A401-S563 PolarHBondContact O-OG 3.31Å; A401-F564 HydrophobicContact CB-CE2 3.67Å; A401-F564 HydrophobicContact CB-CZ 4.38Å |
| 402 | E | 97.8 | Very high | 92.9 | Very high | 23 Ų | 23 | 26.3 Ų | 26.3 | 11% | 0.107 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.4 | -41.1 | -178.2 | -175.3 | 166.5 | -145.9 | 0 | 0 | 111.8 | R341 K345 Q399 M400 Y405 F406 M557 Y560 | R341-E402 HydrophobicContact CG-CB 4.49Å; R341-E402 HydrophobicContact CG-CG 4.46Å; K345-E402 IonicContact NZ-OE1 3.91Å; K345-E402 PolarHBondContact NZ-OE1 3.35Å; K345-E402 VanDerWaalsContact NZ-OE1 3.16Å; Q399-E402 PolarHBondContact O-N 3.46Å; M400-E402 VanDerWaalsContact C-N 3.28Å; M400-E402 PolarHBondContact O-N 2.95Å; E402-Y405 PolarHBondContact O-N 3.43Å; E402-F406 HydrophobicContact CG-CD2 3.83Å; E402-F406 HydrophobicContact CG-CE2 3.54Å; E402-F406 VanDerWaalsContact O-CD2 3.23Å; E402-F406 WeakPolarHBondContact O-CD2 3.49Å; E402-F406 PolarHBondContact O-N 3.24Å; E402-F406 VanDerWaalsContact O-N 3.14Å; E402-M557 HydrophobicContact CB-CE 4.35Å; E402-M557 HydrophobicContact CB-SD 3.99Å; E402-Y560 HydrophobicContact CB-CD2 3.56Å; E402-Y560 HydrophobicContact CB-CE2 3.57Å; E402-Y560 HydrophobicContact CB-CG 4.2Å; E402-Y560 HydrophobicContact CG-CD2 3.99Å; E402-Y560 HydrophobicContact CG-CE1 4.36Å; E402-Y560 HydrophobicContact CG-CE2 3.49Å; E402-Y560 VanDerWaalsContact CG-CE2 3.49Å; E402-Y560 PolarHBondContact OE1-OH 3.29Å |
| 403 | L | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.3 | -49.7 | 178.2 | -175.7 | 62.2 | 0 | 0 | 0 | 110.9 | R337 L340 R341 L344 V376 M400 A401 Y405 F406 M407 | R337-L403 HydrophobicContact CG-CD2 4.44Å; L340-L403 HydrophobicContact CB-CD1 4.01Å; R341-L403 HydrophobicContact CG-CB 3.87Å; R341-L403 HydrophobicContact CG-CD1 4.22Å; L344-L403 HydrophobicContact CD2-CD1 4.24Å; V376-L403 HydrophobicContact CG2-CD2 3.9Å; M400-L403 PolarHBondContact O-N 3.34Å; M400-L403 HydrophobicContact SD-CB 4.4Å; M400-L403 HydrophobicContact SD-CD2 4.23Å; A401-L403 PolarHBondContact O-N 2.96Å; L403-Y405 VanDerWaalsContact C-N 3.3Å; L403-Y405 PolarHBondContact O-N 3.16Å; L403-F406 PolarHBondContact O-N 2.96Å; L403-M407 HydrophobicContact CG-SD 4.43Å; L403-M407 WeakPolarHBondContact O-CG 3.49Å; L403-M407 PolarHBondContact O-N 2.97Å; L403-M407 VanDerWaalsContact O-N 3.09Å |
| 404 | L | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 177.6 | -64.9 | 179.8 | 0 | 0 | 0 | 111.4 | V376 M400 A401 F406 M407 E408 L534 F544 F564 V567 | V376-L404 HydrophobicContact CG2-CD2 4.26Å; M400-L404 HydrophobicContact CG-CD1 3.92Å; M400-L404 HydrophobicContact CG-CG 4.04Å; M400-L404 WeakPolarHBondContact O-CG 3.32Å; M400-L404 PolarHBondContact O-N 3.29Å; M400-L404 HydrophobicContact SD-CD2 4.33Å; M400-L404 HydrophobicContact SD-CG 4.08Å; A401-L404 PolarHBondContact O-N 3.41Å; L404-F406 PolarHBondContact O-N 3.2Å; L404-M407 HydrophobicContact CD2-SD 4.49Å; L404-M407 WeakPolarHBondContact O-CB 3.36Å; L404-M407 PolarHBondContact O-N 3.18Å; L404-E408 WeakPolarHBondContact O-CG 3.47Å; L404-E408 PolarHBondContact O-N 3.23Å; L404-L534 HydrophobicContact CD2-CD1 3.49Å; L404-L534 VanDerWaalsContact CD2-CD1 3.49Å; L404-F544 HydrophobicContact CD1-CE2 4.48Å; L404-F564 HydrophobicContact CD1-CD1 4.46Å; L404-F564 HydrophobicContact CD1-CE1 4.19Å; L404-F564 HydrophobicContact CD1-CZ 4.34Å; L404-V567 HydrophobicContact CD2-CG2 4.43Å |
| 405 | Y | 97.5 | Very high | 95.5 | Very high | 18 Ų | 18 | 21 Ų | 21 | 7% | 0.071 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.5 | -46.8 | 178.9 | 179.6 | -89.9 | 0 | 0 | 0 | 112.5 | A401 E402 L403 E408 K409 Y560 L686 | A401-Y405 WeakPolarHBondContact O-CB 3.26Å; A401-Y405 PolarHBondContact O-N 3.21Å; E402-Y405 PolarHBondContact O-N 3.43Å; L403-Y405 VanDerWaalsContact C-N 3.3Å; L403-Y405 PolarHBondContact O-N 3.16Å; Y405-E408 PolarHBondContact O-N 3.46Å; Y405-K409 HydrophobicContact CD1-CG 4.03Å; Y405-K409 HydrophobicContact CE1-CD 4.46Å; Y405-K409 HydrophobicContact CE1-CG 3.62Å; Y405-K409 VanDerWaalsContact CZ-CE 3.48Å; Y405-K409 WeakPolarHBondContact O-CB 3.39Å; Y405-K409 WeakPolarHBondContact O-CG 3.42Å; Y405-K409 PolarHBondContact O-N 3.29Å; Y405-K409 WeakPolarHBondContact OH-CE 3.47Å; Y405-Y560 AromaticContact CD1-CD1 3.53Å; Y405-Y560 HydrophobicContact CD1-CD1 3.53Å; Y405-Y560 AromaticContact CD1-CE1 3.77Å; Y405-Y560 HydrophobicContact CD1-CE1 3.77Å; Y405-Y560 AromaticContact CD2-CD1 3.83Å; Y405-Y560 HydrophobicContact CD2-CD1 3.83Å; Y405-Y560 HydrophobicContact CE1-CD1 4.02Å; Y405-Y560 HydrophobicContact CE1-CE1 4.04Å; Y405-Y560 HydrophobicContact CE2-CD1 4.26Å; Y405-Y560 AromaticContact CG-CD1 3.43Å; Y405-Y560 HydrophobicContact CG-CD1 3.43Å; Y405-Y560 VanDerWaalsContact CG-CD1 3.43Å; Y405-Y560 HydrophobicContact CG-CE1 4.16Å; Y405-Y560 HydrophobicContact CG-CG 4.25Å; Y405-L686 HydrophobicContact CD2-CD1 3.97Å; Y405-L686 HydrophobicContact CD2-CD2 4.18Å; Y405-L686 HydrophobicContact CD2-CG 4.49Å; Y405-L686 HydrophobicContact CE2-CB 4.12Å; Y405-L686 HydrophobicContact CE2-CD1 3.8Å; Y405-L686 HydrophobicContact CE2-CD2 4.5Å; Y405-L686 HydrophobicContact CE2-CG 4.36Å |
| 406 | F | 97.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 2% | 0.022 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -73.2 | -28.6 | 179.5 | -71.1 | -61.4 | 0 | 0 | 0 | 113.2 | L344 K345 F348 E402 L403 L404 K409 L410 Y560 | L344-F406 HydrophobicContact CB-CB 3.88Å; L344-F406 HydrophobicContact CD2-CB 4.34Å; K345-F406 HydrophobicContact CB-CD1 4.47Å; K345-F406 HydrophobicContact CB-CD2 3.92Å; K345-F406 HydrophobicContact CB-CE1 4.16Å; K345-F406 HydrophobicContact CB-CE2 3.55Å; K345-F406 HydrophobicContact CB-CG 4.39Å; K345-F406 HydrophobicContact CB-CZ 3.71Å; K345-F406 HydrophobicContact CD-CE2 3.74Å; K345-F406 HydrophobicContact CD-CZ 3.72Å; K345-F406 HydrophobicContact CG-CE1 4Å; K345-F406 HydrophobicContact CG-CE2 3.69Å; K345-F406 HydrophobicContact CG-CZ 3.41Å; K345-F406 VanDerWaalsContact CG-CZ 3.41Å; F348-F406 HydrophobicContact CB-CD1 4.04Å; F348-F406 AromaticContact CD1-CD1 3.73Å; F348-F406 HydrophobicContact CD1-CD1 3.73Å; F348-F406 AromaticContact CD1-CE1 3.67Å; F348-F406 HydrophobicContact CD1-CE1 3.67Å; F348-F406 HydrophobicContact CE1-CE1 4.3Å; F348-F406 HydrophobicContact CG-CD1 4.03Å; F348-F406 HydrophobicContact CG-CE1 4.42Å; E402-F406 HydrophobicContact CG-CD2 3.83Å; E402-F406 HydrophobicContact CG-CE2 3.54Å; E402-F406 VanDerWaalsContact O-CD2 3.23Å; E402-F406 WeakPolarHBondContact O-CD2 3.49Å; E402-F406 PolarHBondContact O-N 3.24Å; E402-F406 VanDerWaalsContact O-N 3.14Å; L403-F406 PolarHBondContact O-N 2.96Å; L404-F406 PolarHBondContact O-N 3.2Å; F406-K409 PolarHBondContact O-N 2.97Å; F406-L410 WeakPolarHBondContact O-CB 3.44Å; F406-L410 WeakPolarHBondContact O-CG 3.4Å; F406-L410 PolarHBondContact O-N 3.24Å; F406-Y560 HydrophobicContact CE2-CE1 4.28Å; F406-Y560 HydrophobicContact CZ-CE1 4.22Å |
| 407 | M | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.9 | -49.4 | 168 | -69.1 | 175.4 | 69.6 | 0 | 0 | 110.9 | L344 L369 S372 R373 V376 L403 L404 K409 L410 R411 L534 | L344-M407 HydrophobicContact CD2-CG 3.87Å; L369-M407 HydrophobicContact CD2-CB 4.1Å; L369-M407 HydrophobicContact CD2-CG 4.35Å; S372-M407 WeakPolarHBondContact CB-SD 3.47Å; R373-M407 HydrophobicContact CB-CE 4.04Å; V376-M407 HydrophobicContact CG2-SD 4.5Å; L403-M407 HydrophobicContact CG-SD 4.43Å; L403-M407 WeakPolarHBondContact O-CG 3.49Å; L403-M407 PolarHBondContact O-N 2.97Å; L403-M407 VanDerWaalsContact O-N 3.09Å; L404-M407 HydrophobicContact CD2-SD 4.49Å; L404-M407 WeakPolarHBondContact O-CB 3.36Å; L404-M407 PolarHBondContact O-N 3.18Å; M407-K409 PolarHBondContact O-N 2.94Å; M407-L410 PolarHBondContact O-N 3.25Å; M407-R411 VanDerWaalsContact O-CG 3.3Å; M407-R411 WeakPolarHBondContact O-CG 3.3Å; M407-R411 PolarHBondContact O-N 2.92Å; M407-L534 HydrophobicContact CE-CD1 3.93Å; M407-L534 HydrophobicContact CE-CD2 4.42Å; M407-L534 HydrophobicContact CE-CG 4.28Å; M407-L534 HydrophobicContact SD-CD1 4.36Å |
| 408 | E | 96.3 | Very high | 96.4 | Very high | 19 Ų | 19 | 30.7 Ų | 30.7 | 9% | 0.089 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.6 | -40.4 | 178.5 | -70 | -59.6 | 103 | 0 | 0 | 112.4 | L404 Y405 R411 G412 S566 V567 H570 L686 | L404-E408 WeakPolarHBondContact O-CG 3.47Å; L404-E408 PolarHBondContact O-N 3.23Å; Y405-E408 PolarHBondContact O-N 3.46Å; E408-R411 PolarHBondContact O-N 3.18Å; E408-R411 WeakPolarHBondContact OE1-CD 3.26Å; E408-R411 IonicContact OE1-NE 3.15Å; E408-R411 PolarHBondContact OE1-NE 3.02Å; E408-G412 PolarHBondContact O-N 3.02Å; E408-S566 PolarHBondContact OE2-OG 2.99Å; E408-V567 HydrophobicContact CG-CG2 4.45Å; E408-H570 IonicContact OE1-CE1 3.97Å; E408-H570 PolarHBondContact OE1-CE1 3.39Å; E408-H570 IonicContact OE1-NE2 3.05Å; E408-H570 PolarHBondContact OE1-NE2 3.17Å; E408-H570 IonicContact OE2-NE2 2.64Å; E408-L686 HydrophobicContact CB-CD1 4.25Å |
| 409 | K | 96.1 | Very high | 96.6 | Very high | 38 Ų | 38 | 31.7 Ų | 31.7 | 17% | 0.165 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.2 | -40.4 | 176.9 | -80.4 | -63.5 | -172.6 | -172.3 | 0 | 112.8 | F348 Y405 F406 M407 G412 L413 S685 L686 | F348-K409 HydrophobicContact CD2-CB 3.67Å; F348-K409 HydrophobicContact CE1-CB 4.35Å; F348-K409 HydrophobicContact CE1-CG 4.37Å; F348-K409 HydrophobicContact CE2-CB 3.51Å; F348-K409 HydrophobicContact CE2-CD 4.12Å; F348-K409 HydrophobicContact CE2-CG 4.13Å; F348-K409 HydrophobicContact CG-CB 4.19Å; F348-K409 HydrophobicContact CZ-CB 3.87Å; F348-K409 HydrophobicContact CZ-CD 3.86Å; F348-K409 HydrophobicContact CZ-CG 3.97Å; Y405-K409 HydrophobicContact CD1-CG 4.03Å; Y405-K409 HydrophobicContact CE1-CD 4.46Å; Y405-K409 HydrophobicContact CE1-CG 3.62Å; Y405-K409 VanDerWaalsContact CZ-CE 3.48Å; Y405-K409 WeakPolarHBondContact O-CB 3.39Å; Y405-K409 WeakPolarHBondContact O-CG 3.42Å; Y405-K409 PolarHBondContact O-N 3.29Å; Y405-K409 WeakPolarHBondContact OH-CE 3.47Å; F406-K409 PolarHBondContact O-N 2.97Å; M407-K409 PolarHBondContact O-N 2.94Å; K409-G412 PolarHBondContact O-N 3.41Å; K409-L413 PolarHBondContact O-N 3.34Å; K409-S685 PolarHBondContact NZ-O 3.3Å; K409-L686 HydrophobicContact CD-CD1 3.91Å; K409-L686 HydrophobicContact CG-CD1 4Å |
| 410 | L | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 174.4 | -75.1 | 173.4 | 0 | 0 | 0 | 111.9 | L344 L347 F348 L351 V365 A368 L369 F406 M407 G412 L413 M414 | L344-L410 HydrophobicContact CB-CD1 4.44Å; L344-L410 HydrophobicContact CD2-CD1 4.18Å; L344-L410 HydrophobicContact CG-CD1 3.92Å; L347-L410 HydrophobicContact CD2-CD1 4.33Å; L347-L410 HydrophobicContact CG-CD2 4.38Å; F348-L410 HydrophobicContact CB-CD2 3.96Å; F348-L410 HydrophobicContact CB-CG 4.25Å; F348-L410 HydrophobicContact CD2-CD2 4.4Å; L351-L410 HydrophobicContact CD1-CD2 4.03Å; V365-L410 HydrophobicContact CG1-CB 4.28Å; A368-L410 HydrophobicContact CB-CD1 4.33Å; L369-L410 HydrophobicContact CD2-CB 4.19Å; F406-L410 WeakPolarHBondContact O-CB 3.44Å; F406-L410 WeakPolarHBondContact O-CG 3.4Å; F406-L410 PolarHBondContact O-N 3.24Å; M407-L410 PolarHBondContact O-N 3.25Å; L410-G412 VanDerWaalsContact C-N 3.3Å; L410-G412 PolarHBondContact O-N 3.24Å; L410-L413 PolarHBondContact O-N 3.19Å; L410-M414 PolarHBondContact O-N 3.06Å; L410-M414 VanDerWaalsContact O-N 3.09Å |
| 411 | R | 96.4 | Very high | 96.7 | Very high | 11 Ų | 11 | 31 Ų | 31 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.3 | -45.8 | 171.9 | -69.9 | 164.9 | 66.1 | 74.6 | -4.2 | 110.8 | L369 M407 E408 M414 K415 L528 S532 H570 | L369-R411 HydrophobicContact CD1-CG 4.18Å; L369-R411 HydrophobicContact CD2-CG 4.11Å; M407-R411 VanDerWaalsContact O-CG 3.3Å; M407-R411 WeakPolarHBondContact O-CG 3.3Å; M407-R411 PolarHBondContact O-N 2.92Å; E408-R411 PolarHBondContact O-N 3.18Å; E408-R411 WeakPolarHBondContact OE1-CD 3.26Å; E408-R411 IonicContact OE1-NE 3.15Å; E408-R411 PolarHBondContact OE1-NE 3.02Å; R411-M414 PolarHBondContact O-N 3.27Å; R411-K415 WeakPolarHBondContact O-CG 3.43Å; R411-K415 PolarHBondContact O-N 3.36Å; R411-K415 VanDerWaalsContact O-N 3.08Å; R411-L528 HydrophobicContact CG-CD2 4.19Å; R411-L528 VanDerWaalsContact NH1-C 3.31Å; R411-L528 PolarHBondContact NH1-O 3.28Å; R411-S532 WeakPolarHBondContact CD-OG 3.43Å; R411-S532 PolarHBondContact NH1-OG 2.8Å; R411-H570 VanDerWaalsContact CZ-NE2 3.32Å; R411-H570 PolarHBondContact NE-CE1 3.15Å; R411-H570 PolarHBondContact NE-NE2 3.42Å; R411-H570 VanDerWaalsContact NE-NE2 3.15Å; R411-H570 PolarHBondContact NH2-CD2 2.89Å; R411-H570 PolarHBondContact NH2-NE2 3.49Å |
| 412 | G | 94.9 | Very high | 96.7 | Very high | 34 Ų | 34 | 32.9 Ų | 32.9 | 35% | 0.351 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E408 K409 L410 K415 K416 | E408-G412 PolarHBondContact O-N 3.02Å; K409-G412 PolarHBondContact O-N 3.41Å; L410-G412 VanDerWaalsContact C-N 3.3Å; L410-G412 PolarHBondContact O-N 3.24Å; G412-K415 PolarHBondContact O-N 2.91Å; G412-K416 WeakPolarHBondContact O-CB 3.44Å; G412-K416 PolarHBondContact O-N 3.39Å |
| 413 | L | 96 | Very high | 96.7 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.9 | -47.5 | 175.5 | -76.6 | -178.2 | 0 | 0 | 0 | 112 | F348 L351 E352 L358 K409 L410 K415 K416 Y417 | F348-L413 HydrophobicContact CD2-CD1 3.42Å; F348-L413 VanDerWaalsContact CD2-CD1 3.42Å; F348-L413 HydrophobicContact CD2-CG 4.08Å; F348-L413 HydrophobicContact CE2-CD1 3.52Å; F348-L413 HydrophobicContact CE2-CD2 4.32Å; F348-L413 HydrophobicContact CE2-CG 3.77Å; L351-L413 HydrophobicContact CB-CD1 3.94Å; E352-L413 HydrophobicContact CB-CD1 4.31Å; L358-L413 HydrophobicContact CD1-CB 4.42Å; K409-L413 PolarHBondContact O-N 3.34Å; L410-L413 PolarHBondContact O-N 3.19Å; L413-K415 VanDerWaalsContact C-N 3.32Å; L413-K415 PolarHBondContact O-N 3.38Å; L413-K416 PolarHBondContact O-N 3.13Å; L413-Y417 HydrophobicContact CD2-CD2 4.03Å; L413-Y417 HydrophobicContact CD2-CE2 3.76Å; L413-Y417 WeakPolarHBondContact O-CD2 3.47Å; L413-Y417 PolarHBondContact O-N 2.96Å |
| 414 | M | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.7 | -42.1 | 178.6 | -72.9 | -63.6 | -64.1 | 0 | 0 | 111.8 | L358 V365 M366 L410 R411 N418 V421 M520 V524 L528 | L358-M414 HydrophobicContact CD2-SD 3.79Å; V365-M414 HydrophobicContact CB-SD 4.4Å; V365-M414 HydrophobicContact CG1-CG 3.76Å; V365-M414 HydrophobicContact CG1-SD 4.21Å; V365-M414 HydrophobicContact CG2-SD 4.33Å; M366-M414 HydrophobicContact CE-CE 3.87Å; L410-M414 PolarHBondContact O-N 3.06Å; L410-M414 VanDerWaalsContact O-N 3.09Å; R411-M414 PolarHBondContact O-N 3.27Å; M414-N418 VanDerWaalsContact O-CA 3.28Å; M414-N418 WeakPolarHBondContact O-CA 3.23Å; M414-N418 WeakPolarHBondContact O-CB 3.41Å; M414-N418 PolarHBondContact O-N 3.29Å; M414-V421 HydrophobicContact CE-CG1 4.11Å; M414-V421 HydrophobicContact CE-CG2 3.9Å; M414-V421 HydrophobicContact SD-CG2 4.21Å; M414-M520 HydrophobicContact CE-SD 4.39Å; M414-V524 HydrophobicContact CB-CG1 4.37Å; M414-V524 HydrophobicContact CE-CG1 3.92Å; M414-L528 HydrophobicContact CB-CD1 3.96Å; M414-L528 HydrophobicContact CB-CD2 4.01Å; M414-L528 HydrophobicContact CB-CG 4.44Å; M414-L528 HydrophobicContact CG-CD2 4.1Å |
| 415 | K | 95.3 | Very high | 96.6 | Very high | 108 Ų | 108 | 38.8 Ų | 38.8 | 47% | 0.47 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.6 | -48.3 | 175.6 | -70 | -179.6 | 178.6 | -173.1 | 0 | 112.1 | R411 G412 L413 Y417 N418 L528 | R411-K415 WeakPolarHBondContact O-CG 3.43Å; R411-K415 PolarHBondContact O-N 3.36Å; R411-K415 VanDerWaalsContact O-N 3.08Å; G412-K415 PolarHBondContact O-N 2.91Å; L413-K415 VanDerWaalsContact C-N 3.32Å; L413-K415 PolarHBondContact O-N 3.38Å; K415-Y417 VanDerWaalsContact C-N 3.33Å; K415-Y417 PolarHBondContact O-N 3.16Å; K415-N418 PolarHBondContact O-N 3.06Å; K415-L528 HydrophobicContact CG-CD1 3.85Å |
| 416 | K | 95.6 | Very high | 96.6 | Very high | 152 Ų | 152 | 38 Ų | 38 | 66% | 0.661 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -62.7 | -39 | -177.2 | -177.1 | 179.9 | 177.3 | -165.8 | 0 | 112.4 | G412 L413 | G412-K416 WeakPolarHBondContact O-CB 3.44Å; G412-K416 PolarHBondContact O-N 3.39Å; L413-K416 PolarHBondContact O-N 3.13Å |
| 417 | Y | 96.9 | Very high | 96.6 | Very high | 62 Ų | 62 | 40.8 Ų | 40.8 | 24% | 0.243 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 25.4 | -177.6 | -61.9 | -76.6 | 0 | 0 | 0 | 112.6 | P355 L358 L413 K415 H419 V420 V421 | P355-Y417 HydrophobicContact CB-CD1 3.79Å; P355-Y417 HydrophobicContact CB-CD2 3.92Å; P355-Y417 HydrophobicContact CB-CE1 3.84Å; P355-Y417 HydrophobicContact CB-CE2 3.99Å; P355-Y417 HydrophobicContact CB-CG 3.83Å; P355-Y417 HydrophobicContact CG-CD1 4.38Å; P355-Y417 HydrophobicContact CG-CD2 4.35Å; P355-Y417 HydrophobicContact CG-CE1 3.91Å; P355-Y417 HydrophobicContact CG-CE2 3.9Å; L358-Y417 HydrophobicContact CD1-CD2 4.06Å; L358-Y417 HydrophobicContact CD1-CG 4.17Å; L413-Y417 HydrophobicContact CD2-CD2 4.03Å; L413-Y417 HydrophobicContact CD2-CE2 3.76Å; L413-Y417 WeakPolarHBondContact O-CD2 3.47Å; L413-Y417 PolarHBondContact O-N 2.96Å; K415-Y417 VanDerWaalsContact C-N 3.33Å; K415-Y417 PolarHBondContact O-N 3.16Å; Y417-H419 PolarHBondContact O-N 2.78Å; Y417-V420 HydrophobicContact CD1-CG2 4.41Å; Y417-V420 WeakPolarHBondContact O-CB 3.45Å; Y417-V420 PolarHBondContact O-N 3.41Å; Y417-V421 PolarHBondContact O-N 3.21Å |
| 418 | N | 96.1 | Very high | 96.5 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 21% | 0.214 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -53.7 | -40.6 | -179 | -173.6 | 27.4 | 0 | 0 | 0 | 112.2 | M414 K415 V420 V421 Q422 V524 | M414-N418 VanDerWaalsContact O-CA 3.28Å; M414-N418 WeakPolarHBondContact O-CA 3.23Å; M414-N418 WeakPolarHBondContact O-CB 3.41Å; M414-N418 PolarHBondContact O-N 3.29Å; K415-N418 PolarHBondContact O-N 3.06Å; N418-V420 PolarHBondContact O-N 3.02Å; N418-V421 WeakPolarHBondContact O-CB 3.4Å; N418-V421 PolarHBondContact O-N 3.28Å; N418-Q422 WeakPolarHBondContact O-CG 3.35Å; N418-Q422 PolarHBondContact O-N 2.92Å; N418-V524 WeakPolarHBondContact OD1-CG2 3.34Å |
| 419 | H | 95.4 | Very high | 96.6 | Very high | 84 Ų | 84 | 41.6 Ų | 41.6 | 39% | 0.389 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -54.3 | -37 | 174.8 | 169.7 | -85 | 0 | 0 | 0 | 113.5 | Y417 R423 D471 | Y417-H419 PolarHBondContact O-N 2.78Å; H419-R423 WeakPolarHBondContact O-CB 3.24Å; H419-R423 PolarHBondContact O-N 3.14Å; H419-D471 IonicContact NE2-OD1 2.72Å |
| 420 | V | 96.6 | Very high | 96.6 | Very high | 43 Ų | 43 | 40.7 Ų | 40.7 | 26% | 0.261 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67.7 | -44.1 | 177.7 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | Y417 N418 Y424 | Y417-V420 HydrophobicContact CD1-CG2 4.41Å; Y417-V420 WeakPolarHBondContact O-CB 3.45Å; Y417-V420 PolarHBondContact O-N 3.41Å; N418-V420 PolarHBondContact O-N 3.02Å; V420-Y424 WeakPolarHBondContact O-CB 3.34Å; V420-Y424 PolarHBondContact O-N 2.71Å |
| 421 | V | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -50.4 | 177.5 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | L358 M414 Y417 N418 R423 Y424 H425 M520 V524 | L358-V421 HydrophobicContact CB-CG2 3.81Å; M414-V421 HydrophobicContact CE-CG1 4.11Å; M414-V421 HydrophobicContact CE-CG2 3.9Å; M414-V421 HydrophobicContact SD-CG2 4.21Å; Y417-V421 PolarHBondContact O-N 3.21Å; N418-V421 WeakPolarHBondContact O-CB 3.4Å; N418-V421 PolarHBondContact O-N 3.28Å; V421-R423 PolarHBondContact O-N 3.47Å; V421-Y424 PolarHBondContact O-N 2.96Å; V421-H425 PolarHBondContact O-CD2 3.47Å; V421-H425 VanDerWaalsContact O-CD2 3.29Å; V421-H425 PolarHBondContact O-N 2.99Å; V421-M520 HydrophobicContact CG1-CB 3.96Å; V421-M520 HydrophobicContact CG1-SD 4.39Å; V421-V524 HydrophobicContact CG1-CG2 4.4Å |
| 422 | Q | 96.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 51 Ų | 51 | 19% | 0.187 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.7 | -49.6 | 177 | -71.4 | -178.4 | -40.9 | 0 | 0 | 111.6 | N418 Y424 H425 V426 V470 V521 | N418-Q422 WeakPolarHBondContact O-CG 3.35Å; N418-Q422 PolarHBondContact O-N 2.92Å; Q422-Y424 PolarHBondContact O-N 3.04Å; Q422-H425 PolarHBondContact O-N 3.16Å; Q422-V426 WeakPolarHBondContact O-CB 3.32Å; Q422-V426 VanDerWaalsContact O-CG2 3.32Å; Q422-V426 WeakPolarHBondContact O-CG2 3.19Å; Q422-V426 PolarHBondContact O-N 2.99Å; Q422-V470 HydrophobicContact CB-CG1 4.16Å; Q422-V521 WeakPolarHBondContact CG-O 3.34Å; Q422-V521 PolarHBondContact NE2-O 3.45Å |
| 423 | R | 97.3 | Very high | 96.5 | Very high | 87 Ų | 87 | 49.4 Ų | 49.4 | 33% | 0.328 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.5 | -47.2 | -179.9 | -176.1 | 175.2 | 177.1 | 107.3 | 1.6 | 111.7 | H419 V421 Q427 I467 V470 D471 | H419-R423 WeakPolarHBondContact O-CB 3.24Å; H419-R423 PolarHBondContact O-N 3.14Å; V421-R423 PolarHBondContact O-N 3.47Å; R423-Q427 WeakPolarHBondContact O-CG 3.35Å; R423-Q427 PolarHBondContact O-N 3.08Å; R423-I467 HydrophobicContact CG-CG2 4.26Å; R423-V470 HydrophobicContact CB-CG1 4.14Å; R423-D471 VanDerWaalsContact NH1-CG 3.33Å; R423-D471 IonicContact NH1-OD1 2.98Å; R423-D471 PolarHBondContact NH1-OD1 2.99Å; R423-D471 IonicContact NH1-OD2 2.67Å; R423-D471 PolarHBondContact NH1-OD2 3.39Å; R423-D471 VanDerWaalsContact NH1-OD2 3.15Å |
| 424 | Y | 97.6 | Very high | 96.6 | Very high | 58 Ų | 58 | 48.9 Ų | 48.9 | 23% | 0.227 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.8 | -50.3 | 178.7 | -179.6 | -93 | 0 | 0 | 0 | 111.6 | G359 P360 V420 V421 Q422 Q427 Y428 | G359-Y424 VanDerWaalsContact C-CD1 3.43Å; P360-Y424 HydrophobicContact CB-CE1 4.48Å; P360-Y424 HydrophobicContact CB-CE2 4.29Å; P360-Y424 HydrophobicContact CG-CE2 4.49Å; V420-Y424 WeakPolarHBondContact O-CB 3.34Å; V420-Y424 PolarHBondContact O-N 2.71Å; V421-Y424 PolarHBondContact O-N 2.96Å; Q422-Y424 PolarHBondContact O-N 3.04Å; Y424-Q427 PolarHBondContact O-N 2.85Å; Y424-Y428 AromaticContact CE1-CD2 3.66Å; Y424-Y428 HydrophobicContact CE1-CD2 3.66Å; Y424-Y428 HydrophobicContact CE1-CE2 4.29Å; Y424-Y428 AromaticContact CZ-CD2 3.82Å; Y424-Y428 PolarHBondContact O-N 3.42Å |
| 425 | H | 97.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.019 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73.1 | -30.1 | -176.4 | -75 | -70.3 | 0 | 0 | 0 | 113.6 | G359 V421 Q422 Q427 Y428 L429 H517 M520 V521 | G359-H425 PolarHBondContact O-NE2 3.34Å; V421-H425 PolarHBondContact O-CD2 3.47Å; V421-H425 VanDerWaalsContact O-CD2 3.29Å; V421-H425 PolarHBondContact O-N 2.99Å; Q422-H425 PolarHBondContact O-N 3.16Å; H425-Q427 VanDerWaalsContact C-N 3.34Å; H425-Y428 PolarHBondContact O-N 3.12Å; H425-L429 VanDerWaalsContact O-CB 3.31Å; H425-L429 WeakPolarHBondContact O-CB 3.38Å; H425-L429 WeakPolarHBondContact O-CD1 3.35Å; H425-L429 WeakPolarHBondContact O-CG 3.25Å; H425-L429 PolarHBondContact O-N 2.87Å; H425-H517 AromaticContact CE1-CD2 3.55Å; H425-H517 AromaticContact ND1-CD2 3.35Å; H425-H517 PolarHBondContact ND1-CD2 3.38Å; H425-H517 AromaticContact ND1-CG 3.68Å; H425-M520 HydrophobicContact CB-CB 4.18Å; H425-M520 WeakPolarHBondContact CD2-CB 3.33Å; H425-V521 HydrophobicContact CB-CG2 3.74Å |
| 426 | V | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 169.9 | 160.5 | 0 | 0 | 0 | 0 | 111.2 | Q422 A430 L465 V470 F476 V521 | Q422-V426 WeakPolarHBondContact O-CB 3.32Å; Q422-V426 VanDerWaalsContact O-CG2 3.32Å; Q422-V426 WeakPolarHBondContact O-CG2 3.19Å; Q422-V426 PolarHBondContact O-N 2.99Å; V426-A430 WeakPolarHBondContact O-CB 3.46Å; V426-A430 PolarHBondContact O-N 3.04Å; V426-A430 VanDerWaalsContact O-N 3.08Å; V426-L465 HydrophobicContact CG1-CB 4.17Å; V426-V470 HydrophobicContact CB-CG2 4.06Å; V426-V470 HydrophobicContact CG1-CG2 4.23Å; V426-V470 HydrophobicContact CG2-CG2 3.72Å; V426-F476 HydrophobicContact CG2-CE1 4.15Å; V426-F476 HydrophobicContact CG2-CZ 4.07Å; V426-V521 HydrophobicContact CG2-CG1 3.74Å; V426-V521 HydrophobicContact CG2-CG2 3.87Å |
| 427 | Q | 96.7 | Very high | 96.5 | Very high | 64 Ų | 64 | 44.7 Ų | 44.7 | 30% | 0.299 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.4 | -43.9 | 174.9 | -68.6 | 179.8 | -91.5 | 0 | 0 | 111.5 | R423 Y424 H425 A430 Q431 I467 | R423-Q427 WeakPolarHBondContact O-CG 3.35Å; R423-Q427 PolarHBondContact O-N 3.08Å; Y424-Q427 PolarHBondContact O-N 2.85Å; H425-Q427 VanDerWaalsContact C-N 3.34Å; Q427-A430 PolarHBondContact O-N 3.33Å; Q427-Q431 VanDerWaalsContact O-CB 3.26Å; Q427-Q431 WeakPolarHBondContact O-CB 3.33Å; Q427-Q431 WeakPolarHBondContact O-CG 3.49Å; Q427-Q431 PolarHBondContact O-N 3.49Å; Q427-I467 HydrophobicContact CG-CD1 3.51Å; Q427-I467 HydrophobicContact CG-CG1 3.39Å; Q427-I467 VanDerWaalsContact NE2-CD1 3.28Å |
| 428 | Y | 96.6 | Very high | 96.4 | Very high | 36 Ų | 36 | 44.9 Ų | 44.9 | 14% | 0.141 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.6 | -48.2 | 179.7 | -148.2 | -61 | 0 | 0 | 0 | 111.3 | P236 Y424 H425 A430 F432 D433 H517 | P236-Y428 HydrophobicContact CB-CE2 3.96Å; P236-Y428 HydrophobicContact CG-CE2 4.06Å; Y424-Y428 AromaticContact CE1-CD2 3.66Å; Y424-Y428 HydrophobicContact CE1-CD2 3.66Å; Y424-Y428 HydrophobicContact CE1-CE2 4.29Å; Y424-Y428 AromaticContact CZ-CD2 3.82Å; Y424-Y428 PolarHBondContact O-N 3.42Å; H425-Y428 PolarHBondContact O-N 3.12Å; Y428-A430 PolarHBondContact O-N 3.3Å; Y428-F432 HydrophobicContact CD1-CB 3.99Å; Y428-F432 HydrophobicContact CD1-CD1 4.03Å; Y428-F432 HydrophobicContact CD1-CG 4.34Å; Y428-F432 HydrophobicContact CE1-CB 4.01Å; Y428-F432 AromaticContact CE1-CD1 3.33Å; Y428-F432 HydrophobicContact CE1-CD1 3.33Å; Y428-F432 AromaticContact CE1-CE1 3.99Å; Y428-F432 HydrophobicContact CE1-CE1 3.99Å; Y428-F432 AromaticContact CE1-CG 3.86Å; Y428-F432 HydrophobicContact CE1-CG 3.86Å; Y428-F432 WeakPolarHBondContact O-CA 3.46Å; Y428-F432 WeakPolarHBondContact O-CB 3.45Å; Y428-F432 PolarHBondContact O-N 3.13Å; Y428-D433 WeakPolarHBondContact CD1-OD1 3.38Å; Y428-D433 WeakPolarHBondContact CE1-OD1 3.43Å; Y428-D433 PolarHBondContact O-N 3.03Å; Y428-H517 AromaticContact CD1-CE1 3.6Å; Y428-H517 AromaticContact CD1-ND1 3.78Å; Y428-H517 AromaticContact CE1-CE1 3.64Å |
| 429 | L | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -60 | -47.5 | 178.8 | -74.6 | 164.7 | 0 | 0 | 0 | 111.7 | H425 D433 A434 L462 L465 I514 H517 T518 V521 | H425-L429 VanDerWaalsContact O-CB 3.31Å; H425-L429 WeakPolarHBondContact O-CB 3.38Å; H425-L429 WeakPolarHBondContact O-CD1 3.35Å; H425-L429 WeakPolarHBondContact O-CG 3.25Å; H425-L429 PolarHBondContact O-N 2.87Å; L429-D433 HydrophobicContact CD2-CB 4.48Å; L429-D433 WeakPolarHBondContact CD2-OD2 3.38Å; L429-A434 WeakPolarHBondContact O-CB 3.29Å; L429-A434 PolarHBondContact O-N 2.64Å; L429-L462 HydrophobicContact CB-CD2 4.27Å; L429-L462 HydrophobicContact CD2-CD1 4.49Å; L429-L462 HydrophobicContact CD2-CD2 3.8Å; L429-L462 HydrophobicContact CG-CD2 4.45Å; L429-L465 HydrophobicContact CB-CD1 3.86Å; L429-L465 HydrophobicContact CD1-CD1 4.01Å; L429-I514 HydrophobicContact CD2-CG2 4.09Å; L429-H517 HydrophobicContact CD1-CB 4.34Å; L429-H517 HydrophobicContact CD2-CB 3.66Å; L429-H517 HydrophobicContact CG-CB 3.91Å; L429-T518 HydrophobicContact CD1-CG2 4.16Å; L429-T518 HydrophobicContact CD2-CG2 3.98Å; L429-V521 HydrophobicContact CD1-CG2 3.89Å |
| 430 | A | 97 | Very high | 96.2 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 16% | 0.157 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -74.3 | -40.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V426 Q427 Y428 L462 L465 | V426-A430 WeakPolarHBondContact O-CB 3.46Å; V426-A430 PolarHBondContact O-N 3.04Å; V426-A430 VanDerWaalsContact O-N 3.08Å; Q427-A430 PolarHBondContact O-N 3.33Å; Y428-A430 PolarHBondContact O-N 3.3Å; A430-L462 WeakPolarHBondContact CA-O 3.42Å; A430-L465 HydrophobicContact CB-CB 4.12Å; A430-L465 WeakPolarHBondContact CB-O 3.18Å |
| 431 | Q | 95.3 | Very high | 96 | Very high | 128 Ų | 128 | 43.4 Ų | 43.4 | 60% | 0.598 | 21% | 0.21 | S | C | * | . | I | π-helix | trans | -102.3 | -18.2 | -167 | -58.7 | -176.9 | -0.6 | 0 | 0 | 113.7 | Q427 L435 | Q427-Q431 VanDerWaalsContact O-CB 3.26Å; Q427-Q431 WeakPolarHBondContact O-CB 3.33Å; Q427-Q431 WeakPolarHBondContact O-CG 3.49Å; Q427-Q431 PolarHBondContact O-N 3.49Å; Q431-L435 VanDerWaalsContact O-CD1 3.23Å; Q431-L435 WeakPolarHBondContact O-CD1 3.25Å |
| 432 | F | 95.4 | Very high | 95.6 | Very high | 100 Ų | 100 | 49.8 Ų | 49.8 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -122.7 | -59.1 | 179.2 | -175.6 | -90.2 | 0 | 0 | 0 | 111.4 | Y428 A434 L435 L436 M513 | Y428-F432 HydrophobicContact CD1-CB 3.99Å; Y428-F432 HydrophobicContact CD1-CD1 4.03Å; Y428-F432 HydrophobicContact CD1-CG 4.34Å; Y428-F432 HydrophobicContact CE1-CB 4.01Å; Y428-F432 AromaticContact CE1-CD1 3.33Å; Y428-F432 HydrophobicContact CE1-CD1 3.33Å; Y428-F432 AromaticContact CE1-CE1 3.99Å; Y428-F432 HydrophobicContact CE1-CE1 3.99Å; Y428-F432 AromaticContact CE1-CG 3.86Å; Y428-F432 HydrophobicContact CE1-CG 3.86Å; Y428-F432 WeakPolarHBondContact O-CA 3.46Å; Y428-F432 WeakPolarHBondContact O-CB 3.45Å; Y428-F432 PolarHBondContact O-N 3.13Å; F432-A434 PolarHBondContact O-N 3.07Å; F432-L435 PolarHBondContact O-N 2.62Å; F432-L435 VanDerWaalsContact O-N 3.15Å; F432-L436 HydrophobicContact CE1-CD2 3.7Å; F432-L436 HydrophobicContact CZ-CD2 4.14Å; F432-L436 WeakPolarHBondContact O-CB 3.42Å; F432-L436 PolarHBondContact O-N 3.41Å; F432-M513 HydrophobicContact CE1-CE 4.36Å |
| 433 | D | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -64.7 | -41.8 | -171.5 | -62 | -29.2 | 0 | 0 | 0 | 112.4 | Y428 L429 L435 L436 L437 M513 I514 H517 | Y428-D433 WeakPolarHBondContact CD1-OD1 3.38Å; Y428-D433 WeakPolarHBondContact CE1-OD1 3.43Å; Y428-D433 PolarHBondContact O-N 3.03Å; L429-D433 HydrophobicContact CD2-CB 4.48Å; L429-D433 WeakPolarHBondContact CD2-OD2 3.38Å; D433-L435 VanDerWaalsContact C-N 3.29Å; D433-L435 PolarHBondContact O-N 3.36Å; D433-L436 PolarHBondContact O-N 2.99Å; D433-L437 WeakPolarHBondContact O-CB 3.12Å; D433-L437 PolarHBondContact O-N 3.2Å; D433-M513 WeakPolarHBondContact OD1-CE 3.07Å; D433-I514 HydrophobicContact CB-CD1 4.02Å; D433-I514 HydrophobicContact CB-CG1 3.65Å; D433-H517 IonicContact OD1-CE1 2.69Å; D433-H517 IonicContact OD1-ND1 3.01Å; D433-H517 IonicContact OD2-CE1 2.72Å; D433-H517 IonicContact OD2-CG 3.38Å; D433-H517 IonicContact OD2-ND1 3.96Å; D433-H517 PolarHBondContact OD2-ND1 3.07Å |
| 434 | A | 97 | Very high | 94.6 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.5 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L429 F432 N438 L462 | L429-A434 WeakPolarHBondContact O-CB 3.29Å; L429-A434 PolarHBondContact O-N 2.64Å; F432-A434 PolarHBondContact O-N 3.07Å; A434-N438 VanDerWaalsContact O-CB 3.27Å; A434-N438 WeakPolarHBondContact O-CB 3.29Å; A434-N438 PolarHBondContact O-N 3.19Å; A434-L462 HydrophobicContact CB-CB 3.81Å |
| 435 | L | 96.4 | Very high | 93.7 | Very high | 114 Ų | 114 | 57.1 Ų | 57.1 | 60% | 0.597 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -71.3 | -46 | 179.4 | -60.6 | -176.3 | 0 | 0 | 0 | 111.4 | Q431 F432 D433 N438 D439 | Q431-L435 VanDerWaalsContact O-CD1 3.23Å; Q431-L435 WeakPolarHBondContact O-CD1 3.25Å; F432-L435 PolarHBondContact O-N 2.62Å; F432-L435 VanDerWaalsContact O-N 3.15Å; D433-L435 VanDerWaalsContact C-N 3.29Å; D433-L435 PolarHBondContact O-N 3.36Å; L435-N438 PolarHBondContact O-N 3.39Å; L435-D439 PolarHBondContact O-N 3.24Å |
| 436 | L | 95.3 | Very high | 92.8 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 178.1 | 179.5 | 60.7 | 0 | 0 | 0 | 111.4 | F432 D433 D439 T440 V510 M513 | F432-L436 HydrophobicContact CE1-CD2 3.7Å; F432-L436 HydrophobicContact CZ-CD2 4.14Å; F432-L436 WeakPolarHBondContact O-CB 3.42Å; F432-L436 PolarHBondContact O-N 3.41Å; D433-L436 PolarHBondContact O-N 2.99Å; L436-D439 PolarHBondContact O-N 3.42Å; L436-T440 WeakPolarHBondContact O-CB 3.46Å; L436-T440 PolarHBondContact O-N 3.15Å; L436-T440 PolarHBondContact O-OG1 3.35Å; L436-V510 HydrophobicContact CD2-CG1 4.4Å; L436-V510 HydrophobicContact CD2-CG2 3.78Å; L436-V510 HydrophobicContact CG-CG1 4.33Å; L436-V510 HydrophobicContact CG-CG2 3.9Å; L436-M513 HydrophobicContact CD2-CE 4.37Å |
| 437 | L | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 175.5 | 179.6 | 61.4 | 0 | 0 | 0 | 110.8 | D433 D439 T440 I441 F458 V459 L462 M507 V510 M511 I514 | D433-L437 WeakPolarHBondContact O-CB 3.12Å; D433-L437 PolarHBondContact O-N 3.2Å; L437-D439 PolarHBondContact O-N 3.11Å; L437-T440 PolarHBondContact O-N 3.45Å; L437-I441 HydrophobicContact CD1-CD1 3.94Å; L437-I441 HydrophobicContact CD1-CG1 4.27Å; L437-I441 HydrophobicContact CD2-CD1 4.43Å; L437-I441 HydrophobicContact CG-CD1 3.72Å; L437-I441 HydrophobicContact CG-CG1 4.48Å; L437-I441 WeakPolarHBondContact O-CD1 3.36Å; L437-I441 VanDerWaalsContact O-CG1 3.24Å; L437-I441 WeakPolarHBondContact O-CG1 3.26Å; L437-I441 PolarHBondContact O-N 2.93Å; L437-F458 HydrophobicContact CD2-CB 3.76Å; L437-V459 HydrophobicContact CB-CG2 4.44Å; L437-V459 HydrophobicContact CD2-CG2 3.91Å; L437-V459 HydrophobicContact CG-CG2 3.95Å; L437-L462 HydrophobicContact CD2-CD1 4.31Å; L437-M507 HydrophobicContact CD1-CE 3.69Å; L437-M507 HydrophobicContact CD1-SD 3.59Å; L437-M507 VanDerWaalsContact CD1-SD 3.59Å; L437-V510 HydrophobicContact CB-CG1 4.12Å; L437-V510 HydrophobicContact CD1-CG1 4.2Å; L437-M511 HydrophobicContact CD1-CG 4.15Å; L437-M511 HydrophobicContact CD1-SD 3.61Å; L437-M511 HydrophobicContact CD2-SD 3.8Å; L437-M511 HydrophobicContact CG-SD 4.37Å; L437-I514 HydrophobicContact CB-CD1 4.03Å; L437-I514 HydrophobicContact CD1-CD1 4.44Å; L437-I514 HydrophobicContact CD2-CD1 3.84Å; L437-I514 HydrophobicContact CG-CD1 4.32Å |
| 438 | N | 94.8 | Very high | 91.4 | Very high | 65 Ų | 65 | 62 Ų | 62 | 35% | 0.348 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 178.3 | -173.8 | 60.2 | 0 | 0 | 0 | 111.8 | A434 L435 T440 I441 Q442 V459 | A434-N438 VanDerWaalsContact O-CB 3.27Å; A434-N438 WeakPolarHBondContact O-CB 3.29Å; A434-N438 PolarHBondContact O-N 3.19Å; L435-N438 PolarHBondContact O-N 3.39Å; N438-T440 VanDerWaalsContact C-N 3.33Å; N438-T440 PolarHBondContact O-N 3.31Å; N438-I441 PolarHBondContact O-N 2.92Å; N438-Q442 VanDerWaalsContact O-CG 3.31Å; N438-Q442 WeakPolarHBondContact O-CG 3.48Å; N438-Q442 PolarHBondContact O-N 3.21Å; N438-V459 HydrophobicContact CB-CG1 3.96Å; N438-V459 HydrophobicContact CB-CG2 4.08Å |
| 439 | D | 94.9 | Very high | 90.8 | Very high | 92 Ų | 92 | 68.2 Ų | 68.2 | 49% | 0.492 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 175.6 | -173.1 | 63.9 | 0 | 0 | 0 | 111.8 | L435 L436 L437 I441 Q442 N443 | L435-D439 PolarHBondContact O-N 3.24Å; L436-D439 PolarHBondContact O-N 3.42Å; L437-D439 PolarHBondContact O-N 3.11Å; D439-I441 VanDerWaalsContact C-N 3.33Å; D439-I441 PolarHBondContact O-N 3.45Å; D439-Q442 PolarHBondContact O-N 3.31Å; D439-N443 PolarHBondContact O-N 2.97Å; D439-N443 PolarHBondContact O-ND2 2.64Å; D439-N443 PolarHBondContact OD2-ND2 2.92Å |
| 440 | T | 92.6 | Very high | 90.1 | Very high | 23 Ų | 23 | 73.4 Ų | 73.4 | 14% | 0.141 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.5 | -41 | 176.9 | -54.8 | 0 | 0 | 0 | 0 | 112 | L436 L437 N438 M507 | L436-T440 WeakPolarHBondContact O-CB 3.46Å; L436-T440 PolarHBondContact O-N 3.15Å; L436-T440 PolarHBondContact O-OG1 3.35Å; L437-T440 PolarHBondContact O-N 3.45Å; N438-T440 VanDerWaalsContact C-N 3.33Å; N438-T440 PolarHBondContact O-N 3.31Å; T440-M507 HydrophobicContact CG2-CB 4.17Å; T440-M507 HydrophobicContact CG2-SD 4.28Å |
| 441 | I | 91.6 | Very high | 89.7 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 11% | 0.113 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.7 | -44 | 177.7 | -66.5 | 158.3 | 0 | 0 | 0 | 111.2 | L437 N438 D439 N443 M444 M455 V459 M507 | L437-I441 HydrophobicContact CD1-CD1 3.94Å; L437-I441 HydrophobicContact CD1-CG1 4.27Å; L437-I441 HydrophobicContact CD2-CD1 4.43Å; L437-I441 HydrophobicContact CG-CD1 3.72Å; L437-I441 HydrophobicContact CG-CG1 4.48Å; L437-I441 WeakPolarHBondContact O-CD1 3.36Å; L437-I441 VanDerWaalsContact O-CG1 3.24Å; L437-I441 WeakPolarHBondContact O-CG1 3.26Å; L437-I441 PolarHBondContact O-N 2.93Å; N438-I441 PolarHBondContact O-N 2.92Å; D439-I441 VanDerWaalsContact C-N 3.33Å; D439-I441 PolarHBondContact O-N 3.45Å; I441-N443 PolarHBondContact O-N 3.44Å; I441-M444 WeakPolarHBondContact O-CB 3.33Å; I441-M444 WeakPolarHBondContact O-CG 3.32Å; I441-M444 PolarHBondContact O-N 3.12Å; I441-M444 VanDerWaalsContact O-N 3.09Å; I441-M455 HydrophobicContact CD1-CB 3.78Å; I441-M455 HydrophobicContact CD1-CG 4.38Å; I441-M455 HydrophobicContact CG1-CB 4.23Å; I441-M455 HydrophobicContact CG1-CG 4.44Å; I441-M455 HydrophobicContact CG1-SD 4.05Å; I441-M455 HydrophobicContact CG2-CB 4.48Å; I441-M455 HydrophobicContact CG2-SD 4.15Å; I441-V459 HydrophobicContact CD1-CG2 3.73Å; I441-M507 HydrophobicContact CG1-CE 4.24Å; I441-M507 HydrophobicContact CG1-SD 4.28Å |
| 442 | Q | 89.3 | Confident | 89.4 | Confident | 134 Ų | 134 | 68.7 Ų | 68.7 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.3 | -25.3 | -179.2 | -67 | -55.1 | -45.1 | 0 | 0 | 112.8 | N438 D439 M444 | N438-Q442 VanDerWaalsContact O-CG 3.31Å; N438-Q442 WeakPolarHBondContact O-CG 3.48Å; N438-Q442 PolarHBondContact O-N 3.21Å; D439-Q442 PolarHBondContact O-N 3.31Å; Q442-M444 VanDerWaalsContact C-N 3.26Å; Q442-M444 PolarHBondContact O-N 3.3Å |
| 443 | N | 86.8 | Confident | 89.2 | Confident | 102 Ų | 102 | 68.2 Ų | 68.2 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 1.8 | 177.2 | -69.9 | -40.2 | 0 | 0 | 0 | 113.8 | D439 I441 | D439-N443 PolarHBondContact O-N 2.97Å; D439-N443 PolarHBondContact O-ND2 2.64Å; D439-N443 PolarHBondContact OD2-ND2 2.92Å; I441-N443 PolarHBondContact O-N 3.44Å |
| 444 | M | 86.8 | Confident | 89 | Confident | 25 Ų | 25 | 69.5 Ų | 69.5 | 12% | 0.123 | 36% | 0.358 | C | S | . | . | trans | -82.5 | 133.5 | 176.6 | -61.4 | -176.8 | 179.5 | 0 | 0 | 112.1 | I441 Q442 M455 L499 Y504 M507 | I441-M444 WeakPolarHBondContact O-CB 3.33Å; I441-M444 WeakPolarHBondContact O-CG 3.32Å; I441-M444 PolarHBondContact O-N 3.12Å; I441-M444 VanDerWaalsContact O-N 3.09Å; Q442-M444 VanDerWaalsContact C-N 3.26Å; Q442-M444 PolarHBondContact O-N 3.3Å; M444-M455 HydrophobicContact CE-CE 4.18Å; M444-M455 HydrophobicContact SD-CE 3.98Å; M444-M455 HydrophobicContact SD-SD 4.1Å; M444-L499 HydrophobicContact SD-CD1 4.25Å; M444-L499 HydrophobicContact SD-CD2 4.41Å; M444-Y504 HydrophobicContact CB-CE1 4.19Å; M444-Y504 HydrophobicContact CG-CD1 4.07Å; M444-Y504 HydrophobicContact CG-CE1 3.96Å; M444-M507 HydrophobicContact CE-CB 3.76Å; M444-M507 HydrophobicContact CE-CG 3.66Å; M444-M507 HydrophobicContact CE-SD 3.7Å | ||
| 445 | Y | 77.1 | Confident | 88.7 | Confident | 212 Ų | 212 | 69.6 Ų | 69.6 | 83% | 0.831 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -80.7 | -25.8 | -174.9 | -61.1 | -80.9 | 0 | 0 | 0 | 114.4 | ||
| 446 | V | 78.6 | Confident | 88.5 | Confident | 91 Ų | 91 | 67.4 Ų | 67.4 | 55% | 0.552 | 35% | 0.352 | S | S | * | . | trans | -146.7 | 118.5 | -177.4 | 175.8 | 0 | 0 | 0 | 0 | 108 | L499 | V446-L499 WeakPolarHBondContact O-CD1 3.22Š| ||
| 447 | C | 79.7 | Confident | 88.5 | Confident | 46 Ų | 46 | 67 Ų | 67 | 31% | 0.311 | 36% | 0.355 | S | S | . | . | trans | -135 | 119.2 | 173.9 | -169.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 448 | P | 85.3 | Confident | 88.6 | Confident | 33 Ų | 33 | 67.1 Ų | 67.1 | 21% | 0.214 | 36% | 0.355 | C | S | . | . | trans | -70.9 | 163.6 | 176.1 | -6.7 | 21.7 | 0 | 0 | 0 | 112 | E450 E451 S452 P498 | P448-E450 PolarHBondContact O-N 3.38Å; P448-E451 WeakPolarHBondContact CB-OE2 3.46Å; P448-E451 WeakPolarHBondContact CG-OE2 3.39Å; P448-E451 PolarHBondContact O-N 2.99Å; P448-S452 VanDerWaalsContact O-CB 3.25Å; P448-S452 WeakPolarHBondContact O-CB 3.36Å; P448-S452 PolarHBondContact O-N 2.95Å; P448-P498 HydrophobicContact CG-CB 3.46Å; P448-P498 VanDerWaalsContact CG-CB 3.46Å; P448-P498 HydrophobicContact CG-CG 4.11Å | ||
| 449 | E | 84.4 | Confident | 88.7 | Confident | 167 Ų | 167 | 64.9 Ų | 64.9 | 78% | 0.78 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61 | -43.8 | -171 | -171.3 | 176.5 | -179.8 | 0 | 0 | 113 | S452 V453 | E449-S452 PolarHBondContact O-N 2.86Å; E449-V453 VanDerWaalsContact O-CG2 3.27Å; E449-V453 WeakPolarHBondContact O-CG2 3.32Å; E449-V453 PolarHBondContact O-N 3.34Å |
| 450 | E | 82.7 | Confident | 88.7 | Confident | 109 Ų | 109 | 64.4 Ų | 64.4 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | -178.3 | -66.8 | -171.8 | 180 | 0 | 0 | 112 | Y3 P448 V453 L454 | Y3-E450 WeakPolarHBondContact CD1-OE2 3.49Å; P448-E450 PolarHBondContact O-N 3.38Å; E450-V453 PolarHBondContact O-N 3.49Å; E450-L454 PolarHBondContact O-N 3.48Å |
| 451 | E | 88.4 | Confident | 88.9 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 175.6 | -65.5 | 88.7 | 156.7 | 0 | 0 | 111.6 | Y3 P448 V453 L454 M455 L488 T492 | Y3-E451 VanDerWaalsContact CE1-OE1 3.25Å; Y3-E451 WeakPolarHBondContact CE1-OE1 3.09Å; Y3-E451 PolarHBondContact OH-OE1 2.97Å; P448-E451 WeakPolarHBondContact CB-OE2 3.46Å; P448-E451 WeakPolarHBondContact CG-OE2 3.39Å; P448-E451 PolarHBondContact O-N 2.99Å; E451-V453 VanDerWaalsContact C-N 3.3Å; E451-V453 PolarHBondContact O-N 3.3Å; E451-L454 PolarHBondContact O-N 3.41Å; E451-M455 WeakPolarHBondContact O-CB 3.38Å; E451-M455 VanDerWaalsContact O-CG 3.27Å; E451-M455 WeakPolarHBondContact O-CG 3.46Å; E451-M455 PolarHBondContact O-N 2.89Å; E451-L488 HydrophobicContact CB-CD1 3.79Å; E451-L488 HydrophobicContact CG-CD1 3.52Å; E451-T492 HydrophobicContact CG-CG2 4.46Å |
| 452 | S | 89.2 | Confident | 89.2 | Confident | 47 Ų | 47 | 64.7 Ų | 64.7 | 33% | 0.329 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.8 | -37.4 | 178.2 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | P448 E449 S456 | P448-S452 VanDerWaalsContact O-CB 3.25Å; P448-S452 WeakPolarHBondContact O-CB 3.36Å; P448-S452 PolarHBondContact O-N 2.95Å; E449-S452 PolarHBondContact O-N 2.86Å; S452-S456 VanDerWaalsContact O-CB 3.29Å; S452-S456 WeakPolarHBondContact O-CB 3.4Å; S452-S456 PolarHBondContact O-N 3.27Å; S452-S456 PolarHBondContact O-OG 2.99Å |
| 453 | V | 91.4 | Very high | 89.5 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 55% | 0.552 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65 | -45.9 | 176.3 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | E449 E450 E451 S456 S457 | E449-V453 VanDerWaalsContact O-CG2 3.27Å; E449-V453 WeakPolarHBondContact O-CG2 3.32Å; E449-V453 PolarHBondContact O-N 3.34Å; E450-V453 PolarHBondContact O-N 3.49Å; E451-V453 VanDerWaalsContact C-N 3.3Å; E451-V453 PolarHBondContact O-N 3.3Å; V453-S456 PolarHBondContact O-N 3.02Å; V453-S457 WeakPolarHBondContact O-CB 3.21Å; V453-S457 PolarHBondContact O-N 3.27Å |
| 454 | L | 90.8 | Very high | 89.9 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 14% | 0.141 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 177.2 | -66.2 | 179.4 | 0 | 0 | 0 | 111.6 | E450 E451 S456 S457 F458 D484 L488 Y491 | E450-L454 PolarHBondContact O-N 3.48Å; E451-L454 PolarHBondContact O-N 3.41Å; L454-S456 VanDerWaalsContact C-N 3.35Å; L454-S456 PolarHBondContact O-N 3.45Å; L454-S457 WeakPolarHBondContact O-CB 3.25Å; L454-S457 PolarHBondContact O-N 2.97Å; L454-S457 VanDerWaalsContact O-N 3.16Å; L454-F458 HydrophobicContact CB-CZ 4.24Å; L454-F458 WeakPolarHBondContact O-CD1 3.33Å; L454-F458 VanDerWaalsContact O-CG 3.29Å; L454-F458 WeakPolarHBondContact O-CG 3.49Å; L454-F458 PolarHBondContact O-N 3.34Å; L454-D484 HydrophobicContact CD2-CB 4.13Å; L454-L488 HydrophobicContact CD1-CB 4.41Å; L454-Y491 HydrophobicContact CD1-CD2 4.48Å; L454-Y491 HydrophobicContact CD1-CE2 4.19Å |
| 455 | M | 92 | Very high | 90.4 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.015 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 178.6 | -71.7 | -178.3 | -175.2 | 0 | 0 | 112.5 | I441 M444 E451 S457 F458 V459 L488 L499 M507 | I441-M455 HydrophobicContact CD1-CB 3.78Å; I441-M455 HydrophobicContact CD1-CG 4.38Å; I441-M455 HydrophobicContact CG1-CB 4.23Å; I441-M455 HydrophobicContact CG1-CG 4.44Å; I441-M455 HydrophobicContact CG1-SD 4.05Å; I441-M455 HydrophobicContact CG2-CB 4.48Å; I441-M455 HydrophobicContact CG2-SD 4.15Å; M444-M455 HydrophobicContact CE-CE 4.18Å; M444-M455 HydrophobicContact SD-CE 3.98Å; M444-M455 HydrophobicContact SD-SD 4.1Å; E451-M455 WeakPolarHBondContact O-CB 3.38Å; E451-M455 VanDerWaalsContact O-CG 3.27Å; E451-M455 WeakPolarHBondContact O-CG 3.46Å; E451-M455 PolarHBondContact O-N 2.89Å; M455-S457 VanDerWaalsContact C-N 3.33Å; M455-F458 WeakPolarHBondContact O-CB 3.47Å; M455-F458 PolarHBondContact O-N 2.8Å; M455-V459 PolarHBondContact O-N 2.74Å; M455-L488 HydrophobicContact CE-CD1 4.35Å; M455-L488 HydrophobicContact CE-CD2 3.94Å; M455-L488 HydrophobicContact CG-CD2 4.02Å; M455-L499 HydrophobicContact CE-CD2 3.35Å; M455-M507 HydrophobicContact CE-CE 4.01Å; M455-M507 HydrophobicContact CG-CE 3.95Å; M455-M507 HydrophobicContact SD-CE 4.19Å |
| 456 | S | 92.1 | Very high | 91.3 | Very high | 67 Ų | 67 | 51.8 Ų | 51.8 | 47% | 0.469 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 176.3 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | S452 V453 L454 F458 V459 S460 | S452-S456 VanDerWaalsContact O-CB 3.29Å; S452-S456 WeakPolarHBondContact O-CB 3.4Å; S452-S456 PolarHBondContact O-N 3.27Å; S452-S456 PolarHBondContact O-OG 2.99Å; V453-S456 PolarHBondContact O-N 3.02Å; L454-S456 VanDerWaalsContact C-N 3.35Å; L454-S456 PolarHBondContact O-N 3.45Å; S456-F458 VanDerWaalsContact C-N 3.34Å; S456-V459 PolarHBondContact O-N 3.41Å; S456-S460 WeakPolarHBondContact O-CB 3.42Å; S456-S460 PolarHBondContact O-N 3.1Å |
| 457 | S | 95.8 | Very high | 92.1 | Very high | 50 Ų | 50 | 49.3 Ų | 49.3 | 35% | 0.35 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 174.5 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | V453 L454 M455 S460 T461 | V453-S457 WeakPolarHBondContact O-CB 3.21Å; V453-S457 PolarHBondContact O-N 3.27Å; L454-S457 WeakPolarHBondContact O-CB 3.25Å; L454-S457 PolarHBondContact O-N 2.97Å; L454-S457 VanDerWaalsContact O-N 3.16Å; M455-S457 VanDerWaalsContact C-N 3.33Å; S457-S460 PolarHBondContact O-N 3.43Å; S457-T461 VanDerWaalsContact O-CB 3.28Å; S457-T461 WeakPolarHBondContact O-CB 3.4Å; S457-T461 PolarHBondContact O-N 3.17Å; S457-T461 PolarHBondContact O-OG1 3.01Å |
| 458 | F | 96.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.1 | -55.1 | 174.6 | -57 | -26.8 | 0 | 0 | 0 | 111.1 | L437 L454 M455 S456 S460 T461 L462 L481 D484 W485 L488 M511 | L437-F458 HydrophobicContact CD2-CB 3.76Å; L454-F458 HydrophobicContact CB-CZ 4.24Å; L454-F458 WeakPolarHBondContact O-CD1 3.33Å; L454-F458 VanDerWaalsContact O-CG 3.29Å; L454-F458 WeakPolarHBondContact O-CG 3.49Å; L454-F458 PolarHBondContact O-N 3.34Å; M455-F458 WeakPolarHBondContact O-CB 3.47Å; M455-F458 PolarHBondContact O-N 2.8Å; S456-F458 VanDerWaalsContact C-N 3.34Å; F458-S460 VanDerWaalsContact C-N 3.31Å; F458-S460 PolarHBondContact O-N 3.35Å; F458-T461 PolarHBondContact O-N 3.14Å; F458-L462 WeakPolarHBondContact O-CB 3.43Å; F458-L462 VanDerWaalsContact O-CG 3.25Å; F458-L462 WeakPolarHBondContact O-CG 3.42Å; F458-L462 PolarHBondContact O-N 2.64Å; F458-L481 HydrophobicContact CD1-CD1 4.3Å; F458-L481 HydrophobicContact CD1-CG 3.82Å; F458-L481 HydrophobicContact CE1-CG 4.2Å; F458-D484 HydrophobicContact CE1-CB 3.57Å; F458-D484 HydrophobicContact CZ-CB 3.84Å; F458-W485 HydrophobicContact CZ-CB 4.46Å; F458-L488 HydrophobicContact CE2-CD2 3.95Å; F458-M511 HydrophobicContact CD2-CE 3.61Å; F458-M511 HydrophobicContact CD2-SD 3.97Å; F458-M511 HydrophobicContact CE2-CE 3.7Å; F458-M511 HydrophobicContact CE2-SD 4.44Å; F458-M511 HydrophobicContact CG-CE 4.18Å; F458-M511 HydrophobicContact CZ-CE 4.32Å |
| 459 | V | 96.1 | Very high | 93.2 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.9 | -43.8 | -179 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | L437 N438 I441 M455 S456 L462 S463 | L437-V459 HydrophobicContact CB-CG2 4.44Å; L437-V459 HydrophobicContact CD2-CG2 3.91Å; L437-V459 HydrophobicContact CG-CG2 3.95Å; N438-V459 HydrophobicContact CB-CG1 3.96Å; N438-V459 HydrophobicContact CB-CG2 4.08Å; I441-V459 HydrophobicContact CD1-CG2 3.73Å; M455-V459 PolarHBondContact O-N 2.74Å; S456-V459 PolarHBondContact O-N 3.41Å; V459-L462 PolarHBondContact O-N 2.79Å; V459-S463 WeakPolarHBondContact O-CB 3.16Å; V459-S463 PolarHBondContact O-N 3.45Å; V459-S463 PolarHBondContact O-OG 2.85Å |
| 460 | S | 96.2 | Very high | 93.7 | Very high | 81 Ų | 81 | 47 Ų | 47 | 57% | 0.566 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.4 | -48.3 | 178.1 | -177 | 0 | 0 | 0 | 0 | 111.9 | S456 S457 F458 L462 S463 A464 | S456-S460 WeakPolarHBondContact O-CB 3.42Å; S456-S460 PolarHBondContact O-N 3.1Å; S457-S460 PolarHBondContact O-N 3.43Å; F458-S460 VanDerWaalsContact C-N 3.31Å; F458-S460 PolarHBondContact O-N 3.35Å; S460-L462 PolarHBondContact O-N 3.46Å; S460-S463 PolarHBondContact O-N 3.21Å; S460-A464 WeakPolarHBondContact O-CB 3.4Å; S460-A464 PolarHBondContact O-N 2.91Å |
| 461 | T | 96.6 | Very high | 94.2 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 32% | 0.319 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | -180 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | S457 F458 F478 L481 | S457-T461 VanDerWaalsContact O-CB 3.28Å; S457-T461 WeakPolarHBondContact O-CB 3.4Å; S457-T461 PolarHBondContact O-N 3.17Å; S457-T461 PolarHBondContact O-OG1 3.01Å; F458-T461 PolarHBondContact O-N 3.14Å; T461-F478 HydrophobicContact CG2-CD1 4.46Å; T461-F478 HydrophobicContact CG2-CE1 4.21Å; T461-L481 HydrophobicContact CG2-CD1 4.15Å |
| 462 | L | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.2 | -41.7 | -179.7 | -62.6 | -177 | 0 | 0 | 0 | 112.2 | L429 A430 A434 L437 F458 V459 S460 A464 L465 L481 I514 T518 | L429-L462 HydrophobicContact CB-CD2 4.27Å; L429-L462 HydrophobicContact CD2-CD1 4.49Å; L429-L462 HydrophobicContact CD2-CD2 3.8Å; L429-L462 HydrophobicContact CG-CD2 4.45Å; A430-L462 WeakPolarHBondContact CA-O 3.42Å; A434-L462 HydrophobicContact CB-CB 3.81Å; L437-L462 HydrophobicContact CD2-CD1 4.31Å; F458-L462 WeakPolarHBondContact O-CB 3.43Å; F458-L462 VanDerWaalsContact O-CG 3.25Å; F458-L462 WeakPolarHBondContact O-CG 3.42Å; F458-L462 PolarHBondContact O-N 2.64Å; V459-L462 PolarHBondContact O-N 2.79Å; S460-L462 PolarHBondContact O-N 3.46Å; L462-A464 VanDerWaalsContact C-N 3.26Å; L462-A464 PolarHBondContact O-N 3.22Å; L462-L465 HydrophobicContact CD2-CD1 4.26Å; L462-L465 WeakPolarHBondContact O-CB 3.45Å; L462-L465 WeakPolarHBondContact O-CG 3.35Å; L462-L465 PolarHBondContact O-N 2.91Å; L462-L481 HydrophobicContact CD2-CD1 4Å; L462-L481 HydrophobicContact CG-CD1 4.4Å; L462-I514 HydrophobicContact CD1-CD1 3.88Å; L462-I514 HydrophobicContact CD1-CG1 4.3Å; L462-I514 HydrophobicContact CD1-CG2 3.87Å; L462-I514 HydrophobicContact CD2-CG2 4.47Å; L462-T518 HydrophobicContact CD2-CG2 4.4Å |
| 463 | S | 96.1 | Very high | 94.6 | Very high | 63 Ų | 63 | 57.5 Ų | 57.5 | 44% | 0.441 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.2 | -25.1 | -179.9 | -57 | 0 | 0 | 0 | 0 | 113.1 | V459 S460 L465 | V459-S463 WeakPolarHBondContact O-CB 3.16Å; V459-S463 PolarHBondContact O-N 3.45Å; V459-S463 PolarHBondContact O-OG 2.85Å; S460-S463 PolarHBondContact O-N 3.21Å; S463-L465 PolarHBondContact O-N 2.88Å |
| 464 | A | 95.6 | Very high | 94.8 | Very high | 72 Ų | 72 | 57 Ų | 57 | 60% | 0.595 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -14.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S460 L462 | S460-A464 WeakPolarHBondContact O-CB 3.4Å; S460-A464 PolarHBondContact O-N 2.91Å; L462-A464 VanDerWaalsContact C-N 3.26Å; L462-A464 PolarHBondContact O-N 3.22Å |
| 465 | L | 96.9 | Very high | 94.9 | Very high | 18 Ų | 18 | 65.1 Ų | 65.1 | 9% | 0.094 | 36% | 0.358 | C | S | . | . | trans | -69.7 | 141.8 | -177.5 | -61.9 | 173.9 | 0 | 0 | 0 | 111.7 | V426 L429 A430 L462 S463 Q469 F476 F478 | V426-L465 HydrophobicContact CG1-CB 4.17Å; L429-L465 HydrophobicContact CB-CD1 3.86Å; L429-L465 HydrophobicContact CD1-CD1 4.01Å; A430-L465 HydrophobicContact CB-CB 4.12Å; A430-L465 WeakPolarHBondContact CB-O 3.18Å; L462-L465 HydrophobicContact CD2-CD1 4.26Å; L462-L465 WeakPolarHBondContact O-CB 3.45Å; L462-L465 WeakPolarHBondContact O-CG 3.35Å; L462-L465 PolarHBondContact O-N 2.91Å; S463-L465 PolarHBondContact O-N 2.88Å; L465-Q469 VanDerWaalsContact CA-OE1 3.32Å; L465-F476 HydrophobicContact CD2-CD1 4.21Å; L465-F476 HydrophobicContact CD2-CE1 4.09Å; L465-F478 HydrophobicContact CD1-CE1 4.14Å; L465-F478 HydrophobicContact CD1-CZ 3.78Å; L465-F478 HydrophobicContact CD2-CE1 4.1Å; L465-F478 HydrophobicContact CD2-CZ 3.69Å; L465-F478 HydrophobicContact CG-CZ 4.36Å | ||
| 466 | S | 95.3 | Very high | 95.1 | Very high | 48 Ų | 48 | 66.4 Ų | 66.4 | 34% | 0.336 | 36% | 0.364 | S | S | . | . | trans | -147.3 | 154.3 | 174.1 | 76.7 | 0 | 0 | 0 | 0 | 112.8 | K468 Q469 | S466-K468 PolarHBondContact O-N 3.44Å; S466-K468 VanDerWaalsContact O-N 3.11Å; S466-Q469 WeakPolarHBondContact O-CB 3.24Å; S466-Q469 PolarHBondContact O-N 3.05Å | ||
| 467 | I | 95.1 | Very high | 95.3 | Very high | 39 Ų | 39 | 67.5 Ų | 67.5 | 20% | 0.2 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -54.8 | -31.8 | 176.6 | -61.2 | 171.2 | 0 | 0 | 0 | 112.2 | R423 Q427 Q469 V470 D471 | R423-I467 HydrophobicContact CG-CG2 4.26Å; Q427-I467 HydrophobicContact CG-CD1 3.51Å; Q427-I467 HydrophobicContact CG-CG1 3.39Å; Q427-I467 VanDerWaalsContact NE2-CD1 3.28Å; I467-Q469 PolarHBondContact O-N 3.18Å; I467-V470 WeakPolarHBondContact O-CB 3.48Å; I467-V470 PolarHBondContact O-N 3.14Å; I467-D471 PolarHBondContact O-N 3.44Å |
| 468 | K | 94.6 | Very high | 95.4 | Very high | 155 Ų | 155 | 65.5 Ų | 65.5 | 67% | 0.674 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -57.3 | -33.8 | 179.6 | -69.6 | -176.6 | 176.9 | 179.3 | 0 | 112.1 | S466 V470 D471 N472 | S466-K468 PolarHBondContact O-N 3.44Å; S466-K468 VanDerWaalsContact O-N 3.11Å; K468-V470 VanDerWaalsContact C-N 3.34Å; K468-D471 PolarHBondContact O-N 2.5Å; K468-N472 VanDerWaalsContact O-CB 3.25Å; K468-N472 WeakPolarHBondContact O-CB 3.3Å; K468-N472 PolarHBondContact O-N 3.06Å; K468-N472 PolarHBondContact O-ND2 3.24Å; K468-N472 PolarHBondContact O-OD1 2.65Å |
| 469 | Q | 95 | Very high | 95.4 | Very high | 41 Ų | 41 | 73 Ų | 73 | 19% | 0.192 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 179.3 | -56.5 | -178.5 | -82.1 | 0 | 0 | 111.3 | L465 S466 I467 N472 K473 E474 F476 | L465-Q469 VanDerWaalsContact CA-OE1 3.32Å; S466-Q469 WeakPolarHBondContact O-CB 3.24Å; S466-Q469 PolarHBondContact O-N 3.05Å; I467-Q469 PolarHBondContact O-N 3.18Å; Q469-N472 PolarHBondContact O-N 3.49Å; Q469-K473 PolarHBondContact O-N 2.75Å; Q469-K473 VanDerWaalsContact O-N 3.15Å; Q469-E474 HydrophobicContact CB-CB 4.21Å; Q469-E474 HydrophobicContact CB-CG 4.33Å; Q469-E474 WeakPolarHBondContact CB-OE2 3.42Å; Q469-E474 WeakPolarHBondContact CG-OE2 3.36Å; Q469-E474 PolarHBondContact NE2-OE2 3.11Å; Q469-E474 WeakPolarHBondContact O-CB 3.5Å; Q469-E474 PolarHBondContact O-N 3.38Å; Q469-F476 HydrophobicContact CB-CE1 3.91Å; Q469-F476 HydrophobicContact CB-CZ 3.6Å |
| 470 | V | 93.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 74.1 Ų | 74.1 | 2% | 0.018 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.7 | -45.6 | 174.7 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | Q422 R423 V426 I467 K468 N472 K473 F476 | Q422-V470 HydrophobicContact CB-CG1 4.16Å; R423-V470 HydrophobicContact CB-CG1 4.14Å; V426-V470 HydrophobicContact CB-CG2 4.06Å; V426-V470 HydrophobicContact CG1-CG2 4.23Å; V426-V470 HydrophobicContact CG2-CG2 3.72Å; I467-V470 WeakPolarHBondContact O-CB 3.48Å; I467-V470 PolarHBondContact O-N 3.14Å; K468-V470 VanDerWaalsContact C-N 3.34Å; V470-N472 PolarHBondContact O-N 3.12Å; V470-K473 PolarHBondContact O-N 3.47Å; V470-F476 HydrophobicContact CG2-CE2 3.99Å; V470-F476 HydrophobicContact CG2-CZ 3.74Å |
| 471 | D | 93 | Very high | 95.4 | Very high | 83 Ų | 83 | 71 Ų | 71 | 44% | 0.444 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.7 | -33.1 | 178.3 | -67.5 | -18.6 | 0 | 0 | 0 | 111.5 | H419 R423 I467 K468 K473 | H419-D471 IonicContact NE2-OD1 2.72Å; R423-D471 VanDerWaalsContact NH1-CG 3.33Å; R423-D471 IonicContact NH1-OD1 2.98Å; R423-D471 PolarHBondContact NH1-OD1 2.99Å; R423-D471 IonicContact NH1-OD2 2.67Å; R423-D471 PolarHBondContact NH1-OD2 3.39Å; R423-D471 VanDerWaalsContact NH1-OD2 3.15Å; I467-D471 PolarHBondContact O-N 3.44Å; K468-D471 PolarHBondContact O-N 2.5Å; D471-K473 VanDerWaalsContact C-N 3.3Å |
| 472 | N | 94.6 | Very high | 95.4 | Very high | 111 Ų | 111 | 69.6 Ų | 69.6 | 59% | 0.594 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -6.4 | 173.8 | -69.5 | -15.8 | 0 | 0 | 0 | 114 | K468 Q469 V470 E474 | K468-N472 VanDerWaalsContact O-CB 3.25Å; K468-N472 WeakPolarHBondContact O-CB 3.3Å; K468-N472 PolarHBondContact O-N 3.06Å; K468-N472 PolarHBondContact O-ND2 3.24Å; K468-N472 PolarHBondContact O-OD1 2.65Å; Q469-N472 PolarHBondContact O-N 3.49Å; V470-N472 PolarHBondContact O-N 3.12Å; N472-E474 VanDerWaalsContact C-N 3.29Å; N472-E474 HydrophobicContact CB-CG 4.08Å; N472-E474 PolarHBondContact ND2-OE1 2.93Å; N472-E474 PolarHBondContact O-N 3.42Å |
| 473 | K | 92.3 | Very high | 95.4 | Very high | 182 Ų | 182 | 72.1 Ų | 72.1 | 79% | 0.791 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 41 | -173.1 | -55 | 179.9 | 178.5 | -178.8 | 0 | 113.2 | Q469 V470 D471 | Q469-K473 PolarHBondContact O-N 2.75Å; Q469-K473 VanDerWaalsContact O-N 3.15Å; V470-K473 PolarHBondContact O-N 3.47Å; D471-K473 VanDerWaalsContact C-N 3.3Å |
| 474 | E | 94.3 | Very high | 95.4 | Very high | 81 Ų | 81 | 70.6 Ų | 70.6 | 38% | 0.379 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 142.7 | 171.5 | -69.1 | 173.6 | -151.8 | 0 | 0 | 110.2 | Q469 N472 F476 | Q469-E474 HydrophobicContact CB-CB 4.21Å; Q469-E474 HydrophobicContact CB-CG 4.33Å; Q469-E474 WeakPolarHBondContact CB-OE2 3.42Å; Q469-E474 WeakPolarHBondContact CG-OE2 3.36Å; Q469-E474 PolarHBondContact NE2-OE2 3.11Å; Q469-E474 WeakPolarHBondContact O-CB 3.5Å; Q469-E474 PolarHBondContact O-N 3.38Å; N472-E474 VanDerWaalsContact C-N 3.29Å; N472-E474 HydrophobicContact CB-CG 4.08Å; N472-E474 PolarHBondContact ND2-OE1 2.93Å; N472-E474 PolarHBondContact O-N 3.42Å; E474-F476 WeakPolarHBondContact O-CD2 3Å; E474-F476 WeakPolarHBondContact O-CE2 3.32Å |
| 475 | E | 93.2 | Very high | 95.5 | Very high | 197 Ų | 197 | 67.2 Ų | 67.2 | 92% | 0.921 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 122.2 | 171.9 | -71 | -174.9 | 170.7 | 0 | 0 | 109.5 | ||
| 476 | F | 96.2 | Very high | 95.5 | Very high | 30 Ų | 30 | 66.7 Ų | 66.7 | 13% | 0.132 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -92.3 | 143 | 174.5 | -61.1 | -89.1 | 0 | 0 | 0 | 109.8 | V426 L465 Q469 V470 E474 F478 V521 D522 | V426-F476 HydrophobicContact CG2-CE1 4.15Å; V426-F476 HydrophobicContact CG2-CZ 4.07Å; L465-F476 HydrophobicContact CD2-CD1 4.21Å; L465-F476 HydrophobicContact CD2-CE1 4.09Å; Q469-F476 HydrophobicContact CB-CE1 3.91Å; Q469-F476 HydrophobicContact CB-CZ 3.6Å; V470-F476 HydrophobicContact CG2-CE2 3.99Å; V470-F476 HydrophobicContact CG2-CZ 3.74Å; E474-F476 WeakPolarHBondContact O-CD2 3Å; E474-F476 WeakPolarHBondContact O-CE2 3.32Å; F476-F478 HydrophobicContact CB-CD2 4.39Å; F476-F478 HydrophobicContact CB-CE2 3.84Å; F476-F478 HydrophobicContact CB-CZ 4.47Å; F476-F478 HydrophobicContact CD1-CE2 4.17Å; F476-F478 HydrophobicContact CD1-CZ 4.11Å; F476-F478 HydrophobicContact CG-CE2 4.32Å; F476-V521 HydrophobicContact CB-CG1 3.94Å; F476-V521 HydrophobicContact CD1-CG1 3.99Å; F476-V521 HydrophobicContact CD2-CG1 3.67Å; F476-V521 HydrophobicContact CE1-CG1 4.42Å; F476-V521 HydrophobicContact CE2-CG1 4.14Å; F476-V521 HydrophobicContact CG-CG1 3.59Å; F476-V521 HydrophobicContact CZ-CG1 4.48Å; F476-D522 HydrophobicContact CB-CB 3.99Å; F476-D522 WeakPolarHBondContact O-CB 3.3Å |
| 477 | D | 96.3 | Very high | 95.5 | Very high | 90 Ų | 90 | 67.5 Ų | 67.5 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | trans | -139.5 | 107.5 | 172.7 | -175.1 | -3.7 | 0 | 0 | 0 | 110 | R479 | D477-R479 VanDerWaalsContact OD1-CB 3.26Å; D477-R479 WeakPolarHBondContact OD1-CB 3.5Å; D477-R479 VanDerWaalsContact OD1-CG 3.27Å; D477-R479 WeakPolarHBondContact OD1-CG 3.49Å; D477-R479 IonicContact OD1-CZ 3.34Å; D477-R479 PolarHBondContact OD1-N 2.79Å; D477-R479 IonicContact OD1-NE 2.73Å; D477-R479 PolarHBondContact OD1-NE 3.16Å; D477-R479 IonicContact OD1-NH2 3.01Å; D477-R479 IonicContact OD2-CZ 3.56Å; D477-R479 IonicContact OD2-NE 2.72Å; D477-R479 PolarHBondContact OD2-NE 3.07Å; D477-R479 IonicContact OD2-NH2 3.37Å; D477-R479 PolarHBondContact OD2-NH2 2.83Å | ||
| 478 | F | 97.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.035 | 31% | 0.313 | C | S | . | . | trans | -108.6 | 13.4 | 177.9 | -61.4 | -69.6 | 0 | 0 | 0 | 112.5 | T461 L465 F476 G480 L481 R482 T518 V521 D522 | T461-F478 HydrophobicContact CG2-CD1 4.46Å; T461-F478 HydrophobicContact CG2-CE1 4.21Å; L465-F478 HydrophobicContact CD1-CE1 4.14Å; L465-F478 HydrophobicContact CD1-CZ 3.78Å; L465-F478 HydrophobicContact CD2-CE1 4.1Å; L465-F478 HydrophobicContact CD2-CZ 3.69Å; L465-F478 HydrophobicContact CG-CZ 4.36Å; F476-F478 HydrophobicContact CB-CD2 4.39Å; F476-F478 HydrophobicContact CB-CE2 3.84Å; F476-F478 HydrophobicContact CB-CZ 4.47Å; F476-F478 HydrophobicContact CD1-CE2 4.17Å; F476-F478 HydrophobicContact CD1-CZ 4.11Å; F476-F478 HydrophobicContact CG-CE2 4.32Å; F478-G480 VanDerWaalsContact C-N 3.26Å; F478-G480 PolarHBondContact O-N 3.12Å; F478-L481 HydrophobicContact CD1-CD1 4.42Å; F478-L481 PolarHBondContact O-N 3.4Å; F478-R482 WeakPolarHBondContact O-CG 3.49Å; F478-R482 PolarHBondContact O-N 3.42Å; F478-T518 HydrophobicContact CB-CG2 4.26Å; F478-T518 HydrophobicContact CD1-CG2 4.27Å; F478-T518 HydrophobicContact CD2-CG2 4.33Å; F478-T518 HydrophobicContact CG-CG2 4.04Å; F478-V521 HydrophobicContact CD2-CB 4.48Å; F478-V521 HydrophobicContact CE2-CB 3.91Å; F478-V521 HydrophobicContact CE2-CG1 3.8Å; F478-D522 HydrophobicContact CD2-CB 3.94Å; F478-D522 PolarHBondContact N-OD2 3.5Å | ||
| 479 | R | 96.5 | Very high | 95.5 | Very high | 161 Ų | 161 | 58.3 Ų | 58.3 | 61% | 0.608 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -58.7 | -40.4 | 177 | -65.6 | 176 | -65.8 | 179.1 | -1.4 | 111.4 | D477 R482 M483 | D477-R479 VanDerWaalsContact OD1-CB 3.26Å; D477-R479 WeakPolarHBondContact OD1-CB 3.5Å; D477-R479 VanDerWaalsContact OD1-CG 3.27Å; D477-R479 WeakPolarHBondContact OD1-CG 3.49Å; D477-R479 IonicContact OD1-CZ 3.34Å; D477-R479 PolarHBondContact OD1-N 2.79Å; D477-R479 IonicContact OD1-NE 2.73Å; D477-R479 PolarHBondContact OD1-NE 3.16Å; D477-R479 IonicContact OD1-NH2 3.01Å; D477-R479 IonicContact OD2-CZ 3.56Å; D477-R479 IonicContact OD2-NE 2.72Å; D477-R479 PolarHBondContact OD2-NE 3.07Å; D477-R479 IonicContact OD2-NH2 3.37Å; D477-R479 PolarHBondContact OD2-NH2 2.83Å; R479-R482 PolarHBondContact O-N 3.46Å; R479-M483 WeakPolarHBondContact O-CB 3.44Å; R479-M483 WeakPolarHBondContact O-CG 3.12Å; R479-M483 PolarHBondContact O-N 3.33Å |
| 480 | G | 96.2 | Very high | 95.5 | Very high | 42 Ų | 42 | 56.5 Ų | 56.5 | 43% | 0.433 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.8 | -52.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F478 R482 M483 D484 | F478-G480 VanDerWaalsContact C-N 3.26Å; F478-G480 PolarHBondContact O-N 3.12Å; G480-R482 PolarHBondContact O-N 2.88Å; G480-M483 PolarHBondContact O-N 3.36Å; G480-D484 WeakPolarHBondContact O-CB 3.23Å; G480-D484 PolarHBondContact O-N 2.91Å |
| 481 | L | 97 | Very high | 95.4 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 178.8 | -175.3 | 155.1 | 0 | 0 | 0 | 111.9 | F458 T461 L462 F478 D484 W485 I514 T518 | F458-L481 HydrophobicContact CD1-CD1 4.3Å; F458-L481 HydrophobicContact CD1-CG 3.82Å; F458-L481 HydrophobicContact CE1-CG 4.2Å; T461-L481 HydrophobicContact CG2-CD1 4.15Å; L462-L481 HydrophobicContact CD2-CD1 4Å; L462-L481 HydrophobicContact CG-CD1 4.4Å; F478-L481 HydrophobicContact CD1-CD1 4.42Å; F478-L481 PolarHBondContact O-N 3.4Å; L481-D484 PolarHBondContact O-N 3.49Å; L481-W485 PolarHBondContact O-N 3.4Å; L481-I514 HydrophobicContact CD2-CG2 4.48Å; L481-T518 HydrophobicContact CD2-CG2 4.31Å |
| 482 | R | 97.3 | Very high | 95.4 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 177.7 | -68.9 | -168.1 | -72.5 | -86.4 | -1.4 | 112.4 | F478 R479 G480 W485 L486 Q515 T518 D522 S523 | F478-R482 WeakPolarHBondContact O-CG 3.49Å; F478-R482 PolarHBondContact O-N 3.42Å; R479-R482 PolarHBondContact O-N 3.46Å; G480-R482 PolarHBondContact O-N 2.88Å; R482-W485 PolarHBondContact O-N 3.31Å; R482-L486 PolarHBondContact O-N 2.8Å; R482-L486 VanDerWaalsContact O-N 3.09Å; R482-Q515 HydrophobicContact CG-CG 4.07Å; R482-T518 PolarHBondContact NH1-OG1 2.92Å; R482-D522 IonicContact CZ-OD1 3.84Å; R482-D522 IonicContact CZ-OD2 3.7Å; R482-D522 IonicContact NH1-OD1 2.93Å; R482-D522 PolarHBondContact NH1-OD1 3.25Å; R482-D522 IonicContact NH1-OD2 3.85Å; R482-D522 PolarHBondContact NH1-OD2 3Å; R482-D522 IonicContact NH2-OD1 3.88Å; R482-D522 PolarHBondContact NH2-OD1 3.47Å; R482-D522 IonicContact NH2-OD2 2.67Å; R482-D522 PolarHBondContact NH2-OD2 3.12Å; R482-S523 PolarHBondContact NH2-OG 3.23Å |
| 483 | M | 97.1 | Very high | 95.4 | Very high | 53 Ų | 53 | 49.2 Ų | 49.2 | 26% | 0.261 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67 | -37.9 | 175.1 | -74.7 | -55.6 | -58.5 | 0 | 0 | 112.2 | T12 R479 G480 W485 L486 R487 | T12-M483 HydrophobicContact CG2-CE 4.45Å; T12-M483 HydrophobicContact CG2-SD 4.45Å; R479-M483 WeakPolarHBondContact O-CB 3.44Å; R479-M483 WeakPolarHBondContact O-CG 3.12Å; R479-M483 PolarHBondContact O-N 3.33Å; G480-M483 PolarHBondContact O-N 3.36Å; M483-W485 VanDerWaalsContact C-N 3.34Å; M483-L486 HydrophobicContact CE-CD2 4.24Å; M483-L486 PolarHBondContact O-N 3.37Å; M483-L486 HydrophobicContact SD-CD2 4.45Å; M483-R487 WeakPolarHBondContact O-CG 3.13Å; M483-R487 PolarHBondContact O-N 2.98Å |
| 484 | D | 96.4 | Very high | 95.4 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 17% | 0.166 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67 | -35.2 | 175.1 | -75.2 | -17.8 | 0 | 0 | 0 | 112.1 | L454 F458 G480 L481 R487 L488 | L454-D484 HydrophobicContact CD2-CB 4.13Å; F458-D484 HydrophobicContact CE1-CB 3.57Å; F458-D484 HydrophobicContact CZ-CB 3.84Å; G480-D484 WeakPolarHBondContact O-CB 3.23Å; G480-D484 PolarHBondContact O-N 2.91Å; L481-D484 PolarHBondContact O-N 3.49Å; D484-R487 WeakPolarHBondContact O-CB 3.47Å; D484-R487 PolarHBondContact O-N 3.06Å; D484-R487 IonicContact OD1-CZ 2.82Å; D484-R487 IonicContact OD1-NH1 3.76Å; D484-R487 PolarHBondContact OD1-NH1 3.46Å; D484-L488 WeakPolarHBondContact O-CB 3.46Å; D484-L488 PolarHBondContact O-N 3.12Å |
| 485 | W | 96.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 170.2 | 176.2 | -136.4 | 0 | 0 | 0 | 111.6 | F458 L481 R482 M483 R487 L488 Q489 L501 M511 N512 | F458-W485 HydrophobicContact CZ-CB 4.46Å; L481-W485 PolarHBondContact O-N 3.4Å; R482-W485 PolarHBondContact O-N 3.31Å; M483-W485 VanDerWaalsContact C-N 3.34Å; W485-R487 VanDerWaalsContact C-N 3.34Å; W485-R487 PolarHBondContact O-N 3.47Å; W485-L488 HydrophobicContact CE3-CB 4.07Å; W485-L488 HydrophobicContact CE3-CD2 3.99Å; W485-L488 HydrophobicContact CE3-CG 4.32Å; W485-L488 HydrophobicContact CZ3-CB 4.34Å; W485-L488 HydrophobicContact CZ3-CD2 3.9Å; W485-L488 HydrophobicContact CZ3-CG 4.16Å; W485-L488 PolarHBondContact O-N 2.9Å; W485-Q489 HydrophobicContact CD2-CG 4Å; W485-Q489 HydrophobicContact CE3-CG 4.17Å; W485-Q489 HydrophobicContact CH2-CG 3.79Å; W485-Q489 HydrophobicContact CZ2-CG 3.62Å; W485-Q489 HydrophobicContact CZ3-CG 4.06Å; W485-Q489 WeakPolarHBondContact O-CG 2.93Å; W485-Q489 PolarHBondContact O-N 3.18Å; W485-L501 HydrophobicContact CH2-CD1 4.15Å; W485-L501 HydrophobicContact CH2-CD2 4.19Å; W485-M511 HydrophobicContact CB-CE 3.97Å; W485-M511 HydrophobicContact CD2-CB 3.74Å; W485-M511 HydrophobicContact CD2-CE 3.93Å; W485-M511 HydrophobicContact CD2-CG 4.19Å; W485-M511 VanDerWaalsContact CE2-CB 3.44Å; W485-M511 HydrophobicContact CE3-CB 4.02Å; W485-M511 HydrophobicContact CE3-CE 4.07Å; W485-M511 HydrophobicContact CE3-CG 4.01Å; W485-M511 HydrophobicContact CG-CB 4.43Å; W485-M511 HydrophobicContact CG-CE 3.88Å; W485-M511 HydrophobicContact CH2-CB 3.87Å; W485-M511 HydrophobicContact CH2-CG 4.21Å; W485-M511 HydrophobicContact CZ2-CB 3.54Å; W485-M511 HydrophobicContact CZ2-CG 4.35Å; W485-M511 HydrophobicContact CZ3-CB 4.1Å; W485-M511 HydrophobicContact CZ3-CG 4.03Å; W485-N512 PolarHBondContact NE1-OD1 3.04Å |
| 486 | L | 97 | Very high | 94.9 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 174.8 | 175.3 | 59.8 | 0 | 0 | 0 | 112.3 | A8 D122 F123 R482 M483 Q489 A490 | A8-L486 HydrophobicContact CB-CB 4.47Å; A8-L486 HydrophobicContact CB-CD2 4.13Å; A8-L486 HydrophobicContact CB-CG 3.68Å; D122-L486 HydrophobicContact CB-CB 4.41Å; D122-L486 HydrophobicContact CB-CD1 3.7Å; D122-L486 HydrophobicContact CB-CG 4.46Å; F123-L486 HydrophobicContact CB-CD1 3.97Å; F123-L486 HydrophobicContact CD2-CD1 4.29Å; R482-L486 PolarHBondContact O-N 2.8Å; R482-L486 VanDerWaalsContact O-N 3.09Å; M483-L486 HydrophobicContact CE-CD2 4.24Å; M483-L486 PolarHBondContact O-N 3.37Å; M483-L486 HydrophobicContact SD-CD2 4.45Å; L486-Q489 PolarHBondContact O-N 2.66Å; L486-A490 PolarHBondContact O-N 3.42Å |
| 487 | R | 95.4 | Very high | 94.5 | Very high | 65 Ų | 65 | 39.9 Ų | 39.9 | 25% | 0.245 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -48.2 | 172 | -73.5 | 172.3 | 177.8 | 125.8 | 6.1 | 111.2 | A8 E9 M483 D484 W485 Q489 A490 Y491 | A8-R487 HydrophobicContact CB-CB 4.45Å; A8-R487 HydrophobicContact CB-CG 3.9Å; E9-R487 IonicContact OE1-CZ 3.34Å; E9-R487 IonicContact OE1-NE 3.84Å; E9-R487 PolarHBondContact OE1-NE 3.42Å; E9-R487 IonicContact OE1-NH2 3.59Å; E9-R487 PolarHBondContact OE1-NH2 3.49Å; M483-R487 WeakPolarHBondContact O-CG 3.13Å; M483-R487 PolarHBondContact O-N 2.98Å; D484-R487 WeakPolarHBondContact O-CB 3.47Å; D484-R487 PolarHBondContact O-N 3.06Å; D484-R487 IonicContact OD1-CZ 2.82Å; D484-R487 IonicContact OD1-NH1 3.76Å; D484-R487 PolarHBondContact OD1-NH1 3.46Å; W485-R487 VanDerWaalsContact C-N 3.34Å; W485-R487 PolarHBondContact O-N 3.47Å; R487-Q489 VanDerWaalsContact C-N 3.35Å; R487-Q489 PolarHBondContact O-N 2.81Å; R487-A490 WeakPolarHBondContact O-CB 3.28Å; R487-A490 PolarHBondContact O-N 2.7Å; R487-A490 VanDerWaalsContact O-N 3.09Å; R487-Y491 HydrophobicContact CB-CE2 4.07Å; R487-Y491 WeakPolarHBondContact O-CD1 3.24Å; R487-Y491 WeakPolarHBondContact O-CD2 3.28Å; R487-Y491 VanDerWaalsContact O-CG 3.22Å; R487-Y491 PolarHBondContact O-N 3.41Å |
| 488 | L | 94.7 | Very high | 94 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 179 | -174.2 | 62 | 0 | 0 | 0 | 111.3 | E451 L454 M455 F458 D484 W485 A490 Y491 T492 M507 | E451-L488 HydrophobicContact CB-CD1 3.79Å; E451-L488 HydrophobicContact CG-CD1 3.52Å; L454-L488 HydrophobicContact CD1-CB 4.41Å; M455-L488 HydrophobicContact CE-CD1 4.35Å; M455-L488 HydrophobicContact CE-CD2 3.94Å; M455-L488 HydrophobicContact CG-CD2 4.02Å; F458-L488 HydrophobicContact CE2-CD2 3.95Å; D484-L488 WeakPolarHBondContact O-CB 3.46Å; D484-L488 PolarHBondContact O-N 3.12Å; W485-L488 HydrophobicContact CE3-CB 4.07Å; W485-L488 HydrophobicContact CE3-CD2 3.99Å; W485-L488 HydrophobicContact CE3-CG 4.32Å; W485-L488 HydrophobicContact CZ3-CB 4.34Å; W485-L488 HydrophobicContact CZ3-CD2 3.9Å; W485-L488 HydrophobicContact CZ3-CG 4.16Å; W485-L488 PolarHBondContact O-N 2.9Å; L488-A490 VanDerWaalsContact C-N 3.31Å; L488-A490 PolarHBondContact O-N 3.28Å; L488-Y491 PolarHBondContact O-N 3.22Å; L488-T492 HydrophobicContact CD1-CG2 3.8Å; L488-T492 HydrophobicContact CG-CG2 4.24Å; L488-T492 WeakPolarHBondContact O-CB 3.41Å; L488-T492 VanDerWaalsContact O-CG2 3.28Å; L488-T492 WeakPolarHBondContact O-CG2 3.2Å; L488-T492 PolarHBondContact O-N 3.06Å; L488-T492 PolarHBondContact O-OG1 2.89Å; L488-M507 HydrophobicContact CD2-CE 4.39Å |
| 489 | Q | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.5 | -46.2 | 171.4 | -73.3 | 174.9 | 42.8 | 0 | 0 | 111.1 | N120 D122 F123 W485 L486 R487 T492 S493 | N120-Q489 HydrophobicContact CB-CB 4.07Å; N120-Q489 HydrophobicContact CB-CG 3.99Å; N120-Q489 PolarHBondContact O-OE1 3.22Å; D122-Q489 PolarHBondContact OD2-NE2 2.63Å; F123-Q489 HydrophobicContact CB-CB 4.03Å; W485-Q489 HydrophobicContact CD2-CG 4Å; W485-Q489 HydrophobicContact CE3-CG 4.17Å; W485-Q489 HydrophobicContact CH2-CG 3.79Å; W485-Q489 HydrophobicContact CZ2-CG 3.62Å; W485-Q489 HydrophobicContact CZ3-CG 4.06Å; W485-Q489 WeakPolarHBondContact O-CG 2.93Å; W485-Q489 PolarHBondContact O-N 3.18Å; L486-Q489 PolarHBondContact O-N 2.66Å; R487-Q489 VanDerWaalsContact C-N 3.35Å; R487-Q489 PolarHBondContact O-N 2.81Å; Q489-T492 PolarHBondContact O-OG1 2.87Å; Q489-S493 WeakPolarHBondContact O-CB 3.35Å; Q489-S493 PolarHBondContact O-N 3.07Å; Q489-S493 VanDerWaalsContact O-N 3.13Å; Q489-S493 PolarHBondContact O-OG 2.64Å |
| 490 | A | 94.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.8 | -47.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L7 A8 F123 L486 R487 L488 T492 S493 | L7-A490 HydrophobicContact CB-CB 4.17Å; A8-A490 HydrophobicContact CB-CB 4.49Å; F123-A490 HydrophobicContact CD2-CB 4.11Å; F123-A490 HydrophobicContact CE2-CB 3.93Å; F123-A490 HydrophobicContact CZ-CB 4.44Å; L486-A490 PolarHBondContact O-N 3.42Å; R487-A490 WeakPolarHBondContact O-CB 3.28Å; R487-A490 PolarHBondContact O-N 2.7Å; R487-A490 VanDerWaalsContact O-N 3.09Å; L488-A490 VanDerWaalsContact C-N 3.31Å; L488-A490 PolarHBondContact O-N 3.28Å; A490-T492 VanDerWaalsContact C-N 3.32Å; A490-T492 PolarHBondContact O-N 3.05Å; A490-S493 PolarHBondContact O-N 3.02Å |
| 491 | Y | 92.4 | Very high | 93.2 | Very high | 39 Ų | 39 | 31 Ų | 31 | 15% | 0.153 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.5 | -39.6 | -179.7 | -60.2 | -21.1 | 0 | 0 | 0 | 112.7 | Y3 L454 R487 L488 S493 A497 | Y3-Y491 AromaticContact CD1-CD1 3.8Å; Y3-Y491 HydrophobicContact CD1-CD1 3.8Å; Y3-Y491 AromaticContact CD1-CD2 3.93Å; Y3-Y491 HydrophobicContact CD1-CD2 3.93Å; Y3-Y491 HydrophobicContact CD1-CE1 4.15Å; Y3-Y491 HydrophobicContact CD1-CE2 4.28Å; Y3-Y491 AromaticContact CD1-CG 3.69Å; Y3-Y491 HydrophobicContact CD1-CG 3.69Å; Y3-Y491 HydrophobicContact CE1-CD1 4.43Å; Y3-Y491 HydrophobicContact CE1-CD2 4.14Å; Y3-Y491 AromaticContact CE1-CG 3.92Å; Y3-Y491 HydrophobicContact CE1-CG 3.92Å; L454-Y491 HydrophobicContact CD1-CD2 4.48Å; L454-Y491 HydrophobicContact CD1-CE2 4.19Å; R487-Y491 HydrophobicContact CB-CE2 4.07Å; R487-Y491 WeakPolarHBondContact O-CD1 3.24Å; R487-Y491 WeakPolarHBondContact O-CD2 3.28Å; R487-Y491 VanDerWaalsContact O-CG 3.22Å; R487-Y491 PolarHBondContact O-N 3.41Å; L488-Y491 PolarHBondContact O-N 3.22Å; Y491-S493 VanDerWaalsContact C-N 3.32Å; Y491-A497 WeakPolarHBondContact O-CB 3.47Å |
| 492 | T | 92.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -87.7 | -2 | -176.3 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | E451 L488 Q489 A490 L499 P500 L501 | E451-T492 HydrophobicContact CG-CG2 4.46Å; L488-T492 HydrophobicContact CD1-CG2 3.8Å; L488-T492 HydrophobicContact CG-CG2 4.24Å; L488-T492 WeakPolarHBondContact O-CB 3.41Å; L488-T492 VanDerWaalsContact O-CG2 3.28Å; L488-T492 WeakPolarHBondContact O-CG2 3.2Å; L488-T492 PolarHBondContact O-N 3.06Å; L488-T492 PolarHBondContact O-OG1 2.89Å; Q489-T492 PolarHBondContact O-OG1 2.87Å; A490-T492 VanDerWaalsContact C-N 3.32Å; A490-T492 PolarHBondContact O-N 3.05Å; T492-L499 VanDerWaalsContact CA-O 3.3Å; T492-L499 WeakPolarHBondContact CA-O 3.14Å; T492-L499 WeakPolarHBondContact CB-O 3.08Å; T492-L499 HydrophobicContact CG2-CB 4.36Å; T492-L499 HydrophobicContact CG2-CD2 4.04Å; T492-L499 HydrophobicContact CG2-CG 4.38Å; T492-L499 WeakPolarHBondContact CG2-O 3.45Å; T492-P500 WeakPolarHBondContact O-CA 3.45Å; T492-L501 PolarHBondContact O-N 3.4Å |
| 493 | S | 94.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -105.9 | -10 | 179.8 | -60.2 | 0 | 0 | 0 | 0 | 113.8 | C113 F114 N120 Q489 A490 Y491 | C113-S493 CarbonylContact C-O 3.53Å; C113-S493 VanDerWaalsContact CA-O 3.29Å; C113-S493 WeakPolarHBondContact CA-O 3.41Å; F114-S493 PolarHBondContact N-O 3.31Å; N120-S493 PolarHBondContact ND2-OG 2.79Å; Q489-S493 WeakPolarHBondContact O-CB 3.35Å; Q489-S493 PolarHBondContact O-N 3.07Å; Q489-S493 VanDerWaalsContact O-N 3.13Å; Q489-S493 PolarHBondContact O-OG 2.64Å; A490-S493 PolarHBondContact O-N 3.02Å; Y491-S493 VanDerWaalsContact C-N 3.32Å |
| 494 | V | 93.1 | Very high | 92.3 | Very high | 15 Ų | 15 | 39.8 Ų | 39.8 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -70.3 | 153.5 | 174.8 | -57 | 0 | 0 | 0 | 0 | 111.5 | D2 L7 C111 K496 A497 | D2-V494 HydrophobicContact CB-CG2 4.27Å; L7-V494 HydrophobicContact CD1-CG1 4.46Å; C111-V494 HydrophobicContact CB-CB 4.31Å; C111-V494 HydrophobicContact CB-CG1 4Å; V494-K496 PolarHBondContact O-N 3.43Å; V494-A497 HydrophobicContact CG2-CB 3.97Å; V494-A497 VanDerWaalsContact O-CB 3.31Å; V494-A497 WeakPolarHBondContact O-CB 3.26Å; V494-A497 PolarHBondContact O-N 3.18Å; V494-A497 VanDerWaalsContact O-N 3.12Å |
| 495 | N | 89.2 | Confident | 92 | Very high | 79 Ų | 79 | 41.4 Ų | 41.4 | 42% | 0.422 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 135.3 | 177.4 | -177.1 | 27.7 | 0 | 0 | 0 | 111.1 | C111 Q112 A497 | C111-N495 VanDerWaalsContact O-CB 3.27Å; C111-N495 WeakPolarHBondContact O-CB 3.22Å; C111-N495 PolarHBondContact O-N 2.82Å; Q112-N495 HydrophobicContact CB-CB 3.7Å; Q112-N495 PolarHBondContact OE1-ND2 3.24Å; N495-A497 PolarHBondContact O-N 3.27Å |
| 496 | K | 87.3 | Confident | 91.7 | Very high | 190 Ų | 190 | 45.9 Ų | 45.9 | 83% | 0.826 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 25.6 | -172.5 | -50.3 | 178.5 | -179.4 | 176.8 | 0 | 114.2 | V494 | V494-K496 PolarHBondContact O-N 3.43Š|
| 497 | A | 88.3 | Confident | 91.4 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 8% | 0.083 | 23% | 0.23 | C | C | . | . | trans | -50.6 | 136 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y491 V494 N495 L499 | Y491-A497 WeakPolarHBondContact O-CB 3.47Å; V494-A497 HydrophobicContact CG2-CB 3.97Å; V494-A497 VanDerWaalsContact O-CB 3.31Å; V494-A497 WeakPolarHBondContact O-CB 3.26Å; V494-A497 PolarHBondContact O-N 3.18Å; V494-A497 VanDerWaalsContact O-N 3.12Å; N495-A497 PolarHBondContact O-N 3.27Å; A497-L499 PolarHBondContact O-N 3.07Å | ||
| 498 | P | 86.4 | Confident | 91.2 | Very high | 73 Ų | 73 | 42.7 Ų | 42.7 | 47% | 0.474 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -59.3 | -33.2 | 177.3 | -25.5 | 35 | 0 | 0 | 0 | 113 | P448 | P448-P498 HydrophobicContact CG-CB 3.46Å; P448-P498 VanDerWaalsContact CG-CB 3.46Å; P448-P498 HydrophobicContact CG-CG 4.11Å |
| 499 | L | 89.6 | Confident | 91.1 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -120.9 | 88.6 | 173.9 | -177 | 79.6 | 0 | 0 | 0 | 109.3 | M444 V446 M455 T492 A497 L501 Y504 | M444-L499 HydrophobicContact SD-CD1 4.25Å; M444-L499 HydrophobicContact SD-CD2 4.41Å; V446-L499 WeakPolarHBondContact O-CD1 3.22Å; M455-L499 HydrophobicContact CE-CD2 3.35Å; T492-L499 VanDerWaalsContact CA-O 3.3Å; T492-L499 WeakPolarHBondContact CA-O 3.14Å; T492-L499 WeakPolarHBondContact CB-O 3.08Å; T492-L499 HydrophobicContact CG2-CB 4.36Å; T492-L499 HydrophobicContact CG2-CD2 4.04Å; T492-L499 HydrophobicContact CG2-CG 4.38Å; T492-L499 WeakPolarHBondContact CG2-O 3.45Å; A497-L499 PolarHBondContact O-N 3.07Å; L499-L501 PolarHBondContact O-N 2.9Å; L499-Y504 HydrophobicContact CD1-CD2 3.79Å; L499-Y504 HydrophobicContact CD1-CE2 3.29Å; L499-Y504 HydrophobicContact CG-CD2 4.32Å; L499-Y504 HydrophobicContact CG-CE2 4.16Å |
| 500 | P | 91.4 | Very high | 91 | Very high | 29 Ų | 29 | 46.2 Ų | 46.2 | 19% | 0.188 | 24% | 0.235 | C | C | . | . | trans | -76.7 | 119.9 | -179.9 | 29.3 | -34.1 | 0 | 0 | 0 | 111.7 | T492 K502 D503 Y504 | T492-P500 WeakPolarHBondContact O-CA 3.45Å; P500-K502 HydrophobicContact CB-CG 4.12Å; P500-K502 PolarHBondContact O-N 3.37Å; P500-K502 VanDerWaalsContact O-N 3.16Å; P500-D503 HydrophobicContact CG-CB 4.18Å; P500-D503 WeakPolarHBondContact CG-OD2 3.07Å; P500-D503 PolarHBondContact O-N 3.25Å; P500-Y504 WeakPolarHBondContact O-CD2 3.47Å | ||
| 501 | L | 90.9 | Very high | 91.1 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -59.9 | -32.6 | -175.1 | -171.7 | 63.8 | 0 | 0 | 0 | 113.5 | N120 W485 T492 L499 D503 Y504 A508 | N120-L501 HydrophobicContact CB-CD2 3.87Å; W485-L501 HydrophobicContact CH2-CD1 4.15Å; W485-L501 HydrophobicContact CH2-CD2 4.19Å; T492-L501 PolarHBondContact O-N 3.4Å; L499-L501 PolarHBondContact O-N 2.9Å; L501-D503 PolarHBondContact O-N 3.46Å; L501-D503 VanDerWaalsContact O-N 3.11Å; L501-Y504 CarbonylContact O-C 3.49Å; L501-Y504 VanDerWaalsContact O-C 3.31Å; L501-Y504 PolarHBondContact O-N 2.9Å; L501-A508 HydrophobicContact CD1-CB 4.16Å; L501-A508 HydrophobicContact CD2-CB 4.25Å; L501-A508 HydrophobicContact CG-CB 4.28Å |
| 502 | K | 90.8 | Very high | 91.1 | Very high | 124 Ų | 124 | 44.4 Ų | 44.4 | 54% | 0.539 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -56.9 | -24.9 | 177.1 | 59.5 | 163.2 | -167 | 176.7 | 0 | 113.8 | F114 P500 | F114-K502 HydrophobicContact CD1-CB 4.22Å; F114-K502 HydrophobicContact CD2-CB 4.47Å; F114-K502 HydrophobicContact CE1-CB 3.9Å; F114-K502 HydrophobicContact CE2-CB 4.18Å; F114-K502 HydrophobicContact CG-CB 4.49Å; F114-K502 HydrophobicContact CZ-CB 3.88Å; P500-K502 HydrophobicContact CB-CG 4.12Å; P500-K502 PolarHBondContact O-N 3.37Å; P500-K502 VanDerWaalsContact O-N 3.16Å |
| 503 | D | 91.1 | Very high | 91.2 | Very high | 100 Ų | 100 | 45.2 Ų | 45.2 | 54% | 0.535 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -90.2 | -7.3 | -179.7 | -60.7 | -17.5 | 0 | 0 | 0 | 111.2 | P500 L501 P505 | P500-D503 HydrophobicContact CG-CB 4.18Å; P500-D503 WeakPolarHBondContact CG-OD2 3.07Å; P500-D503 PolarHBondContact O-N 3.25Å; L501-D503 PolarHBondContact O-N 3.46Å; L501-D503 VanDerWaalsContact O-N 3.11Å; D503-P505 VanDerWaalsContact C-CD 3.49Å |
| 504 | Y | 90.6 | Very high | 91.2 | Very high | 52 Ų | 52 | 45.1 Ų | 45.1 | 20% | 0.204 | 23% | 0.231 | C | C | . | . | trans | -128.7 | 62.8 | 179.9 | -58.6 | -82.6 | 0 | 0 | 0 | 112 | M444 L499 P500 L501 D506 M507 | M444-Y504 HydrophobicContact CB-CE1 4.19Å; M444-Y504 HydrophobicContact CG-CD1 4.07Å; M444-Y504 HydrophobicContact CG-CE1 3.96Å; L499-Y504 HydrophobicContact CD1-CD2 3.79Å; L499-Y504 HydrophobicContact CD1-CE2 3.29Å; L499-Y504 HydrophobicContact CG-CD2 4.32Å; L499-Y504 HydrophobicContact CG-CE2 4.16Å; P500-Y504 WeakPolarHBondContact O-CD2 3.47Å; L501-Y504 CarbonylContact O-C 3.49Å; L501-Y504 VanDerWaalsContact O-C 3.31Å; L501-Y504 PolarHBondContact O-N 2.9Å; Y504-D506 VanDerWaalsContact C-N 3.28Å; Y504-D506 PolarHBondContact O-N 3.33Å; Y504-M507 WeakPolarHBondContact O-CB 3.48Å; Y504-M507 PolarHBondContact O-N 3.24Å | ||
| 505 | P | 89.9 | Confident | 91.3 | Very high | 64 Ų | 64 | 44.8 Ų | 44.8 | 42% | 0.416 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.1 | -30.8 | -175.3 | 26 | -35.4 | 0 | 0 | 0 | 113.7 | D503 M507 A508 K509 | D503-P505 VanDerWaalsContact C-CD 3.49Å; P505-M507 VanDerWaalsContact C-N 3.32Å; P505-M507 PolarHBondContact O-N 3.28Å; P505-A508 WeakPolarHBondContact O-CB 3.46Å; P505-A508 PolarHBondContact O-N 3.43Å; P505-K509 WeakPolarHBondContact O-CG 3.48Å; P505-K509 PolarHBondContact O-N 3.46Å |
| 506 | D | 91 | Very high | 91.7 | Very high | 96 Ų | 96 | 41.2 Ų | 41.2 | 51% | 0.513 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.2 | -33.6 | 179.9 | -63.6 | -34.9 | 0 | 0 | 0 | 112.1 | Y504 A508 K509 V510 | Y504-D506 VanDerWaalsContact C-N 3.28Å; Y504-D506 PolarHBondContact O-N 3.33Å; D506-A508 VanDerWaalsContact C-N 3.34Å; D506-A508 PolarHBondContact O-N 3.21Å; D506-K509 PolarHBondContact O-N 3.45Å; D506-V510 VanDerWaalsContact O-CG2 3.3Å; D506-V510 WeakPolarHBondContact O-CG2 3.4Å; D506-V510 PolarHBondContact O-N 3.13Å |
| 507 | M | 91.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.02 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.9 | -45 | 173 | -178 | 64.9 | 177.4 | 0 | 0 | 111.1 | L437 T440 I441 M444 M455 L488 Y504 P505 V510 M511 | L437-M507 HydrophobicContact CD1-CE 3.69Å; L437-M507 HydrophobicContact CD1-SD 3.59Å; L437-M507 VanDerWaalsContact CD1-SD 3.59Å; T440-M507 HydrophobicContact CG2-CB 4.17Å; T440-M507 HydrophobicContact CG2-SD 4.28Å; I441-M507 HydrophobicContact CG1-CE 4.24Å; I441-M507 HydrophobicContact CG1-SD 4.28Å; M444-M507 HydrophobicContact CE-CB 3.76Å; M444-M507 HydrophobicContact CE-CG 3.66Å; M444-M507 HydrophobicContact CE-SD 3.7Å; M455-M507 HydrophobicContact CE-CE 4.01Å; M455-M507 HydrophobicContact CG-CE 3.95Å; M455-M507 HydrophobicContact SD-CE 4.19Å; L488-M507 HydrophobicContact CD2-CE 4.39Å; Y504-M507 WeakPolarHBondContact O-CB 3.48Å; Y504-M507 PolarHBondContact O-N 3.24Å; P505-M507 VanDerWaalsContact C-N 3.32Å; P505-M507 PolarHBondContact O-N 3.28Å; M507-V510 PolarHBondContact O-N 3.29Å; M507-M511 HydrophobicContact CE-CG 3.76Å; M507-M511 HydrophobicContact CE-SD 4.23Å; M507-M511 WeakPolarHBondContact O-CB 3.3Å; M507-M511 WeakPolarHBondContact O-CG 3.23Å; M507-M511 PolarHBondContact O-N 3.49Å; M507-M511 HydrophobicContact SD-CG 4.16Å |
| 508 | A | 91.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | S119 L501 P505 D506 M511 N512 | S119-A508 VanDerWaalsContact OG-CB 3.25Å; S119-A508 WeakPolarHBondContact OG-CB 3.49Å; L501-A508 HydrophobicContact CD1-CB 4.16Å; L501-A508 HydrophobicContact CD2-CB 4.25Å; L501-A508 HydrophobicContact CG-CB 4.28Å; P505-A508 WeakPolarHBondContact O-CB 3.46Å; P505-A508 PolarHBondContact O-N 3.43Å; D506-A508 VanDerWaalsContact C-N 3.34Å; D506-A508 PolarHBondContact O-N 3.21Å; A508-M511 PolarHBondContact O-N 3.34Å; A508-N512 VanDerWaalsContact O-CB 3.3Å; A508-N512 WeakPolarHBondContact O-CB 3.21Å; A508-N512 PolarHBondContact O-N 3.15Å; A508-N512 PolarHBondContact O-ND2 3.46Å; A508-N512 VanDerWaalsContact O-ND2 3.12Å |
| 509 | K | 91.6 | Very high | 93.1 | Very high | 62 Ų | 62 | 29.8 Ų | 29.8 | 27% | 0.27 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -58.1 | -50.8 | 176.2 | -69.8 | 176.6 | -177.7 | -178.7 | 0 | 111.8 | E240 P505 D506 N512 M513 | E240-K509 HydrophobicContact CB-CD 4.13Å; E240-K509 HydrophobicContact CB-CG 4.29Å; E240-K509 HydrophobicContact CG-CD 4.26Å; E240-K509 IonicContact OE1-NZ 3.18Å; E240-K509 PolarHBondContact OE1-NZ 3.01Å; E240-K509 WeakPolarHBondContact OE2-CE 3.35Å; E240-K509 IonicContact OE2-NZ 3.16Å; E240-K509 PolarHBondContact OE2-NZ 3.22Å; E240-K509 VanDerWaalsContact OE2-NZ 3.13Å; P505-K509 WeakPolarHBondContact O-CG 3.48Å; P505-K509 PolarHBondContact O-N 3.46Å; D506-K509 PolarHBondContact O-N 3.45Å; K509-N512 PolarHBondContact O-N 3.07Å; K509-M513 PolarHBondContact O-N 2.91Å; K509-M513 VanDerWaalsContact O-N 3.09Å |
| 510 | V | 94.1 | Very high | 93.4 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.4 | -46.9 | -179 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L436 L437 D506 M507 N512 M513 I514 | L436-V510 HydrophobicContact CD2-CG1 4.4Å; L436-V510 HydrophobicContact CD2-CG2 3.78Å; L436-V510 HydrophobicContact CG-CG1 4.33Å; L436-V510 HydrophobicContact CG-CG2 3.9Å; L437-V510 HydrophobicContact CB-CG1 4.12Å; L437-V510 HydrophobicContact CD1-CG1 4.2Å; D506-V510 VanDerWaalsContact O-CG2 3.3Å; D506-V510 WeakPolarHBondContact O-CG2 3.4Å; D506-V510 PolarHBondContact O-N 3.13Å; M507-V510 PolarHBondContact O-N 3.29Å; V510-N512 PolarHBondContact O-N 2.93Å; V510-M513 WeakPolarHBondContact O-CB 3.34Å; V510-M513 PolarHBondContact O-N 3.43Å; V510-I514 HydrophobicContact CG1-CD1 3.75Å; V510-I514 HydrophobicContact CG1-CG1 4.44Å; V510-I514 WeakPolarHBondContact O-CG1 3.34Å; V510-I514 PolarHBondContact O-N 2.98Å |
| 511 | M | 94.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.9 | -37 | -179.7 | -74.8 | -58.8 | -58.6 | 0 | 0 | 113.4 | L437 F458 W485 M507 A508 M513 I514 Q515 | L437-M511 HydrophobicContact CD1-CG 4.15Å; L437-M511 HydrophobicContact CD1-SD 3.61Å; L437-M511 HydrophobicContact CD2-SD 3.8Å; L437-M511 HydrophobicContact CG-SD 4.37Å; F458-M511 HydrophobicContact CD2-CE 3.61Å; F458-M511 HydrophobicContact CD2-SD 3.97Å; F458-M511 HydrophobicContact CE2-CE 3.7Å; F458-M511 HydrophobicContact CE2-SD 4.44Å; F458-M511 HydrophobicContact CG-CE 4.18Å; F458-M511 HydrophobicContact CZ-CE 4.32Å; W485-M511 HydrophobicContact CB-CE 3.97Å; W485-M511 HydrophobicContact CD2-CB 3.74Å; W485-M511 HydrophobicContact CD2-CE 3.93Å; W485-M511 HydrophobicContact CD2-CG 4.19Å; W485-M511 VanDerWaalsContact CE2-CB 3.44Å; W485-M511 HydrophobicContact CE3-CB 4.02Å; W485-M511 HydrophobicContact CE3-CE 4.07Å; W485-M511 HydrophobicContact CE3-CG 4.01Å; W485-M511 HydrophobicContact CG-CB 4.43Å; W485-M511 HydrophobicContact CG-CE 3.88Å; W485-M511 HydrophobicContact CH2-CB 3.87Å; W485-M511 HydrophobicContact CH2-CG 4.21Å; W485-M511 HydrophobicContact CZ2-CB 3.54Å; W485-M511 HydrophobicContact CZ2-CG 4.35Å; W485-M511 HydrophobicContact CZ3-CB 4.1Å; W485-M511 HydrophobicContact CZ3-CG 4.03Å; M507-M511 HydrophobicContact CE-CG 3.76Å; M507-M511 HydrophobicContact CE-SD 4.23Å; M507-M511 WeakPolarHBondContact O-CB 3.3Å; M507-M511 WeakPolarHBondContact O-CG 3.23Å; M507-M511 PolarHBondContact O-N 3.49Å; M507-M511 HydrophobicContact SD-CG 4.16Å; A508-M511 PolarHBondContact O-N 3.34Å; M511-M513 VanDerWaalsContact C-N 3.29Å; M511-M513 PolarHBondContact O-N 2.93Å; M511-I514 PolarHBondContact O-N 3.32Å; M511-I514 HydrophobicContact SD-CD1 3.99Å; M511-Q515 WeakPolarHBondContact O-CB 3.29Å; M511-Q515 PolarHBondContact O-N 3.05Å |
| 512 | N | 92.7 | Very high | 94 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.9 | -32.9 | 174.9 | -68.7 | -22.2 | 0 | 0 | 0 | 111.8 | S119 W485 A508 K509 V510 F516 | S119-N512 PolarHBondContact O-ND2 3.41Å; W485-N512 PolarHBondContact NE1-OD1 3.04Å; A508-N512 VanDerWaalsContact O-CB 3.3Å; A508-N512 WeakPolarHBondContact O-CB 3.21Å; A508-N512 PolarHBondContact O-N 3.15Å; A508-N512 PolarHBondContact O-ND2 3.46Å; A508-N512 VanDerWaalsContact O-ND2 3.12Å; K509-N512 PolarHBondContact O-N 3.07Å; V510-N512 PolarHBondContact O-N 2.93Å; N512-F516 PolarHBondContact O-N 3.47Å |
| 513 | M | 94.3 | Very high | 94.3 | Very high | 20 Ų | 20 | 24.4 Ų | 24.4 | 10% | 0.099 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.4 | -47.4 | 171.8 | -175.9 | -179.3 | 65.8 | 0 | 0 | 111.6 | M242 F432 D433 L436 K509 V510 M511 Q515 F516 H517 | M242-M513 HydrophobicContact CG-CB 4.26Å; M242-M513 HydrophobicContact CG-CG 4.27Å; F432-M513 HydrophobicContact CE1-CE 4.36Å; D433-M513 WeakPolarHBondContact OD1-CE 3.07Å; L436-M513 HydrophobicContact CD2-CE 4.37Å; K509-M513 PolarHBondContact O-N 2.91Å; K509-M513 VanDerWaalsContact O-N 3.09Å; V510-M513 WeakPolarHBondContact O-CB 3.34Å; V510-M513 PolarHBondContact O-N 3.43Å; M511-M513 VanDerWaalsContact C-N 3.29Å; M511-M513 PolarHBondContact O-N 2.93Å; M513-Q515 PolarHBondContact O-N 3.45Å; M513-F516 WeakPolarHBondContact O-CB 3.33Å; M513-F516 PolarHBondContact O-N 3.44Å; M513-F516 VanDerWaalsContact O-N 3.14Å; M513-H517 PolarHBondContact O-N 2.95Å |
| 514 | I | 96.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.8 | -42.6 | 174.6 | -73.8 | 168.3 | 0 | 0 | 0 | 110.7 | L429 D433 L437 L462 L481 V510 M511 F516 H517 T518 | L429-I514 HydrophobicContact CD2-CG2 4.09Å; D433-I514 HydrophobicContact CB-CD1 4.02Å; D433-I514 HydrophobicContact CB-CG1 3.65Å; L437-I514 HydrophobicContact CB-CD1 4.03Å; L437-I514 HydrophobicContact CD1-CD1 4.44Å; L437-I514 HydrophobicContact CD2-CD1 3.84Å; L437-I514 HydrophobicContact CG-CD1 4.32Å; L462-I514 HydrophobicContact CD1-CD1 3.88Å; L462-I514 HydrophobicContact CD1-CG1 4.3Å; L462-I514 HydrophobicContact CD1-CG2 3.87Å; L462-I514 HydrophobicContact CD2-CG2 4.47Å; L481-I514 HydrophobicContact CD2-CG2 4.48Å; V510-I514 HydrophobicContact CG1-CD1 3.75Å; V510-I514 HydrophobicContact CG1-CG1 4.44Å; V510-I514 WeakPolarHBondContact O-CG1 3.34Å; V510-I514 PolarHBondContact O-N 2.98Å; M511-I514 PolarHBondContact O-N 3.32Å; M511-I514 HydrophobicContact SD-CD1 3.99Å; I514-F516 VanDerWaalsContact C-N 3.33Å; I514-F516 PolarHBondContact O-N 2.87Å; I514-H517 PolarHBondContact O-N 3.36Å; I514-H517 VanDerWaalsContact O-N 3.14Å; I514-T518 HydrophobicContact CG2-CG2 4.16Å; I514-T518 WeakPolarHBondContact O-CG2 3.19Å; I514-T518 PolarHBondContact O-N 3.39Å; I514-T518 PolarHBondContact O-OG1 2.82Å |
| 515 | Q | 94.9 | Very high | 94.7 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 179.3 | -165.2 | -171.9 | 12.6 | 0 | 0 | 111.6 | D122 R482 M511 M513 T518 R519 | D122-Q515 PolarHBondContact OD1-NE2 3.14Å; D122-Q515 VanDerWaalsContact OD2-CD 3.27Å; D122-Q515 PolarHBondContact OD2-NE2 3.49Å; D122-Q515 PolarHBondContact OD2-OE1 3.36Å; R482-Q515 HydrophobicContact CG-CG 4.07Å; M511-Q515 WeakPolarHBondContact O-CB 3.29Å; M511-Q515 PolarHBondContact O-N 3.05Å; M513-Q515 PolarHBondContact O-N 3.45Å; Q515-T518 PolarHBondContact O-OG1 3.39Å; Q515-R519 WeakPolarHBondContact O-CG 3.4Å; Q515-R519 PolarHBondContact O-N 3.22Å |
| 516 | F | 96.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.013 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 173.1 | 176.3 | -101.5 | 0 | 0 | 0 | 111.8 | M242 Y246 A362 L363 M366 N512 M513 I514 T518 R519 M520 M527 | M242-F516 HydrophobicContact CB-CB 4.2Å; M242-F516 HydrophobicContact CE-CD1 3.43Å; M242-F516 VanDerWaalsContact CE-CD1 3.43Å; M242-F516 HydrophobicContact CE-CE1 3.8Å; M242-F516 HydrophobicContact CE-CG 4.17Å; Y246-F516 HydrophobicContact CD1-CE2 4.41Å; Y246-F516 AromaticContact CE1-CD2 3.56Å; Y246-F516 HydrophobicContact CE1-CD2 3.56Å; Y246-F516 AromaticContact CE1-CE2 3.84Å; Y246-F516 HydrophobicContact CE1-CE2 3.84Å; Y246-F516 AromaticContact CZ-CD2 3.99Å; A362-F516 HydrophobicContact CB-CE1 4.47Å; A362-F516 HydrophobicContact CB-CZ 4.19Å; L363-F516 HydrophobicContact CB-CE1 4.39Å; L363-F516 HydrophobicContact CB-CZ 4.18Å; L363-F516 HydrophobicContact CD1-CE2 4.26Å; L363-F516 HydrophobicContact CD1-CZ 4.23Å; M366-F516 HydrophobicContact CG-CE2 4.19Å; N512-F516 PolarHBondContact O-N 3.47Å; M513-F516 WeakPolarHBondContact O-CB 3.33Å; M513-F516 PolarHBondContact O-N 3.44Å; M513-F516 VanDerWaalsContact O-N 3.14Å; I514-F516 VanDerWaalsContact C-N 3.33Å; I514-F516 PolarHBondContact O-N 2.87Å; F516-T518 PolarHBondContact O-N 3.41Å; F516-R519 WeakPolarHBondContact O-CB 3.4Å; F516-R519 PolarHBondContact O-N 3.04Å; F516-M520 HydrophobicContact CD1-CG 4.31Å; F516-M520 HydrophobicContact CD2-CE 4.43Å; F516-M520 HydrophobicContact CE1-CG 3.81Å; F516-M520 HydrophobicContact CE1-SD 4.45Å; F516-M520 HydrophobicContact CE2-CE 3.89Å; F516-M520 HydrophobicContact CE2-CG 4.28Å; F516-M520 HydrophobicContact CE2-SD 4.16Å; F516-M520 HydrophobicContact CZ-CE 4.19Å; F516-M520 HydrophobicContact CZ-CG 3.79Å; F516-M520 HydrophobicContact CZ-SD 3.84Å; F516-M520 WeakPolarHBondContact O-CG 3.47Å; F516-M520 PolarHBondContact O-N 2.97Å; F516-M520 VanDerWaalsContact O-N 3.08Å; F516-M527 HydrophobicContact CD2-CE 4.25Å; F516-M527 HydrophobicContact CE2-CE 4.07Å |
| 517 | H | 97.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.019 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 179.5 | -67.4 | 169.9 | 0 | 0 | 0 | 112.8 | H425 Y428 L429 D433 M513 I514 R519 M520 V521 | H425-H517 AromaticContact CE1-CD2 3.55Å; H425-H517 AromaticContact ND1-CD2 3.35Å; H425-H517 PolarHBondContact ND1-CD2 3.38Å; H425-H517 AromaticContact ND1-CG 3.68Å; Y428-H517 AromaticContact CD1-CE1 3.6Å; Y428-H517 AromaticContact CD1-ND1 3.78Å; Y428-H517 AromaticContact CE1-CE1 3.64Å; L429-H517 HydrophobicContact CD1-CB 4.34Å; L429-H517 HydrophobicContact CD2-CB 3.66Å; L429-H517 HydrophobicContact CG-CB 3.91Å; D433-H517 IonicContact OD1-CE1 2.69Å; D433-H517 IonicContact OD1-ND1 3.01Å; D433-H517 IonicContact OD2-CE1 2.72Å; D433-H517 IonicContact OD2-CG 3.38Å; D433-H517 IonicContact OD2-ND1 3.96Å; D433-H517 PolarHBondContact OD2-ND1 3.07Å; M513-H517 PolarHBondContact O-N 2.95Å; I514-H517 PolarHBondContact O-N 3.36Å; I514-H517 VanDerWaalsContact O-N 3.14Å; H517-R519 VanDerWaalsContact C-N 3.33Å; H517-R519 PolarHBondContact O-N 3.39Å; H517-M520 WeakPolarHBondContact O-CB 3.31Å; H517-M520 PolarHBondContact O-N 3.37Å; H517-M520 VanDerWaalsContact O-N 3.12Å; H517-V521 PolarHBondContact O-N 3.47Å |
| 518 | T | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 175 | 60.8 | 0 | 0 | 0 | 0 | 111.4 | L429 L462 F478 L481 R482 I514 Q515 F516 M520 V521 D522 | L429-T518 HydrophobicContact CD1-CG2 4.16Å; L429-T518 HydrophobicContact CD2-CG2 3.98Å; L462-T518 HydrophobicContact CD2-CG2 4.4Å; F478-T518 HydrophobicContact CB-CG2 4.26Å; F478-T518 HydrophobicContact CD1-CG2 4.27Å; F478-T518 HydrophobicContact CD2-CG2 4.33Å; F478-T518 HydrophobicContact CG-CG2 4.04Å; L481-T518 HydrophobicContact CD2-CG2 4.31Å; R482-T518 PolarHBondContact NH1-OG1 2.92Å; I514-T518 HydrophobicContact CG2-CG2 4.16Å; I514-T518 WeakPolarHBondContact O-CG2 3.19Å; I514-T518 PolarHBondContact O-N 3.39Å; I514-T518 PolarHBondContact O-OG1 2.82Å; Q515-T518 PolarHBondContact O-OG1 3.39Å; F516-T518 PolarHBondContact O-N 3.41Å; T518-M520 PolarHBondContact O-N 3.11Å; T518-V521 WeakPolarHBondContact O-CA 3.48Å; T518-V521 WeakPolarHBondContact O-CB 3.41Å; T518-V521 PolarHBondContact O-N 3.15Å; T518-D522 PolarHBondContact O-N 3.31Å; T518-D522 VanDerWaalsContact O-N 3.09Å |
| 519 | R | 97.1 | Very high | 95.4 | Very high | 30 Ų | 30 | 24.9 Ų | 24.9 | 11% | 0.113 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.5 | -30.5 | 176 | -69.1 | -173.3 | -175.3 | -156.6 | -0.8 | 112.6 | Q515 F516 H517 V521 S523 V524 M527 E530 | Q515-R519 WeakPolarHBondContact O-CG 3.4Å; Q515-R519 PolarHBondContact O-N 3.22Å; F516-R519 WeakPolarHBondContact O-CB 3.4Å; F516-R519 PolarHBondContact O-N 3.04Å; H517-R519 VanDerWaalsContact C-N 3.33Å; H517-R519 PolarHBondContact O-N 3.39Å; R519-V521 PolarHBondContact O-N 3.09Å; R519-S523 CarbonylContact O-C 3.6Å; R519-S523 WeakPolarHBondContact O-CA 3.47Å; R519-S523 PolarHBondContact O-N 2.89Å; R519-V524 PolarHBondContact O-N 2.96Å; R519-M527 HydrophobicContact CB-CG 3.89Å; R519-M527 HydrophobicContact CB-SD 4.34Å; R519-M527 WeakPolarHBondContact CD-SD 3.46Å; R519-M527 HydrophobicContact CG-CG 4.49Å; R519-M527 PolarHBondContact NH1-SD 3.22Å; R519-E530 IonicContact NH1-OE2 3.04Å; R519-E530 PolarHBondContact NH1-OE2 3.2Å |
| 520 | M | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -72.6 | -6.5 | 173.4 | -64.7 | -57.1 | 97.2 | 0 | 0 | 113.4 | A362 M366 M414 V421 H425 F516 H517 T518 V524 M527 | A362-M520 HydrophobicContact CB-CG 4.26Å; A362-M520 HydrophobicContact CB-SD 3.84Å; M366-M520 HydrophobicContact CE-CE 3.92Å; M366-M520 HydrophobicContact CE-SD 4.09Å; M414-M520 HydrophobicContact CE-SD 4.39Å; V421-M520 HydrophobicContact CG1-CB 3.96Å; V421-M520 HydrophobicContact CG1-SD 4.39Å; H425-M520 HydrophobicContact CB-CB 4.18Å; H425-M520 WeakPolarHBondContact CD2-CB 3.33Å; F516-M520 HydrophobicContact CD1-CG 4.31Å; F516-M520 HydrophobicContact CD2-CE 4.43Å; F516-M520 HydrophobicContact CE1-CG 3.81Å; F516-M520 HydrophobicContact CE1-SD 4.45Å; F516-M520 HydrophobicContact CE2-CE 3.89Å; F516-M520 HydrophobicContact CE2-CG 4.28Å; F516-M520 HydrophobicContact CE2-SD 4.16Å; F516-M520 HydrophobicContact CZ-CE 4.19Å; F516-M520 HydrophobicContact CZ-CG 3.79Å; F516-M520 HydrophobicContact CZ-SD 3.84Å; F516-M520 WeakPolarHBondContact O-CG 3.47Å; F516-M520 PolarHBondContact O-N 2.97Å; F516-M520 VanDerWaalsContact O-N 3.08Å; H517-M520 WeakPolarHBondContact O-CB 3.31Å; H517-M520 PolarHBondContact O-N 3.37Å; H517-M520 VanDerWaalsContact O-N 3.12Å; T518-M520 PolarHBondContact O-N 3.11Å; M520-V524 WeakPolarHBondContact O-CG2 3.45Å; M520-M527 HydrophobicContact CE-CB 3.94Å; M520-M527 HydrophobicContact CE-CE 4.09Å; M520-M527 HydrophobicContact CE-CG 3.61Å |
| 521 | V | 97.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -100.4 | -54.6 | 173.5 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | Q422 H425 V426 L429 F476 F478 H517 T518 R519 | Q422-V521 WeakPolarHBondContact CG-O 3.34Å; Q422-V521 PolarHBondContact NE2-O 3.45Å; H425-V521 HydrophobicContact CB-CG2 3.74Å; V426-V521 HydrophobicContact CG2-CG1 3.74Å; V426-V521 HydrophobicContact CG2-CG2 3.87Å; L429-V521 HydrophobicContact CD1-CG2 3.89Å; F476-V521 HydrophobicContact CB-CG1 3.94Å; F476-V521 HydrophobicContact CD1-CG1 3.99Å; F476-V521 HydrophobicContact CD2-CG1 3.67Å; F476-V521 HydrophobicContact CE1-CG1 4.42Å; F476-V521 HydrophobicContact CE2-CG1 4.14Å; F476-V521 HydrophobicContact CG-CG1 3.59Å; F476-V521 HydrophobicContact CZ-CG1 4.48Å; F478-V521 HydrophobicContact CD2-CB 4.48Å; F478-V521 HydrophobicContact CE2-CB 3.91Å; F478-V521 HydrophobicContact CE2-CG1 3.8Å; H517-V521 PolarHBondContact O-N 3.47Å; T518-V521 WeakPolarHBondContact O-CA 3.48Å; T518-V521 WeakPolarHBondContact O-CB 3.41Å; T518-V521 PolarHBondContact O-N 3.15Å; R519-V521 PolarHBondContact O-N 3.09Å |
| 522 | D | 96.6 | Very high | 95.7 | Very high | 39 Ų | 39 | 23.8 Ų | 23.8 | 21% | 0.209 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -108.1 | -8.5 | -171.2 | 74.4 | -34.6 | 0 | 0 | 0 | 115.1 | F476 F478 R482 T518 | F476-D522 HydrophobicContact CB-CB 3.99Å; F476-D522 WeakPolarHBondContact O-CB 3.3Å; F478-D522 HydrophobicContact CD2-CB 3.94Å; F478-D522 PolarHBondContact N-OD2 3.5Å; R482-D522 IonicContact CZ-OD1 3.84Å; R482-D522 IonicContact CZ-OD2 3.7Å; R482-D522 IonicContact NH1-OD1 2.93Å; R482-D522 PolarHBondContact NH1-OD1 3.25Å; R482-D522 IonicContact NH1-OD2 3.85Å; R482-D522 PolarHBondContact NH1-OD2 3Å; R482-D522 IonicContact NH2-OD1 3.88Å; R482-D522 PolarHBondContact NH2-OD1 3.47Å; R482-D522 IonicContact NH2-OD2 2.67Å; R482-D522 PolarHBondContact NH2-OD2 3.12Å; T518-D522 PolarHBondContact O-N 3.31Å; T518-D522 VanDerWaalsContact O-N 3.09Å |
| 523 | S | 96.8 | Very high | 95.6 | Very high | 11 Ų | 11 | 24.5 Ų | 24.5 | 8% | 0.077 | 11% | 0.114 | C | C | . | . | trans | -139.3 | 30.5 | -169.4 | -52.7 | 0 | 0 | 0 | 0 | 113.7 | R482 R519 E525 E526 M527 | R482-S523 PolarHBondContact NH2-OG 3.23Å; R519-S523 CarbonylContact O-C 3.6Å; R519-S523 WeakPolarHBondContact O-CA 3.47Å; R519-S523 PolarHBondContact O-N 2.89Å; S523-E525 VanDerWaalsContact C-N 3.27Å; S523-E525 PolarHBondContact O-N 3.41Å; S523-E526 PolarHBondContact O-N 3.4Å; S523-M527 WeakPolarHBondContact O-CB 3.28Å; S523-M527 WeakPolarHBondContact O-CG 3.2Å; S523-M527 PolarHBondContact O-N 3.02Å | ||
| 524 | V | 96.2 | Very high | 95.6 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 3% | 0.03 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.1 | -40.3 | 178 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | M414 N418 V421 R519 M520 M527 L528 | M414-V524 HydrophobicContact CB-CG1 4.37Å; M414-V524 HydrophobicContact CE-CG1 3.92Å; N418-V524 WeakPolarHBondContact OD1-CG2 3.34Å; V421-V524 HydrophobicContact CG1-CG2 4.4Å; R519-V524 PolarHBondContact O-N 2.96Å; M520-V524 WeakPolarHBondContact O-CG2 3.45Å; V524-M527 PolarHBondContact O-N 3.01Å; V524-L528 HydrophobicContact CG1-CD1 4.27Å; V524-L528 HydrophobicContact CG1-CG 4.41Å; V524-L528 VanDerWaalsContact O-CG 3.28Å; V524-L528 WeakPolarHBondContact O-CG 3.37Å; V524-L528 PolarHBondContact O-N 3.32Å |
| 525 | E | 94.2 | Very high | 95.5 | Very high | 136 Ų | 136 | 23.9 Ų | 23.9 | 64% | 0.636 | 11% | 0.111 | S | C | * | . | H | α-helix | trans | -66.7 | -41.7 | 178.7 | -62.7 | -165.6 | 162.7 | 0 | 0 | 112.9 | S523 M527 L528 Y529 | S523-E525 VanDerWaalsContact C-N 3.27Å; S523-E525 PolarHBondContact O-N 3.41Å; E525-M527 VanDerWaalsContact C-N 3.32Å; E525-M527 PolarHBondContact O-N 2.82Å; E525-L528 PolarHBondContact O-N 3.34Å; E525-Y529 PolarHBondContact O-N 3.42Å |
| 526 | E | 94.4 | Very high | 95.4 | Very high | 106 Ų | 106 | 24.1 Ų | 24.1 | 50% | 0.495 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -62.8 | -39.9 | 174.1 | -171.6 | -174.3 | 169.2 | 0 | 0 | 111 | S523 Y529 E530 | S523-E526 PolarHBondContact O-N 3.4Å; E526-Y529 WeakPolarHBondContact O-CB 3.19Å; E526-Y529 PolarHBondContact O-N 3.24Å; E526-E530 PolarHBondContact O-N 3.45Å |
| 527 | M | 95.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.7 | -41.6 | 175.7 | -77.2 | -67.3 | -62.2 | 0 | 0 | 112.7 | Y246 M366 F516 R519 M520 S523 V524 E525 Y529 E530 T531 | Y246-M527 HydrophobicContact CD2-CE 3.97Å; Y246-M527 HydrophobicContact CE1-CE 4.1Å; Y246-M527 HydrophobicContact CE2-CE 3.46Å; Y246-M527 VanDerWaalsContact CE2-CE 3.46Å; Y246-M527 HydrophobicContact CE2-SD 4.26Å; M366-M527 HydrophobicContact CE-CB 3.95Å; M366-M527 HydrophobicContact CG-CE 4.04Å; M366-M527 HydrophobicContact SD-CB 3.93Å; M366-M527 HydrophobicContact SD-CE 4.03Å; F516-M527 HydrophobicContact CD2-CE 4.25Å; F516-M527 HydrophobicContact CE2-CE 4.07Å; R519-M527 HydrophobicContact CB-CG 3.89Å; R519-M527 HydrophobicContact CB-SD 4.34Å; R519-M527 WeakPolarHBondContact CD-SD 3.46Å; R519-M527 HydrophobicContact CG-CG 4.49Å; R519-M527 PolarHBondContact NH1-SD 3.22Å; M520-M527 HydrophobicContact CE-CB 3.94Å; M520-M527 HydrophobicContact CE-CE 4.09Å; M520-M527 HydrophobicContact CE-CG 3.61Å; S523-M527 WeakPolarHBondContact O-CB 3.28Å; S523-M527 WeakPolarHBondContact O-CG 3.2Å; S523-M527 PolarHBondContact O-N 3.02Å; V524-M527 PolarHBondContact O-N 3.01Å; E525-M527 VanDerWaalsContact C-N 3.32Å; E525-M527 PolarHBondContact O-N 2.82Å; M527-Y529 VanDerWaalsContact C-N 3.28Å; M527-Y529 PolarHBondContact O-N 3.19Å; M527-E530 PolarHBondContact O-N 3.49Å; M527-T531 WeakPolarHBondContact O-CB 3.45Å; M527-T531 WeakPolarHBondContact O-CG2 3.42Å; M527-T531 PolarHBondContact O-N 3.37Å; M527-T531 PolarHBondContact O-OG1 3.14Å |
| 528 | L | 95.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 172.8 | -70.9 | 175.6 | 0 | 0 | 0 | 110.3 | M366 L369 R411 M414 K415 V524 E525 S532 | M366-L528 HydrophobicContact CE-CD2 4.09Å; M366-L528 HydrophobicContact CE-CG 4.49Å; L369-L528 HydrophobicContact CD1-CD2 3.57Å; R411-L528 HydrophobicContact CG-CD2 4.19Å; R411-L528 VanDerWaalsContact NH1-C 3.31Å; R411-L528 PolarHBondContact NH1-O 3.28Å; M414-L528 HydrophobicContact CB-CD1 3.96Å; M414-L528 HydrophobicContact CB-CD2 4.01Å; M414-L528 HydrophobicContact CB-CG 4.44Å; M414-L528 HydrophobicContact CG-CD2 4.1Å; K415-L528 HydrophobicContact CG-CD1 3.85Å; V524-L528 HydrophobicContact CG1-CD1 4.27Å; V524-L528 HydrophobicContact CG1-CG 4.41Å; V524-L528 VanDerWaalsContact O-CG 3.28Å; V524-L528 WeakPolarHBondContact O-CG 3.37Å; V524-L528 PolarHBondContact O-N 3.32Å; E525-L528 PolarHBondContact O-N 3.34Å; L528-S532 PolarHBondContact O-N 3.18Å; L528-S532 PolarHBondContact O-OG 3.03Å |
| 529 | Y | 93.1 | Very high | 95 | Very high | 79 Ų | 79 | 25 Ų | 25 | 31% | 0.31 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -59.1 | -60.1 | 173.4 | 179 | -114 | 0 | 0 | 0 | 111.1 | E525 E526 M527 T531 S532 E533 Q573 | E525-Y529 PolarHBondContact O-N 3.42Å; E526-Y529 WeakPolarHBondContact O-CB 3.19Å; E526-Y529 PolarHBondContact O-N 3.24Å; M527-Y529 VanDerWaalsContact C-N 3.28Å; M527-Y529 PolarHBondContact O-N 3.19Å; Y529-T531 PolarHBondContact O-N 2.91Å; Y529-S532 PolarHBondContact O-N 3.22Å; Y529-E533 HydrophobicContact CD2-CB 4.27Å; Y529-E533 HydrophobicContact CD2-CG 3.63Å; Y529-E533 HydrophobicContact CE2-CB 4.18Å; Y529-E533 HydrophobicContact CE2-CG 3.12Å; Y529-E533 VanDerWaalsContact O-CB 3.28Å; Y529-E533 WeakPolarHBondContact O-CB 3.42Å; Y529-E533 PolarHBondContact O-N 2.81Å; Y529-Q573 HydrophobicContact CD2-CB 4.04Å; Y529-Q573 HydrophobicContact CD2-CG 4.42Å; Y529-Q573 HydrophobicContact CE2-CB 3.3Å; Y529-Q573 HydrophobicContact CE2-CG 4.14Å; Y529-Q573 VanDerWaalsContact CE2-OE1 3.3Å; Y529-Q573 PolarHBondContact OH-O 3.23Å |
| 530 | E | 93.6 | Very high | 94.9 | Very high | 51 Ų | 51 | 23.8 Ų | 23.8 | 24% | 0.238 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -50.6 | -40 | -178 | -174.4 | 177.8 | 174 | 0 | 0 | 113.2 | R373 R519 E526 M527 | R373-E530 PolarHBondContact NH1-O 2.84Å; R373-E530 PolarHBondContact NH2-O 2.83Å; R519-E530 IonicContact NH1-OE2 3.04Å; R519-E530 PolarHBondContact NH1-OE2 3.2Å; E526-E530 PolarHBondContact O-N 3.45Å; M527-E530 PolarHBondContact O-N 3.49Å |
| 531 | T | 96.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -92.1 | -20.1 | -173.3 | 59 | 0 | 0 | 0 | 0 | 115 | Y246 M366 L369 S370 R373 M527 Y529 | Y246-T531 HydrophobicContact CD2-CG2 4.05Å; Y246-T531 HydrophobicContact CG-CG2 4.47Å; M366-T531 HydrophobicContact CB-CG2 4.26Å; M366-T531 HydrophobicContact SD-CG2 4.13Å; L369-T531 CarbonylContact C-O 3.34Å; L369-T531 VanDerWaalsContact O-O 3.06Å; S370-T531 VanDerWaalsContact CA-O 3.23Å; S370-T531 WeakPolarHBondContact CA-O 3.3Å; S370-T531 PolarHBondContact N-O 3.46Å; R373-T531 VanDerWaalsContact CB-O 3.31Å; R373-T531 WeakPolarHBondContact CB-O 3.26Å; M527-T531 WeakPolarHBondContact O-CB 3.45Å; M527-T531 WeakPolarHBondContact O-CG2 3.42Å; M527-T531 PolarHBondContact O-N 3.37Å; M527-T531 PolarHBondContact O-OG1 3.14Å; Y529-T531 PolarHBondContact O-N 2.91Å |
| 532 | S | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -139.9 | 19.8 | -175.2 | 46.1 | 0 | 0 | 0 | 0 | 116.1 | R411 L528 Y529 | R411-S532 WeakPolarHBondContact CD-OG 3.43Å; R411-S532 PolarHBondContact NH1-OG 2.8Å; L528-S532 PolarHBondContact O-N 3.18Å; L528-S532 PolarHBondContact O-OG 3.03Å; Y529-S532 PolarHBondContact O-N 3.22Å |
| 533 | E | 90.3 | Very high | 94.4 | Very high | 19 Ų | 19 | 33 Ų | 33 | 9% | 0.089 | 15% | 0.148 | C | C | . | . | trans | -53.1 | 133.3 | 167 | -147.7 | -72.1 | 115.7 | 0 | 0 | 112.6 | R373 M377 Y529 S535 | R373-E533 WeakPolarHBondContact CG-O 3.32Å; M377-E533 WeakPolarHBondContact CE-O 3.31Å; Y529-E533 HydrophobicContact CD2-CB 4.27Å; Y529-E533 HydrophobicContact CD2-CG 3.63Å; Y529-E533 HydrophobicContact CE2-CB 4.18Å; Y529-E533 HydrophobicContact CE2-CG 3.12Å; Y529-E533 VanDerWaalsContact O-CB 3.28Å; Y529-E533 WeakPolarHBondContact O-CB 3.42Å; Y529-E533 PolarHBondContact O-N 2.81Å; E533-S535 VanDerWaalsContact OE1-CA 3.28Å; E533-S535 WeakPolarHBondContact OE1-CA 3.48Å; E533-S535 WeakPolarHBondContact OE1-CB 3.34Å; E533-S535 PolarHBondContact OE1-N 2.86Å; E533-S535 PolarHBondContact OE1-OG 3.05Å; E533-S535 PolarHBondContact OE2-N 3.12Å; E533-S535 PolarHBondContact OE2-OG 3.03Å | ||
| 534 | L | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -137.9 | 17.6 | -178.3 | -69.9 | 179.3 | 0 | 0 | 0 | 114.2 | R373 V376 L404 M407 I536 L537 V567 | R373-L534 HydrophobicContact CG-CD2 4.17Å; V376-L534 HydrophobicContact CB-CD2 3.93Å; V376-L534 HydrophobicContact CG1-CD2 3.66Å; L404-L534 HydrophobicContact CD2-CD1 3.49Å; L404-L534 VanDerWaalsContact CD2-CD1 3.49Å; M407-L534 HydrophobicContact CE-CD1 3.93Å; M407-L534 HydrophobicContact CE-CD2 4.42Å; M407-L534 HydrophobicContact CE-CG 4.28Å; M407-L534 HydrophobicContact SD-CD1 4.36Å; L534-I536 PolarHBondContact O-N 3.34Å; L534-L537 HydrophobicContact CB-CD1 4.22Å; L534-L537 WeakPolarHBondContact O-CB 3.5Å; L534-L537 PolarHBondContact O-N 3.46Å; L534-V567 HydrophobicContact CB-CG1 3.94Å; L534-V567 HydrophobicContact CD1-CG1 4.39Å; L534-V567 HydrophobicContact CD1-CG2 4.16Å | ||
| 535 | S | 93.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -17.4 | 178.6 | 65.7 | 0 | 0 | 0 | 0 | 114 | E533 L537 C538 F539 C574 | E533-S535 VanDerWaalsContact OE1-CA 3.28Å; E533-S535 WeakPolarHBondContact OE1-CA 3.48Å; E533-S535 WeakPolarHBondContact OE1-CB 3.34Å; E533-S535 PolarHBondContact OE1-N 2.86Å; E533-S535 PolarHBondContact OE1-OG 3.05Å; E533-S535 PolarHBondContact OE2-N 3.12Å; E533-S535 PolarHBondContact OE2-OG 3.03Å; S535-L537 PolarHBondContact O-N 3.09Å; S535-C538 WeakPolarHBondContact O-CB 3.46Å; S535-C538 PolarHBondContact O-N 3.3Å; S535-F539 WeakPolarHBondContact O-CD2 3.39Å; S535-C574 VanDerWaalsContact CB-CB 3.42Å; S535-C574 WeakPolarHBondContact OG-CB 3.37Å |
| 536 | I | 93 | Very high | 94.3 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 6% | 0.062 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -47.2 | -35.1 | 168.3 | -167.6 | 59.9 | 0 | 0 | 0 | 111.8 | R291 M377 V380 L534 C538 F539 Y540 | R291-I536 WeakPolarHBondContact O-CD1 3.33Å; M377-I536 HydrophobicContact CE-CG2 4.47Å; M377-I536 HydrophobicContact CG-CG2 4.16Å; V380-I536 HydrophobicContact CG1-CG1 4.29Å; L534-I536 PolarHBondContact O-N 3.34Å; I536-C538 PolarHBondContact O-N 3.48Å; I536-F539 PolarHBondContact O-N 3.06Å; I536-Y540 HydrophobicContact CD1-CD2 4.1Å; I536-Y540 HydrophobicContact CD1-CE2 3.8Å; I536-Y540 HydrophobicContact CG1-CD2 4Å; I536-Y540 HydrophobicContact CG1-CE2 4.05Å; I536-Y540 WeakPolarHBondContact O-CD2 3.44Å; I536-Y540 PolarHBondContact O-N 3.44Å |
| 537 | L | 95.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.8 | -24.3 | 179.4 | -68.2 | 165.5 | 0 | 0 | 0 | 113.2 | V380 L534 S535 F539 Y540 F544 M547 V567 F571 | V380-L537 HydrophobicContact CG2-CD2 3.53Å; V380-L537 HydrophobicContact CG2-CG 4.47Å; L534-L537 HydrophobicContact CB-CD1 4.22Å; L534-L537 WeakPolarHBondContact O-CB 3.5Å; L534-L537 PolarHBondContact O-N 3.46Å; S535-L537 PolarHBondContact O-N 3.09Å; L537-F539 PolarHBondContact O-N 3.3Å; L537-Y540 CarbonylContact O-C 3.42Å; L537-Y540 VanDerWaalsContact O-C 3.27Å; L537-Y540 PolarHBondContact O-N 3.47Å; L537-F544 HydrophobicContact CB-CB 4.34Å; L537-F544 HydrophobicContact CB-CD1 4.08Å; L537-F544 HydrophobicContact CB-CD2 4.24Å; L537-F544 HydrophobicContact CB-CE1 4.39Å; L537-F544 HydrophobicContact CB-CG 4Å; L537-F544 HydrophobicContact CD1-CD2 3.89Å; L537-F544 HydrophobicContact CD1-CE2 3.74Å; L537-F544 HydrophobicContact CD1-CG 4.49Å; L537-F544 HydrophobicContact CD1-CZ 4.24Å; L537-F544 HydrophobicContact CD2-CB 4.09Å; L537-F544 HydrophobicContact CD2-CD2 3.88Å; L537-F544 HydrophobicContact CD2-CG 4.13Å; L537-F544 HydrophobicContact CG-CD2 4.22Å; L537-F544 HydrophobicContact CG-CG 4.43Å; L537-M547 HydrophobicContact CD2-SD 4.43Å; L537-V567 HydrophobicContact CD1-CG1 3.81Å; L537-F571 HydrophobicContact CB-CE1 4.13Å; L537-F571 HydrophobicContact CB-CZ 3.83Å |
| 538 | C | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.1 | -29.7 | 172.5 | -167.2 | 0 | 0 | 0 | 0 | 112.6 | S535 I536 F571 R589 | S535-C538 WeakPolarHBondContact O-CB 3.46Å; S535-C538 PolarHBondContact O-N 3.3Å; I536-C538 PolarHBondContact O-N 3.48Å; C538-F571 HydrophobicContact CB-CB 4.32Å; C538-F571 HydrophobicContact CB-CD1 4.1Å; C538-F571 HydrophobicContact CB-CD2 3.39Å; C538-F571 HydrophobicContact CB-CE1 4.24Å; C538-F571 HydrophobicContact CB-CE2 3.56Å; C538-F571 HydrophobicContact CB-CG 3.69Å; C538-F571 HydrophobicContact CB-CZ 3.99Å; C538-F571 VanDerWaalsContact SG-CD2 3.58Å; C538-R589 WeakPolarHBondContact O-CD 3.33Å; C538-R589 PolarHBondContact O-NH1 3Å |
| 539 | F | 93 | Very high | 94.5 | Very high | 24 Ų | 24 | 31.8 Ų | 31.8 | 11% | 0.105 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -90.6 | -12.2 | 178.5 | -53.3 | -81.6 | 0 | 0 | 0 | 112.4 | R291 E292 S535 I536 L537 P541 C574 L586 | R291-F539 HydrophobicContact CB-CB 4.41Å; R291-F539 HydrophobicContact CB-CD1 4.05Å; R291-F539 HydrophobicContact CB-CD2 4.05Å; R291-F539 HydrophobicContact CB-CE1 4.37Å; R291-F539 HydrophobicContact CB-CE2 4.36Å; R291-F539 HydrophobicContact CB-CG 3.89Å; R291-F539 VanDerWaalsContact CD-CE1 3.45Å; R291-F539 HydrophobicContact CG-CD1 4.18Å; R291-F539 HydrophobicContact CG-CD2 4Å; R291-F539 HydrophobicContact CG-CE1 4Å; R291-F539 HydrophobicContact CG-CE2 3.8Å; R291-F539 HydrophobicContact CG-CG 4.19Å; R291-F539 HydrophobicContact CG-CZ 3.81Å; E292-F539 HydrophobicContact CB-CB 4.27Å; S535-F539 WeakPolarHBondContact O-CD2 3.39Å; I536-F539 PolarHBondContact O-N 3.06Å; L537-F539 PolarHBondContact O-N 3.3Å; F539-P541 WeakPolarHBondContact O-CD 3.29Å; F539-C574 HydrophobicContact CE2-CB 4.39Å; F539-L586 HydrophobicContact CE1-CD2 3.76Å; F539-L586 HydrophobicContact CZ-CD2 3.76Å |
| 540 | Y | 94 | Very high | 94.5 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 2% | 0.024 | 14% | 0.139 | C | C | . | . | trans | -120.9 | 55.6 | 175.9 | -70.8 | -85.7 | 0 | 0 | 0 | 112.5 | E292 V380 E384 I536 L537 R542 V543 F544 | E292-Y540 WeakPolarHBondContact CA-OH 3.5Å; E292-Y540 HydrophobicContact CB-CE1 4.43Å; E292-Y540 HydrophobicContact CB-CE2 3.89Å; E292-Y540 PolarHBondContact O-OH 3.33Å; V380-Y540 HydrophobicContact CG1-CD1 4.07Å; V380-Y540 HydrophobicContact CG1-CD2 3.37Å; V380-Y540 HydrophobicContact CG1-CE2 3.91Å; V380-Y540 HydrophobicContact CG1-CG 3.45Å; V380-Y540 VanDerWaalsContact CG1-CG 3.45Å; E384-Y540 HydrophobicContact CG-CD1 4.2Å; E384-Y540 HydrophobicContact CG-CE1 4.41Å; E384-Y540 WeakPolarHBondContact OE2-CD1 3.49Å; E384-Y540 VanDerWaalsContact OE2-CE1 3.25Å; E384-Y540 WeakPolarHBondContact OE2-CE1 3.25Å; I536-Y540 HydrophobicContact CD1-CD2 4.1Å; I536-Y540 HydrophobicContact CD1-CE2 3.8Å; I536-Y540 HydrophobicContact CG1-CD2 4Å; I536-Y540 HydrophobicContact CG1-CE2 4.05Å; I536-Y540 WeakPolarHBondContact O-CD2 3.44Å; I536-Y540 PolarHBondContact O-N 3.44Å; L537-Y540 CarbonylContact O-C 3.42Å; L537-Y540 VanDerWaalsContact O-C 3.27Å; L537-Y540 PolarHBondContact O-N 3.47Å; Y540-R542 VanDerWaalsContact C-N 3.25Å; Y540-R542 PolarHBondContact O-N 2.91Å; Y540-V543 HydrophobicContact CD1-CG2 4.13Å; Y540-V543 PolarHBondContact O-N 2.83Å; Y540-V543 VanDerWaalsContact O-N 3.14Å; Y540-F544 PolarHBondContact O-N 3.04Å | ||
| 541 | P | 93.6 | Very high | 94.5 | Very high | 27 Ų | 27 | 27.8 Ų | 27.8 | 18% | 0.175 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.1 | -34.7 | -173.8 | 24.4 | -34.5 | 0 | 0 | 0 | 112.7 | F539 F544 E545 L593 | F539-P541 WeakPolarHBondContact O-CD 3.29Å; P541-F544 PolarHBondContact O-N 3.44Å; P541-E545 WeakPolarHBondContact O-CB 3.17Å; P541-E545 VanDerWaalsContact O-CG 3.29Å; P541-E545 WeakPolarHBondContact O-CG 3.46Å; P541-E545 PolarHBondContact O-N 2.91Å; P541-L593 HydrophobicContact CB-CD1 4.37Å; P541-L593 HydrophobicContact CB-CD2 4.12Å |
| 542 | R | 93.5 | Very high | 94.4 | Very high | 198 Ų | 198 | 28.2 Ų | 28.2 | 75% | 0.747 | 13% | 0.131 | S | C | * | . | H | α-helix | trans | -65.1 | -42.7 | 178.5 | -68.5 | -179.1 | 177.4 | 172.7 | 0.1 | 112.5 | Y540 F544 K546 | Y540-R542 VanDerWaalsContact C-N 3.25Å; Y540-R542 PolarHBondContact O-N 2.91Å; R542-F544 VanDerWaalsContact C-N 3.34Å; R542-K546 VanDerWaalsContact O-CB 3.25Å; R542-K546 WeakPolarHBondContact O-CB 3.34Å; R542-K546 PolarHBondContact O-N 3.23Å |
| 543 | V | 93.7 | Very high | 94.2 | Very high | 9 Ų | 9 | 35.2 Ų | 35.2 | 6% | 0.055 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.6 | -44.5 | 175.4 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | S383 E384 Y540 K546 M547 | S383-V543 WeakPolarHBondContact OG-CG1 3.27Å; S383-V543 WeakPolarHBondContact OG-CG2 3.42Å; E384-V543 HydrophobicContact CG-CG2 3.31Å; E384-V543 WeakPolarHBondContact OE1-CG2 3.46Å; Y540-V543 HydrophobicContact CD1-CG2 4.13Å; Y540-V543 PolarHBondContact O-N 2.83Å; Y540-V543 VanDerWaalsContact O-N 3.14Å; V543-K546 WeakPolarHBondContact O-CB 3.18Å; V543-K546 PolarHBondContact O-N 2.76Å; V543-M547 HydrophobicContact CG1-CE 3.52Å; V543-M547 HydrophobicContact CG1-CG 4.42Å; V543-M547 HydrophobicContact CG1-SD 4.05Å; V543-M547 WeakPolarHBondContact O-CG 3.44Å; V543-M547 PolarHBondContact O-N 3.42Å |
| 544 | F | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.9 | -45.9 | -177 | -167.1 | -150.9 | 0 | 0 | 0 | 112.2 | L404 L537 Y540 P541 R542 K546 M547 F548 F564 V567 F571 L593 F597 | L404-F544 HydrophobicContact CD1-CE2 4.48Å; L537-F544 HydrophobicContact CB-CB 4.34Å; L537-F544 HydrophobicContact CB-CD1 4.08Å; L537-F544 HydrophobicContact CB-CD2 4.24Å; L537-F544 HydrophobicContact CB-CE1 4.39Å; L537-F544 HydrophobicContact CB-CG 4Å; L537-F544 HydrophobicContact CD1-CD2 3.89Å; L537-F544 HydrophobicContact CD1-CE2 3.74Å; L537-F544 HydrophobicContact CD1-CG 4.49Å; L537-F544 HydrophobicContact CD1-CZ 4.24Å; L537-F544 HydrophobicContact CD2-CB 4.09Å; L537-F544 HydrophobicContact CD2-CD2 3.88Å; L537-F544 HydrophobicContact CD2-CG 4.13Å; L537-F544 HydrophobicContact CG-CD2 4.22Å; L537-F544 HydrophobicContact CG-CG 4.43Å; Y540-F544 PolarHBondContact O-N 3.04Å; P541-F544 PolarHBondContact O-N 3.44Å; R542-F544 VanDerWaalsContact C-N 3.34Å; F544-K546 VanDerWaalsContact C-N 3.33Å; F544-K546 PolarHBondContact O-N 3.22Å; F544-M547 PolarHBondContact O-N 2.74Å; F544-F548 PolarHBondContact O-N 3.47Å; F544-F564 AromaticContact CD2-CD1 3.7Å; F544-F564 HydrophobicContact CD2-CD1 3.7Å; F544-F564 HydrophobicContact CD2-CE1 4.03Å; F544-F564 HydrophobicContact CE2-CB 4.35Å; F544-F564 AromaticContact CE2-CD1 3.27Å; F544-F564 HydrophobicContact CE2-CD1 3.27Å; F544-F564 AromaticContact CE2-CE1 3.9Å; F544-F564 HydrophobicContact CE2-CE1 3.9Å; F544-F564 HydrophobicContact CE2-CG 4.18Å; F544-F564 HydrophobicContact CZ-CB 4.25Å; F544-F564 AromaticContact CZ-CD1 3.99Å; F544-F564 HydrophobicContact CZ-CD1 3.99Å; F544-F564 WeakPolarHBondContact CZ-O 3.26Å; F544-V567 HydrophobicContact CZ-CB 4.15Å; F544-V567 HydrophobicContact CZ-CG1 4.03Å; F544-F571 HydrophobicContact CD1-CZ 4.31Å; F544-F571 HydrophobicContact CE1-CE2 4.39Å; F544-F571 AromaticContact CE1-CZ 3.87Å; F544-F571 HydrophobicContact CE1-CZ 3.87Å; F544-L593 HydrophobicContact CD1-CD1 4.49Å; F544-F597 AromaticContact CD1-CE2 3.71Å; F544-F597 HydrophobicContact CD1-CE2 3.71Å; F544-F597 AromaticContact CD1-CZ 3.85Å; F544-F597 HydrophobicContact CD1-CZ 3.85Å; F544-F597 HydrophobicContact CE1-CD2 4.49Å; F544-F597 AromaticContact CE1-CE2 3.46Å; F544-F597 HydrophobicContact CE1-CE2 3.46Å; F544-F597 VanDerWaalsContact CE1-CE2 3.46Å; F544-F597 HydrophobicContact CE1-CZ 4.06Å; F544-F597 HydrophobicContact CG-CE2 4.4Å; F544-F597 HydrophobicContact CG-CZ 4.17Å; F544-F597 AromaticContact CZ-CE2 3.96Å; F544-F597 HydrophobicContact CZ-CE2 3.96Å |
| 545 | E | 96.1 | Very high | 94.1 | Very high | 72 Ų | 72 | 41.3 Ų | 41.3 | 34% | 0.336 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 173.8 | -72.5 | 170.4 | -169.5 | 0 | 0 | 112.3 | P541 F548 T549 L593 F597 | P541-E545 WeakPolarHBondContact O-CB 3.17Å; P541-E545 VanDerWaalsContact O-CG 3.29Å; P541-E545 WeakPolarHBondContact O-CG 3.46Å; P541-E545 PolarHBondContact O-N 2.91Å; E545-F548 PolarHBondContact O-N 3.25Å; E545-T549 WeakPolarHBondContact O-CB 3.3Å; E545-T549 PolarHBondContact O-N 3.38Å; E545-T549 PolarHBondContact O-OG1 3.14Å; E545-L593 HydrophobicContact CG-CD2 4.14Å; E545-L593 WeakPolarHBondContact OE1-CD2 3.47Å; E545-F597 HydrophobicContact CG-CE1 4.16Å; E545-F597 HydrophobicContact CG-CZ 4.18Å |
| 546 | K | 94.3 | Very high | 93.9 | Very high | 93 Ų | 93 | 45 Ų | 45 | 40% | 0.404 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.8 | -46 | 174.6 | -174.7 | -173.3 | -179.1 | -167.4 | 0 | 111.6 | N396 R542 V543 F544 F548 T549 Q550 | N396-K546 PolarHBondContact OD1-NZ 3.4Å; R542-K546 VanDerWaalsContact O-CB 3.25Å; R542-K546 WeakPolarHBondContact O-CB 3.34Å; R542-K546 PolarHBondContact O-N 3.23Å; V543-K546 WeakPolarHBondContact O-CB 3.18Å; V543-K546 PolarHBondContact O-N 2.76Å; F544-K546 VanDerWaalsContact C-N 3.33Å; F544-K546 PolarHBondContact O-N 3.22Å; K546-F548 VanDerWaalsContact C-N 3.29Å; K546-F548 PolarHBondContact O-N 3.13Å; K546-T549 PolarHBondContact O-N 3.21Å; K546-Q550 HydrophobicContact CG-CG 4.46Å; K546-Q550 WeakPolarHBondContact O-CB 3.39Å; K546-Q550 WeakPolarHBondContact O-CG 3.49Å; K546-Q550 PolarHBondContact O-N 2.96Å |
| 547 | M | 95.6 | Very high | 94.1 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 4% | 0.044 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -41.5 | 175.7 | -73.2 | 170 | 173.7 | 0 | 0 | 111.4 | L379 V380 M400 L537 V543 F544 S551 F564 | L379-M547 HydrophobicContact CD2-CE 3.75Å; L379-M547 HydrophobicContact CG-CE 4.06Å; V380-M547 HydrophobicContact CG2-CE 4.09Å; M400-M547 HydrophobicContact CB-CB 4.48Å; M400-M547 HydrophobicContact CE-CE 4.41Å; M400-M547 HydrophobicContact CG-CG 4.44Å; M400-M547 HydrophobicContact CG-SD 4.02Å; L537-M547 HydrophobicContact CD2-SD 4.43Å; V543-M547 HydrophobicContact CG1-CE 3.52Å; V543-M547 HydrophobicContact CG1-CG 4.42Å; V543-M547 HydrophobicContact CG1-SD 4.05Å; V543-M547 WeakPolarHBondContact O-CG 3.44Å; V543-M547 PolarHBondContact O-N 3.42Å; F544-M547 PolarHBondContact O-N 2.74Å; M547-S551 WeakPolarHBondContact O-CB 3.42Å; M547-S551 PolarHBondContact O-N 3.31Å; M547-S551 PolarHBondContact O-OG 3.41Å; M547-F564 HydrophobicContact CB-CE1 3.77Å; M547-F564 HydrophobicContact CB-CZ 4.15Å |
| 548 | F | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.4 | -51.4 | 174.1 | 175.5 | -89.8 | 0 | 0 | 0 | 111.1 | F544 E545 K546 Q550 S551 S552 L561 F564 F597 Q600 I601 | F544-F548 PolarHBondContact O-N 3.47Å; E545-F548 PolarHBondContact O-N 3.25Å; K546-F548 VanDerWaalsContact C-N 3.29Å; K546-F548 PolarHBondContact O-N 3.13Å; F548-Q550 PolarHBondContact O-N 3.46Å; F548-S551 PolarHBondContact O-N 3.23Å; F548-S552 WeakPolarHBondContact O-CB 3.32Å; F548-S552 PolarHBondContact O-N 3.22Å; F548-L561 HydrophobicContact CD2-CD2 4.38Å; F548-L561 HydrophobicContact CE2-CB 4.23Å; F548-L561 HydrophobicContact CE2-CD2 4.16Å; F548-F564 HydrophobicContact CB-CD1 3.73Å; F548-F564 HydrophobicContact CB-CD2 4.46Å; F548-F564 HydrophobicContact CB-CE1 3.82Å; F548-F564 HydrophobicContact CB-CE2 4.48Å; F548-F564 HydrophobicContact CB-CG 4.11Å; F548-F564 HydrophobicContact CB-CZ 4.21Å; F548-F564 HydrophobicContact CD2-CB 3.9Å; F548-F564 HydrophobicContact CD2-CD1 4.21Å; F548-F564 AromaticContact CD2-CD2 3.71Å; F548-F564 HydrophobicContact CD2-CD2 3.71Å; F548-F564 HydrophobicContact CD2-CE2 4.26Å; F548-F564 AromaticContact CD2-CG 3.68Å; F548-F564 HydrophobicContact CD2-CG 3.68Å; F548-F564 HydrophobicContact CG-CD1 4.49Å; F548-F564 HydrophobicContact CG-CG 4.39Å; F548-F564 VanDerWaalsContact N-CE1 3.28Å; F548-F597 HydrophobicContact CB-CD1 3.89Å; F548-F597 HydrophobicContact CB-CE1 3.48Å; F548-F597 VanDerWaalsContact CB-CE1 3.48Å; F548-F597 HydrophobicContact CB-CZ 4.25Å; F548-F597 AromaticContact CD1-CD1 3.83Å; F548-F597 HydrophobicContact CD1-CD1 3.83Å; F548-F597 HydrophobicContact CD1-CE1 4.1Å; F548-F597 HydrophobicContact CD2-CB 4.41Å; F548-F597 AromaticContact CD2-CD1 3.54Å; F548-F597 HydrophobicContact CD2-CD1 3.54Å; F548-F597 HydrophobicContact CD2-CE1 4.05Å; F548-F597 HydrophobicContact CD2-CG 4.12Å; F548-F597 HydrophobicContact CE1-CD1 4.31Å; F548-F597 HydrophobicContact CE2-CB 4.2Å; F548-F597 HydrophobicContact CE2-CD1 4Å; F548-F597 HydrophobicContact CE2-CG 4.39Å; F548-F597 AromaticContact CG-CD1 3.43Å; F548-F597 HydrophobicContact CG-CD1 3.43Å; F548-F597 VanDerWaalsContact CG-CD1 3.43Å; F548-F597 AromaticContact CG-CE1 3.59Å; F548-F597 HydrophobicContact CG-CE1 3.59Å; F548-F597 HydrophobicContact CG-CG 4.43Å; F548-F597 HydrophobicContact CZ-CD1 4.37Å; F548-Q600 HydrophobicContact CE1-CB 3.88Å; F548-Q600 HydrophobicContact CZ-CB 3.96Å; F548-I601 HydrophobicContact CE2-CD1 4.14Å; F548-I601 HydrophobicContact CE2-CG1 3.94Å; F548-I601 HydrophobicContact CZ-CG1 3.93Å |
| 549 | T | 95.7 | Very high | 94.1 | Very high | 59 Ų | 59 | 49.7 Ų | 49.7 | 36% | 0.362 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.2 | -50.1 | -176.7 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | E545 K546 S551 S552 E553 | E545-T549 WeakPolarHBondContact O-CB 3.3Å; E545-T549 PolarHBondContact O-N 3.38Å; E545-T549 PolarHBondContact O-OG1 3.14Å; K546-T549 PolarHBondContact O-N 3.21Å; T549-S551 PolarHBondContact O-N 3.3Å; T549-S552 WeakPolarHBondContact O-CB 3.46Å; T549-S552 PolarHBondContact O-N 3.29Å; T549-S552 PolarHBondContact O-OG 2.95Å; T549-E553 WeakPolarHBondContact O-CG 3.4Å; T549-E553 PolarHBondContact O-N 2.66Å |
| 550 | Q | 93.3 | Very high | 94.4 | Very high | 45 Ų | 45 | 48.9 Ų | 48.9 | 21% | 0.21 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 178.3 | -69.7 | 179 | -36.3 | 0 | 0 | 112.3 | N398 K546 F548 S552 E553 | N398-Q550 HydrophobicContact CB-CB 4.45Å; K546-Q550 HydrophobicContact CG-CG 4.46Å; K546-Q550 WeakPolarHBondContact O-CB 3.39Å; K546-Q550 WeakPolarHBondContact O-CG 3.49Å; K546-Q550 PolarHBondContact O-N 2.96Å; F548-Q550 PolarHBondContact O-N 3.46Å; Q550-S552 VanDerWaalsContact C-N 3.26Å; Q550-S552 PolarHBondContact O-N 2.79Å; Q550-E553 PolarHBondContact O-N 3.4Å |
| 551 | S | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.2 | -32.2 | 175.6 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | M547 F548 T549 E553 E554 M557 | M547-S551 WeakPolarHBondContact O-CB 3.42Å; M547-S551 PolarHBondContact O-N 3.31Å; M547-S551 PolarHBondContact O-OG 3.41Å; F548-S551 PolarHBondContact O-N 3.23Å; T549-S551 PolarHBondContact O-N 3.3Å; S551-E553 VanDerWaalsContact C-N 3.32Å; S551-E553 PolarHBondContact O-N 2.85Å; S551-E554 PolarHBondContact O-N 3.42Å; S551-M557 WeakPolarHBondContact O-CB 3.22Å |
| 552 | S | 93.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 8% | 0.077 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -74.4 | -22.7 | -178.2 | 83 | 0 | 0 | 0 | 0 | 113.3 | F548 T549 Q550 K558 | F548-S552 WeakPolarHBondContact O-CB 3.32Å; F548-S552 PolarHBondContact O-N 3.22Å; T549-S552 WeakPolarHBondContact O-CB 3.46Å; T549-S552 PolarHBondContact O-N 3.29Å; T549-S552 PolarHBondContact O-OG 2.95Å; Q550-S552 VanDerWaalsContact C-N 3.26Å; Q550-S552 PolarHBondContact O-N 2.79Å; S552-K558 PolarHBondContact O-NZ 3.1Å |
| 553 | E | 92.3 | Very high | 94.8 | Very high | 146 Ų | 146 | 37.9 Ų | 37.9 | 68% | 0.682 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -74.5 | -30.1 | 176 | -70.3 | 171.8 | 177.8 | 0 | 0 | 111.9 | T549 Q550 S551 | T549-E553 WeakPolarHBondContact O-CG 3.4Å; T549-E553 PolarHBondContact O-N 2.66Å; Q550-E553 PolarHBondContact O-N 3.4Å; S551-E553 VanDerWaalsContact C-N 3.32Å; S551-E553 PolarHBondContact O-N 2.85Å |
| 554 | E | 91.8 | Very high | 95 | Very high | 81 Ų | 81 | 37.4 Ų | 37.4 | 38% | 0.379 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -84.1 | 125.1 | -177.2 | -68.1 | -73.8 | -173.2 | 0 | 0 | 112.6 | N398 S551 T556 M557 K558 | N398-E554 HydrophobicContact CB-CG 4.33Å; N398-E554 PolarHBondContact ND2-OE1 2.9Å; S551-E554 PolarHBondContact O-N 3.42Å; E554-T556 PolarHBondContact O-N 3.4Å; E554-M557 HydrophobicContact CB-CB 3.98Å; E554-M557 HydrophobicContact CB-CG 3.83Å; E554-M557 PolarHBondContact O-N 3.3Å; E554-M557 VanDerWaalsContact O-N 3.12Å; E554-K558 PolarHBondContact O-N 3.49Å |
| 555 | M | 90.3 | Very high | 95.1 | Very high | 66 Ų | 66 | 37.4 Ų | 37.4 | 33% | 0.325 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -58.3 | -46 | -174.9 | -174.5 | 62.3 | 72.1 | 0 | 0 | 113 | M557 K558 M676 | M555-M557 PolarHBondContact O-N 3.2Å; M555-K558 PolarHBondContact O-N 2.91Å; M555-K558 HydrophobicContact SD-CD 4.11Å; M555-M676 HydrophobicContact CE-CB 3.88Å; M555-M676 HydrophobicContact CE-CG 4.2Å; M555-M676 HydrophobicContact CE-SD 4.34Å; M555-M676 HydrophobicContact SD-CB 3.77Å; M555-M676 HydrophobicContact SD-CG 4.05Å |
| 556 | T | 90.9 | Very high | 95.1 | Very high | 86 Ų | 86 | 34.3 Ų | 34.3 | 53% | 0.528 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -70.9 | -14.4 | -177.3 | 54 | 0 | 0 | 0 | 0 | 113.4 | E554 | E554-T556 PolarHBondContact O-N 3.4Š|
| 557 | M | 95.3 | Very high | 95.2 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -94.1 | -15.8 | -178.8 | -66.3 | -60.3 | 122.1 | 0 | 0 | 112.6 | Q399 E402 S551 E554 M555 R559 Y560 | Q399-M557 HydrophobicContact CB-CE 4.2Å; Q399-M557 HydrophobicContact CB-SD 3.89Å; Q399-M557 HydrophobicContact CG-CE 3.92Å; Q399-M557 HydrophobicContact CG-SD 4.06Å; E402-M557 HydrophobicContact CB-CE 4.35Å; E402-M557 HydrophobicContact CB-SD 3.99Å; S551-M557 WeakPolarHBondContact O-CB 3.22Å; E554-M557 HydrophobicContact CB-CB 3.98Å; E554-M557 HydrophobicContact CB-CG 3.83Å; E554-M557 PolarHBondContact O-N 3.3Å; E554-M557 VanDerWaalsContact O-N 3.12Å; M555-M557 PolarHBondContact O-N 3.2Å; M557-R559 PolarHBondContact O-N 3.18Å; M557-Y560 HydrophobicContact CE-CD2 4.43Å; M557-Y560 HydrophobicContact CE-CE2 4.26Å; M557-Y560 PolarHBondContact O-N 2.99Å; M557-Y560 HydrophobicContact SD-CD2 3.98Å; M557-Y560 HydrophobicContact SD-CE2 4.39Å |
| 558 | K | 95.4 | Very high | 95.2 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 7% | 0.065 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -55 | -35.5 | 179.7 | -72.5 | -174.8 | -178 | -60.6 | 0 | 113.4 | S552 E554 M555 Y560 L561 M676 E679 L680 | S552-K558 PolarHBondContact O-NZ 3.1Å; E554-K558 PolarHBondContact O-N 3.49Å; M555-K558 PolarHBondContact O-N 2.91Å; M555-K558 HydrophobicContact SD-CD 4.11Å; K558-Y560 PolarHBondContact O-N 3.13Å; K558-L561 HydrophobicContact CB-CD1 4.46Å; K558-L561 HydrophobicContact CG-CD1 4.4Å; K558-L561 WeakPolarHBondContact O-CG 3.39Å; K558-L561 PolarHBondContact O-N 3.38Å; K558-M676 HydrophobicContact CD-CG 3.75Å; K558-M676 HydrophobicContact CD-SD 4.38Å; K558-E679 HydrophobicContact CB-CB 3.89Å; K558-L680 HydrophobicContact CB-CD2 3.88Å; K558-L680 HydrophobicContact CB-CG 4.1Å; K558-L680 HydrophobicContact CD-CD1 4.36Å; K558-L680 HydrophobicContact CD-CD2 4.06Å; K558-L680 HydrophobicContact CD-CG 3.97Å; K558-L680 HydrophobicContact CG-CD2 4.09Å; K558-L680 HydrophobicContact CG-CG 4.42Å |
| 559 | R | 96.1 | Very high | 95 | Very high | 91 Ų | 91 | 31 Ų | 31 | 34% | 0.343 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -64 | -16.8 | 174.6 | 62.9 | 177.8 | -54.4 | 150 | 5.7 | 115.9 | M557 E679 S683 | M557-R559 PolarHBondContact O-N 3.18Å; R559-E679 WeakPolarHBondContact CA-O 3.33Å; R559-E679 HydrophobicContact CB-CB 4.46Å; R559-E679 WeakPolarHBondContact CB-O 3.43Å; R559-E679 WeakPolarHBondContact CB-OE2 3.39Å; R559-E679 WeakPolarHBondContact CD-OE2 3.2Å; R559-E679 VanDerWaalsContact CG-OE2 3.3Å; R559-E679 WeakPolarHBondContact CG-OE2 3.37Å; R559-E679 PolarHBondContact N-O 2.85Å; R559-S683 VanDerWaalsContact O-CA 3.22Å; R559-S683 WeakPolarHBondContact O-CA 3.49Å; R559-S683 WeakPolarHBondContact O-CB 3.48Å |
| 560 | Y | 97.4 | Very high | 94.8 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 3% | 0.027 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -106.6 | -4.6 | -175.3 | -55.3 | -54.2 | 0 | 0 | 0 | 112.7 | K345 E402 Y405 F406 M557 K558 M562 S563 | K345-Y560 PolarHBondContact NZ-OH 2.99Å; E402-Y560 HydrophobicContact CB-CD2 3.56Å; E402-Y560 HydrophobicContact CB-CE2 3.57Å; E402-Y560 HydrophobicContact CB-CG 4.2Å; E402-Y560 HydrophobicContact CG-CD2 3.99Å; E402-Y560 HydrophobicContact CG-CE1 4.36Å; E402-Y560 HydrophobicContact CG-CE2 3.49Å; E402-Y560 VanDerWaalsContact CG-CE2 3.49Å; E402-Y560 PolarHBondContact OE1-OH 3.29Å; Y405-Y560 AromaticContact CD1-CD1 3.53Å; Y405-Y560 HydrophobicContact CD1-CD1 3.53Å; Y405-Y560 AromaticContact CD1-CE1 3.77Å; Y405-Y560 HydrophobicContact CD1-CE1 3.77Å; Y405-Y560 AromaticContact CD2-CD1 3.83Å; Y405-Y560 HydrophobicContact CD2-CD1 3.83Å; Y405-Y560 HydrophobicContact CE1-CD1 4.02Å; Y405-Y560 HydrophobicContact CE1-CE1 4.04Å; Y405-Y560 HydrophobicContact CE2-CD1 4.26Å; Y405-Y560 AromaticContact CG-CD1 3.43Å; Y405-Y560 HydrophobicContact CG-CD1 3.43Å; Y405-Y560 VanDerWaalsContact CG-CD1 3.43Å; Y405-Y560 HydrophobicContact CG-CE1 4.16Å; Y405-Y560 HydrophobicContact CG-CG 4.25Å; F406-Y560 HydrophobicContact CE2-CE1 4.28Å; F406-Y560 HydrophobicContact CZ-CE1 4.22Å; M557-Y560 HydrophobicContact CE-CD2 4.43Å; M557-Y560 HydrophobicContact CE-CE2 4.26Å; M557-Y560 PolarHBondContact O-N 2.99Å; M557-Y560 HydrophobicContact SD-CD2 3.98Å; M557-Y560 HydrophobicContact SD-CE2 4.39Å; K558-Y560 PolarHBondContact O-N 3.13Å; Y560-M562 PolarHBondContact O-N 3.44Å; Y560-S563 WeakPolarHBondContact O-CB 3.31Å; Y560-S563 PolarHBondContact O-N 3.09Å; Y560-S563 PolarHBondContact O-OG 3.39Å |
| 561 | L | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.3 | -172.4 | -66.2 | 177.7 | 0 | 0 | 0 | 114.7 | F548 K558 S563 F564 P565 I601 L680 | F548-L561 HydrophobicContact CD2-CD2 4.38Å; F548-L561 HydrophobicContact CE2-CB 4.23Å; F548-L561 HydrophobicContact CE2-CD2 4.16Å; K558-L561 HydrophobicContact CB-CD1 4.46Å; K558-L561 HydrophobicContact CG-CD1 4.4Å; K558-L561 WeakPolarHBondContact O-CG 3.39Å; K558-L561 PolarHBondContact O-N 3.38Å; L561-S563 PolarHBondContact O-N 2.85Å; L561-S563 VanDerWaalsContact O-N 3.15Å; L561-F564 HydrophobicContact CD2-CE2 4.44Å; L561-F564 WeakPolarHBondContact O-CD2 3.47Å; L561-F564 PolarHBondContact O-N 2.92Å; L561-P565 WeakPolarHBondContact O-CD 3.35Å; L561-I601 HydrophobicContact CB-CD1 3.93Å; L561-I601 HydrophobicContact CB-CG1 4.04Å; L561-L680 HydrophobicContact CD1-CD2 4.07Å |
| 562 | M | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.3 | 177.3 | -159.3 | 60.6 | 71.7 | 0 | 0 | 113.1 | Y560 F564 P565 S566 L598 I601 S683 Y684 L686 I690 P699 | Y560-M562 PolarHBondContact O-N 3.44Å; M562-F564 VanDerWaalsContact C-N 3.27Å; M562-F564 PolarHBondContact O-N 3.32Å; M562-P565 HydrophobicContact CG-CG 4.48Å; M562-P565 VanDerWaalsContact O-CD 3.29Å; M562-P565 WeakPolarHBondContact O-CD 3.41Å; M562-P565 WeakPolarHBondContact O-CG 3.5Å; M562-P565 HydrophobicContact SD-CG 3.72Å; M562-S566 WeakPolarHBondContact O-CB 3.34Å; M562-S566 PolarHBondContact O-N 3.02Å; M562-L598 HydrophobicContact CE-CD2 4.29Å; M562-L598 HydrophobicContact SD-CD2 3.61Å; M562-I601 HydrophobicContact CE-CD1 4.36Å; M562-I601 HydrophobicContact CE-CG2 4.34Å; M562-I601 HydrophobicContact SD-CD1 4.32Å; M562-S683 WeakPolarHBondContact CB-O 3.33Å; M562-S683 WeakPolarHBondContact CG-O 3.43Å; M562-Y684 HydrophobicContact CE-CD1 3.67Å; M562-Y684 HydrophobicContact CE-CD2 4.25Å; M562-Y684 HydrophobicContact CE-CE1 3.85Å; M562-Y684 HydrophobicContact CE-CE2 4.43Å; M562-Y684 HydrophobicContact CE-CG 3.89Å; M562-L686 HydrophobicContact CB-CB 4.01Å; M562-L686 HydrophobicContact CB-CD2 4.04Å; M562-L686 HydrophobicContact CG-CB 4Å; M562-L686 HydrophobicContact CG-CD2 4.27Å; M562-L686 WeakPolarHBondContact O-CD2 3.38Å; M562-I690 HydrophobicContact SD-CD1 4.5Å; M562-P699 HydrophobicContact CE-CB 3.87Å; M562-P699 HydrophobicContact CE-CG 4.41Å; M562-P699 HydrophobicContact SD-CB 4.09Å; M562-P699 HydrophobicContact SD-CG 4.04Å |
| 563 | S | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.9 | -31.6 | 174.6 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | A401 Y560 L561 S566 V567 | A401-S563 PolarHBondContact O-OG 3.31Å; Y560-S563 WeakPolarHBondContact O-CB 3.31Å; Y560-S563 PolarHBondContact O-N 3.09Å; Y560-S563 PolarHBondContact O-OG 3.39Å; L561-S563 PolarHBondContact O-N 2.85Å; L561-S563 VanDerWaalsContact O-N 3.15Å; S563-S566 PolarHBondContact O-N 3.38Å; S563-V567 VanDerWaalsContact O-CG2 3.26Å; S563-V567 WeakPolarHBondContact O-CG2 3.48Å; S563-V567 PolarHBondContact O-N 2.87Å |
| 564 | F | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.1 | -55.3 | 179.4 | -70.5 | -94.9 | 0 | 0 | 0 | 112.6 | A401 L404 F544 M547 F548 L561 M562 S566 V567 F597 | A401-F564 HydrophobicContact CB-CE2 3.67Å; A401-F564 HydrophobicContact CB-CZ 4.38Å; L404-F564 HydrophobicContact CD1-CD1 4.46Å; L404-F564 HydrophobicContact CD1-CE1 4.19Å; L404-F564 HydrophobicContact CD1-CZ 4.34Å; F544-F564 AromaticContact CD2-CD1 3.7Å; F544-F564 HydrophobicContact CD2-CD1 3.7Å; F544-F564 HydrophobicContact CD2-CE1 4.03Å; F544-F564 HydrophobicContact CE2-CB 4.35Å; F544-F564 AromaticContact CE2-CD1 3.27Å; F544-F564 HydrophobicContact CE2-CD1 3.27Å; F544-F564 AromaticContact CE2-CE1 3.9Å; F544-F564 HydrophobicContact CE2-CE1 3.9Å; F544-F564 HydrophobicContact CE2-CG 4.18Å; F544-F564 HydrophobicContact CZ-CB 4.25Å; F544-F564 AromaticContact CZ-CD1 3.99Å; F544-F564 HydrophobicContact CZ-CD1 3.99Å; F544-F564 WeakPolarHBondContact CZ-O 3.26Å; M547-F564 HydrophobicContact CB-CE1 3.77Å; M547-F564 HydrophobicContact CB-CZ 4.15Å; F548-F564 HydrophobicContact CB-CD1 3.73Å; F548-F564 HydrophobicContact CB-CD2 4.46Å; F548-F564 HydrophobicContact CB-CE1 3.82Å; F548-F564 HydrophobicContact CB-CE2 4.48Å; F548-F564 HydrophobicContact CB-CG 4.11Å; F548-F564 HydrophobicContact CB-CZ 4.21Å; F548-F564 HydrophobicContact CD2-CB 3.9Å; F548-F564 HydrophobicContact CD2-CD1 4.21Å; F548-F564 AromaticContact CD2-CD2 3.71Å; F548-F564 HydrophobicContact CD2-CD2 3.71Å; F548-F564 HydrophobicContact CD2-CE2 4.26Å; F548-F564 AromaticContact CD2-CG 3.68Å; F548-F564 HydrophobicContact CD2-CG 3.68Å; F548-F564 HydrophobicContact CG-CD1 4.49Å; F548-F564 HydrophobicContact CG-CG 4.39Å; F548-F564 VanDerWaalsContact N-CE1 3.28Å; L561-F564 HydrophobicContact CD2-CE2 4.44Å; L561-F564 WeakPolarHBondContact O-CD2 3.47Å; L561-F564 PolarHBondContact O-N 2.92Å; M562-F564 VanDerWaalsContact C-N 3.27Å; M562-F564 PolarHBondContact O-N 3.32Å; F564-S566 VanDerWaalsContact C-N 3.28Å; F564-S566 PolarHBondContact O-N 3.36Å; F564-V567 PolarHBondContact O-N 3.47Å; F564-F597 HydrophobicContact CB-CD2 3.9Å; F564-F597 HydrophobicContact CB-CE2 4.18Å; F564-F597 HydrophobicContact CB-CG 4.13Å |
| 565 | P | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.5 | -31 | 174.1 | 25 | -33.1 | 0 | 0 | 0 | 112.5 | L561 M562 V567 C568 F597 L598 I601 I690 | L561-P565 WeakPolarHBondContact O-CD 3.35Å; M562-P565 HydrophobicContact CG-CG 4.48Å; M562-P565 VanDerWaalsContact O-CD 3.29Å; M562-P565 WeakPolarHBondContact O-CD 3.41Å; M562-P565 WeakPolarHBondContact O-CG 3.5Å; M562-P565 HydrophobicContact SD-CG 3.72Å; P565-V567 PolarHBondContact O-N 3.5Å; P565-C568 VanDerWaalsContact O-CB 3.31Å; P565-C568 WeakPolarHBondContact O-CB 3.29Å; P565-C568 PolarHBondContact O-N 3.11Å; P565-F597 HydrophobicContact CB-CB 4.32Å; P565-F597 HydrophobicContact CG-CB 4.37Å; P565-L598 HydrophobicContact CB-CD2 3.97Å; P565-L598 HydrophobicContact CB-CG 3.91Å; P565-L598 HydrophobicContact CG-CD2 3.8Å; P565-L598 HydrophobicContact CG-CG 4.23Å; P565-I601 HydrophobicContact CG-CD1 4.26Å; P565-I690 HydrophobicContact CB-CD1 3.85Å; P565-I690 HydrophobicContact CG-CD1 4.22Å |
| 566 | S | 95.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 5% | 0.049 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 174.9 | -164.8 | 0 | 0 | 0 | 0 | 112.2 | E408 M562 S563 F564 C568 S569 | E408-S566 PolarHBondContact OE2-OG 2.99Å; M562-S566 WeakPolarHBondContact O-CB 3.34Å; M562-S566 PolarHBondContact O-N 3.02Å; S563-S566 PolarHBondContact O-N 3.38Å; F564-S566 VanDerWaalsContact C-N 3.28Å; F564-S566 PolarHBondContact O-N 3.36Å; S566-C568 PolarHBondContact O-N 3.35Å; S566-S569 VanDerWaalsContact O-CB 3.25Å; S566-S569 WeakPolarHBondContact O-CB 3.31Å; S566-S569 PolarHBondContact O-N 2.98Å; S566-S569 PolarHBondContact O-OG 3.31Å |
| 567 | V | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.2 | -25.4 | 179.4 | 166.1 | 0 | 0 | 0 | 0 | 112.6 | L404 E408 L534 L537 F544 S563 F564 P565 S569 H570 F571 | L404-V567 HydrophobicContact CD2-CG2 4.43Å; E408-V567 HydrophobicContact CG-CG2 4.45Å; L534-V567 HydrophobicContact CB-CG1 3.94Å; L534-V567 HydrophobicContact CD1-CG1 4.39Å; L534-V567 HydrophobicContact CD1-CG2 4.16Å; L537-V567 HydrophobicContact CD1-CG1 3.81Å; F544-V567 HydrophobicContact CZ-CB 4.15Å; F544-V567 HydrophobicContact CZ-CG1 4.03Å; S563-V567 VanDerWaalsContact O-CG2 3.26Å; S563-V567 WeakPolarHBondContact O-CG2 3.48Å; S563-V567 PolarHBondContact O-N 2.87Å; F564-V567 PolarHBondContact O-N 3.47Å; P565-V567 PolarHBondContact O-N 3.5Å; V567-S569 PolarHBondContact O-N 2.82Å; V567-S569 VanDerWaalsContact O-N 3.14Å; V567-H570 WeakPolarHBondContact O-CB 3.34Å; V567-H570 PolarHBondContact O-N 2.76Å; V567-F571 HydrophobicContact CG1-CE1 3.98Å; V567-F571 HydrophobicContact CG1-CZ 4.45Å; V567-F571 WeakPolarHBondContact O-CE1 3.21Å |
| 568 | C | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -60.2 | -22.5 | 173.5 | -63.1 | 0 | 0 | 0 | 0 | 112.9 | P565 S566 H570 F571 C594 V692 | P565-C568 VanDerWaalsContact O-CB 3.31Å; P565-C568 WeakPolarHBondContact O-CB 3.29Å; P565-C568 PolarHBondContact O-N 3.11Å; S566-C568 PolarHBondContact O-N 3.35Å; C568-H570 PolarHBondContact O-N 3.05Å; C568-F571 HydrophobicContact CB-CD2 4.48Å; C568-F571 HydrophobicContact CB-CE2 4.46Å; C568-F571 WeakPolarHBondContact O-CB 3.39Å; C568-F571 PolarHBondContact O-N 3.4Å; C568-C594 HydrophobicContact CB-CB 3.89Å; C568-V692 HydrophobicContact CB-CG2 4.31Å |
| 569 | S | 92.9 | Very high | 93.3 | Very high | 31 Ų | 31 | 24.1 Ų | 24.1 | 22% | 0.217 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -62.5 | -29.1 | 174.3 | 67.6 | 0 | 0 | 0 | 0 | 112.9 | S566 V567 F571 S572 M691 | S566-S569 VanDerWaalsContact O-CB 3.25Å; S566-S569 WeakPolarHBondContact O-CB 3.31Å; S566-S569 PolarHBondContact O-N 2.98Å; S566-S569 PolarHBondContact O-OG 3.31Å; V567-S569 PolarHBondContact O-N 2.82Å; V567-S569 VanDerWaalsContact O-N 3.14Å; S569-F571 PolarHBondContact O-N 2.99Å; S569-S572 PolarHBondContact O-OG 3.09Å; S569-M691 WeakPolarHBondContact CA-O 3.47Å; S569-M691 WeakPolarHBondContact CB-O 3.11Å |
| 570 | H | 91.8 | Very high | 93 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -69.1 | -21.7 | 179.9 | -60.2 | 179.5 | 0 | 0 | 0 | 112.1 | E408 R411 V567 C568 S572 Q573 | E408-H570 IonicContact OE1-CE1 3.97Å; E408-H570 PolarHBondContact OE1-CE1 3.39Å; E408-H570 IonicContact OE1-NE2 3.05Å; E408-H570 PolarHBondContact OE1-NE2 3.17Å; E408-H570 IonicContact OE2-NE2 2.64Å; R411-H570 VanDerWaalsContact CZ-NE2 3.32Å; R411-H570 PolarHBondContact NE-CE1 3.15Å; R411-H570 PolarHBondContact NE-NE2 3.42Å; R411-H570 VanDerWaalsContact NE-NE2 3.15Å; R411-H570 PolarHBondContact NH2-CD2 2.89Å; R411-H570 PolarHBondContact NH2-NE2 3.49Å; V567-H570 WeakPolarHBondContact O-CB 3.34Å; V567-H570 PolarHBondContact O-N 2.76Å; C568-H570 PolarHBondContact O-N 3.05Å; H570-S572 PolarHBondContact O-N 3.47Å; H570-Q573 WeakPolarHBondContact O-CB 3.44Å; H570-Q573 PolarHBondContact O-N 3.36Å |
| 571 | F | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -70.9 | -18.8 | -169.2 | -62.1 | 1.6 | 0 | 0 | 0 | 112.2 | L537 C538 F544 V567 C568 S569 Q573 C574 S590 L593 F693 | L537-F571 HydrophobicContact CB-CE1 4.13Å; L537-F571 HydrophobicContact CB-CZ 3.83Å; C538-F571 HydrophobicContact CB-CB 4.32Å; C538-F571 HydrophobicContact CB-CD1 4.1Å; C538-F571 HydrophobicContact CB-CD2 3.39Å; C538-F571 HydrophobicContact CB-CE1 4.24Å; C538-F571 HydrophobicContact CB-CE2 3.56Å; C538-F571 HydrophobicContact CB-CG 3.69Å; C538-F571 HydrophobicContact CB-CZ 3.99Å; C538-F571 VanDerWaalsContact SG-CD2 3.58Å; F544-F571 HydrophobicContact CD1-CZ 4.31Å; F544-F571 HydrophobicContact CE1-CE2 4.39Å; F544-F571 AromaticContact CE1-CZ 3.87Å; F544-F571 HydrophobicContact CE1-CZ 3.87Å; V567-F571 HydrophobicContact CG1-CE1 3.98Å; V567-F571 HydrophobicContact CG1-CZ 4.45Å; V567-F571 WeakPolarHBondContact O-CE1 3.21Å; C568-F571 HydrophobicContact CB-CD2 4.48Å; C568-F571 HydrophobicContact CB-CE2 4.46Å; C568-F571 WeakPolarHBondContact O-CB 3.39Å; C568-F571 PolarHBondContact O-N 3.4Å; S569-F571 PolarHBondContact O-N 2.99Å; F571-Q573 PolarHBondContact O-N 3.38Å; F571-C574 PolarHBondContact O-SG 3.15Å; F571-S590 WeakPolarHBondContact CB-OG 3.45Å; F571-S590 WeakPolarHBondContact CD2-OG 3.36Å; F571-L593 HydrophobicContact CE2-CD1 3.93Å; F571-F693 HydrophobicContact CB-CE2 4.39Å |
| 572 | S | 88.9 | Confident | 92.2 | Very high | 48 Ų | 48 | 27.2 Ų | 27.2 | 34% | 0.336 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -60.8 | -25.4 | 171.6 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | S569 H570 F693 | S569-S572 PolarHBondContact O-OG 3.09Å; H570-S572 PolarHBondContact O-N 3.47Å; S572-F693 VanDerWaalsContact CA-CZ 3.44Å |
| 573 | Q | 84.9 | Confident | 91.8 | Very high | 81 Ų | 81 | 29.9 Ų | 29.9 | 38% | 0.379 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -92.2 | -6.5 | -170 | -59.7 | 174.2 | -31.2 | 0 | 0 | 113.3 | Y529 H570 F571 | Y529-Q573 HydrophobicContact CD2-CB 4.04Å; Y529-Q573 HydrophobicContact CD2-CG 4.42Å; Y529-Q573 HydrophobicContact CE2-CB 3.3Å; Y529-Q573 HydrophobicContact CE2-CG 4.14Å; Y529-Q573 VanDerWaalsContact CE2-OE1 3.3Å; Y529-Q573 PolarHBondContact OH-O 3.23Å; H570-Q573 WeakPolarHBondContact O-CB 3.44Å; H570-Q573 PolarHBondContact O-N 3.36Å; F571-Q573 PolarHBondContact O-N 3.38Å |
| 574 | C | 87.6 | Confident | 91.5 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 10% | 0.095 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -90.4 | -3.3 | -176.4 | 76.7 | 0 | 0 | 0 | 0 | 115.6 | R291 S535 F539 F571 | R291-C574 PolarHBondContact NH2-O 3.44Å; S535-C574 VanDerWaalsContact CB-CB 3.42Å; S535-C574 WeakPolarHBondContact OG-CB 3.37Å; F539-C574 HydrophobicContact CE2-CB 4.39Å; F571-C574 PolarHBondContact O-SG 3.15Å |
| 575 | G | 86.6 | Confident | 91.1 | Very high | 29 Ų | 29 | 38.4 Ų | 38.4 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | trans | -74.5 | 159.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 576 | H | 91.4 | Very high | 90.8 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 12% | 0.12 | 22% | 0.223 | C | C | . | . | trans | -129.3 | 142 | 174.6 | -164.5 | -82.4 | 0 | 0 | 0 | 110.5 | E16 G20 I23 L578 C579 | E16-H576 PolarHBondContact O-NE2 3.25Å; G20-H576 VanDerWaalsContact CA-CE1 3.44Å; G20-H576 WeakPolarHBondContact CA-CE1 3.5Å; G20-H576 VanDerWaalsContact CA-ND1 3.3Å; G20-H576 WeakPolarHBondContact CA-ND1 3.03Å; I23-H576 HydrophobicContact CD1-CB 3.77Å; I23-H576 HydrophobicContact CG2-CB 4.34Å; H576-L578 WeakPolarHBondContact ND1-CB 3.44Å; H576-L578 PolarHBondContact ND1-N 3.47Å; H576-L578 VanDerWaalsContact ND1-N 3.15Å; H576-L578 PolarHBondContact O-N 3.11Å; H576-C579 CarbonylContact O-C 3.37Å; H576-C579 PolarHBondContact O-N 2.82Å | ||
| 577 | P | 91 | Very high | 90.7 | Very high | 110 Ų | 110 | 40.5 Ų | 40.5 | 71% | 0.714 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -17.4 | 177.1 | -27.8 | 35.3 | 0 | 0 | 0 | 115.7 | ||
| 578 | L | 89.9 | Confident | 90.6 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 31% | 0.309 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -3.7 | 177.6 | -63.7 | -178.8 | 0 | 0 | 0 | 113.3 | R17 H576 | R17-L578 VanDerWaalsContact NH1-CD1 3.29Å; H576-L578 WeakPolarHBondContact ND1-CB 3.44Å; H576-L578 PolarHBondContact ND1-N 3.47Å; H576-L578 VanDerWaalsContact ND1-N 3.15Å; H576-L578 PolarHBondContact O-N 3.11Å |
| 579 | C | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -138.7 | 67.4 | 170.5 | -163.5 | 0 | 0 | 0 | 0 | 109.6 | I23 R24 H576 E581 E582 | I23-C579 HydrophobicContact CG2-CB 3.91Å; R24-C579 WeakPolarHBondContact CD-SG 3.28Å; H576-C579 CarbonylContact O-C 3.37Å; H576-C579 PolarHBondContact O-N 2.82Å; C579-E581 VanDerWaalsContact C-OE2 3.28Å; C579-E581 VanDerWaalsContact CA-OE2 3.26Å; C579-E581 WeakPolarHBondContact CA-OE2 3.32Å; C579-E581 PolarHBondContact O-N 2.77Å; C579-E581 PolarHBondContact SG-OE2 3.2Å; C579-E581 VanDerWaalsContact SG-OE2 3.39Å; C579-E582 WeakPolarHBondContact O-CG 3.48Å | ||
| 580 | P | 90.8 | Very high | 90.5 | Very high | 82 Ų | 82 | 48.6 Ų | 48.6 | 53% | 0.532 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -66.7 | -19.4 | 178.3 | 29.2 | -35.9 | 0 | 0 | 0 | 112.9 | E582 T583 | P580-E582 VanDerWaalsContact C-N 3.25Å; P580-E582 PolarHBondContact O-N 3.5Å; P580-T583 WeakPolarHBondContact O-CB 3.36Å; P580-T583 PolarHBondContact O-N 3.31Å; P580-T583 PolarHBondContact O-OG1 3.05Å |
| 581 | E | 88.2 | Confident | 90.7 | Very high | 75 Ų | 75 | 50 Ų | 50 | 35% | 0.35 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -66.3 | -25.7 | -173.6 | -51.6 | 96.6 | 142 | 0 | 0 | 113.3 | R24 Y27 C579 | R24-E581 IonicContact CZ-OE1 3.27Å; R24-E581 IonicContact NE-OE1 3.6Å; R24-E581 PolarHBondContact NE-OE1 2.98Å; R24-E581 IonicContact NE-OE2 4Å; R24-E581 IonicContact NH2-OE1 2.75Å; R24-E581 PolarHBondContact NH2-OE1 3.03Å; Y27-E581 HydrophobicContact CE1-CB 3.99Å; C579-E581 VanDerWaalsContact C-OE2 3.28Å; C579-E581 VanDerWaalsContact CA-OE2 3.26Å; C579-E581 WeakPolarHBondContact CA-OE2 3.32Å; C579-E581 PolarHBondContact O-N 2.77Å; C579-E581 PolarHBondContact SG-OE2 3.2Å; C579-E581 VanDerWaalsContact SG-OE2 3.39Å |
| 582 | E | 88.8 | Confident | 90.8 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 3% | 0.033 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -86.2 | -15.4 | -179.9 | 71.1 | -170.8 | 175.9 | 0 | 0 | 113.7 | I23 Y27 R291 C579 P580 E584 I585 L586 | I23-E582 WeakPolarHBondContact CG2-OE1 3.25Å; Y27-E582 HydrophobicContact CD2-CB 3.94Å; Y27-E582 HydrophobicContact CE2-CB 4.02Å; R291-E582 IonicContact CZ-OE1 3.33Å; R291-E582 IonicContact CZ-OE2 3.74Å; R291-E582 VanDerWaalsContact CZ-OE2 3.31Å; R291-E582 IonicContact NH1-OE1 2.68Å; R291-E582 IonicContact NH1-OE2 2.63Å; R291-E582 PolarHBondContact NH1-OE2 3.41Å; R291-E582 IonicContact NH2-OE1 3.3Å; R291-E582 PolarHBondContact NH2-OE1 2.74Å; R291-E582 IonicContact NH2-OE2 3.78Å; R291-E582 PolarHBondContact NH2-OE2 2.91Å; C579-E582 WeakPolarHBondContact O-CG 3.48Å; P580-E582 VanDerWaalsContact C-N 3.25Å; P580-E582 PolarHBondContact O-N 3.5Å; E582-E584 VanDerWaalsContact C-N 3.34Å; E582-E584 PolarHBondContact O-N 3.37Å; E582-I585 WeakPolarHBondContact O-CA 3.19Å; E582-I585 WeakPolarHBondContact O-CB 3.35Å; E582-I585 PolarHBondContact O-N 2.75Å; E582-L586 HydrophobicContact CG-CD1 3.91Å; E582-L586 WeakPolarHBondContact O-CG 3.5Å; E582-L586 PolarHBondContact O-N 2.79Å |
| 583 | T | 89.7 | Confident | 91.2 | Very high | 55 Ų | 55 | 54.3 Ų | 54.3 | 34% | 0.337 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.2 | -46 | -174 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | P580 I585 L586 E587 F693 | P580-T583 WeakPolarHBondContact O-CB 3.36Å; P580-T583 PolarHBondContact O-N 3.31Å; P580-T583 PolarHBondContact O-OG1 3.05Å; T583-I585 VanDerWaalsContact C-N 3.28Å; T583-I585 PolarHBondContact O-N 3.4Å; T583-L586 PolarHBondContact O-N 2.97Å; T583-E587 WeakPolarHBondContact O-CB 3.09Å; T583-E587 PolarHBondContact O-N 3.32Å; T583-F693 HydrophobicContact CG2-CE1 4.06Å |
| 584 | E | 89 | Confident | 91.8 | Very high | 114 Ų | 114 | 50.5 Ų | 50.5 | 53% | 0.533 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63 | -35.4 | 177.8 | -170.9 | -172.5 | 164.5 | 0 | 0 | 112 | E582 K588 | E582-E584 VanDerWaalsContact C-N 3.34Å; E582-E584 PolarHBondContact O-N 3.37Å; E584-K588 WeakPolarHBondContact O-CG 3.45Å; E584-K588 PolarHBondContact O-N 3.47Å; E584-K588 VanDerWaalsContact O-N 3.14Å; E584-K588 VanDerWaalsContact OE1-CE 3.31Å; E584-K588 WeakPolarHBondContact OE1-CE 3.47Å; E584-K588 IonicContact OE1-NZ 3.01Å; E584-K588 PolarHBondContact OE1-NZ 2.85Å |
| 585 | I | 89.4 | Confident | 92.2 | Very high | 65 Ų | 65 | 51.9 Ų | 51.9 | 33% | 0.333 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70 | -42.8 | 178.5 | -58.4 | 174.2 | 0 | 0 | 0 | 110 | Y27 E582 T583 R589 | Y27-I585 HydrophobicContact CE2-CD1 4.33Å; E582-I585 WeakPolarHBondContact O-CA 3.19Å; E582-I585 WeakPolarHBondContact O-CB 3.35Å; E582-I585 PolarHBondContact O-N 2.75Å; T583-I585 VanDerWaalsContact C-N 3.28Å; T583-I585 PolarHBondContact O-N 3.4Å; I585-R589 WeakPolarHBondContact O-CB 3.38Å; I585-R589 PolarHBondContact O-N 3Å; I585-R589 VanDerWaalsContact O-N 3.09Å |
| 586 | L | 91.9 | Very high | 92.8 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 177.6 | -68.2 | 172.1 | 0 | 0 | 0 | 111 | F539 E582 T583 R589 S590 F693 | F539-L586 HydrophobicContact CE1-CD2 3.76Å; F539-L586 HydrophobicContact CZ-CD2 3.76Å; E582-L586 HydrophobicContact CG-CD1 3.91Å; E582-L586 WeakPolarHBondContact O-CG 3.5Å; E582-L586 PolarHBondContact O-N 2.79Å; T583-L586 PolarHBondContact O-N 2.97Å; L586-R589 PolarHBondContact O-N 3.13Å; L586-S590 VanDerWaalsContact O-CB 3.3Å; L586-S590 WeakPolarHBondContact O-CB 3.32Å; L586-S590 PolarHBondContact O-N 3.41Å; L586-S590 PolarHBondContact O-OG 2.87Å; L586-F693 HydrophobicContact CB-CZ 3.95Å |
| 587 | E | 94.1 | Very high | 93.1 | Very high | 46 Ų | 46 | 51.1 Ų | 51.1 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.4 | -56.1 | 176.7 | -179.8 | 176.9 | -159.5 | 0 | 0 | 111.3 | T583 R589 S590 L591 F693 H695 | T583-E587 WeakPolarHBondContact O-CB 3.09Å; T583-E587 PolarHBondContact O-N 3.32Å; E587-R589 VanDerWaalsContact C-N 3.27Å; E587-R589 PolarHBondContact O-N 3.06Å; E587-S590 PolarHBondContact O-N 3.42Å; E587-S590 VanDerWaalsContact O-N 3.15Å; E587-L591 HydrophobicContact CG-CD1 3.96Å; E587-L591 WeakPolarHBondContact O-CG 3.38Å; E587-L591 PolarHBondContact O-N 3.45Å; E587-F693 HydrophobicContact CB-CD1 3.99Å; E587-F693 HydrophobicContact CB-CD2 4.24Å; E587-F693 HydrophobicContact CB-CE1 4.05Å; E587-F693 HydrophobicContact CB-CE2 4.31Å; E587-F693 HydrophobicContact CB-CG 4.08Å; E587-F693 HydrophobicContact CB-CZ 4.2Å; E587-F693 HydrophobicContact CG-CB 4.11Å; E587-F693 HydrophobicContact CG-CD1 4.25Å; E587-F693 HydrophobicContact CG-CD2 4.3Å; E587-F693 HydrophobicContact CG-CG 3.98Å; E587-H695 IonicContact OE1-CE1 2.65Å; E587-H695 PolarHBondContact OE1-CE1 3.05Å; E587-H695 IonicContact OE1-ND1 2.75Å; E587-H695 PolarHBondContact OE1-ND1 3.29Å |
| 588 | K | 92.9 | Very high | 93.4 | Very high | 125 Ų | 125 | 46 Ų | 46 | 54% | 0.543 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.5 | -39.7 | 178.9 | -72.4 | 176.9 | -173.8 | 170.1 | 0 | 112.4 | E584 R592 | E584-K588 WeakPolarHBondContact O-CG 3.45Å; E584-K588 PolarHBondContact O-N 3.47Å; E584-K588 VanDerWaalsContact O-N 3.14Å; E584-K588 VanDerWaalsContact OE1-CE 3.31Å; E584-K588 WeakPolarHBondContact OE1-CE 3.47Å; E584-K588 IonicContact OE1-NZ 3.01Å; E584-K588 PolarHBondContact OE1-NZ 2.85Å; K588-R592 WeakPolarHBondContact O-CB 3.44Å; K588-R592 PolarHBondContact O-N 3.31Å; K588-R592 VanDerWaalsContact O-N 3.08Å |
| 589 | R | 92.3 | Very high | 93.8 | Very high | 76 Ų | 76 | 48.3 Ų | 48.3 | 29% | 0.287 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.9 | -44 | 178.6 | -175.1 | 179.7 | -63.9 | 179.9 | 2.4 | 111.8 | C538 I585 L586 E587 R592 L593 | C538-R589 WeakPolarHBondContact O-CD 3.33Å; C538-R589 PolarHBondContact O-NH1 3Å; I585-R589 WeakPolarHBondContact O-CB 3.38Å; I585-R589 PolarHBondContact O-N 3Å; I585-R589 VanDerWaalsContact O-N 3.09Å; L586-R589 PolarHBondContact O-N 3.13Å; E587-R589 VanDerWaalsContact C-N 3.27Å; E587-R589 PolarHBondContact O-N 3.06Å; R589-R592 PolarHBondContact O-N 3.46Å; R589-L593 HydrophobicContact CG-CD1 4.32Å; R589-L593 WeakPolarHBondContact O-CG 3.19Å; R589-L593 PolarHBondContact O-N 3.27Å |
| 590 | S | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | -179.2 | -54.3 | 0 | 0 | 0 | 0 | 111 | F571 L586 E587 L593 C594 | F571-S590 WeakPolarHBondContact CB-OG 3.45Å; F571-S590 WeakPolarHBondContact CD2-OG 3.36Å; L586-S590 VanDerWaalsContact O-CB 3.3Å; L586-S590 WeakPolarHBondContact O-CB 3.32Å; L586-S590 PolarHBondContact O-N 3.41Å; L586-S590 PolarHBondContact O-OG 2.87Å; E587-S590 PolarHBondContact O-N 3.42Å; E587-S590 VanDerWaalsContact O-N 3.15Å; S590-L593 PolarHBondContact O-N 2.88Å; S590-C594 WeakPolarHBondContact O-CB 3.35Å; S590-C594 PolarHBondContact O-N 3.06Å |
| 591 | L | 95.7 | Very high | 94.4 | Very high | 31 Ų | 31 | 48 Ų | 48 | 16% | 0.162 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | 175.4 | -69 | 171.4 | 0 | 0 | 0 | 111.6 | E587 L593 C594 V595 V692 H695 | E587-L591 HydrophobicContact CG-CD1 3.96Å; E587-L591 WeakPolarHBondContact O-CG 3.38Å; E587-L591 PolarHBondContact O-N 3.45Å; L591-L593 VanDerWaalsContact C-N 3.34Å; L591-L593 PolarHBondContact O-N 3.26Å; L591-C594 PolarHBondContact O-N 3.12Å; L591-V595 WeakPolarHBondContact O-CB 3.46Å; L591-V595 WeakPolarHBondContact O-CG2 3.33Å; L591-V595 PolarHBondContact O-N 3.29Å; L591-V692 HydrophobicContact CD2-CB 3.82Å; L591-V692 HydrophobicContact CD2-CG1 3.74Å; L591-V692 HydrophobicContact CG-CG1 4.18Å; L591-H695 HydrophobicContact CD2-CB 3.68Å |
| 592 | R | 96.3 | Very high | 94.8 | Very high | 140 Ų | 140 | 44.5 Ų | 44.5 | 53% | 0.528 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.6 | -46 | 177.6 | -174.6 | -173.5 | 69.9 | -166.9 | 1.4 | 111.9 | K588 R589 T596 | K588-R592 WeakPolarHBondContact O-CB 3.44Å; K588-R592 PolarHBondContact O-N 3.31Å; K588-R592 VanDerWaalsContact O-N 3.08Å; R589-R592 PolarHBondContact O-N 3.46Å; R592-T596 VanDerWaalsContact O-CB 3.27Å; R592-T596 WeakPolarHBondContact O-CB 3.34Å; R592-T596 PolarHBondContact O-N 3.25Å; R592-T596 PolarHBondContact O-OG1 2.74Å |
| 593 | L | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -48.1 | 178.3 | -73.6 | 168.7 | 0 | 0 | 0 | 111.2 | P541 F544 E545 F571 R589 S590 L591 V595 T596 F597 | P541-L593 HydrophobicContact CB-CD1 4.37Å; P541-L593 HydrophobicContact CB-CD2 4.12Å; F544-L593 HydrophobicContact CD1-CD1 4.49Å; E545-L593 HydrophobicContact CG-CD2 4.14Å; E545-L593 WeakPolarHBondContact OE1-CD2 3.47Å; F571-L593 HydrophobicContact CE2-CD1 3.93Å; R589-L593 HydrophobicContact CG-CD1 4.32Å; R589-L593 WeakPolarHBondContact O-CG 3.19Å; R589-L593 PolarHBondContact O-N 3.27Å; S590-L593 PolarHBondContact O-N 2.88Å; L591-L593 VanDerWaalsContact C-N 3.34Å; L591-L593 PolarHBondContact O-N 3.26Å; L593-V595 PolarHBondContact O-N 3.02Å; L593-T596 PolarHBondContact O-N 3.3Å; L593-F597 HydrophobicContact CB-CE2 4.25Å; L593-F597 HydrophobicContact CD2-CZ 4.49Å; L593-F597 WeakPolarHBondContact O-CD2 3.46Å; L593-F597 WeakPolarHBondContact O-CG 3.43Å; L593-F597 PolarHBondContact O-N 3.09Å |
| 594 | C | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.2 | -52.6 | 177.9 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | C568 S590 L591 T596 F597 L598 V692 | C568-C594 HydrophobicContact CB-CB 3.89Å; S590-C594 WeakPolarHBondContact O-CB 3.35Å; S590-C594 PolarHBondContact O-N 3.06Å; L591-C594 PolarHBondContact O-N 3.12Å; C594-T596 PolarHBondContact O-N 2.94Å; C594-F597 PolarHBondContact O-N 2.92Å; C594-L598 WeakPolarHBondContact O-CG 3.48Å; C594-L598 PolarHBondContact O-N 2.98Å; C594-V692 HydrophobicContact CB-CG2 4.21Å |
| 595 | V | 97.1 | Very high | 95.9 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 177.9 | 168.1 | 0 | 0 | 0 | 0 | 111.3 | L591 L593 F597 L598 E599 F702 | L591-V595 WeakPolarHBondContact O-CB 3.46Å; L591-V595 WeakPolarHBondContact O-CG2 3.33Å; L591-V595 PolarHBondContact O-N 3.29Å; L593-V595 PolarHBondContact O-N 3.02Å; V595-F597 VanDerWaalsContact C-N 3.34Å; V595-F597 PolarHBondContact O-N 3.15Å; V595-L598 PolarHBondContact O-N 3.28Å; V595-E599 HydrophobicContact CG1-CG 4.18Å; V595-E599 WeakPolarHBondContact O-CB 3.32Å; V595-E599 WeakPolarHBondContact O-CG 3.28Å; V595-E599 PolarHBondContact O-N 3.42Å; V595-F702 HydrophobicContact CG1-CE1 4Å; V595-F702 HydrophobicContact CG1-CZ 4.5Å; V595-F702 HydrophobicContact CG2-CE1 4.49Å; V595-F702 HydrophobicContact CG2-CZ 4.18Å |
| 596 | T | 97.6 | Very high | 96.3 | Very high | 38 Ų | 38 | 42 Ų | 42 | 23% | 0.233 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | -179.8 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | R592 L593 C594 Q600 | R592-T596 VanDerWaalsContact O-CB 3.27Å; R592-T596 WeakPolarHBondContact O-CB 3.34Å; R592-T596 PolarHBondContact O-N 3.25Å; R592-T596 PolarHBondContact O-OG1 2.74Å; L593-T596 PolarHBondContact O-N 3.3Å; C594-T596 PolarHBondContact O-N 2.94Å; T596-Q600 VanDerWaalsContact O-CG 3.31Å; T596-Q600 WeakPolarHBondContact O-CG 3.44Å; T596-Q600 PolarHBondContact O-N 3.32Å; T596-Q600 VanDerWaalsContact O-N 3.14Å |
| 597 | F | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.7 | -43.3 | 176.9 | -63.3 | -44.6 | 0 | 0 | 0 | 112 | F544 E545 F548 F564 P565 L593 C594 V595 E599 Q600 I601 | F544-F597 AromaticContact CD1-CE2 3.71Å; F544-F597 HydrophobicContact CD1-CE2 3.71Å; F544-F597 AromaticContact CD1-CZ 3.85Å; F544-F597 HydrophobicContact CD1-CZ 3.85Å; F544-F597 HydrophobicContact CE1-CD2 4.49Å; F544-F597 AromaticContact CE1-CE2 3.46Å; F544-F597 HydrophobicContact CE1-CE2 3.46Å; F544-F597 VanDerWaalsContact CE1-CE2 3.46Å; F544-F597 HydrophobicContact CE1-CZ 4.06Å; F544-F597 HydrophobicContact CG-CE2 4.4Å; F544-F597 HydrophobicContact CG-CZ 4.17Å; F544-F597 AromaticContact CZ-CE2 3.96Å; F544-F597 HydrophobicContact CZ-CE2 3.96Å; E545-F597 HydrophobicContact CG-CE1 4.16Å; E545-F597 HydrophobicContact CG-CZ 4.18Å; F548-F597 HydrophobicContact CB-CD1 3.89Å; F548-F597 HydrophobicContact CB-CE1 3.48Å; F548-F597 VanDerWaalsContact CB-CE1 3.48Å; F548-F597 HydrophobicContact CB-CZ 4.25Å; F548-F597 AromaticContact CD1-CD1 3.83Å; F548-F597 HydrophobicContact CD1-CD1 3.83Å; F548-F597 HydrophobicContact CD1-CE1 4.1Å; F548-F597 HydrophobicContact CD2-CB 4.41Å; F548-F597 AromaticContact CD2-CD1 3.54Å; F548-F597 HydrophobicContact CD2-CD1 3.54Å; F548-F597 HydrophobicContact CD2-CE1 4.05Å; F548-F597 HydrophobicContact CD2-CG 4.12Å; F548-F597 HydrophobicContact CE1-CD1 4.31Å; F548-F597 HydrophobicContact CE2-CB 4.2Å; F548-F597 HydrophobicContact CE2-CD1 4Å; F548-F597 HydrophobicContact CE2-CG 4.39Å; F548-F597 AromaticContact CG-CD1 3.43Å; F548-F597 HydrophobicContact CG-CD1 3.43Å; F548-F597 VanDerWaalsContact CG-CD1 3.43Å; F548-F597 AromaticContact CG-CE1 3.59Å; F548-F597 HydrophobicContact CG-CE1 3.59Å; F548-F597 HydrophobicContact CG-CG 4.43Å; F548-F597 HydrophobicContact CZ-CD1 4.37Å; F564-F597 HydrophobicContact CB-CD2 3.9Å; F564-F597 HydrophobicContact CB-CE2 4.18Å; F564-F597 HydrophobicContact CB-CG 4.13Å; P565-F597 HydrophobicContact CB-CB 4.32Å; P565-F597 HydrophobicContact CG-CB 4.37Å; L593-F597 HydrophobicContact CB-CE2 4.25Å; L593-F597 HydrophobicContact CD2-CZ 4.49Å; L593-F597 WeakPolarHBondContact O-CD2 3.46Å; L593-F597 WeakPolarHBondContact O-CG 3.43Å; L593-F597 PolarHBondContact O-N 3.09Å; C594-F597 PolarHBondContact O-N 2.92Å; V595-F597 VanDerWaalsContact C-N 3.34Å; V595-F597 PolarHBondContact O-N 3.15Å; F597-E599 PolarHBondContact O-N 2.71Å; F597-Q600 PolarHBondContact O-N 3.07Å; F597-I601 VanDerWaalsContact O-CG1 3.28Å; F597-I601 WeakPolarHBondContact O-CG1 3.31Å; F597-I601 PolarHBondContact O-N 3.01Å |
| 598 | L | 98 | Very high | 96.6 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -42 | 179 | -70.2 | 174.6 | 0 | 0 | 0 | 112.3 | M562 P565 C594 V595 Q600 I601 A602 V697 P699 F702 | M562-L598 HydrophobicContact CE-CD2 4.29Å; M562-L598 HydrophobicContact SD-CD2 3.61Å; P565-L598 HydrophobicContact CB-CD2 3.97Å; P565-L598 HydrophobicContact CB-CG 3.91Å; P565-L598 HydrophobicContact CG-CD2 3.8Å; P565-L598 HydrophobicContact CG-CG 4.23Å; C594-L598 WeakPolarHBondContact O-CG 3.48Å; C594-L598 PolarHBondContact O-N 2.98Å; V595-L598 PolarHBondContact O-N 3.28Å; L598-Q600 VanDerWaalsContact C-N 3.33Å; L598-Q600 PolarHBondContact O-N 3.29Å; L598-I601 PolarHBondContact O-N 3.06Å; L598-A602 WeakPolarHBondContact O-CB 3.3Å; L598-A602 PolarHBondContact O-N 3.19Å; L598-V697 HydrophobicContact CD1-CG1 3.33Å; L598-P699 HydrophobicContact CD2-CB 3.75Å; L598-P699 HydrophobicContact CD2-CG 3.88Å; L598-F702 HydrophobicContact CB-CD1 4.28Å; L598-F702 HydrophobicContact CB-CD2 4.08Å; L598-F702 HydrophobicContact CB-CE2 4.34Å; L598-F702 HydrophobicContact CB-CG 4.07Å; L598-F702 HydrophobicContact CD1-CD2 4.07Å; L598-F702 HydrophobicContact CD1-CE2 3.77Å; L598-F702 HydrophobicContact CD1-CZ 4.29Å |
| 599 | E | 97.6 | Very high | 96.8 | Very high | 108 Ų | 108 | 35.9 Ų | 35.9 | 51% | 0.505 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 173.8 | -75.5 | 179.1 | 169.7 | 0 | 0 | 111.8 | V595 F597 K603 F702 | V595-E599 HydrophobicContact CG1-CG 4.18Å; V595-E599 WeakPolarHBondContact O-CB 3.32Å; V595-E599 WeakPolarHBondContact O-CG 3.28Å; V595-E599 PolarHBondContact O-N 3.42Å; F597-E599 PolarHBondContact O-N 2.71Å; E599-K603 WeakPolarHBondContact O-CB 3.49Å; E599-K603 PolarHBondContact O-N 2.88Å; E599-F702 HydrophobicContact CG-CD1 3.91Å; E599-F702 HydrophobicContact CG-CE1 4.18Å |
| 600 | Q | 97.5 | Very high | 97 | Very high | 76 Ų | 76 | 32.7 Ų | 32.7 | 36% | 0.355 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -68.3 | -41.7 | 177.8 | -71.5 | -179.2 | 15.6 | 0 | 0 | 112.2 | F548 T596 F597 L598 K603 Q604 | F548-Q600 HydrophobicContact CE1-CB 3.88Å; F548-Q600 HydrophobicContact CZ-CB 3.96Å; T596-Q600 VanDerWaalsContact O-CG 3.31Å; T596-Q600 WeakPolarHBondContact O-CG 3.44Å; T596-Q600 PolarHBondContact O-N 3.32Å; T596-Q600 VanDerWaalsContact O-N 3.14Å; F597-Q600 PolarHBondContact O-N 3.07Å; L598-Q600 VanDerWaalsContact C-N 3.33Å; L598-Q600 PolarHBondContact O-N 3.29Å; Q600-K603 PolarHBondContact O-N 3.17Å; Q600-Q604 WeakPolarHBondContact O-CG 3.25Å; Q600-Q604 PolarHBondContact O-N 3.38Å |
| 601 | I | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -45.5 | 174.7 | -64.4 | 166.6 | 0 | 0 | 0 | 110.4 | F548 L561 M562 P565 F597 L598 K603 Q604 T605 Y684 | F548-I601 HydrophobicContact CE2-CD1 4.14Å; F548-I601 HydrophobicContact CE2-CG1 3.94Å; F548-I601 HydrophobicContact CZ-CG1 3.93Å; L561-I601 HydrophobicContact CB-CD1 3.93Å; L561-I601 HydrophobicContact CB-CG1 4.04Å; M562-I601 HydrophobicContact CE-CD1 4.36Å; M562-I601 HydrophobicContact CE-CG2 4.34Å; M562-I601 HydrophobicContact SD-CD1 4.32Å; P565-I601 HydrophobicContact CG-CD1 4.26Å; F597-I601 VanDerWaalsContact O-CG1 3.28Å; F597-I601 WeakPolarHBondContact O-CG1 3.31Å; F597-I601 PolarHBondContact O-N 3.01Å; L598-I601 PolarHBondContact O-N 3.06Å; I601-K603 PolarHBondContact O-N 3.38Å; I601-Q604 PolarHBondContact O-N 3.46Å; I601-T605 WeakPolarHBondContact O-CB 3.27Å; I601-T605 PolarHBondContact O-N 3.04Å; I601-T605 PolarHBondContact O-OG1 3.08Å; I601-Y684 HydrophobicContact CG2-CE2 3.92Å |
| 602 | A | 97.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L598 T605 G606 F702 L703 | L598-A602 WeakPolarHBondContact O-CB 3.3Å; L598-A602 PolarHBondContact O-N 3.19Å; A602-T605 PolarHBondContact O-N 3.4Å; A602-G606 PolarHBondContact O-N 3.47Å; A602-F702 HydrophobicContact CB-CB 3.88Å; A602-L703 HydrophobicContact CB-CB 4.36Å |
| 603 | K | 97.4 | Very high | 97.1 | Very high | 140 Ų | 140 | 29.3 Ų | 29.3 | 61% | 0.609 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -64 | -43.5 | 176.4 | -177.6 | 177.2 | 178.9 | 179.8 | 0 | 112.3 | E599 Q600 I601 G607 | E599-K603 WeakPolarHBondContact O-CB 3.49Å; E599-K603 PolarHBondContact O-N 2.88Å; Q600-K603 PolarHBondContact O-N 3.17Å; I601-K603 PolarHBondContact O-N 3.38Å; K603-G607 PolarHBondContact O-N 2.83Å |
| 604 | Q | 96.4 | Very high | 97 | Very high | 49 Ų | 49 | 30.5 Ų | 30.5 | 23% | 0.229 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -49.6 | 175.4 | -72 | -173.8 | 41.2 | 0 | 0 | 110.8 | Q600 I601 G607 V608 L680 | Q600-Q604 WeakPolarHBondContact O-CG 3.25Å; Q600-Q604 PolarHBondContact O-N 3.38Å; I601-Q604 PolarHBondContact O-N 3.46Å; Q604-G607 PolarHBondContact O-N 3.19Å; Q604-V608 WeakPolarHBondContact O-CG2 3.38Å; Q604-V608 PolarHBondContact O-N 2.88Å; Q604-L680 HydrophobicContact CB-CD1 4.08Å; Q604-L680 HydrophobicContact CB-CD2 4.34Å |
| 605 | T | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -50.3 | -178.7 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | I601 A602 G607 V608 V609 L677 L680 Y684 L703 | I601-T605 WeakPolarHBondContact O-CB 3.27Å; I601-T605 PolarHBondContact O-N 3.04Å; I601-T605 PolarHBondContact O-OG1 3.08Å; A602-T605 PolarHBondContact O-N 3.4Å; T605-G607 VanDerWaalsContact C-N 3.35Å; T605-G607 PolarHBondContact O-N 3.4Å; T605-V608 PolarHBondContact O-N 3.34Å; T605-V609 WeakPolarHBondContact O-CG2 3.4Å; T605-V609 PolarHBondContact O-N 3.14Å; T605-L677 HydrophobicContact CG2-CD1 4.42Å; T605-L680 HydrophobicContact CG2-CB 4.49Å; T605-Y684 HydrophobicContact CG2-CE2 4.25Å; T605-L703 HydrophobicContact CG2-CD1 3.94Å; T605-L703 HydrophobicContact CG2-CD2 3.93Å |
| 606 | G | 96.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.7 | -38.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A602 V608 V609 L610 | A602-G606 PolarHBondContact O-N 3.47Å; G606-V608 PolarHBondContact O-N 3.33Å; G606-V609 PolarHBondContact O-N 2.83Å; G606-L610 WeakPolarHBondContact O-CB 3.37Å; G606-L610 WeakPolarHBondContact O-CG 3.46Å; G606-L610 PolarHBondContact O-N 3.12Å |
| 607 | G | 96.1 | Very high | 96.6 | Very high | 33 Ų | 33 | 36.7 Ų | 36.7 | 34% | 0.34 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.1 | -47.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K603 Q604 T605 L610 E611 | K603-G607 PolarHBondContact O-N 2.83Å; Q604-G607 PolarHBondContact O-N 3.19Å; T605-G607 VanDerWaalsContact C-N 3.35Å; T605-G607 PolarHBondContact O-N 3.4Å; G607-L610 PolarHBondContact O-N 3.4Å; G607-E611 WeakPolarHBondContact O-CB 3.12Å; G607-E611 PolarHBondContact O-N 2.95Å |
| 608 | V | 96.8 | Very high | 96.4 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 179 | 178 | 0 | 0 | 0 | 0 | 111.9 | Q604 T605 G606 L610 E611 I612 L673 M676 L677 L680 | Q604-V608 WeakPolarHBondContact O-CG2 3.38Å; Q604-V608 PolarHBondContact O-N 2.88Å; T605-V608 PolarHBondContact O-N 3.34Å; G606-V608 PolarHBondContact O-N 3.33Å; V608-L610 VanDerWaalsContact C-N 3.3Å; V608-L610 PolarHBondContact O-N 3.38Å; V608-E611 PolarHBondContact O-N 2.88Å; V608-I612 HydrophobicContact CG1-CD1 4.08Å; V608-I612 WeakPolarHBondContact O-CG1 3.43Å; V608-I612 PolarHBondContact O-N 3.2Å; V608-L673 HydrophobicContact CG1-CB 4.39Å; V608-L673 HydrophobicContact CG1-CD2 4.23Å; V608-L673 WeakPolarHBondContact CG1-O 3.44Å; V608-M676 HydrophobicContact CB-CE 4.35Å; V608-M676 HydrophobicContact CG1-CB 4.45Å; V608-M676 HydrophobicContact CG1-CE 4.08Å; V608-M676 HydrophobicContact CG2-CE 3.32Å; V608-M676 HydrophobicContact CG2-CG 3.93Å; V608-M676 HydrophobicContact CG2-SD 3.7Å; V608-L677 HydrophobicContact CG1-CB 3.94Å; V608-L680 HydrophobicContact CG2-CD1 4.2Å |
| 609 | V | 96.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.4 | -47.6 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | T605 G606 E611 I612 C613 L677 L707 M745 L748 | T605-V609 WeakPolarHBondContact O-CG2 3.4Å; T605-V609 PolarHBondContact O-N 3.14Å; G606-V609 PolarHBondContact O-N 2.83Å; V609-E611 PolarHBondContact O-N 3.31Å; V609-I612 WeakPolarHBondContact O-CB 3.33Å; V609-I612 PolarHBondContact O-N 2.67Å; V609-C613 PolarHBondContact O-N 2.92Å; V609-C613 PolarHBondContact O-SG 3.15Å; V609-L677 HydrophobicContact CG2-CD1 3.47Å; V609-L677 VanDerWaalsContact CG2-CD1 3.47Å; V609-L707 HydrophobicContact CB-CD2 4.37Å; V609-L707 HydrophobicContact CG1-CD2 4.26Å; V609-M745 HydrophobicContact CG1-CG 4.35Å; V609-L748 HydrophobicContact CG2-CD1 3.94Å; V609-L748 HydrophobicContact CG2-CD2 4.37Å |
| 610 | L | 96.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.6 | -31.7 | -177.7 | -66 | 170.4 | 0 | 0 | 0 | 112.7 | G606 G607 V608 C613 A614 L707 R710 I714 Y741 | G606-L610 WeakPolarHBondContact O-CB 3.37Å; G606-L610 WeakPolarHBondContact O-CG 3.46Å; G606-L610 PolarHBondContact O-N 3.12Å; G607-L610 PolarHBondContact O-N 3.4Å; V608-L610 VanDerWaalsContact C-N 3.3Å; V608-L610 PolarHBondContact O-N 3.38Å; L610-C613 WeakPolarHBondContact O-CB 3.12Å; L610-C613 PolarHBondContact O-N 2.7Å; L610-A614 PolarHBondContact O-N 3.46Å; L610-L707 HydrophobicContact CD1-CD2 4.3Å; L610-L707 HydrophobicContact CD2-CD2 4.29Å; L610-L707 HydrophobicContact CG-CD2 4.06Å; L610-R710 HydrophobicContact CD1-CB 3.41Å; L610-R710 VanDerWaalsContact CD1-CB 3.41Å; L610-R710 HydrophobicContact CD1-CG 4.2Å; L610-I714 HydrophobicContact CB-CD1 4.1Å; L610-I714 HydrophobicContact CD1-CD1 3.9Å; L610-I714 HydrophobicContact CD2-CD1 3.86Å; L610-I714 HydrophobicContact CG-CD1 4.16Å; L610-Y741 HydrophobicContact CD2-CD1 4.49Å; L610-Y741 HydrophobicContact CD2-CE1 4.32Å |
| 611 | E | 96.6 | Very high | 95.5 | Very high | 87 Ų | 87 | 38.8 Ų | 38.8 | 41% | 0.407 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.8 | -40.6 | 172.6 | -165.1 | 174.5 | 171.3 | 0 | 0 | 111.5 | G607 V608 V609 C613 A614 E615 L673 | G607-E611 WeakPolarHBondContact O-CB 3.12Å; G607-E611 PolarHBondContact O-N 2.95Å; V608-E611 PolarHBondContact O-N 2.88Å; V609-E611 PolarHBondContact O-N 3.31Å; E611-C613 VanDerWaalsContact C-N 3.33Å; E611-C613 PolarHBondContact O-N 2.73Å; E611-A614 WeakPolarHBondContact O-CB 3.42Å; E611-A614 PolarHBondContact O-N 2.96Å; E611-A614 VanDerWaalsContact O-N 3.15Å; E611-E615 PolarHBondContact O-N 3.43Å; E611-L673 HydrophobicContact CB-CD1 4.35Å; E611-L673 HydrophobicContact CB-CD2 4.22Å; E611-L673 HydrophobicContact CG-CD1 3.9Å; E611-L673 HydrophobicContact CG-CD2 4.05Å; E611-L673 WeakPolarHBondContact OE2-CD2 3.26Å |
| 612 | I | 96.5 | Very high | 95.2 | Very high | 13 Ų | 13 | 42.8 Ų | 42.8 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 170.8 | -69.4 | 167.5 | 0 | 0 | 0 | 110.3 | V608 V609 A614 E615 Q616 M670 L673 L677 | V608-I612 HydrophobicContact CG1-CD1 4.08Å; V608-I612 WeakPolarHBondContact O-CG1 3.43Å; V608-I612 PolarHBondContact O-N 3.2Å; V609-I612 WeakPolarHBondContact O-CB 3.33Å; V609-I612 PolarHBondContact O-N 2.67Å; I612-A614 VanDerWaalsContact C-N 3.28Å; I612-A614 PolarHBondContact O-N 3.39Å; I612-E615 PolarHBondContact O-N 2.65Å; I612-Q616 HydrophobicContact CG2-CG 4.36Å; I612-Q616 WeakPolarHBondContact O-CB 3.15Å; I612-Q616 VanDerWaalsContact O-CG 3.29Å; I612-Q616 WeakPolarHBondContact O-CG 3.31Å; I612-Q616 PolarHBondContact O-N 3.16Å; I612-M670 HydrophobicContact CG2-CE 4.31Å; I612-L673 HydrophobicContact CD1-CB 4.05Å; I612-L673 HydrophobicContact CG1-CB 3.65Å; I612-L673 HydrophobicContact CG1-CD1 4.11Å; I612-L673 HydrophobicContact CG1-CG 4.44Å; I612-L677 HydrophobicContact CD1-CB 4.16Å; I612-L677 HydrophobicContact CD1-CD2 3.75Å |
| 613 | C | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -38.1 | 175.5 | -65.3 | 0 | 0 | 0 | 0 | 112.4 | V609 L610 E611 R617 Y741 S744 M745 | V609-C613 PolarHBondContact O-N 2.92Å; V609-C613 PolarHBondContact O-SG 3.15Å; L610-C613 WeakPolarHBondContact O-CB 3.12Å; L610-C613 PolarHBondContact O-N 2.7Å; E611-C613 VanDerWaalsContact C-N 3.33Å; E611-C613 PolarHBondContact O-N 2.73Å; C613-R617 WeakPolarHBondContact O-CB 3.27Å; C613-R617 PolarHBondContact O-N 3.25Å; C613-Y741 HydrophobicContact CB-CD1 3.36Å; C613-Y741 HydrophobicContact CB-CD2 4.24Å; C613-Y741 HydrophobicContact CB-CE1 3.42Å; C613-Y741 VanDerWaalsContact CB-CE1 3.42Å; C613-Y741 HydrophobicContact CB-CE2 4.3Å; C613-Y741 HydrophobicContact CB-CG 3.8Å; C613-S744 VanDerWaalsContact SG-CB 3.52Å; C613-M745 VanDerWaalsContact SG-CG 3.57Å |
| 614 | A | 95.8 | Very high | 94.4 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.8 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L610 E611 I612 R617 N618 Y741 | L610-A614 PolarHBondContact O-N 3.46Å; E611-A614 WeakPolarHBondContact O-CB 3.42Å; E611-A614 PolarHBondContact O-N 2.96Å; E611-A614 VanDerWaalsContact O-N 3.15Å; I612-A614 VanDerWaalsContact C-N 3.28Å; I612-A614 PolarHBondContact O-N 3.39Å; A614-R617 WeakPolarHBondContact O-CB 3.45Å; A614-R617 PolarHBondContact O-N 3.18Å; A614-N618 VanDerWaalsContact O-CG 3.29Å; A614-N618 PolarHBondContact O-N 2.86Å; A614-N618 PolarHBondContact O-ND2 3.43Å; A614-Y741 WeakPolarHBondContact CA-OH 3.37Å; A614-Y741 WeakPolarHBondContact CB-OH 3.38Å |
| 615 | E | 94.9 | Very high | 94 | Very high | 61 Ų | 61 | 45.8 Ų | 45.8 | 29% | 0.285 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63 | -43.4 | 175.3 | -71.4 | -62.7 | 115.4 | 0 | 0 | 111.4 | E611 I612 R617 N618 L619 M670 L673 | E611-E615 PolarHBondContact O-N 3.43Å; I612-E615 PolarHBondContact O-N 2.65Å; E615-R617 VanDerWaalsContact C-N 3.32Å; E615-R617 PolarHBondContact O-N 2.89Å; E615-N618 WeakPolarHBondContact O-CB 3.48Å; E615-N618 PolarHBondContact O-N 2.84Å; E615-N618 VanDerWaalsContact O-N 3.11Å; E615-L619 WeakPolarHBondContact O-CG 3.32Å; E615-L619 PolarHBondContact O-N 2.96Å; E615-M670 HydrophobicContact CB-CE 4.22Å; E615-M670 HydrophobicContact CB-CG 4.44Å; E615-M670 HydrophobicContact CB-SD 3.41Å; E615-M670 WeakPolarHBondContact CB-SD 3.17Å; E615-M670 HydrophobicContact CG-SD 3.81Å; E615-L673 HydrophobicContact CG-CD1 4.2Å |
| 616 | Q | 93.9 | Very high | 93.3 | Very high | 65 Ų | 65 | 50 Ų | 50 | 30% | 0.304 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 175.2 | -69.7 | -64.3 | -13.1 | 0 | 0 | 112.2 | I612 N618 L619 N620 M670 S740 S744 | I612-Q616 HydrophobicContact CG2-CG 4.36Å; I612-Q616 WeakPolarHBondContact O-CB 3.15Å; I612-Q616 VanDerWaalsContact O-CG 3.29Å; I612-Q616 WeakPolarHBondContact O-CG 3.31Å; I612-Q616 PolarHBondContact O-N 3.16Å; Q616-N618 VanDerWaalsContact C-N 3.34Å; Q616-N618 PolarHBondContact O-N 2.95Å; Q616-L619 PolarHBondContact O-N 2.88Å; Q616-N620 WeakPolarHBondContact O-CB 3.31Å; Q616-N620 PolarHBondContact O-N 3.19Å; Q616-M670 HydrophobicContact CG-CE 4.24Å; Q616-M670 VanDerWaalsContact NE2-CE 3.26Å; Q616-S740 PolarHBondContact O-OG 3.41Å; Q616-S744 VanDerWaalsContact CB-OG 3.28Å; Q616-S744 WeakPolarHBondContact CB-OG 3.42Å; Q616-S744 WeakPolarHBondContact CG-OG 3.23Å |
| 617 | R | 94.3 | Very high | 92.9 | Very high | 85 Ų | 85 | 54 Ų | 54 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 171.8 | 179.3 | -154.2 | 172.4 | -163 | 3.8 | 111.1 | C613 A614 E615 L619 N620 D621 S740 Y741 | C613-R617 WeakPolarHBondContact O-CB 3.27Å; C613-R617 PolarHBondContact O-N 3.25Å; A614-R617 WeakPolarHBondContact O-CB 3.45Å; A614-R617 PolarHBondContact O-N 3.18Å; E615-R617 VanDerWaalsContact C-N 3.32Å; E615-R617 PolarHBondContact O-N 2.89Å; R617-L619 VanDerWaalsContact C-N 3.28Å; R617-L619 PolarHBondContact O-N 3.22Å; R617-N620 CarbonylContact O-C 3.05Å; R617-N620 PolarHBondContact O-N 3.23Å; R617-N620 VanDerWaalsContact O-N 3.14Å; R617-D621 PolarHBondContact O-N 3.44Å; R617-S740 WeakPolarHBondContact CA-OG 3.43Å; R617-S740 PolarHBondContact N-OG 3.21Å; R617-Y741 HydrophobicContact CB-CD2 4.23Å; R617-Y741 HydrophobicContact CB-CE2 3.9Å; R617-Y741 HydrophobicContact CG-CE2 4.36Å |
| 618 | N | 93.4 | Very high | 92.5 | Very high | 78 Ų | 78 | 55.5 Ų | 55.5 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.7 | -38.6 | 179.3 | -67.7 | -22.9 | 0 | 0 | 0 | 111.5 | A614 E615 Q616 Q622 | A614-N618 VanDerWaalsContact O-CG 3.29Å; A614-N618 PolarHBondContact O-N 2.86Å; A614-N618 PolarHBondContact O-ND2 3.43Å; E615-N618 WeakPolarHBondContact O-CB 3.48Å; E615-N618 PolarHBondContact O-N 2.84Å; E615-N618 VanDerWaalsContact O-N 3.11Å; Q616-N618 VanDerWaalsContact C-N 3.34Å; Q616-N618 PolarHBondContact O-N 2.95Å; N618-Q622 WeakPolarHBondContact O-CG 3.41Å; N618-Q622 PolarHBondContact O-N 3.34Å |
| 619 | L | 92.5 | Very high | 92 | Very high | 46 Ų | 46 | 57.7 Ų | 57.7 | 24% | 0.241 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 172.9 | -63.1 | 178 | 0 | 0 | 0 | 111.8 | E615 Q616 R617 D621 Q622 E658 | E615-L619 WeakPolarHBondContact O-CG 3.32Å; E615-L619 PolarHBondContact O-N 2.96Å; Q616-L619 PolarHBondContact O-N 2.88Å; R617-L619 VanDerWaalsContact C-N 3.28Å; R617-L619 PolarHBondContact O-N 3.22Å; L619-D621 PolarHBondContact O-N 3.01Å; L619-Q622 WeakPolarHBondContact O-CB 3.36Å; L619-Q622 PolarHBondContact O-N 2.99Å; L619-E658 HydrophobicContact CD1-CG 4.48Å; L619-E658 HydrophobicContact CD2-CG 3.86Å |
| 620 | N | 91.8 | Very high | 91.3 | Very high | 55 Ų | 55 | 62.6 Ų | 62.6 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.6 | -34.7 | 177.3 | -165.8 | 52.9 | 0 | 0 | 0 | 112.6 | Q616 R617 Q622 L623 A736 | Q616-N620 WeakPolarHBondContact O-CB 3.31Å; Q616-N620 PolarHBondContact O-N 3.19Å; R617-N620 CarbonylContact O-C 3.05Å; R617-N620 PolarHBondContact O-N 3.23Å; R617-N620 VanDerWaalsContact O-N 3.14Å; N620-Q622 VanDerWaalsContact C-N 3.26Å; N620-Q622 PolarHBondContact O-N 3.03Å; N620-L623 WeakPolarHBondContact O-CB 3.32Å; N620-L623 PolarHBondContact O-N 3.35Å; N620-L623 VanDerWaalsContact O-N 3.07Å; N620-A736 PolarHBondContact ND2-O 3.14Å |
| 621 | D | 90.9 | Very high | 90.8 | Very high | 53 Ų | 53 | 66.3 Ų | 66.3 | 28% | 0.283 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.9 | -37.6 | 174.7 | -178.7 | 88.1 | 0 | 0 | 0 | 111.4 | R617 L619 L623 L624 K626 H627 | R617-D621 PolarHBondContact O-N 3.44Å; L619-D621 PolarHBondContact O-N 3.01Å; D621-L623 PolarHBondContact O-N 2.92Å; D621-L623 VanDerWaalsContact O-N 3.11Å; D621-L624 HydrophobicContact CB-CD1 4.45Å; D621-L624 VanDerWaalsContact O-CB 3.29Å; D621-L624 WeakPolarHBondContact O-CB 3.3Å; D621-L624 WeakPolarHBondContact O-CG 3.07Å; D621-L624 PolarHBondContact O-N 3.47Å; D621-L624 WeakPolarHBondContact OD1-CD1 3.4Å; D621-K626 WeakPolarHBondContact OD1-CE 3.39Å; D621-K626 IonicContact OD1-NZ 2.83Å; D621-K626 PolarHBondContact OD1-NZ 3.48Å; D621-K626 IonicContact OD2-NZ 3.38Å; D621-H627 PolarHBondContact O-CD2 3.49Å; D621-H627 PolarHBondContact O-NE2 3.11Å; D621-H627 IonicContact OD2-CE1 3.7Å; D621-H627 IonicContact OD2-NE2 2.74Å; D621-H627 PolarHBondContact OD2-NE2 3.41Å |
| 622 | Q | 90.6 | Very high | 90.3 | Very high | 83 Ų | 83 | 67.7 Ų | 67.7 | 39% | 0.388 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -17.5 | 177.5 | -62.7 | 175.7 | 28.5 | 0 | 0 | 113.5 | N618 L619 N620 P655 | N618-Q622 WeakPolarHBondContact O-CG 3.41Å; N618-Q622 PolarHBondContact O-N 3.34Å; L619-Q622 WeakPolarHBondContact O-CB 3.36Å; L619-Q622 PolarHBondContact O-N 2.99Å; N620-Q622 VanDerWaalsContact C-N 3.26Å; N620-Q622 PolarHBondContact O-N 3.03Å; Q622-P655 HydrophobicContact CB-CG 4.18Å |
| 623 | L | 90.3 | Very high | 89.8 | Confident | 113 Ų | 113 | 69.8 Ų | 69.8 | 59% | 0.592 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -8.1 | 177.1 | -55.6 | 179.4 | 0 | 0 | 0 | 113.1 | N620 D621 P655 | N620-L623 WeakPolarHBondContact O-CB 3.32Å; N620-L623 PolarHBondContact O-N 3.35Å; N620-L623 VanDerWaalsContact O-N 3.07Å; D621-L623 PolarHBondContact O-N 2.92Å; D621-L623 VanDerWaalsContact O-N 3.11Å; L623-P655 HydrophobicContact CD2-CB 3.69Å; L623-P655 HydrophobicContact CD2-CG 4.03Å |
| 624 | L | 88 | Confident | 89 | Confident | 29 Ų | 29 | 71.3 Ų | 71.3 | 15% | 0.152 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -68.7 | 146.4 | -176.9 | -66.9 | 173.2 | 0 | 0 | 0 | 112.1 | D621 K626 H627 D733 A736 | D621-L624 HydrophobicContact CB-CD1 4.45Å; D621-L624 VanDerWaalsContact O-CB 3.29Å; D621-L624 WeakPolarHBondContact O-CB 3.3Å; D621-L624 WeakPolarHBondContact O-CG 3.07Å; D621-L624 PolarHBondContact O-N 3.47Å; D621-L624 WeakPolarHBondContact OD1-CD1 3.4Å; L624-K626 HydrophobicContact CB-CD 4.39Å; L624-K626 HydrophobicContact CB-CG 4.07Å; L624-K626 HydrophobicContact CD1-CD 4.43Å; L624-K626 PolarHBondContact O-N 3.25Å; L624-H627 PolarHBondContact O-N 3.39Å; L624-H627 VanDerWaalsContact O-N 3.08Å; L624-D733 WeakPolarHBondContact CD1-OD1 3.45Å; L624-A736 HydrophobicContact CD2-CB 4.4Å |
| 625 | P | 87.9 | Confident | 88.5 | Confident | 111 Ų | 111 | 72.7 Ų | 72.7 | 72% | 0.721 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -54.8 | -29 | -177.1 | -28.3 | 35.4 | 0 | 0 | 0 | 114.9 | H627 C628 | P625-H627 PolarHBondContact O-N 3.39Å; P625-C628 WeakPolarHBondContact O-CB 3.29Å; P625-C628 PolarHBondContact O-N 3.21Å |
| 626 | K | 84.1 | Confident | 87.9 | Confident | 90 Ų | 90 | 77.7 Ų | 77.7 | 39% | 0.391 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -54.9 | -33.2 | 178.4 | 66.4 | -169.1 | 179.8 | -163.3 | 0 | 113.1 | D621 L624 C628 A629 D733 | D621-K626 WeakPolarHBondContact OD1-CE 3.39Å; D621-K626 IonicContact OD1-NZ 2.83Å; D621-K626 PolarHBondContact OD1-NZ 3.48Å; D621-K626 IonicContact OD2-NZ 3.38Å; L624-K626 HydrophobicContact CB-CD 4.39Å; L624-K626 HydrophobicContact CB-CG 4.07Å; L624-K626 HydrophobicContact CD1-CD 4.43Å; L624-K626 PolarHBondContact O-N 3.25Å; K626-C628 VanDerWaalsContact C-N 3.25Å; K626-C628 PolarHBondContact O-N 2.99Å; K626-A629 PolarHBondContact O-N 3.37Å; K626-D733 IonicContact NZ-OD1 3.43Å |
| 627 | H | 86.9 | Confident | 87.2 | Confident | 82 Ų | 82 | 79.5 Ų | 79.5 | 38% | 0.38 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -76.7 | -9.4 | -179.9 | -62.2 | -64.5 | 0 | 0 | 0 | 113.6 | D621 L624 P625 | D621-H627 PolarHBondContact O-CD2 3.49Å; D621-H627 PolarHBondContact O-NE2 3.11Å; D621-H627 IonicContact OD2-CE1 3.7Å; D621-H627 IonicContact OD2-NE2 2.74Å; D621-H627 PolarHBondContact OD2-NE2 3.41Å; L624-H627 PolarHBondContact O-N 3.39Å; L624-H627 VanDerWaalsContact O-N 3.08Å; P625-H627 PolarHBondContact O-N 3.39Å |
| 628 | C | 87.4 | Confident | 86.3 | Confident | 66 Ų | 66 | 84.1 Ų | 84.1 | 45% | 0.446 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -83.9 | -9.4 | 176.6 | -65 | 0 | 0 | 0 | 0 | 113.8 | P625 K626 E630 S631 I632 | P625-C628 WeakPolarHBondContact O-CB 3.29Å; P625-C628 PolarHBondContact O-N 3.21Å; K626-C628 VanDerWaalsContact C-N 3.25Å; K626-C628 PolarHBondContact O-N 2.99Å; C628-E630 VanDerWaalsContact C-N 3.35Å; C628-E630 PolarHBondContact O-N 3.39Å; C628-S631 WeakPolarHBondContact O-CB 3.31Å; C628-S631 PolarHBondContact O-N 3.43Å; C628-S631 VanDerWaalsContact O-N 3.08Å; C628-I632 PolarHBondContact O-N 3.28Å |
| 629 | A | 86.6 | Confident | 85.5 | Confident | 54 Ų | 54 | 89.6 Ų | 89.6 | 45% | 0.446 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.9 | -40.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K626 S631 I632 S633 | K626-A629 PolarHBondContact O-N 3.37Å; A629-S631 VanDerWaalsContact C-N 3.34Å; A629-S631 PolarHBondContact O-N 2.96Å; A629-I632 PolarHBondContact O-N 3.49Å; A629-S633 WeakPolarHBondContact O-CB 3.47Å; A629-S633 PolarHBondContact O-N 3.36Å; A629-S633 PolarHBondContact O-OG 3.39Å |
| 630 | E | 82.9 | Confident | 84.7 | Confident | 108 Ų | 108 | 91.8 Ų | 91.8 | 51% | 0.505 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.1 | -70.7 | 172.8 | -163.9 | 0 | 0 | 111.2 | C628 S633 A634 K652 | C628-E630 VanDerWaalsContact C-N 3.35Å; C628-E630 PolarHBondContact O-N 3.39Å; E630-S633 PolarHBondContact O-N 3.05Å; E630-A634 VanDerWaalsContact O-CB 3.28Å; E630-A634 WeakPolarHBondContact O-CB 3.27Å; E630-A634 PolarHBondContact O-N 3.48Å; E630-K652 IonicContact OE1-NZ 3.15Å; E630-K652 PolarHBondContact OE1-NZ 2.88Å; E630-K652 IonicContact OE2-NZ 3.13Å |
| 631 | S | 84.5 | Confident | 83.6 | Confident | 87 Ų | 87 | 98.7 Ų | 98.7 | 61% | 0.608 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.5 | -42.6 | 179.2 | -69.6 | 0 | 0 | 0 | 0 | 112 | C628 A629 A635 | C628-S631 WeakPolarHBondContact O-CB 3.31Å; C628-S631 PolarHBondContact O-N 3.43Å; C628-S631 VanDerWaalsContact O-N 3.08Å; A629-S631 VanDerWaalsContact C-N 3.34Å; A629-S631 PolarHBondContact O-N 2.96Å; S631-A635 WeakPolarHBondContact O-CB 3.44Å; S631-A635 PolarHBondContact O-N 3.29Å |
| 632 | I | 87.3 | Confident | 82.2 | Confident | 116 Ų | 116 | 102 Ų | 102 | 60% | 0.595 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -45.4 | 176.2 | -64.4 | 172.6 | 0 | 0 | 0 | 110.4 | C628 A629 A635 R636 | C628-I632 PolarHBondContact O-N 3.28Å; A629-I632 PolarHBondContact O-N 3.49Å; I632-A635 PolarHBondContact O-N 2.82Å; I632-R636 PolarHBondContact O-N 2.97Å |
| 633 | S | 84.8 | Confident | 80.4 | Confident | 57 Ų | 57 | 103.8 Ų | 103.8 | 40% | 0.399 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 178.1 | -63.2 | 0 | 0 | 0 | 0 | 111.3 | A629 E630 A635 R636 Y637 | A629-S633 WeakPolarHBondContact O-CB 3.47Å; A629-S633 PolarHBondContact O-N 3.36Å; A629-S633 PolarHBondContact O-OG 3.39Å; E630-S633 PolarHBondContact O-N 3.05Å; S633-A635 VanDerWaalsContact C-N 3.35Å; S633-A635 PolarHBondContact O-N 3.08Å; S633-R636 PolarHBondContact O-N 3.05Å; S633-Y637 WeakPolarHBondContact O-CD2 3.44Å; S633-Y637 PolarHBondContact O-N 3.42Å |
| 634 | A | 81.1 | Confident | 78.8 | Confident | 33 Ų | 33 | 103.4 Ų | 103.4 | 27% | 0.273 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E630 Y637 R638 | E630-A634 VanDerWaalsContact O-CB 3.28Å; E630-A634 WeakPolarHBondContact O-CB 3.27Å; E630-A634 PolarHBondContact O-N 3.48Å; A634-Y637 PolarHBondContact O-N 2.95Å; A634-R638 WeakPolarHBondContact O-CB 3.46Å; A634-R638 VanDerWaalsContact O-CG 3.31Å; A634-R638 WeakPolarHBondContact O-CG 3.45Å; A634-R638 PolarHBondContact O-N 2.88Å |
| 635 | A | 83.8 | Confident | 77.1 | Confident | 54 Ų | 54 | 106.8 Ų | 106.8 | 45% | 0.446 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.5 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | S631 I632 S633 K639 | S631-A635 WeakPolarHBondContact O-CB 3.44Å; S631-A635 PolarHBondContact O-N 3.29Å; I632-A635 PolarHBondContact O-N 2.82Å; S633-A635 VanDerWaalsContact C-N 3.35Å; S633-A635 PolarHBondContact O-N 3.08Å; A635-K639 PolarHBondContact O-N 3.02Å; A635-K639 VanDerWaalsContact O-N 3.12Å |
| 636 | R | 82.5 | Confident | 75.4 | Confident | 167 Ų | 167 | 110.9 Ų | 110.9 | 63% | 0.63 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.2 | -45.9 | 176 | -170.5 | 179.7 | -177.3 | -178.7 | 3 | 111.9 | I632 S633 R638 K639 Q640 | I632-R636 PolarHBondContact O-N 2.97Å; S633-R636 PolarHBondContact O-N 3.05Å; R636-R638 PolarHBondContact O-N 3.19Å; R636-K639 PolarHBondContact O-N 3.17Å; R636-Q640 WeakPolarHBondContact O-CG 3.44Å; R636-Q640 PolarHBondContact O-N 2.87Å |
| 637 | Y | 79.1 | Confident | 73.5 | Confident | 103 Ų | 103 | 117.2 Ų | 117.2 | 40% | 0.404 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.2 | -41.7 | 177.2 | -76 | -60.9 | 0 | 0 | 0 | 112.2 | S633 A634 K639 Q640 K641 K642 | S633-Y637 WeakPolarHBondContact O-CD2 3.44Å; S633-Y637 PolarHBondContact O-N 3.42Å; A634-Y637 PolarHBondContact O-N 2.95Å; Y637-K639 VanDerWaalsContact C-N 3.35Å; Y637-K639 PolarHBondContact O-N 3.48Å; Y637-Q640 PolarHBondContact O-N 3.32Å; Y637-K641 PolarHBondContact O-N 3.47Å; Y637-K642 HydrophobicContact CD1-CB 4.07Å; Y637-K642 HydrophobicContact CD1-CD 4.35Å; Y637-K642 HydrophobicContact CE1-CD 4.38Å |
| 638 | R | 75.5 | Confident | 71.8 | Confident | 182 Ų | 182 | 116.9 Ų | 116.9 | 69% | 0.687 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.4 | -40.4 | 173.9 | -75.2 | 178.2 | -175.1 | -179.7 | 3.6 | 112.4 | A634 R636 | A634-R638 WeakPolarHBondContact O-CB 3.46Å; A634-R638 VanDerWaalsContact O-CG 3.31Å; A634-R638 WeakPolarHBondContact O-CG 3.45Å; A634-R638 PolarHBondContact O-N 2.88Å; R636-R638 PolarHBondContact O-N 3.19Å |
| 639 | K | 76.3 | Confident | 70.1 | Confident | 192 Ų | 192 | 121.8 Ų | 121.8 | 84% | 0.835 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.7 | -32.8 | 175 | -78.2 | -173.5 | 176.9 | -177.7 | 0 | 113.3 | A635 R636 Y637 | A635-K639 PolarHBondContact O-N 3.02Å; A635-K639 VanDerWaalsContact O-N 3.12Å; R636-K639 PolarHBondContact O-N 3.17Å; Y637-K639 VanDerWaalsContact C-N 3.35Å; Y637-K639 PolarHBondContact O-N 3.48Å |
| 640 | Q | 76.5 | Confident | 68.4 | Low | 92 Ų | 92 | 125.7 Ų | 125.7 | 43% | 0.43 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.1 | 3.9 | -177.4 | -69.3 | -174.5 | -1.5 | 0 | 0 | 114.8 | R636 Y637 K642 | R636-Q640 WeakPolarHBondContact O-CG 3.44Å; R636-Q640 PolarHBondContact O-N 2.87Å; Y637-Q640 PolarHBondContact O-N 3.32Å; Q640-K642 PolarHBondContact O-N 2.96Å |
| 641 | K | 68.6 | Low | 67.2 | Low | 201 Ų | 201 | 129.1 Ų | 129.1 | 87% | 0.874 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.8 | 25.5 | -176.4 | -63.5 | -175.1 | 178.7 | 179 | 0 | 114.5 | Y637 | Y637-K641 PolarHBondContact O-N 3.47Š|
| 642 | K | 60.9 | Low | 66.4 | Low | 121 Ų | 121 | 131.9 Ų | 131.9 | 53% | 0.526 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -81 | 146.9 | 171.4 | -77.2 | -177.8 | 176.4 | 178.7 | 0 | 109.4 | Y637 Q640 L644 | Y637-K642 HydrophobicContact CD1-CB 4.07Å; Y637-K642 HydrophobicContact CD1-CD 4.35Å; Y637-K642 HydrophobicContact CE1-CD 4.38Å; Q640-K642 PolarHBondContact O-N 2.96Å; K642-L644 PolarHBondContact O-N 3.03Å |
| 643 | P | 53.5 | Low | 65.8 | Low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 131.7 | 179 | 23.6 | -30.9 | 0 | 0 | 0 | 109.8 | ||
| 644 | L | 56.1 | Low | 65.9 | Low | 104 Ų | 104 | 139.4 Ų | 139.4 | 55% | 0.545 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 144.8 | 173.3 | -78.7 | 122.1 | 0 | 0 | 0 | 109.8 | K642 | K642-L644 PolarHBondContact O-N 3.03Š|
| 645 | P | 52.4 | Low | 66.4 | Low | 100 Ų | 100 | 141 Ų | 141 | 65% | 0.649 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 151.5 | 168.2 | 21 | -25.6 | 0 | 0 | 0 | 111 | ||
| 646 | K | 52 | Low | 66.7 | Low | 198 Ų | 198 | 140 Ų | 140 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 139.3 | -162.7 | -75.7 | 175.6 | 174 | 175 | 0 | 114.4 | G648 | K646-G648 PolarHBondContact O-N 3.31Å; K646-G648 VanDerWaalsContact O-N 3.13Å |
| 647 | K | 44.8 | Very low | 67.1 | Low | 223 Ų | 223 | 133.8 Ų | 133.8 | 97% | 0.97 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | 110.9 | 162.8 | -87.1 | 178.7 | 169.9 | 179.4 | 0 | 109.6 | ||
| 648 | G | 50.8 | Low | 67.7 | Low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 170.3 | -19.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K646 | K646-G648 PolarHBondContact O-N 3.31Å; K646-G648 VanDerWaalsContact O-N 3.13Å |
| 649 | E | 52.1 | Low | 68.5 | Low | 169 Ų | 169 | 128.5 Ų | 128.5 | 79% | 0.79 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -75.4 | 128.3 | 175 | -75.5 | 177.4 | 164.6 | 0 | 0 | 111.5 | Q651 | E649-Q651 PolarHBondContact O-N 2.66Š|
| 650 | V | 51.6 | Low | 69.3 | Low | 135 Ų | 135 | 125.7 Ų | 125.7 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | trans | -57.9 | 122.1 | 170.4 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | K652 | V650-K652 PolarHBondContact O-N 3.05Š| ||
| 651 | Q | 57.6 | Low | 70 | Confident | 180 Ų | 180 | 126.5 Ų | 126.5 | 84% | 0.841 | 66% | 0.655 | S | S | * | * | trans | -63 | 110.2 | -179.9 | -158 | 168.7 | 20.7 | 0 | 0 | 108.2 | E649 E653 | E649-Q651 PolarHBondContact O-N 2.66Å; Q651-E653 PolarHBondContact O-N 3.18Å | ||
| 652 | K | 66.4 | Low | 71.1 | Confident | 146 Ų | 146 | 127.1 Ų | 127.1 | 64% | 0.635 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 124.5 | 176 | -77.1 | 176.4 | 179.4 | 165.9 | 0 | 108.6 | E630 V650 | E630-K652 IonicContact OE1-NZ 3.15Å; E630-K652 PolarHBondContact OE1-NZ 2.88Å; E630-K652 IonicContact OE2-NZ 3.13Å; V650-K652 PolarHBondContact O-N 3.05Å |
| 653 | E | 75.1 | Confident | 72.6 | Confident | 155 Ų | 155 | 125.6 Ų | 125.6 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 144.3 | 176 | -68.2 | -171.8 | 157.7 | 0 | 0 | 109.5 | Q651 A657 | Q651-E653 PolarHBondContact O-N 3.18Å; E653-A657 HydrophobicContact CB-CB 4.1Å |
| 654 | K | 87.1 | Confident | 74.4 | Confident | 175 Ų | 175 | 130 Ų | 130 | 76% | 0.761 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 144.2 | 179.4 | -69.2 | -174.7 | 175.9 | -176.1 | 0 | 109.6 | G656 A657 | K654-G656 PolarHBondContact O-N 3.38Å; K654-A657 VanDerWaalsContact O-CB 3.25Å; K654-A657 WeakPolarHBondContact O-CB 3.25Å; K654-A657 PolarHBondContact O-N 3.35Å |
| 655 | P | 91.6 | Very high | 76.1 | Confident | 68 Ų | 68 | 129.1 Ų | 129.1 | 44% | 0.442 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -50.6 | 132.7 | 171.2 | -27 | 34.8 | 0 | 0 | 0 | 111.3 | Q622 L623 | Q622-P655 HydrophobicContact CB-CG 4.18Å; L623-P655 HydrophobicContact CD2-CB 3.69Å; L623-P655 HydrophobicContact CD2-CG 4.03Å |
| 656 | G | 91 | Very high | 77.9 | Confident | 33 Ų | 33 | 129 Ų | 129 | 34% | 0.34 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 102.8 | -17.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | K654 E658 S659 | K654-G656 PolarHBondContact O-N 3.38Å; G656-E658 VanDerWaalsContact C-N 3.31Å; G656-E658 VanDerWaalsContact CA-OE1 3.25Å; G656-E658 WeakPolarHBondContact CA-OE1 3.33Å; G656-E658 WeakPolarHBondContact CA-OE2 3.37Å; G656-E658 PolarHBondContact N-OE1 2.8Å; G656-E658 PolarHBondContact N-OE2 3.43Å; G656-E658 PolarHBondContact O-N 3.07Å; G656-S659 PolarHBondContact O-N 2.97Å |
| 657 | A | 91.1 | Very high | 79.7 | Confident | 35 Ų | 35 | 123 Ų | 123 | 29% | 0.289 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -64.9 | -35.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E653 K654 S659 L660 | E653-A657 HydrophobicContact CB-CB 4.1Å; K654-A657 VanDerWaalsContact O-CB 3.25Å; K654-A657 WeakPolarHBondContact O-CB 3.25Å; K654-A657 PolarHBondContact O-N 3.35Å; A657-S659 PolarHBondContact O-N 3.22Å; A657-L660 PolarHBondContact O-N 3.35Å; A657-L660 VanDerWaalsContact O-N 3.11Å |
| 658 | E | 90.5 | Very high | 82 | Confident | 86 Ų | 86 | 115 Ų | 115 | 40% | 0.402 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -61.7 | -23.7 | 176.4 | 74.9 | -60.8 | 141.4 | 0 | 0 | 113 | L619 G656 | L619-E658 HydrophobicContact CD1-CG 4.48Å; L619-E658 HydrophobicContact CD2-CG 3.86Å; G656-E658 VanDerWaalsContact C-N 3.31Å; G656-E658 VanDerWaalsContact CA-OE1 3.25Å; G656-E658 WeakPolarHBondContact CA-OE1 3.33Å; G656-E658 WeakPolarHBondContact CA-OE2 3.37Å; G656-E658 PolarHBondContact N-OE1 2.8Å; G656-E658 PolarHBondContact N-OE2 3.43Å; G656-E658 PolarHBondContact O-N 3.07Å |
| 659 | S | 93.2 | Very high | 84.1 | Confident | 88 Ų | 88 | 115 Ų | 115 | 62% | 0.615 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -90.3 | -11.4 | 179.7 | -61.8 | 0 | 0 | 0 | 0 | 113.3 | G656 A657 R661 | G656-S659 PolarHBondContact O-N 2.97Å; A657-S659 PolarHBondContact O-N 3.22Å; S659-R661 VanDerWaalsContact C-N 3.32Å; S659-R661 PolarHBondContact O-N 2.85Å |
| 660 | L | 91.7 | Very high | 86 | Confident | 134 Ų | 134 | 108.5 Ų | 108.5 | 70% | 0.702 | 56% | 0.558 | S | S | * | * | trans | -81.4 | 74.8 | 179.4 | -66.7 | 174.8 | 0 | 0 | 0 | 111.5 | A657 K662 | A657-L660 PolarHBondContact O-N 3.35Å; A657-L660 VanDerWaalsContact O-N 3.11Å; L660-K662 PolarHBondContact O-N 3.27Å | ||
| 661 | R | 91.2 | Very high | 88.1 | Confident | 109 Ų | 109 | 103.9 Ų | 103.9 | 41% | 0.411 | 53% | 0.529 | S | S | . | . | trans | -66.8 | 126.8 | 179.1 | -174.2 | 179.6 | -56.9 | -84.9 | -9.8 | 112.1 | S659 D663 V666 D671 | S659-R661 VanDerWaalsContact C-N 3.32Å; S659-R661 PolarHBondContact O-N 2.85Å; R661-D663 WeakPolarHBondContact CG-O 3.29Å; R661-V666 PolarHBondContact NH1-O 2.69Å; R661-D671 IonicContact CZ-OD1 3.77Å; R661-D671 IonicContact CZ-OD2 2.86Å; R661-D671 VanDerWaalsContact CZ-OD2 3.23Å; R661-D671 IonicContact NH1-OD1 3.8Å; R661-D671 IonicContact NH1-OD2 3.59Å; R661-D671 PolarHBondContact NH1-OD2 3.35Å; R661-D671 IonicContact NH2-OD1 3.83Å; R661-D671 PolarHBondContact NH2-OD1 3.03Å; R661-D671 IonicContact NH2-OD2 2.94Å; R661-D671 PolarHBondContact NH2-OD2 3.43Å | ||
| 662 | K | 91.8 | Very high | 89.8 | Confident | 213 Ų | 213 | 100.7 Ų | 100.7 | 93% | 0.926 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -92 | -39.9 | 173.6 | -64.1 | 177.4 | -177.5 | 172.4 | 0 | 113 | L660 | L660-K662 PolarHBondContact O-N 3.27Š|
| 663 | D | 92.2 | Very high | 91.2 | Very high | 89 Ų | 89 | 93.9 Ų | 93.9 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | trans | -145.7 | 144.4 | -178.2 | -170.5 | -10.2 | 0 | 0 | 0 | 110.1 | R661 S665 | R661-D663 WeakPolarHBondContact CG-O 3.29Å; D663-S665 PolarHBondContact OD1-N 2.83Å; D663-S665 PolarHBondContact OD1-OG 3.44Å; D663-S665 PolarHBondContact OD2-OG 3.14Å | ||
| 664 | R | 91.9 | Very high | 92.1 | Very high | 215 Ų | 215 | 89.7 Ų | 89.7 | 81% | 0.811 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -79.2 | -17.6 | 175.1 | -69.7 | -176.8 | -179.6 | -99.6 | 1.9 | 112.9 | V666 | R664-V666 PolarHBondContact O-N 3.19Š|
| 665 | S | 91.3 | Very high | 92.4 | Very high | 86 Ų | 86 | 86.4 Ų | 86.4 | 60% | 0.601 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -63.8 | -26.3 | 172.5 | 71.3 | 0 | 0 | 0 | 0 | 112.5 | D663 T667 | D663-S665 PolarHBondContact OD1-N 2.83Å; D663-S665 PolarHBondContact OD1-OG 3.44Å; D663-S665 PolarHBondContact OD2-OG 3.14Å; S665-T667 PolarHBondContact O-N 3.08Å |
| 666 | V | 90.4 | Very high | 92.6 | Very high | 96 Ų | 96 | 85 Ų | 85 | 58% | 0.582 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -86 | 96.2 | 174.6 | -175.8 | 0 | 0 | 0 | 0 | 109 | R661 R664 | R661-V666 PolarHBondContact NH1-O 2.69Å; R664-V666 PolarHBondContact O-N 3.19Å |
| 667 | T | 91.1 | Very high | 92.8 | Very high | 72 Ų | 72 | 83.8 Ų | 83.8 | 44% | 0.442 | 43% | 0.426 | S | S | . | . | trans | -82.6 | 114.6 | 178.7 | -42.8 | 0 | 0 | 0 | 0 | 111.1 | S665 D671 K672 | S665-T667 PolarHBondContact O-N 3.08Å; T667-D671 HydrophobicContact CG2-CB 3.62Å; T667-K672 HydrophobicContact CG2-CG 3.65Å | ||
| 668 | T | 93.4 | Very high | 93 | Very high | 56 Ų | 56 | 84.6 Ų | 84.6 | 34% | 0.344 | 43% | 0.427 | S | S | . | . | trans | -76.5 | 168.9 | 172.2 | 66.7 | 0 | 0 | 0 | 0 | 111.4 | M670 D671 K672 | T668-M670 VanDerWaalsContact C-N 3.3Å; T668-M670 PolarHBondContact O-N 3.4Å; T668-D671 WeakPolarHBondContact CB-OD2 3.27Å; T668-D671 PolarHBondContact N-OD2 3.45Å; T668-D671 WeakPolarHBondContact O-CB 3.19Å; T668-D671 PolarHBondContact O-N 3.25Å; T668-D671 PolarHBondContact OG1-N 2.95Å; T668-D671 VanDerWaalsContact OG1-N 3.09Å; T668-D671 PolarHBondContact OG1-OD2 3.37Å; T668-K672 PolarHBondContact O-N 2.98Å | ||
| 669 | N | 93.4 | Very high | 93.2 | Very high | 74 Ų | 74 | 82.5 Ų | 82.5 | 40% | 0.396 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 171.8 | -168.7 | 47.1 | 0 | 0 | 0 | 111.4 | D671 K672 L673 | N669-D671 VanDerWaalsContact C-N 3.27Å; N669-D671 PolarHBondContact O-N 3.03Å; N669-K672 WeakPolarHBondContact O-CB 3.41Å; N669-K672 PolarHBondContact O-N 3.5Å; N669-K672 VanDerWaalsContact O-N 3.09Å; N669-L673 WeakPolarHBondContact O-CG 3.37Å; N669-L673 PolarHBondContact O-N 3.32Å |
| 670 | M | 93.6 | Very high | 93.4 | Very high | 34 Ų | 34 | 78.3 Ų | 78.3 | 17% | 0.167 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.2 | -35.1 | 177.7 | -73.9 | -63.1 | -86.5 | 0 | 0 | 112.9 | I612 E615 Q616 T668 L673 H674 | I612-M670 HydrophobicContact CG2-CE 4.31Å; E615-M670 HydrophobicContact CB-CE 4.22Å; E615-M670 HydrophobicContact CB-CG 4.44Å; E615-M670 HydrophobicContact CB-SD 3.41Å; E615-M670 WeakPolarHBondContact CB-SD 3.17Å; E615-M670 HydrophobicContact CG-SD 3.81Å; Q616-M670 HydrophobicContact CG-CE 4.24Å; Q616-M670 VanDerWaalsContact NE2-CE 3.26Å; T668-M670 VanDerWaalsContact C-N 3.3Å; T668-M670 PolarHBondContact O-N 3.4Å; M670-L673 PolarHBondContact O-N 3.48Å; M670-L673 HydrophobicContact SD-CD1 4.23Å; M670-H674 WeakPolarHBondContact O-CB 3.47Å; M670-H674 PolarHBondContact O-N 3.49Å; M670-H674 PolarHBondContact O-ND1 3.04Å |
| 671 | D | 94 | Very high | 93.6 | Very high | 37 Ų | 37 | 72.1 Ų | 72.1 | 20% | 0.198 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 173.5 | -67.6 | -47.3 | 0 | 0 | 0 | 112 | R661 T667 T668 N669 L673 H674 M675 | R661-D671 IonicContact CZ-OD1 3.77Å; R661-D671 IonicContact CZ-OD2 2.86Å; R661-D671 VanDerWaalsContact CZ-OD2 3.23Å; R661-D671 IonicContact NH1-OD1 3.8Å; R661-D671 IonicContact NH1-OD2 3.59Å; R661-D671 PolarHBondContact NH1-OD2 3.35Å; R661-D671 IonicContact NH2-OD1 3.83Å; R661-D671 PolarHBondContact NH2-OD1 3.03Å; R661-D671 IonicContact NH2-OD2 2.94Å; R661-D671 PolarHBondContact NH2-OD2 3.43Å; T667-D671 HydrophobicContact CG2-CB 3.62Å; T668-D671 WeakPolarHBondContact CB-OD2 3.27Å; T668-D671 PolarHBondContact N-OD2 3.45Å; T668-D671 WeakPolarHBondContact O-CB 3.19Å; T668-D671 PolarHBondContact O-N 3.25Å; T668-D671 PolarHBondContact OG1-N 2.95Å; T668-D671 VanDerWaalsContact OG1-N 3.09Å; T668-D671 PolarHBondContact OG1-OD2 3.37Å; N669-D671 VanDerWaalsContact C-N 3.27Å; N669-D671 PolarHBondContact O-N 3.03Å; D671-L673 VanDerWaalsContact C-N 3.33Å; D671-L673 PolarHBondContact O-N 3.17Å; D671-H674 PolarHBondContact O-N 3.12Å; D671-M675 WeakPolarHBondContact O-CB 3.44Å; D671-M675 VanDerWaalsContact O-CG 3.3Å; D671-M675 WeakPolarHBondContact O-CG 3.45Å; D671-M675 PolarHBondContact O-N 2.99Å |
| 672 | K | 94.3 | Very high | 93.7 | Very high | 113 Ų | 113 | 68.9 Ų | 68.9 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 178.6 | -63.5 | 178.1 | -175.4 | 176.4 | 0 | 110.9 | T667 T668 N669 M676 | T667-K672 HydrophobicContact CG2-CG 3.65Å; T668-K672 PolarHBondContact O-N 2.98Å; N669-K672 WeakPolarHBondContact O-CB 3.41Å; N669-K672 PolarHBondContact O-N 3.5Å; N669-K672 VanDerWaalsContact O-N 3.09Å; K672-M676 VanDerWaalsContact O-CB 3.25Å; K672-M676 WeakPolarHBondContact O-CB 3.23Å; K672-M676 PolarHBondContact O-N 3.4Å |
| 673 | L | 95.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 178.4 | -66.9 | 174.2 | 0 | 0 | 0 | 112 | V608 E611 I612 E615 N669 M670 D671 M676 L677 | V608-L673 HydrophobicContact CG1-CB 4.39Å; V608-L673 HydrophobicContact CG1-CD2 4.23Å; V608-L673 WeakPolarHBondContact CG1-O 3.44Å; E611-L673 HydrophobicContact CB-CD1 4.35Å; E611-L673 HydrophobicContact CB-CD2 4.22Å; E611-L673 HydrophobicContact CG-CD1 3.9Å; E611-L673 HydrophobicContact CG-CD2 4.05Å; E611-L673 WeakPolarHBondContact OE2-CD2 3.26Å; I612-L673 HydrophobicContact CD1-CB 4.05Å; I612-L673 HydrophobicContact CG1-CB 3.65Å; I612-L673 HydrophobicContact CG1-CD1 4.11Å; I612-L673 HydrophobicContact CG1-CG 4.44Å; E615-L673 HydrophobicContact CG-CD1 4.2Å; N669-L673 WeakPolarHBondContact O-CG 3.37Å; N669-L673 PolarHBondContact O-N 3.32Å; M670-L673 PolarHBondContact O-N 3.48Å; M670-L673 HydrophobicContact SD-CD1 4.23Å; D671-L673 VanDerWaalsContact C-N 3.33Å; D671-L673 PolarHBondContact O-N 3.17Å; L673-M676 HydrophobicContact CD2-CE 3.87Å; L673-M676 PolarHBondContact O-N 3.26Å; L673-L677 WeakPolarHBondContact O-CB 3.35Å; L673-L677 PolarHBondContact O-N 2.96Å |
| 674 | H | 93.4 | Very high | 93.9 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 31% | 0.306 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 178.6 | -78.1 | 78.1 | 0 | 0 | 0 | 112.6 | M670 D671 L677 T678 | M670-H674 WeakPolarHBondContact O-CB 3.47Å; M670-H674 PolarHBondContact O-N 3.49Å; M670-H674 PolarHBondContact O-ND1 3.04Å; D671-H674 PolarHBondContact O-N 3.12Å; H674-L677 PolarHBondContact O-N 3.11Å; H674-T678 WeakPolarHBondContact O-CB 3.32Å; H674-T678 PolarHBondContact O-N 3.18Å; H674-T678 PolarHBondContact O-OG1 3.38Å |
| 675 | M | 93.9 | Very high | 93.8 | Very high | 107 Ų | 107 | 48.8 Ų | 48.8 | 53% | 0.527 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 172.6 | -75.2 | -178.4 | 66.3 | 0 | 0 | 110.6 | D671 L677 T678 E679 | D671-M675 WeakPolarHBondContact O-CB 3.44Å; D671-M675 VanDerWaalsContact O-CG 3.3Å; D671-M675 WeakPolarHBondContact O-CG 3.45Å; D671-M675 PolarHBondContact O-N 2.99Å; M675-L677 VanDerWaalsContact C-N 3.34Å; M675-L677 PolarHBondContact O-N 2.89Å; M675-T678 WeakPolarHBondContact O-CB 3.25Å; M675-T678 PolarHBondContact O-N 3.45Å; M675-E679 WeakPolarHBondContact O-CG 3.48Å; M675-E679 PolarHBondContact O-N 3.32Å |
| 676 | M | 95.4 | Very high | 93.7 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.4 | -41.2 | 179.1 | -173 | 168.2 | 37.3 | 0 | 0 | 112.6 | M555 K558 V608 K672 L673 E679 L680 | M555-M676 HydrophobicContact CE-CB 3.88Å; M555-M676 HydrophobicContact CE-CG 4.2Å; M555-M676 HydrophobicContact CE-SD 4.34Å; M555-M676 HydrophobicContact SD-CB 3.77Å; M555-M676 HydrophobicContact SD-CG 4.05Å; K558-M676 HydrophobicContact CD-CG 3.75Å; K558-M676 HydrophobicContact CD-SD 4.38Å; V608-M676 HydrophobicContact CB-CE 4.35Å; V608-M676 HydrophobicContact CG1-CB 4.45Å; V608-M676 HydrophobicContact CG1-CE 4.08Å; V608-M676 HydrophobicContact CG2-CE 3.32Å; V608-M676 HydrophobicContact CG2-CG 3.93Å; V608-M676 HydrophobicContact CG2-SD 3.7Å; K672-M676 VanDerWaalsContact O-CB 3.25Å; K672-M676 WeakPolarHBondContact O-CB 3.23Å; K672-M676 PolarHBondContact O-N 3.4Å; L673-M676 HydrophobicContact CD2-CE 3.87Å; L673-M676 PolarHBondContact O-N 3.26Å; M676-E679 PolarHBondContact O-N 2.99Å; M676-L680 HydrophobicContact CG-CD1 3.95Å; M676-L680 WeakPolarHBondContact O-CB 3.19Å; M676-L680 WeakPolarHBondContact O-CG 3.5Å; M676-L680 PolarHBondContact O-N 3.44Å |
| 677 | L | 95.7 | Very high | 93.5 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 174.4 | -178.2 | 64.6 | 0 | 0 | 0 | 110.8 | T605 V608 V609 I612 L673 H674 M675 E679 L680 C681 L748 Y751 | T605-L677 HydrophobicContact CG2-CD1 4.42Å; V608-L677 HydrophobicContact CG1-CB 3.94Å; V609-L677 HydrophobicContact CG2-CD1 3.47Å; V609-L677 VanDerWaalsContact CG2-CD1 3.47Å; I612-L677 HydrophobicContact CD1-CB 4.16Å; I612-L677 HydrophobicContact CD1-CD2 3.75Å; L673-L677 WeakPolarHBondContact O-CB 3.35Å; L673-L677 PolarHBondContact O-N 2.96Å; H674-L677 PolarHBondContact O-N 3.11Å; M675-L677 VanDerWaalsContact C-N 3.34Å; M675-L677 PolarHBondContact O-N 2.89Å; L677-E679 PolarHBondContact O-N 2.9Å; L677-L680 PolarHBondContact O-N 3.3Å; L677-C681 WeakPolarHBondContact CD1-SG 3.31Å; L677-C681 VanDerWaalsContact O-CB 3.23Å; L677-C681 WeakPolarHBondContact O-CB 3.43Å; L677-C681 PolarHBondContact O-N 2.92Å; L677-C681 PolarHBondContact O-SG 3.15Å; L677-L748 HydrophobicContact CD1-CD1 4.4Å; L677-Y751 HydrophobicContact CD2-CD2 4.18Å; L677-Y751 HydrophobicContact CD2-CE2 3.8Å |
| 678 | T | 95.3 | Very high | 93.4 | Very high | 52 Ų | 52 | 42.9 Ų | 42.9 | 32% | 0.319 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60 | -46.7 | -179.9 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | H674 M675 S682 Y751 | H674-T678 WeakPolarHBondContact O-CB 3.32Å; H674-T678 PolarHBondContact O-N 3.18Å; H674-T678 PolarHBondContact O-OG1 3.38Å; M675-T678 WeakPolarHBondContact O-CB 3.25Å; M675-T678 PolarHBondContact O-N 3.45Å; T678-S682 WeakPolarHBondContact O-CB 3.43Å; T678-S682 PolarHBondContact O-N 2.87Å; T678-S682 PolarHBondContact O-OG 2.71Å; T678-Y751 WeakPolarHBondContact OG1-CE1 3.36Å |
| 679 | E | 95.8 | Very high | 93.4 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 19% | 0.192 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.6 | -50.5 | 178.2 | -64.1 | -62.4 | 151.7 | 0 | 0 | 110.7 | K558 R559 M675 M676 L677 C681 S682 S683 | K558-E679 HydrophobicContact CB-CB 3.89Å; R559-E679 WeakPolarHBondContact CA-O 3.33Å; R559-E679 HydrophobicContact CB-CB 4.46Å; R559-E679 WeakPolarHBondContact CB-O 3.43Å; R559-E679 WeakPolarHBondContact CB-OE2 3.39Å; R559-E679 WeakPolarHBondContact CD-OE2 3.2Å; R559-E679 VanDerWaalsContact CG-OE2 3.3Å; R559-E679 WeakPolarHBondContact CG-OE2 3.37Å; R559-E679 PolarHBondContact N-O 2.85Å; M675-E679 WeakPolarHBondContact O-CG 3.48Å; M675-E679 PolarHBondContact O-N 3.32Å; M676-E679 PolarHBondContact O-N 2.99Å; L677-E679 PolarHBondContact O-N 2.9Å; E679-C681 PolarHBondContact O-N 3.48Å; E679-S682 WeakPolarHBondContact O-CB 3.45Å; E679-S682 PolarHBondContact O-N 3.44Å; E679-S683 PolarHBondContact O-N 3.35Å |
| 680 | L | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 179.2 | -74.9 | 169 | 0 | 0 | 0 | 112.5 | K558 L561 Q604 T605 V608 M676 L677 S682 S683 Y684 | K558-L680 HydrophobicContact CB-CD2 3.88Å; K558-L680 HydrophobicContact CB-CG 4.1Å; K558-L680 HydrophobicContact CD-CD1 4.36Å; K558-L680 HydrophobicContact CD-CD2 4.06Å; K558-L680 HydrophobicContact CD-CG 3.97Å; K558-L680 HydrophobicContact CG-CD2 4.09Å; K558-L680 HydrophobicContact CG-CG 4.42Å; L561-L680 HydrophobicContact CD1-CD2 4.07Å; Q604-L680 HydrophobicContact CB-CD1 4.08Å; Q604-L680 HydrophobicContact CB-CD2 4.34Å; T605-L680 HydrophobicContact CG2-CB 4.49Å; V608-L680 HydrophobicContact CG2-CD1 4.2Å; M676-L680 HydrophobicContact CG-CD1 3.95Å; M676-L680 WeakPolarHBondContact O-CB 3.19Å; M676-L680 WeakPolarHBondContact O-CG 3.5Å; M676-L680 PolarHBondContact O-N 3.44Å; L677-L680 PolarHBondContact O-N 3.3Å; L680-S682 VanDerWaalsContact C-N 3.29Å; L680-S682 PolarHBondContact O-N 2.94Å; L680-S683 WeakPolarHBondContact O-CB 3.5Å; L680-S683 PolarHBondContact O-N 3.36Å; L680-S683 VanDerWaalsContact O-N 3.1Å; L680-S683 PolarHBondContact O-OG 3.44Å; L680-Y684 WeakPolarHBondContact O-CD2 3.34Å |
| 681 | C | 95.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.027 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64 | -35.2 | 178.6 | -70 | 0 | 0 | 0 | 0 | 112.3 | L677 E679 S683 Y684 Y751 I752 | L677-C681 WeakPolarHBondContact CD1-SG 3.31Å; L677-C681 VanDerWaalsContact O-CB 3.23Å; L677-C681 WeakPolarHBondContact O-CB 3.43Å; L677-C681 PolarHBondContact O-N 2.92Å; L677-C681 PolarHBondContact O-SG 3.15Å; E679-C681 PolarHBondContact O-N 3.48Å; C681-S683 PolarHBondContact O-N 3.22Å; C681-Y684 WeakPolarHBondContact O-CB 3.19Å; C681-Y684 PolarHBondContact O-N 3.08Å; C681-Y684 VanDerWaalsContact O-N 3.15Å; C681-Y751 HydrophobicContact CB-CD1 4.39Å; C681-Y751 HydrophobicContact CB-CG 4.28Å; C681-I752 HydrophobicContact CB-CD1 3.84Å; C681-I752 HydrophobicContact CB-CG1 3.64Å |
| 682 | S | 93.9 | Very high | 93.5 | Very high | 42 Ų | 42 | 43.4 Ų | 43.4 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60 | -28.5 | 175.4 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | T678 E679 L680 Y684 S685 | T678-S682 WeakPolarHBondContact O-CB 3.43Å; T678-S682 PolarHBondContact O-N 2.87Å; T678-S682 PolarHBondContact O-OG 2.71Å; E679-S682 WeakPolarHBondContact O-CB 3.45Å; E679-S682 PolarHBondContact O-N 3.44Å; L680-S682 VanDerWaalsContact C-N 3.29Å; L680-S682 PolarHBondContact O-N 2.94Å; S682-Y684 VanDerWaalsContact C-N 3.27Å; S682-Y684 PolarHBondContact O-N 2.95Å; S682-S685 WeakPolarHBondContact O-CB 3.44Å; S682-S685 PolarHBondContact O-N 3.15Å; S682-S685 PolarHBondContact O-OG 3.42Å |
| 683 | S | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -30.4 | 178.5 | 79 | 0 | 0 | 0 | 0 | 113.2 | R559 M562 E679 L680 C681 S685 L686 | R559-S683 VanDerWaalsContact O-CA 3.22Å; R559-S683 WeakPolarHBondContact O-CA 3.49Å; R559-S683 WeakPolarHBondContact O-CB 3.48Å; M562-S683 WeakPolarHBondContact CB-O 3.33Å; M562-S683 WeakPolarHBondContact CG-O 3.43Å; E679-S683 PolarHBondContact O-N 3.35Å; L680-S683 WeakPolarHBondContact O-CB 3.5Å; L680-S683 PolarHBondContact O-N 3.36Å; L680-S683 VanDerWaalsContact O-N 3.1Å; L680-S683 PolarHBondContact O-OG 3.44Å; C681-S683 PolarHBondContact O-N 3.22Å; S683-S685 PolarHBondContact O-N 2.83Å; S683-S685 VanDerWaalsContact O-N 3.13Å; S683-L686 PolarHBondContact O-N 3.12Å |
| 684 | Y | 94.1 | Very high | 93.2 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -10.3 | 177.4 | -71 | -96.6 | 0 | 0 | 0 | 113.6 | M562 I601 T605 L680 C681 S682 L686 P699 T700 I752 | M562-Y684 HydrophobicContact CE-CD1 3.67Å; M562-Y684 HydrophobicContact CE-CD2 4.25Å; M562-Y684 HydrophobicContact CE-CE1 3.85Å; M562-Y684 HydrophobicContact CE-CE2 4.43Å; M562-Y684 HydrophobicContact CE-CG 3.89Å; I601-Y684 HydrophobicContact CG2-CE2 3.92Å; T605-Y684 HydrophobicContact CG2-CE2 4.25Å; L680-Y684 WeakPolarHBondContact O-CD2 3.34Å; C681-Y684 WeakPolarHBondContact O-CB 3.19Å; C681-Y684 PolarHBondContact O-N 3.08Å; C681-Y684 VanDerWaalsContact O-N 3.15Å; S682-Y684 VanDerWaalsContact C-N 3.27Å; S682-Y684 PolarHBondContact O-N 2.95Å; Y684-L686 VanDerWaalsContact C-N 3.26Å; Y684-L686 PolarHBondContact O-N 3.14Å; Y684-P699 HydrophobicContact CD1-CB 4Å; Y684-P699 HydrophobicContact CE1-CB 4Å; Y684-T700 HydrophobicContact CD1-CG2 4.14Å; Y684-I752 HydrophobicContact CD1-CD1 4.4Å; Y684-I752 HydrophobicContact CD2-CD1 3.48Å; Y684-I752 VanDerWaalsContact CD2-CD1 3.48Å; Y684-I752 HydrophobicContact CD2-CG1 4.47Å; Y684-I752 HydrophobicContact CE2-CD1 3.91Å; Y684-I752 HydrophobicContact CG-CD1 3.75Å; Y684-I752 HydrophobicContact CG-CG2 4.47Å |
| 685 | S | 88.4 | Confident | 93.3 | Very high | 75 Ų | 75 | 48.2 Ų | 48.2 | 52% | 0.524 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -6.9 | 174.2 | 72.3 | 0 | 0 | 0 | 0 | 114.3 | K409 S682 S683 | K409-S685 PolarHBondContact NZ-O 3.3Å; S682-S685 WeakPolarHBondContact O-CB 3.44Å; S682-S685 PolarHBondContact O-N 3.15Å; S682-S685 PolarHBondContact O-OG 3.42Å; S683-S685 PolarHBondContact O-N 2.83Å; S683-S685 VanDerWaalsContact O-N 3.13Å |
| 686 | L | 89.9 | Confident | 93.4 | Very high | 20 Ų | 20 | 47.6 Ų | 47.6 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -66.6 | -52.2 | -179.8 | -176.3 | 60.6 | 0 | 0 | 0 | 111 | Y405 E408 K409 M562 S683 Y684 | Y405-L686 HydrophobicContact CD2-CD1 3.97Å; Y405-L686 HydrophobicContact CD2-CD2 4.18Å; Y405-L686 HydrophobicContact CD2-CG 4.49Å; Y405-L686 HydrophobicContact CE2-CB 4.12Å; Y405-L686 HydrophobicContact CE2-CD1 3.8Å; Y405-L686 HydrophobicContact CE2-CD2 4.5Å; Y405-L686 HydrophobicContact CE2-CG 4.36Å; E408-L686 HydrophobicContact CB-CD1 4.25Å; K409-L686 HydrophobicContact CD-CD1 3.91Å; K409-L686 HydrophobicContact CG-CD1 4Å; M562-L686 HydrophobicContact CB-CB 4.01Å; M562-L686 HydrophobicContact CB-CD2 4.04Å; M562-L686 HydrophobicContact CG-CB 4Å; M562-L686 HydrophobicContact CG-CD2 4.27Å; M562-L686 WeakPolarHBondContact O-CD2 3.38Å; S683-L686 PolarHBondContact O-N 3.12Å; Y684-L686 VanDerWaalsContact C-N 3.26Å; Y684-L686 PolarHBondContact O-N 3.14Å |
| 687 | S | 85.6 | Confident | 93.5 | Very high | 33 Ų | 33 | 46.6 Ų | 46.6 | 23% | 0.231 | 26% | 0.263 | C | S | . | . | trans | -149.3 | 137.5 | -177 | -52.9 | 0 | 0 | 0 | 0 | 110.3 | D689 | S687-D689 WeakPolarHBondContact CB-O 3.49Š| ||
| 688 | A | 90.3 | Very high | 93.5 | Very high | 78 Ų | 78 | 48.7 Ų | 48.7 | 65% | 0.645 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -75.8 | -33.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P699 | A688-P699 WeakPolarHBondContact O-CD 3.44Š|
| 689 | D | 93.9 | Very high | 93.5 | Very high | 85 Ų | 85 | 46.3 Ų | 46.3 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | trans | -141.5 | 155 | 176.4 | 61.8 | -72.5 | 0 | 0 | 0 | 110.1 | S687 V696 V697 | S687-D689 WeakPolarHBondContact CB-O 3.49Å; D689-V696 HydrophobicContact CB-CG1 3.94Å; D689-V697 CarbonylContact C-O 3.51Å; D689-V697 WeakPolarHBondContact CA-O 3.28Å | ||
| 690 | I | 94.5 | Very high | 93.5 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 118.2 | 179.7 | -54.1 | 174.5 | 0 | 0 | 0 | 107.7 | M562 P565 V692 V697 P699 | M562-I690 HydrophobicContact SD-CD1 4.5Å; P565-I690 HydrophobicContact CB-CD1 3.85Å; P565-I690 HydrophobicContact CG-CD1 4.22Å; I690-V692 HydrophobicContact CG2-CG2 3.88Å; I690-V697 PolarHBondContact N-O 2.99Å; I690-V697 PolarHBondContact O-N 3.18Å; I690-P699 HydrophobicContact CD1-CG 4.1Å; I690-P699 HydrophobicContact CG1-CG 4.36Å |
| 691 | M | 94.2 | Very high | 93.4 | Very high | 121 Ų | 121 | 50 Ų | 50 | 60% | 0.596 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 113.1 | 173.8 | -173.4 | 177.9 | -70.7 | 0 | 0 | 109.4 | S569 F693 H695 | S569-M691 WeakPolarHBondContact CA-O 3.47Å; S569-M691 WeakPolarHBondContact CB-O 3.11Å; M691-F693 VanDerWaalsContact CG-O 3.3Å; M691-F693 WeakPolarHBondContact CG-O 3.31Å; M691-H695 WeakPolarHBondContact CA-O 3.29Å |
| 692 | V | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 105.6 | 175.3 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | C568 L591 C594 I690 E694 H695 | C568-V692 HydrophobicContact CB-CG2 4.31Å; L591-V692 HydrophobicContact CD2-CB 3.82Å; L591-V692 HydrophobicContact CD2-CG1 3.74Å; L591-V692 HydrophobicContact CG-CG1 4.18Å; C594-V692 HydrophobicContact CB-CG2 4.21Å; I690-V692 HydrophobicContact CG2-CG2 3.88Å; V692-E694 PolarHBondContact O-N 3.08Å; V692-H695 PolarHBondContact N-O 3.44Å; V692-H695 WeakPolarHBondContact O-CB 3.4Å; V692-H695 PolarHBondContact O-N 3.31Å |
| 693 | F | 91.7 | Very high | 93.6 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | -126.9 | -165.3 | -69.1 | -110.4 | 0 | 0 | 0 | 109.1 | F571 S572 T583 L586 E587 M691 H695 | F571-F693 HydrophobicContact CB-CE2 4.39Å; S572-F693 VanDerWaalsContact CA-CZ 3.44Å; T583-F693 HydrophobicContact CG2-CE1 4.06Å; L586-F693 HydrophobicContact CB-CZ 3.95Å; E587-F693 HydrophobicContact CB-CD1 3.99Å; E587-F693 HydrophobicContact CB-CD2 4.24Å; E587-F693 HydrophobicContact CB-CE1 4.05Å; E587-F693 HydrophobicContact CB-CE2 4.31Å; E587-F693 HydrophobicContact CB-CG 4.08Å; E587-F693 HydrophobicContact CB-CZ 4.2Å; E587-F693 HydrophobicContact CG-CB 4.11Å; E587-F693 HydrophobicContact CG-CD1 4.25Å; E587-F693 HydrophobicContact CG-CD2 4.3Å; E587-F693 HydrophobicContact CG-CG 3.98Å; M691-F693 VanDerWaalsContact CG-O 3.3Å; M691-F693 WeakPolarHBondContact CG-O 3.31Å; F693-H695 VanDerWaalsContact C-N 3.31Å; F693-H695 PolarHBondContact O-N 2.88Å |
| 694 | E | 91.2 | Very high | 93.7 | Very high | 176 Ų | 176 | 50.6 Ų | 50.6 | 82% | 0.822 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 9.2 | -179.6 | -58.1 | -57.3 | 138.8 | 0 | 0 | 113.6 | V692 | V692-E694 PolarHBondContact O-N 3.08Š|
| 695 | H | 95 | Very high | 93.7 | Very high | 84 Ų | 84 | 53.1 Ų | 53.1 | 39% | 0.389 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.8 | -175.8 | -63.6 | 65.8 | 0 | 0 | 0 | 111.6 | E587 L591 M691 V692 F693 | E587-H695 IonicContact OE1-CE1 2.65Å; E587-H695 PolarHBondContact OE1-CE1 3.05Å; E587-H695 IonicContact OE1-ND1 2.75Å; E587-H695 PolarHBondContact OE1-ND1 3.29Å; L591-H695 HydrophobicContact CD2-CB 3.68Å; M691-H695 WeakPolarHBondContact CA-O 3.29Å; V692-H695 PolarHBondContact N-O 3.44Å; V692-H695 WeakPolarHBondContact O-CB 3.4Å; V692-H695 PolarHBondContact O-N 3.31Å; F693-H695 VanDerWaalsContact C-N 3.31Å; F693-H695 PolarHBondContact O-N 2.88Å |
| 696 | V | 96.6 | Very high | 94 | Very high | 94 Ų | 94 | 51 Ų | 51 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 114.8 | 171.8 | -177.3 | 0 | 0 | 0 | 0 | 109 | D689 V698 | D689-V696 HydrophobicContact CB-CG1 3.94Å; V696-V698 HydrophobicContact CG1-CG2 4.48Å |
| 697 | V | 96.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.5 | -179.4 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | L598 D689 I690 P699 F702 | L598-V697 HydrophobicContact CD1-CG1 3.33Å; D689-V697 CarbonylContact C-O 3.51Å; D689-V697 WeakPolarHBondContact CA-O 3.28Å; I690-V697 PolarHBondContact N-O 2.99Å; I690-V697 PolarHBondContact O-N 3.18Å; V697-P699 WeakPolarHBondContact O-CD 3.25Å; V697-F702 HydrophobicContact CG1-CE2 3.61Å; V697-F702 HydrophobicContact CG1-CZ 4.05Å |
| 698 | V | 96 | Very high | 94.8 | Very high | 53 Ų | 53 | 51.1 Ų | 51.1 | 32% | 0.321 | 28% | 0.276 | S | S | . | . | trans | -107.2 | 106.6 | -175.9 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | V696 T700 E701 F702 | V696-V698 HydrophobicContact CG1-CG2 4.48Å; V698-T700 VanDerWaalsContact C-N 3.31Å; V698-T700 WeakPolarHBondContact CG1-OG1 3.3Å; V698-T700 PolarHBondContact O-N 2.78Å; V698-E701 HydrophobicContact CB-CG 4.2Å; V698-E701 HydrophobicContact CG1-CG 4.01Å; V698-E701 PolarHBondContact O-N 3.49Å; V698-F702 WeakPolarHBondContact O-CD2 3.39Å | ||
| 699 | P | 96.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.3 | -36 | -174.6 | -30 | 38.3 | 0 | 0 | 0 | 115.3 | M562 L598 Y684 A688 I690 V697 E701 F702 | M562-P699 HydrophobicContact CE-CB 3.87Å; M562-P699 HydrophobicContact CE-CG 4.41Å; M562-P699 HydrophobicContact SD-CB 4.09Å; M562-P699 HydrophobicContact SD-CG 4.04Å; L598-P699 HydrophobicContact CD2-CB 3.75Å; L598-P699 HydrophobicContact CD2-CG 3.88Å; Y684-P699 HydrophobicContact CD1-CB 4Å; Y684-P699 HydrophobicContact CE1-CB 4Å; A688-P699 WeakPolarHBondContact O-CD 3.44Å; I690-P699 HydrophobicContact CD1-CG 4.1Å; I690-P699 HydrophobicContact CG1-CG 4.36Å; V697-P699 WeakPolarHBondContact O-CD 3.25Å; P699-E701 VanDerWaalsContact C-N 3.32Å; P699-E701 PolarHBondContact O-N 3.35Å; P699-F702 PolarHBondContact O-N 3.13Å |
| 700 | T | 95.3 | Very high | 95 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 18% | 0.184 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.1 | -29.6 | -176.7 | 47.8 | 0 | 0 | 0 | 0 | 113.2 | Y684 V698 F702 L703 L704 I752 V754 | Y684-T700 HydrophobicContact CD1-CG2 4.14Å; V698-T700 VanDerWaalsContact C-N 3.31Å; V698-T700 WeakPolarHBondContact CG1-OG1 3.3Å; V698-T700 PolarHBondContact O-N 2.78Å; T700-F702 VanDerWaalsContact C-N 3.32Å; T700-F702 PolarHBondContact O-N 3.16Å; T700-L703 WeakPolarHBondContact O-CB 3.06Å; T700-L703 PolarHBondContact O-N 2.92Å; T700-L704 WeakPolarHBondContact O-CG 3.43Å; T700-L704 PolarHBondContact O-N 3.33Å; T700-I752 HydrophobicContact CG2-CG2 3.95Å; T700-V754 HydrophobicContact CG2-CG1 3.88Å |
| 701 | E | 94.8 | Very high | 95 | Very high | 89 Ų | 89 | 52.6 Ų | 52.6 | 42% | 0.416 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.6 | -31.7 | 178.3 | -66.6 | -58 | 129.5 | 0 | 0 | 111.9 | V698 P699 L703 L704 S705 R758 | V698-E701 HydrophobicContact CB-CG 4.2Å; V698-E701 HydrophobicContact CG1-CG 4.01Å; V698-E701 PolarHBondContact O-N 3.49Å; P699-E701 VanDerWaalsContact C-N 3.32Å; P699-E701 PolarHBondContact O-N 3.35Å; E701-L703 VanDerWaalsContact C-N 3.33Å; E701-L703 PolarHBondContact O-N 3.11Å; E701-L704 PolarHBondContact O-N 2.9Å; E701-S705 WeakPolarHBondContact O-CB 3.4Å; E701-S705 PolarHBondContact O-N 2.89Å; E701-R758 IonicContact OE1-NH2 3.61Å; E701-R758 IonicContact OE2-NH2 3.36Å; E701-R758 PolarHBondContact OE2-NH2 3.05Å |
| 702 | F | 96.6 | Very high | 95.1 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 23% | 0.228 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 172.2 | -70.3 | -93.3 | 0 | 0 | 0 | 111.7 | V595 L598 E599 A602 V697 V698 P699 T700 H706 | V595-F702 HydrophobicContact CG1-CE1 4Å; V595-F702 HydrophobicContact CG1-CZ 4.5Å; V595-F702 HydrophobicContact CG2-CE1 4.49Å; V595-F702 HydrophobicContact CG2-CZ 4.18Å; L598-F702 HydrophobicContact CB-CD1 4.28Å; L598-F702 HydrophobicContact CB-CD2 4.08Å; L598-F702 HydrophobicContact CB-CE2 4.34Å; L598-F702 HydrophobicContact CB-CG 4.07Å; L598-F702 HydrophobicContact CD1-CD2 4.07Å; L598-F702 HydrophobicContact CD1-CE2 3.77Å; L598-F702 HydrophobicContact CD1-CZ 4.29Å; E599-F702 HydrophobicContact CG-CD1 3.91Å; E599-F702 HydrophobicContact CG-CE1 4.18Å; A602-F702 HydrophobicContact CB-CB 3.88Å; V697-F702 HydrophobicContact CG1-CE2 3.61Å; V697-F702 HydrophobicContact CG1-CZ 4.05Å; V698-F702 WeakPolarHBondContact O-CD2 3.39Å; P699-F702 PolarHBondContact O-N 3.13Å; T700-F702 VanDerWaalsContact C-N 3.32Å; T700-F702 PolarHBondContact O-N 3.16Å; F702-H706 WeakPolarHBondContact O-CB 3.44Å; F702-H706 PolarHBondContact O-N 3.33Å; F702-H706 VanDerWaalsContact O-N 3.07Å |
| 703 | L | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 176.4 | 178.5 | 58.8 | 0 | 0 | 0 | 111.4 | A602 T605 T700 E701 H706 L707 L748 I752 | A602-L703 HydrophobicContact CB-CB 4.36Å; T605-L703 HydrophobicContact CG2-CD1 3.94Å; T605-L703 HydrophobicContact CG2-CD2 3.93Å; T700-L703 WeakPolarHBondContact O-CB 3.06Å; T700-L703 PolarHBondContact O-N 2.92Å; E701-L703 VanDerWaalsContact C-N 3.33Å; E701-L703 PolarHBondContact O-N 3.11Å; L703-H706 PolarHBondContact O-N 3.46Å; L703-L707 HydrophobicContact CD1-CD1 3.88Å; L703-L707 HydrophobicContact CD1-CG 4.02Å; L703-L707 HydrophobicContact CG-CD1 3.9Å; L703-L707 HydrophobicContact CG-CG 4.44Å; L703-L707 WeakPolarHBondContact O-CB 3.35Å; L703-L707 VanDerWaalsContact O-CG 3.32Å; L703-L707 WeakPolarHBondContact O-CG 3.18Å; L703-L707 PolarHBondContact O-N 3.25Å; L703-L748 HydrophobicContact CD2-CD2 4.22Å; L703-I752 HydrophobicContact CD2-CD1 3.98Å |
| 704 | L | 95.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 179.1 | -71.8 | 175.3 | 0 | 0 | 0 | 111.5 | T700 E701 H706 L707 E708 V754 L759 | T700-L704 WeakPolarHBondContact O-CG 3.43Å; T700-L704 PolarHBondContact O-N 3.33Å; E701-L704 PolarHBondContact O-N 2.9Å; L704-H706 VanDerWaalsContact C-N 3.32Å; L704-H706 PolarHBondContact O-N 3.09Å; L704-L707 PolarHBondContact O-N 3.25Å; L704-E708 WeakPolarHBondContact O-CG 3.28Å; L704-E708 PolarHBondContact O-N 3.07Å; L704-V754 HydrophobicContact CD2-CB 4.2Å; L704-L759 HydrophobicContact CB-CD1 4.48Å; L704-L759 HydrophobicContact CD2-CB 4.35Å; L704-L759 HydrophobicContact CD2-CD1 3.77Å; L704-L759 WeakPolarHBondContact O-CD1 3.12Å |
| 705 | S | 94.6 | Very high | 95.6 | Very high | 73 Ų | 73 | 43.7 Ų | 43.7 | 51% | 0.51 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 177.6 | 179.8 | 0 | 0 | 0 | 0 | 112 | E701 E708 M709 | E701-S705 WeakPolarHBondContact O-CB 3.4Å; E701-S705 PolarHBondContact O-N 2.89Å; S705-E708 PolarHBondContact O-N 3.06Å; S705-M709 PolarHBondContact O-N 3.19Å |
| 706 | H | 95.7 | Very high | 95.6 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 14% | 0.144 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 176.6 | -172.7 | 68.6 | 0 | 0 | 0 | 112.3 | F702 L703 L704 R710 | F702-H706 WeakPolarHBondContact O-CB 3.44Å; F702-H706 PolarHBondContact O-N 3.33Å; F702-H706 VanDerWaalsContact O-N 3.07Å; L703-H706 PolarHBondContact O-N 3.46Å; L704-H706 VanDerWaalsContact C-N 3.32Å; L704-H706 PolarHBondContact O-N 3.09Å; H706-R710 WeakPolarHBondContact O-CB 2.84Å; H706-R710 WeakPolarHBondContact O-CG 3.28Å; H706-R710 PolarHBondContact O-N 3.02Å |
| 707 | L | 96.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -38.8 | 178.4 | -76.6 | 173.4 | 0 | 0 | 0 | 112.2 | V609 L610 L703 L704 L711 M745 L748 L759 | V609-L707 HydrophobicContact CB-CD2 4.37Å; V609-L707 HydrophobicContact CG1-CD2 4.26Å; L610-L707 HydrophobicContact CD1-CD2 4.3Å; L610-L707 HydrophobicContact CD2-CD2 4.29Å; L610-L707 HydrophobicContact CG-CD2 4.06Å; L703-L707 HydrophobicContact CD1-CD1 3.88Å; L703-L707 HydrophobicContact CD1-CG 4.02Å; L703-L707 HydrophobicContact CG-CD1 3.9Å; L703-L707 HydrophobicContact CG-CG 4.44Å; L703-L707 WeakPolarHBondContact O-CB 3.35Å; L703-L707 VanDerWaalsContact O-CG 3.32Å; L703-L707 WeakPolarHBondContact O-CG 3.18Å; L703-L707 PolarHBondContact O-N 3.25Å; L704-L707 PolarHBondContact O-N 3.25Å; L707-L711 WeakPolarHBondContact O-CB 3.43Å; L707-L711 PolarHBondContact O-N 2.72Å; L707-M745 HydrophobicContact CB-CE 4.25Å; L707-M745 HydrophobicContact CD1-CE 4.26Å; L707-M745 HydrophobicContact CD2-CE 4.21Å; L707-M745 HydrophobicContact CG-CE 4.49Å; L707-L748 HydrophobicContact CD1-CD2 3.64Å; L707-L759 HydrophobicContact CB-CD1 3.52Å; L707-L759 HydrophobicContact CD1-CD1 4.36Å |
| 708 | E | 94.6 | Very high | 95.5 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 25% | 0.248 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.6 | -54.3 | 176 | -79.1 | 178.8 | -177.1 | 0 | 0 | 111.5 | L704 S705 R710 L711 T712 L759 V763 | L704-E708 WeakPolarHBondContact O-CG 3.28Å; L704-E708 PolarHBondContact O-N 3.07Å; S705-E708 PolarHBondContact O-N 3.06Å; E708-R710 PolarHBondContact O-N 3.45Å; E708-L711 PolarHBondContact O-N 3.47Å; E708-T712 PolarHBondContact O-N 3.23Å; E708-T712 VanDerWaalsContact O-N 3.14Å; E708-T712 PolarHBondContact O-OG1 2.82Å; E708-L759 HydrophobicContact CG-CB 4.37Å; E708-L759 HydrophobicContact CG-CD1 3.77Å; E708-L759 HydrophobicContact CG-CG 3.57Å; E708-V763 HydrophobicContact CB-CG2 4.2Å; E708-V763 HydrophobicContact CG-CG2 4.2Å |
| 709 | M | 93.9 | Very high | 95.5 | Very high | 96 Ų | 96 | 42.6 Ų | 42.6 | 47% | 0.473 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 178.9 | 174.5 | 178.1 | 44.7 | 0 | 0 | 111.5 | S705 T712 E713 | S705-M709 PolarHBondContact O-N 3.19Å; M709-T712 PolarHBondContact O-N 2.93Å; M709-E713 WeakPolarHBondContact O-CG 3.45Å; M709-E713 PolarHBondContact O-N 3.47Å; M709-E713 VanDerWaalsContact O-N 3.12Å |
| 710 | R | 95.5 | Very high | 95.3 | Very high | 99 Ų | 99 | 47.3 Ų | 47.3 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -71 | -34.7 | -176.2 | -67.8 | -67.2 | -64 | 166.7 | -2.3 | 113 | L610 H706 E708 E713 I714 | L610-R710 HydrophobicContact CD1-CB 3.41Å; L610-R710 VanDerWaalsContact CD1-CB 3.41Å; L610-R710 HydrophobicContact CD1-CG 4.2Å; H706-R710 WeakPolarHBondContact O-CB 2.84Å; H706-R710 WeakPolarHBondContact O-CG 3.28Å; H706-R710 PolarHBondContact O-N 3.02Å; E708-R710 PolarHBondContact O-N 3.45Å; R710-E713 WeakPolarHBondContact CD-OE2 3.37Å; R710-E713 IonicContact CZ-OE2 2.73Å; R710-E713 IonicContact NE-OE2 2.97Å; R710-E713 IonicContact NH1-OE2 2.84Å; R710-E713 PolarHBondContact NH1-OE2 3.01Å; R710-E713 PolarHBondContact O-N 3.44Å; R710-I714 WeakPolarHBondContact O-CB 3.22Å; R710-I714 WeakPolarHBondContact O-CD1 3.38Å; R710-I714 VanDerWaalsContact O-CG1 3.23Å; R710-I714 WeakPolarHBondContact O-CG1 3.25Å; R710-I714 PolarHBondContact O-N 3.08Å |
| 711 | L | 95.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 175.3 | -178.1 | 62.2 | 0 | 0 | 0 | 110.7 | L707 E708 I714 I715 Y741 M745 L759 V763 | L707-L711 WeakPolarHBondContact O-CB 3.43Å; L707-L711 PolarHBondContact O-N 2.72Å; E708-L711 PolarHBondContact O-N 3.47Å; L711-I714 PolarHBondContact O-N 3.28Å; L711-I715 HydrophobicContact CD1-CD1 4.34Å; L711-I715 HydrophobicContact CD1-CG1 4.44Å; L711-I715 HydrophobicContact CG-CD1 4.04Å; L711-I715 WeakPolarHBondContact O-CG1 3.5Å; L711-I715 PolarHBondContact O-N 3.4Å; L711-Y741 HydrophobicContact CD1-CD1 4.1Å; L711-M745 HydrophobicContact CD1-SD 3.94Å; L711-M745 HydrophobicContact CD2-CE 4.46Å; L711-M745 HydrophobicContact CD2-SD 3.81Å; L711-M745 HydrophobicContact CG-SD 4.37Å; L711-L759 HydrophobicContact CD2-CD2 3.96Å; L711-V763 HydrophobicContact CB-CG1 4.44Å; L711-V763 HydrophobicContact CD2-CB 4.15Å; L711-V763 HydrophobicContact CD2-CG1 4Å; L711-V763 HydrophobicContact CD2-CG2 4.23Å; L711-V763 HydrophobicContact CG-CG1 4.01Å |
| 712 | T | 95.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.7 | -51.8 | 173.5 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | E708 M709 I714 I715 I716 V763 | E708-T712 PolarHBondContact O-N 3.23Å; E708-T712 VanDerWaalsContact O-N 3.14Å; E708-T712 PolarHBondContact O-OG1 2.82Å; M709-T712 PolarHBondContact O-N 2.93Å; T712-I714 VanDerWaalsContact C-N 3.28Å; T712-I714 PolarHBondContact O-N 2.73Å; T712-I715 PolarHBondContact O-N 3.07Å; T712-I716 WeakPolarHBondContact O-CG1 3.45Å; T712-I716 PolarHBondContact O-N 2.92Å; T712-V763 WeakPolarHBondContact OG1-CG1 3.3Å |
| 713 | E | 95.1 | Very high | 94.7 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 42% | 0.416 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.2 | -40.9 | 177.5 | -71 | 175.6 | 176.8 | 0 | 0 | 112.5 | M709 R710 K717 | M709-E713 WeakPolarHBondContact O-CG 3.45Å; M709-E713 PolarHBondContact O-N 3.47Å; M709-E713 VanDerWaalsContact O-N 3.12Å; R710-E713 WeakPolarHBondContact CD-OE2 3.37Å; R710-E713 IonicContact CZ-OE2 2.73Å; R710-E713 IonicContact NE-OE2 2.97Å; R710-E713 IonicContact NH1-OE2 2.84Å; R710-E713 PolarHBondContact NH1-OE2 3.01Å; R710-E713 PolarHBondContact O-N 3.44Å; E713-K717 VanDerWaalsContact O-CB 3.26Å; E713-K717 WeakPolarHBondContact O-CB 3.36Å; E713-K717 PolarHBondContact O-N 3.05Å |
| 714 | I | 96.1 | Very high | 94.2 | Very high | 25 Ų | 25 | 58.4 Ų | 58.4 | 13% | 0.128 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.6 | -43 | 178.9 | -72.2 | 165.7 | 0 | 0 | 0 | 111.2 | L610 R710 L711 T712 I716 K717 M718 Y741 | L610-I714 HydrophobicContact CB-CD1 4.1Å; L610-I714 HydrophobicContact CD1-CD1 3.9Å; L610-I714 HydrophobicContact CD2-CD1 3.86Å; L610-I714 HydrophobicContact CG-CD1 4.16Å; R710-I714 WeakPolarHBondContact O-CB 3.22Å; R710-I714 WeakPolarHBondContact O-CD1 3.38Å; R710-I714 VanDerWaalsContact O-CG1 3.23Å; R710-I714 WeakPolarHBondContact O-CG1 3.25Å; R710-I714 PolarHBondContact O-N 3.08Å; L711-I714 PolarHBondContact O-N 3.28Å; T712-I714 VanDerWaalsContact C-N 3.28Å; T712-I714 PolarHBondContact O-N 2.73Å; I714-I716 PolarHBondContact O-N 2.79Å; I714-K717 PolarHBondContact O-N 3.03Å; I714-M718 HydrophobicContact CG2-CE 3.95Å; I714-M718 HydrophobicContact CG2-CG 4.24Å; I714-M718 HydrophobicContact CG2-SD 4.16Å; I714-M718 WeakPolarHBondContact O-CB 3.38Å; I714-M718 VanDerWaalsContact O-CG 3.28Å; I714-M718 WeakPolarHBondContact O-CG 3.11Å; I714-M718 PolarHBondContact O-N 3.38Å; I714-Y741 HydrophobicContact CD1-CE1 4.07Å; I714-Y741 HydrophobicContact CG2-CD1 4.34Å; I714-Y741 HydrophobicContact CG2-CE1 3.7Å; I714-Y741 HydrophobicContact CG2-CE2 4.43Å |
| 715 | I | 96.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 176.9 | -70.9 | 168.1 | 0 | 0 | 0 | 110.3 | L711 T712 K717 M718 T719 I738 V763 L764 Q767 V779 | L711-I715 HydrophobicContact CD1-CD1 4.34Å; L711-I715 HydrophobicContact CD1-CG1 4.44Å; L711-I715 HydrophobicContact CG-CD1 4.04Å; L711-I715 WeakPolarHBondContact O-CG1 3.5Å; L711-I715 PolarHBondContact O-N 3.4Å; T712-I715 PolarHBondContact O-N 3.07Å; I715-K717 VanDerWaalsContact C-N 3.32Å; I715-K717 PolarHBondContact O-N 2.96Å; I715-M718 HydrophobicContact CG1-CE 4.17Å; I715-M718 PolarHBondContact O-N 2.98Å; I715-M718 VanDerWaalsContact O-N 3.16Å; I715-T719 PolarHBondContact O-N 3.24Å; I715-T719 VanDerWaalsContact O-N 3.08Å; I715-T719 PolarHBondContact O-OG1 2.7Å; I715-I738 HydrophobicContact CG1-CD1 4.19Å; I715-I738 HydrophobicContact CG1-CG1 4.22Å; I715-I738 HydrophobicContact CG2-CD1 3.86Å; I715-V763 HydrophobicContact CD1-CG1 3.73Å; I715-L764 HydrophobicContact CD1-CD2 3.93Å; I715-Q767 HydrophobicContact CG2-CG 4.19Å; I715-V779 HydrophobicContact CG2-CG2 3.53Å |
| 716 | I | 95.6 | Very high | 93.4 | Very high | 36 Ų | 36 | 60.3 Ų | 60.3 | 19% | 0.185 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 178.1 | -61.7 | -53.6 | 0 | 0 | 0 | 111.4 | T712 I714 M718 T719 Q767 P777 V779 Y782 | T712-I716 WeakPolarHBondContact O-CG1 3.45Å; T712-I716 PolarHBondContact O-N 2.92Å; I714-I716 PolarHBondContact O-N 2.79Å; I716-M718 VanDerWaalsContact C-N 3.32Å; I716-M718 PolarHBondContact O-N 3.05Å; I716-T719 WeakPolarHBondContact O-CB 3.44Å; I716-T719 PolarHBondContact O-N 3.18Å; I716-Q767 VanDerWaalsContact CD1-OE1 3.29Å; I716-P777 WeakPolarHBondContact CD1-O 3.49Å; I716-V779 HydrophobicContact CD1-CG2 4.48Å; I716-Y782 HydrophobicContact CD1-CE2 4.28Å; I716-Y782 HydrophobicContact CG2-CE2 3.83Å |
| 717 | K | 95.2 | Very high | 93.2 | Very high | 173 Ų | 173 | 63.5 Ų | 63.5 | 75% | 0.752 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.3 | -35.2 | 176.8 | -165.6 | 176.5 | -176.6 | 179.9 | 0 | 112.4 | E713 I714 I715 T719 N720 | E713-K717 VanDerWaalsContact O-CB 3.26Å; E713-K717 WeakPolarHBondContact O-CB 3.36Å; E713-K717 PolarHBondContact O-N 3.05Å; I714-K717 PolarHBondContact O-N 3.03Å; I715-K717 VanDerWaalsContact C-N 3.32Å; I715-K717 PolarHBondContact O-N 2.96Å; K717-T719 VanDerWaalsContact C-N 3.32Å; K717-N720 PolarHBondContact O-N 2.65Å |
| 718 | M | 95.3 | Very high | 93.2 | Very high | 13 Ų | 13 | 64.1 Ų | 64.1 | 6% | 0.064 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.5 | -27.8 | 175.4 | -74 | -171.7 | -56.8 | 0 | 0 | 112.7 | I714 I715 I716 N720 T729 L734 I738 Y741 | I714-M718 HydrophobicContact CG2-CE 3.95Å; I714-M718 HydrophobicContact CG2-CG 4.24Å; I714-M718 HydrophobicContact CG2-SD 4.16Å; I714-M718 WeakPolarHBondContact O-CB 3.38Å; I714-M718 VanDerWaalsContact O-CG 3.28Å; I714-M718 WeakPolarHBondContact O-CG 3.11Å; I714-M718 PolarHBondContact O-N 3.38Å; I715-M718 HydrophobicContact CG1-CE 4.17Å; I715-M718 PolarHBondContact O-N 2.98Å; I715-M718 VanDerWaalsContact O-N 3.16Å; I716-M718 VanDerWaalsContact C-N 3.32Å; I716-M718 PolarHBondContact O-N 3.05Å; M718-N720 PolarHBondContact O-N 3.29Å; M718-T729 PolarHBondContact O-OG1 3.4Å; M718-L734 HydrophobicContact CB-CD1 3.57Å; M718-L734 HydrophobicContact CE-CD1 4.48Å; M718-I738 HydrophobicContact CE-CG1 3.87Å; M718-Y741 HydrophobicContact CE-CD2 4.48Å; M718-Y741 HydrophobicContact SD-CD2 4.25Å; M718-Y741 HydrophobicContact SD-CE2 4.01Å |
| 719 | T | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.7 | -32.1 | 172.3 | -52 | 0 | 0 | 0 | 0 | 111.3 | I715 I716 K717 Y721 I728 T729 Y783 | I715-T719 PolarHBondContact O-N 3.24Å; I715-T719 VanDerWaalsContact O-N 3.08Å; I715-T719 PolarHBondContact O-OG1 2.7Å; I716-T719 WeakPolarHBondContact O-CB 3.44Å; I716-T719 PolarHBondContact O-N 3.18Å; K717-T719 VanDerWaalsContact C-N 3.32Å; T719-Y721 PolarHBondContact O-N 3.23Å; T719-I728 HydrophobicContact CG2-CD1 3.94Å; T719-I728 HydrophobicContact CG2-CG1 3.89Å; T719-T729 WeakPolarHBondContact O-CB 3.09Å; T719-T729 PolarHBondContact O-N 3.25Å; T719-T729 PolarHBondContact O-OG1 3.18Å; T719-Y783 HydrophobicContact CG2-CE2 4.15Å |
| 720 | N | 93.4 | Very high | 93.3 | Very high | 101 Ų | 101 | 61 Ų | 61 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | trans | 51.8 | 40.2 | 175.7 | -165.3 | 50 | 0 | 0 | 0 | 113.4 | K717 M718 T729 | K717-N720 PolarHBondContact O-N 2.65Å; M718-N720 PolarHBondContact O-N 3.29Å; N720-T729 WeakPolarHBondContact CB-OG1 3.45Å | ||
| 721 | Y | 93.5 | Very high | 93.4 | Very high | 57 Ų | 57 | 56.2 Ų | 56.2 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | trans | -75.4 | 125.3 | 179.1 | 177.1 | -109.3 | 0 | 0 | 0 | 111.1 | T719 Q723 E727 I728 Y782 W786 | T719-Y721 PolarHBondContact O-N 3.23Å; Y721-Q723 HydrophobicContact CE1-CB 4.08Å; Y721-E727 CarbonylContact C-O 3.59Å; Y721-E727 WeakPolarHBondContact CA-O 3.36Å; Y721-I728 HydrophobicContact CD2-CB 4.25Å; Y721-I728 HydrophobicContact CD2-CD1 4.02Å; Y721-I728 HydrophobicContact CD2-CG1 4.27Å; Y721-Y782 AromaticContact CD1-CD1 3.22Å; Y721-Y782 HydrophobicContact CD1-CD1 3.22Å; Y721-Y782 AromaticContact CD1-CE1 3.51Å; Y721-Y782 HydrophobicContact CD1-CE1 3.51Å; Y721-Y782 HydrophobicContact CD1-CG 4.22Å; Y721-Y782 AromaticContact CE1-CD1 3.81Å; Y721-Y782 HydrophobicContact CE1-CD1 3.81Å; Y721-Y782 HydrophobicContact CE1-CE1 4.12Å; Y721-Y782 AromaticContact CG-CD1 3.7Å; Y721-Y782 HydrophobicContact CG-CD1 3.7Å; Y721-Y782 HydrophobicContact CG-CE1 4.3Å; Y721-Y782 HydrophobicContact CG-CG 4.28Å; Y721-W786 HydrophobicContact CE2-CB 4.11Å; Y721-W786 AromaticContact CE2-CD1 3.99Å; Y721-W786 HydrophobicContact CE2-CG 4.48Å | ||
| 722 | N | 91.8 | Very high | 93.4 | Very high | 64 Ų | 64 | 57.7 Ų | 57.7 | 34% | 0.342 | 29% | 0.29 | S | S | . | . | B | Isolated β-bridge | trans | -123.5 | 111.4 | 173.7 | -177.3 | -21.8 | 0 | 0 | 0 | 109.8 | T724 T725 Q726 E727 | N722-T724 VanDerWaalsContact C-N 3.26Å; N722-T724 PolarHBondContact O-N 3.34Å; N722-T724 WeakPolarHBondContact OD1-CB 3.17Å; N722-T724 PolarHBondContact OD1-N 3.17Å; N722-T725 VanDerWaalsContact CB-OG1 3.27Å; N722-T725 WeakPolarHBondContact CB-OG1 3.35Å; N722-T725 PolarHBondContact ND2-OG1 3.36Å; N722-T725 PolarHBondContact OD1-N 2.83Å; N722-Q726 VanDerWaalsContact O-CA 3.27Å; N722-Q726 WeakPolarHBondContact O-CA 3.3Å; N722-Q726 PolarHBondContact O-N 2.95Å; N722-E727 PolarHBondContact N-O 2.78Å; N722-E727 PolarHBondContact O-N 2.93Å |
| 723 | Q | 88 | Confident | 93.3 | Very high | 152 Ų | 152 | 58.1 Ų | 58.1 | 71% | 0.71 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -31.6 | -177.5 | -171 | 176.4 | 12.5 | 0 | 0 | 113.1 | Y721 | Y721-Q723 HydrophobicContact CE1-CB 4.08Š|
| 724 | T | 86.4 | Confident | 93.3 | Very high | 132 Ų | 132 | 54 Ų | 54 | 81% | 0.81 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -43.5 | -176.8 | -52.6 | 0 | 0 | 0 | 0 | 111.8 | N722 | N722-T724 VanDerWaalsContact C-N 3.26Å; N722-T724 PolarHBondContact O-N 3.34Å; N722-T724 WeakPolarHBondContact OD1-CB 3.17Å; N722-T724 PolarHBondContact OD1-N 3.17Å |
| 725 | T | 86.9 | Confident | 93.3 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 34% | 0.344 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -9.9 | 179.9 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | N722 E727 | N722-T725 VanDerWaalsContact CB-OG1 3.27Å; N722-T725 WeakPolarHBondContact CB-OG1 3.35Å; N722-T725 PolarHBondContact ND2-OG1 3.36Å; N722-T725 PolarHBondContact OD1-N 2.83Å; T725-E727 PolarHBondContact O-N 3.49Å; T725-E727 WeakPolarHBondContact OG1-CG 3.49Å; T725-E727 PolarHBondContact OG1-OE2 2.66Å |
| 726 | Q | 86.6 | Confident | 93.2 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 28.2 | -171.1 | -56.1 | -173 | -18.3 | 0 | 0 | 112.9 | N722 W786 A790 | N722-Q726 VanDerWaalsContact O-CA 3.27Å; N722-Q726 WeakPolarHBondContact O-CA 3.3Å; N722-Q726 PolarHBondContact O-N 2.95Å; Q726-W786 PolarHBondContact O-NE1 3.11Å; Q726-A790 HydrophobicContact CB-CB 4.39Å |
| 727 | E | 90.9 | Very high | 93.1 | Very high | 97 Ų | 97 | 53 Ų | 53 | 45% | 0.453 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -84.8 | 139.8 | 175.6 | -69.4 | 169 | 150.1 | 0 | 0 | 110.3 | Y721 N722 T725 | Y721-E727 CarbonylContact C-O 3.59Å; Y721-E727 WeakPolarHBondContact CA-O 3.36Å; N722-E727 PolarHBondContact N-O 2.78Å; N722-E727 PolarHBondContact O-N 2.93Å; T725-E727 PolarHBondContact O-N 3.49Å; T725-E727 WeakPolarHBondContact OG1-CG 3.49Å; T725-E727 PolarHBondContact OG1-OE2 2.66Å |
| 728 | I | 95.9 | Very high | 93.2 | Very high | 15 Ų | 15 | 45.5 Ų | 45.5 | 8% | 0.077 | 24% | 0.239 | C | C | . | . | trans | -148.1 | 150.7 | 170.7 | -161.9 | 168.6 | 0 | 0 | 0 | 108.6 | T719 Y721 Y783 W786 F825 | T719-I728 HydrophobicContact CG2-CD1 3.94Å; T719-I728 HydrophobicContact CG2-CG1 3.89Å; Y721-I728 HydrophobicContact CD2-CB 4.25Å; Y721-I728 HydrophobicContact CD2-CD1 4.02Å; Y721-I728 HydrophobicContact CD2-CG1 4.27Å; I728-Y783 HydrophobicContact CD1-CD1 3.64Å; I728-Y783 HydrophobicContact CD1-CD2 4.41Å; I728-Y783 HydrophobicContact CD1-CE1 3.65Å; I728-Y783 HydrophobicContact CD1-CE2 4.43Å; I728-Y783 HydrophobicContact CD1-CG 4.03Å; I728-Y783 HydrophobicContact CG1-CE1 4.04Å; I728-Y783 HydrophobicContact CG2-CE1 4.36Å; I728-W786 HydrophobicContact CB-CD2 4.48Å; I728-W786 HydrophobicContact CB-CG 4.17Å; I728-W786 HydrophobicContact CD1-CB 4.03Å; I728-W786 HydrophobicContact CD1-CG 4.26Å; I728-W786 HydrophobicContact CG2-CD2 3.49Å; I728-W786 VanDerWaalsContact CG2-CD2 3.49Å; I728-W786 VanDerWaalsContact CG2-CE2 3.43Å; I728-W786 HydrophobicContact CG2-CE3 4.09Å; I728-W786 HydrophobicContact CG2-CG 3.66Å; I728-W786 HydrophobicContact CG2-CZ2 4Å; I728-F825 HydrophobicContact CG2-CD1 4.27Å; I728-F825 HydrophobicContact CG2-CE1 3.69Å; I728-F825 HydrophobicContact CG2-CZ 4.49Å; I728-F825 WeakPolarHBondContact O-CE1 3.15Å | ||
| 729 | T | 95.3 | Very high | 93.2 | Very high | 26 Ų | 26 | 49.8 Ų | 49.8 | 16% | 0.16 | 26% | 0.257 | C | S | . | . | trans | -67.7 | 143.7 | 175.1 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | M718 T719 N720 D733 L734 Y783 | M718-T729 PolarHBondContact O-OG1 3.4Å; T719-T729 WeakPolarHBondContact O-CB 3.09Å; T719-T729 PolarHBondContact O-N 3.25Å; T719-T729 PolarHBondContact O-OG1 3.18Å; N720-T729 WeakPolarHBondContact CB-OG1 3.45Å; T729-D733 HydrophobicContact CG2-CB 3.92Å; T729-L734 HydrophobicContact CG2-CB 4.21Å; T729-Y783 WeakPolarHBondContact O-CE1 3.47Å; T729-Y783 PolarHBondContact O-OH 3.49Å | ||
| 730 | R | 95.3 | Very high | 93.1 | Very high | 56 Ų | 56 | 50.4 Ų | 50.4 | 21% | 0.211 | 26% | 0.261 | C | S | . | . | trans | -62.3 | 136.5 | 175.1 | -64 | -177.5 | -59.9 | 170.5 | 20 | 110.6 | S732 D733 L734 E824 F825 | R730-S732 PolarHBondContact O-N 3.06Å; R730-D733 HydrophobicContact CB-CB 4.42Å; R730-D733 IonicContact CZ-OD2 2.67Å; R730-D733 VanDerWaalsContact CZ-OD2 3.24Å; R730-D733 IonicContact NE-OD2 2.92Å; R730-D733 PolarHBondContact NE-OD2 3.15Å; R730-D733 IonicContact NH2-OD1 3.8Å; R730-D733 PolarHBondContact NH2-OD1 2.62Å; R730-D733 IonicContact NH2-OD2 3.22Å; R730-D733 PolarHBondContact NH2-OD2 2.86Å; R730-D733 PolarHBondContact O-N 2.95Å; R730-D733 VanDerWaalsContact O-N 3.13Å; R730-L734 PolarHBondContact O-N 3.08Å; R730-E824 WeakPolarHBondContact CD-O 3.4Å; R730-E824 WeakPolarHBondContact CG-O 3.11Å; R730-E824 IonicContact CZ-OE2 2.62Å; R730-E824 IonicContact NH1-OE2 3.5Å; R730-E824 PolarHBondContact NH1-OE2 2.92Å; R730-F825 HydrophobicContact CB-CE1 4.33Å; R730-F825 HydrophobicContact CG-CD1 4.23Å; R730-F825 HydrophobicContact CG-CE1 3.71Å; R730-F825 HydrophobicContact CG-CE2 4.09Å; R730-F825 HydrophobicContact CG-CZ 3.64Å | ||
| 731 | P | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -48.9 | -42 | 178.2 | -29.5 | 33.4 | 0 | 0 | 0 | 114.2 | L734 L735 Y783 E830 A833 L834 L837 | P731-L734 PolarHBondContact O-N 3.38Å; P731-L735 VanDerWaalsContact O-CB 3.24Å; P731-L735 WeakPolarHBondContact O-CB 3.47Å; P731-L735 PolarHBondContact O-N 3.13Å; P731-Y783 HydrophobicContact CG-CD1 4.38Å; P731-Y783 HydrophobicContact CG-CE1 3.78Å; P731-E830 WeakPolarHBondContact CB-O 3.21Å; P731-E830 WeakPolarHBondContact CD-OE2 3.44Å; P731-A833 HydrophobicContact CB-CB 3.94Å; P731-L834 HydrophobicContact CB-CB 4.12Å; P731-L834 HydrophobicContact CG-CB 4.26Å; P731-L837 HydrophobicContact CB-CD1 4.21Å; P731-L837 WeakPolarHBondContact O-CD1 3.47Å |
| 732 | S | 95.4 | Very high | 93.3 | Very high | 35 Ų | 35 | 45 Ų | 45 | 25% | 0.245 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 179.7 | 68.6 | 0 | 0 | 0 | 0 | 113 | R730 L735 A736 E830 | R730-S732 PolarHBondContact O-N 3.06Å; S732-L735 PolarHBondContact O-N 3.39Å; S732-A736 WeakPolarHBondContact O-CB 3.31Å; S732-A736 PolarHBondContact O-N 3.32Å; S732-E830 WeakPolarHBondContact CB-OE1 3.45Å; S732-E830 WeakPolarHBondContact CB-OE2 3.29Å; S732-E830 PolarHBondContact N-OE2 2.87Å; S732-E830 VanDerWaalsContact OG-CD 3.28Å; S732-E830 PolarHBondContact OG-OE1 3.04Å; S732-E830 PolarHBondContact OG-OE2 3.05Å |
| 733 | D | 93.6 | Very high | 93.3 | Very high | 28 Ų | 28 | 45.2 Ų | 45.2 | 15% | 0.15 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.8 | -41.9 | 177.4 | -70.4 | -39 | 0 | 0 | 0 | 110.9 | L624 K626 T729 R730 G737 | L624-D733 WeakPolarHBondContact CD1-OD1 3.45Å; K626-D733 IonicContact NZ-OD1 3.43Å; T729-D733 HydrophobicContact CG2-CB 3.92Å; R730-D733 HydrophobicContact CB-CB 4.42Å; R730-D733 IonicContact CZ-OD2 2.67Å; R730-D733 VanDerWaalsContact CZ-OD2 3.24Å; R730-D733 IonicContact NE-OD2 2.92Å; R730-D733 PolarHBondContact NE-OD2 3.15Å; R730-D733 IonicContact NH2-OD1 3.8Å; R730-D733 PolarHBondContact NH2-OD1 2.62Å; R730-D733 IonicContact NH2-OD2 3.22Å; R730-D733 PolarHBondContact NH2-OD2 2.86Å; R730-D733 PolarHBondContact O-N 2.95Å; R730-D733 VanDerWaalsContact O-N 3.13Å; D733-G737 PolarHBondContact O-N 3.2Å |
| 734 | L | 95.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -47.3 | 176 | 179.7 | 62.2 | 0 | 0 | 0 | 111 | M718 T729 R730 P731 A736 G737 I738 V779 Y783 L837 | M718-L734 HydrophobicContact CB-CD1 3.57Å; M718-L734 HydrophobicContact CE-CD1 4.48Å; T729-L734 HydrophobicContact CG2-CB 4.21Å; R730-L734 PolarHBondContact O-N 3.08Å; P731-L734 PolarHBondContact O-N 3.38Å; L734-A736 PolarHBondContact O-N 3.33Å; L734-G737 WeakPolarHBondContact O-CA 3.32Å; L734-G737 PolarHBondContact O-N 3.03Å; L734-G737 VanDerWaalsContact O-N 3.12Å; L734-I738 HydrophobicContact CD1-CD1 4.17Å; L734-I738 HydrophobicContact CD1-CG1 4.26Å; L734-I738 HydrophobicContact CG-CD1 4.07Å; L734-I738 HydrophobicContact CG-CG1 4.46Å; L734-I738 WeakPolarHBondContact O-CG1 3.24Å; L734-I738 PolarHBondContact O-N 3.38Å; L734-V779 HydrophobicContact CD2-CG1 4.1Å; L734-V779 HydrophobicContact CD2-CG2 4.43Å; L734-Y783 HydrophobicContact CD2-CE2 3.64Å; L734-Y783 WeakPolarHBondContact CD2-OH 3.39Å; L734-L837 HydrophobicContact CB-CD1 4.33Å; L734-L837 HydrophobicContact CD2-CD1 4.04Å; L734-L837 HydrophobicContact CD2-CD2 4.39Å; L734-L837 HydrophobicContact CG-CD1 4.31Å; L734-L837 HydrophobicContact CG-CD2 4.28Å |
| 735 | L | 95.9 | Very high | 93.8 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 178.1 | 178.7 | 62.9 | 0 | 0 | 0 | 112.1 | P731 S732 G737 I738 K739 A833 E836 L837 | P731-L735 VanDerWaalsContact O-CB 3.24Å; P731-L735 WeakPolarHBondContact O-CB 3.47Å; P731-L735 PolarHBondContact O-N 3.13Å; S732-L735 PolarHBondContact O-N 3.39Å; L735-G737 VanDerWaalsContact C-N 3.28Å; L735-G737 PolarHBondContact O-N 3.38Å; L735-I738 PolarHBondContact O-N 2.89Å; L735-K739 HydrophobicContact CD1-CD 4.28Å; L735-K739 HydrophobicContact CD1-CG 4.31Å; L735-K739 HydrophobicContact CG-CD 4.19Å; L735-K739 WeakPolarHBondContact O-CB 3.25Å; L735-K739 WeakPolarHBondContact O-CG 3.21Å; L735-K739 PolarHBondContact O-N 3.16Å; L735-A833 HydrophobicContact CB-CB 4.38Å; L735-A833 HydrophobicContact CD2-CB 3.7Å; L735-E836 HydrophobicContact CD1-CB 4.1Å; L735-E836 HydrophobicContact CD2-CB 3.86Å; L735-E836 HydrophobicContact CD2-CG 4.44Å; L735-E836 WeakPolarHBondContact CD2-OE2 3.43Å; L735-L837 HydrophobicContact CB-CD1 4.24Å; L735-L837 HydrophobicContact CB-CD2 4.1Å; L735-L837 HydrophobicContact CB-CG 4.06Å; L735-L837 HydrophobicContact CD1-CD2 4Å; L735-L837 HydrophobicContact CD1-CG 4.14Å |
| 736 | A | 94.1 | Very high | 94.1 | Very high | 20 Ų | 20 | 34 Ų | 34 | 17% | 0.165 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.7 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N620 L624 S732 L734 S740 | N620-A736 PolarHBondContact ND2-O 3.14Å; L624-A736 HydrophobicContact CD2-CB 4.4Å; S732-A736 WeakPolarHBondContact O-CB 3.31Å; S732-A736 PolarHBondContact O-N 3.32Å; L734-A736 PolarHBondContact O-N 3.33Å; A736-S740 WeakPolarHBondContact O-CB 3.48Å; A736-S740 PolarHBondContact O-N 3.43Å |
| 737 | G | 94.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.2 | -50.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D733 L734 L735 K739 S740 Y741 | D733-G737 PolarHBondContact O-N 3.2Å; L734-G737 WeakPolarHBondContact O-CA 3.32Å; L734-G737 PolarHBondContact O-N 3.03Å; L734-G737 VanDerWaalsContact O-N 3.12Å; L735-G737 VanDerWaalsContact C-N 3.28Å; L735-G737 PolarHBondContact O-N 3.38Å; G737-K739 PolarHBondContact O-N 3.26Å; G737-S740 WeakPolarHBondContact O-CB 3.17Å; G737-S740 PolarHBondContact O-N 3.31Å; G737-Y741 WeakPolarHBondContact O-CD2 3.42Å; G737-Y741 PolarHBondContact O-N 3.32Å |
| 738 | I | 95.9 | Very high | 94.2 | Very high | 14 Ų | 14 | 28.5 Ų | 28.5 | 7% | 0.072 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 178.9 | -66.6 | -179.3 | 0 | 0 | 0 | 110.9 | I715 M718 L734 L735 S740 Y741 T742 L764 L837 | I715-I738 HydrophobicContact CG1-CD1 4.19Å; I715-I738 HydrophobicContact CG1-CG1 4.22Å; I715-I738 HydrophobicContact CG2-CD1 3.86Å; M718-I738 HydrophobicContact CE-CG1 3.87Å; L734-I738 HydrophobicContact CD1-CD1 4.17Å; L734-I738 HydrophobicContact CD1-CG1 4.26Å; L734-I738 HydrophobicContact CG-CD1 4.07Å; L734-I738 HydrophobicContact CG-CG1 4.46Å; L734-I738 WeakPolarHBondContact O-CG1 3.24Å; L734-I738 PolarHBondContact O-N 3.38Å; L735-I738 PolarHBondContact O-N 2.89Å; I738-S740 VanDerWaalsContact C-N 3.31Å; I738-S740 PolarHBondContact O-N 3.06Å; I738-Y741 PolarHBondContact O-N 3.41Å; I738-T742 WeakPolarHBondContact O-CB 3.2Å; I738-T742 PolarHBondContact O-N 2.92Å; I738-T742 PolarHBondContact O-OG1 3.2Å; I738-T742 VanDerWaalsContact O-OG1 3.12Å; I738-L764 HydrophobicContact CG2-CD2 3.76Å; I738-L837 HydrophobicContact CD1-CD2 3.6Å |
| 739 | K | 94.9 | Very high | 93.9 | Very high | 103 Ų | 103 | 30.3 Ų | 30.3 | 45% | 0.448 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.3 | -42.3 | 175.7 | -77.7 | 176.8 | 176.3 | 168 | 0 | 112.1 | L735 G737 T742 A743 E836 | L735-K739 HydrophobicContact CD1-CD 4.28Å; L735-K739 HydrophobicContact CD1-CG 4.31Å; L735-K739 HydrophobicContact CG-CD 4.19Å; L735-K739 WeakPolarHBondContact O-CB 3.25Å; L735-K739 WeakPolarHBondContact O-CG 3.21Å; L735-K739 PolarHBondContact O-N 3.16Å; G737-K739 PolarHBondContact O-N 3.26Å; K739-T742 PolarHBondContact O-N 3.13Å; K739-A743 WeakPolarHBondContact O-CB 3.38Å; K739-A743 PolarHBondContact O-N 3.49Å; K739-E836 WeakPolarHBondContact CE-OE2 3.38Å; K739-E836 IonicContact NZ-OE2 2.75Å; K739-E836 PolarHBondContact NZ-OE2 3.02Å |
| 740 | S | 95.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 32.5 Ų | 32.5 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 176.4 | -172.2 | 0 | 0 | 0 | 0 | 112.2 | Q616 R617 A736 G737 I738 S744 | Q616-S740 PolarHBondContact O-OG 3.41Å; R617-S740 WeakPolarHBondContact CA-OG 3.43Å; R617-S740 PolarHBondContact N-OG 3.21Å; A736-S740 WeakPolarHBondContact O-CB 3.48Å; A736-S740 PolarHBondContact O-N 3.43Å; G737-S740 WeakPolarHBondContact O-CB 3.17Å; G737-S740 PolarHBondContact O-N 3.31Å; I738-S740 VanDerWaalsContact C-N 3.31Å; I738-S740 PolarHBondContact O-N 3.06Å; S740-S744 WeakPolarHBondContact O-CB 3.25Å; S740-S744 PolarHBondContact O-N 2.88Å; S740-S744 PolarHBondContact O-OG 3.33Å |
| 741 | Y | 95.3 | Very high | 93.3 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -50.7 | 175 | -94.4 | -104.4 | 0 | 0 | 0 | 111.4 | L610 C613 A614 R617 L711 I714 M718 G737 I738 A743 S744 M745 | L610-Y741 HydrophobicContact CD2-CD1 4.49Å; L610-Y741 HydrophobicContact CD2-CE1 4.32Å; C613-Y741 HydrophobicContact CB-CD1 3.36Å; C613-Y741 HydrophobicContact CB-CD2 4.24Å; C613-Y741 HydrophobicContact CB-CE1 3.42Å; C613-Y741 VanDerWaalsContact CB-CE1 3.42Å; C613-Y741 HydrophobicContact CB-CE2 4.3Å; C613-Y741 HydrophobicContact CB-CG 3.8Å; A614-Y741 WeakPolarHBondContact CA-OH 3.37Å; A614-Y741 WeakPolarHBondContact CB-OH 3.38Å; R617-Y741 HydrophobicContact CB-CD2 4.23Å; R617-Y741 HydrophobicContact CB-CE2 3.9Å; R617-Y741 HydrophobicContact CG-CE2 4.36Å; L711-Y741 HydrophobicContact CD1-CD1 4.1Å; I714-Y741 HydrophobicContact CD1-CE1 4.07Å; I714-Y741 HydrophobicContact CG2-CD1 4.34Å; I714-Y741 HydrophobicContact CG2-CE1 3.7Å; I714-Y741 HydrophobicContact CG2-CE2 4.43Å; M718-Y741 HydrophobicContact CE-CD2 4.48Å; M718-Y741 HydrophobicContact SD-CD2 4.25Å; M718-Y741 HydrophobicContact SD-CE2 4.01Å; G737-Y741 WeakPolarHBondContact O-CD2 3.42Å; G737-Y741 PolarHBondContact O-N 3.32Å; I738-Y741 PolarHBondContact O-N 3.41Å; Y741-A743 PolarHBondContact O-N 3.36Å; Y741-S744 PolarHBondContact O-N 2.91Å; Y741-M745 WeakPolarHBondContact O-CB 3.36Å; Y741-M745 VanDerWaalsContact O-CG 3.29Å; Y741-M745 WeakPolarHBondContact O-CG 3.45Å; Y741-M745 PolarHBondContact O-N 2.78Å |
| 742 | T | 93.9 | Very high | 93.1 | Very high | 30 Ų | 30 | 35.3 Ų | 35.3 | 18% | 0.184 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.7 | -46.8 | 178.8 | -62.4 | 0 | 0 | 0 | 0 | 111.7 | I738 K739 M745 H746 V760 | I738-T742 WeakPolarHBondContact O-CB 3.2Å; I738-T742 PolarHBondContact O-N 2.92Å; I738-T742 PolarHBondContact O-OG1 3.2Å; I738-T742 VanDerWaalsContact O-OG1 3.12Å; K739-T742 PolarHBondContact O-N 3.13Å; T742-M745 PolarHBondContact O-N 2.79Å; T742-H746 PolarHBondContact O-N 2.84Å; T742-H746 PolarHBondContact O-ND1 3.27Å; T742-V760 HydrophobicContact CG2-CG1 3.74Å; T742-V760 HydrophobicContact CG2-CG2 4.3Å |
| 743 | A | 93.2 | Very high | 92.8 | Very high | 69 Ų | 69 | 41.3 Ų | 41.3 | 57% | 0.57 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.4 | -45.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K739 Y741 H746 | K739-A743 WeakPolarHBondContact O-CB 3.38Å; K739-A743 PolarHBondContact O-N 3.49Å; Y741-A743 PolarHBondContact O-N 3.36Å; A743-H746 PolarHBondContact O-N 3.14Å |
| 744 | S | 92.6 | Very high | 92.7 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 21% | 0.21 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66 | -40 | 180 | -57 | 0 | 0 | 0 | 0 | 112.1 | C613 Q616 S740 Y741 H746 G747 | C613-S744 VanDerWaalsContact SG-CB 3.52Å; Q616-S744 VanDerWaalsContact CB-OG 3.28Å; Q616-S744 WeakPolarHBondContact CB-OG 3.42Å; Q616-S744 WeakPolarHBondContact CG-OG 3.23Å; S740-S744 WeakPolarHBondContact O-CB 3.25Å; S740-S744 PolarHBondContact O-N 2.88Å; S740-S744 PolarHBondContact O-OG 3.33Å; Y741-S744 PolarHBondContact O-N 2.91Å; S744-H746 VanDerWaalsContact C-N 3.32Å; S744-H746 PolarHBondContact O-N 3.21Å; S744-G747 PolarHBondContact O-N 3.42Å |
| 745 | M | 92.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 177.7 | -76.2 | -170 | 70.8 | 0 | 0 | 113 | V609 C613 L707 L711 Y741 T742 G747 L748 V756 L759 | V609-M745 HydrophobicContact CG1-CG 4.35Å; C613-M745 VanDerWaalsContact SG-CG 3.57Å; L707-M745 HydrophobicContact CB-CE 4.25Å; L707-M745 HydrophobicContact CD1-CE 4.26Å; L707-M745 HydrophobicContact CD2-CE 4.21Å; L707-M745 HydrophobicContact CG-CE 4.49Å; L711-M745 HydrophobicContact CD1-SD 3.94Å; L711-M745 HydrophobicContact CD2-CE 4.46Å; L711-M745 HydrophobicContact CD2-SD 3.81Å; L711-M745 HydrophobicContact CG-SD 4.37Å; Y741-M745 WeakPolarHBondContact O-CB 3.36Å; Y741-M745 VanDerWaalsContact O-CG 3.29Å; Y741-M745 WeakPolarHBondContact O-CG 3.45Å; Y741-M745 PolarHBondContact O-N 2.78Å; T742-M745 PolarHBondContact O-N 2.79Å; M745-G747 PolarHBondContact O-N 3.08Å; M745-G747 VanDerWaalsContact O-N 3.14Å; M745-L748 WeakPolarHBondContact O-CB 3.34Å; M745-L748 PolarHBondContact O-N 3.21Å; M745-V756 HydrophobicContact CB-CG1 4.03Å; M745-L759 HydrophobicContact CE-CD1 4.44Å; M745-L759 HydrophobicContact CE-CD2 3.46Å; M745-L759 VanDerWaalsContact CE-CD2 3.46Å; M745-L759 HydrophobicContact SD-CD2 4.44Å |
| 746 | H | 92.4 | Very high | 92.3 | Very high | 74 Ų | 74 | 43.8 Ų | 43.8 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.9 | -20.7 | 174.9 | -77.3 | 84.5 | 0 | 0 | 0 | 112.2 | T742 A743 S744 L748 A749 T757 | T742-H746 PolarHBondContact O-N 2.84Å; T742-H746 PolarHBondContact O-ND1 3.27Å; A743-H746 PolarHBondContact O-N 3.14Å; S744-H746 VanDerWaalsContact C-N 3.32Å; S744-H746 PolarHBondContact O-N 3.21Å; H746-L748 PolarHBondContact O-N 3.37Å; H746-A749 WeakPolarHBondContact O-CB 3.46Å; H746-A749 PolarHBondContact O-N 3.14Å; H746-T757 PolarHBondContact NE2-OG1 2.9Å |
| 747 | G | 88.6 | Confident | 92.3 | Very high | 40 Ų | 40 | 45.7 Ų | 45.7 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -60.5 | -26 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S744 M745 A749 G750 Y751 | S744-G747 PolarHBondContact O-N 3.42Å; M745-G747 PolarHBondContact O-N 3.08Å; M745-G747 VanDerWaalsContact O-N 3.14Å; G747-A749 VanDerWaalsContact C-N 3.26Å; G747-A749 PolarHBondContact O-N 3.03Å; G747-G750 PolarHBondContact O-N 2.98Å; G747-G750 VanDerWaalsContact O-N 3.11Å; G747-Y751 WeakPolarHBondContact O-CD2 3.27Å |
| 748 | L | 91.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -61.4 | -34.3 | 177 | -179.3 | 61.2 | 0 | 0 | 0 | 112.4 | V609 L677 L703 L707 M745 H746 G750 Y751 I752 V754 V756 | V609-L748 HydrophobicContact CG2-CD1 3.94Å; V609-L748 HydrophobicContact CG2-CD2 4.37Å; L677-L748 HydrophobicContact CD1-CD1 4.4Å; L703-L748 HydrophobicContact CD2-CD2 4.22Å; L707-L748 HydrophobicContact CD1-CD2 3.64Å; M745-L748 WeakPolarHBondContact O-CB 3.34Å; M745-L748 PolarHBondContact O-N 3.21Å; H746-L748 PolarHBondContact O-N 3.37Å; L748-G750 PolarHBondContact O-N 3.25Å; L748-G750 VanDerWaalsContact O-N 3.13Å; L748-Y751 PolarHBondContact O-N 3.41Å; L748-I752 HydrophobicContact CD1-CD1 4.4Å; L748-I752 PolarHBondContact O-N 3.5Å; L748-V754 HydrophobicContact CD2-CG2 4.06Å; L748-V754 HydrophobicContact CG-CG2 4.01Å; L748-V756 HydrophobicContact CB-CG2 4.32Å |
| 749 | A | 89.1 | Confident | 92.3 | Very high | 53 Ų | 53 | 50.6 Ų | 50.6 | 44% | 0.438 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -63.3 | -18.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H746 G747 Y751 I752 V756 | H746-A749 WeakPolarHBondContact O-CB 3.46Å; H746-A749 PolarHBondContact O-N 3.14Å; G747-A749 VanDerWaalsContact C-N 3.26Å; G747-A749 PolarHBondContact O-N 3.03Å; A749-Y751 VanDerWaalsContact C-N 3.31Å; A749-I752 WeakPolarHBondContact CA-O 3.38Å; A749-V756 HydrophobicContact CB-CG2 4.3Å |
| 750 | G | 88.8 | Confident | 92.3 | Very high | 72 Ų | 72 | 46.1 Ų | 46.1 | 74% | 0.742 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -74.9 | -16.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G747 L748 | G747-G750 PolarHBondContact O-N 2.98Å; G747-G750 VanDerWaalsContact O-N 3.11Å; L748-G750 PolarHBondContact O-N 3.25Å; L748-G750 VanDerWaalsContact O-N 3.13Å |
| 751 | Y | 90.1 | Very high | 92.3 | Very high | 98 Ų | 98 | 52.3 Ų | 52.3 | 38% | 0.384 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -38 | -178.1 | -62.7 | -91.3 | 0 | 0 | 0 | 113.2 | L677 T678 C681 G747 L748 A749 | L677-Y751 HydrophobicContact CD2-CD2 4.18Å; L677-Y751 HydrophobicContact CD2-CE2 3.8Å; T678-Y751 WeakPolarHBondContact OG1-CE1 3.36Å; C681-Y751 HydrophobicContact CB-CD1 4.39Å; C681-Y751 HydrophobicContact CB-CG 4.28Å; G747-Y751 WeakPolarHBondContact O-CD2 3.27Å; L748-Y751 PolarHBondContact O-N 3.41Å; A749-Y751 VanDerWaalsContact C-N 3.31Å |
| 752 | I | 91.6 | Very high | 92.3 | Very high | 17 Ų | 17 | 53.6 Ų | 53.6 | 9% | 0.087 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -133.9 | 144.8 | -178.2 | -47.3 | 172.2 | 0 | 0 | 0 | 108.6 | C681 Y684 T700 L703 L748 A749 V754 | C681-I752 HydrophobicContact CB-CD1 3.84Å; C681-I752 HydrophobicContact CB-CG1 3.64Å; Y684-I752 HydrophobicContact CD1-CD1 4.4Å; Y684-I752 HydrophobicContact CD2-CD1 3.48Å; Y684-I752 VanDerWaalsContact CD2-CD1 3.48Å; Y684-I752 HydrophobicContact CD2-CG1 4.47Å; Y684-I752 HydrophobicContact CE2-CD1 3.91Å; Y684-I752 HydrophobicContact CG-CD1 3.75Å; Y684-I752 HydrophobicContact CG-CG2 4.47Å; T700-I752 HydrophobicContact CG2-CG2 3.95Å; L703-I752 HydrophobicContact CD2-CD1 3.98Å; L748-I752 HydrophobicContact CD1-CD1 4.4Å; L748-I752 PolarHBondContact O-N 3.5Å; A749-I752 WeakPolarHBondContact CA-O 3.38Å; I752-V754 HydrophobicContact CB-CG1 4.38Å; I752-V754 HydrophobicContact CG2-CG1 3.97Å; I752-V754 PolarHBondContact O-N 3.34Å |
| 753 | N | 89 | Confident | 92.4 | Very high | 162 Ų | 162 | 52.2 Ų | 52.2 | 87% | 0.866 | 31% | 0.306 | S | S | * | . | trans | -72.9 | 85.8 | 173 | -172.2 | 30 | 0 | 0 | 0 | 111.2 | ||||
| 754 | V | 90.9 | Very high | 92.5 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | trans | -132.4 | 142 | 179.1 | -70.7 | 0 | 0 | 0 | 0 | 111.5 | T700 L704 L748 I752 V756 | T700-V754 HydrophobicContact CG2-CG1 3.88Å; L704-V754 HydrophobicContact CD2-CB 4.2Å; L748-V754 HydrophobicContact CD2-CG2 4.06Å; L748-V754 HydrophobicContact CG-CG2 4.01Å; I752-V754 HydrophobicContact CB-CG1 4.38Å; I752-V754 HydrophobicContact CG2-CG1 3.97Å; I752-V754 PolarHBondContact O-N 3.34Å; V754-V756 HydrophobicContact CG2-CG2 3.87Å; V754-V756 PolarHBondContact O-N 2.97Å | ||
| 755 | D | 91.4 | Very high | 92.8 | Very high | 85 Ų | 85 | 55 Ų | 55 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | trans | -83.5 | 79.6 | 177.2 | -169.7 | -10.2 | 0 | 0 | 0 | 111.4 | T757 R758 L759 | D755-T757 PolarHBondContact O-N 3.08Å; D755-T757 WeakPolarHBondContact OD1-CB 3.44Å; D755-T757 PolarHBondContact OD1-N 2.89Å; D755-T757 VanDerWaalsContact OD1-N 3.16Å; D755-R758 HydrophobicContact CB-CB 4.16Å; D755-R758 VanDerWaalsContact CG-CB 3.45Å; D755-R758 PolarHBondContact O-N 3.45Å; D755-R758 PolarHBondContact OD1-N 3.2Å; D755-R758 WeakPolarHBondContact OD2-CB 3.36Å; D755-L759 PolarHBondContact O-N 3.47Å | ||
| 756 | V | 93.6 | Very high | 92.9 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.03 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.9 | -29.7 | 175.8 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | M745 L748 A749 V754 L759 V760 | M745-V756 HydrophobicContact CB-CG1 4.03Å; L748-V756 HydrophobicContact CB-CG2 4.32Å; A749-V756 HydrophobicContact CB-CG2 4.3Å; V754-V756 HydrophobicContact CG2-CG2 3.87Å; V754-V756 PolarHBondContact O-N 2.97Å; V756-L759 WeakPolarHBondContact O-CB 3.39Å; V756-L759 PolarHBondContact O-N 3.33Å; V756-V760 HydrophobicContact CG1-CG2 4.12Å; V756-V760 WeakPolarHBondContact O-CG2 3.34Å; V756-V760 PolarHBondContact O-N 3.26Å |
| 757 | T | 94.1 | Very high | 93.2 | Very high | 59 Ų | 59 | 54 Ų | 54 | 36% | 0.362 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 180 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | H746 D755 K761 | H746-T757 PolarHBondContact NE2-OG1 2.9Å; D755-T757 PolarHBondContact O-N 3.08Å; D755-T757 WeakPolarHBondContact OD1-CB 3.44Å; D755-T757 PolarHBondContact OD1-N 2.89Å; D755-T757 VanDerWaalsContact OD1-N 3.16Å; T757-K761 HydrophobicContact CG2-CD 4.02Å; T757-K761 HydrophobicContact CG2-CG 4.48Å; T757-K761 WeakPolarHBondContact O-CB 3.37Å; T757-K761 VanDerWaalsContact O-CG 3.25Å; T757-K761 WeakPolarHBondContact O-CG 3.4Å; T757-K761 PolarHBondContact O-N 3.37Å |
| 758 | R | 94.6 | Very high | 93.6 | Very high | 120 Ų | 120 | 52.8 Ų | 52.8 | 45% | 0.453 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59 | -47.1 | 172.3 | -177.8 | -176.7 | 76.5 | 153.5 | -0.4 | 111.2 | E701 D755 K761 S762 | E701-R758 IonicContact OE1-NH2 3.61Å; E701-R758 IonicContact OE2-NH2 3.36Å; E701-R758 PolarHBondContact OE2-NH2 3.05Å; D755-R758 HydrophobicContact CB-CB 4.16Å; D755-R758 VanDerWaalsContact CG-CB 3.45Å; D755-R758 PolarHBondContact O-N 3.45Å; D755-R758 PolarHBondContact OD1-N 3.2Å; D755-R758 WeakPolarHBondContact OD2-CB 3.36Å; R758-K761 PolarHBondContact O-N 3.41Å; R758-S762 WeakPolarHBondContact O-CB 3.47Å; R758-S762 PolarHBondContact O-N 3.34Å |
| 759 | L | 94.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.4 | -53.3 | 178.8 | 177 | 148.7 | 0 | 0 | 0 | 111.7 | L704 L707 E708 L711 M745 D755 V756 K761 S762 V763 | L704-L759 HydrophobicContact CB-CD1 4.48Å; L704-L759 HydrophobicContact CD2-CB 4.35Å; L704-L759 HydrophobicContact CD2-CD1 3.77Å; L704-L759 WeakPolarHBondContact O-CD1 3.12Å; L707-L759 HydrophobicContact CB-CD1 3.52Å; L707-L759 HydrophobicContact CD1-CD1 4.36Å; E708-L759 HydrophobicContact CG-CB 4.37Å; E708-L759 HydrophobicContact CG-CD1 3.77Å; E708-L759 HydrophobicContact CG-CG 3.57Å; L711-L759 HydrophobicContact CD2-CD2 3.96Å; M745-L759 HydrophobicContact CE-CD1 4.44Å; M745-L759 HydrophobicContact CE-CD2 3.46Å; M745-L759 VanDerWaalsContact CE-CD2 3.46Å; M745-L759 HydrophobicContact SD-CD2 4.44Å; D755-L759 PolarHBondContact O-N 3.47Å; V756-L759 WeakPolarHBondContact O-CB 3.39Å; V756-L759 PolarHBondContact O-N 3.33Å; L759-K761 PolarHBondContact O-N 2.95Å; L759-S762 PolarHBondContact O-N 3.4Å; L759-V763 PolarHBondContact O-N 3Å; L759-V763 VanDerWaalsContact O-N 3.11Å |
| 760 | V | 95.2 | Very high | 94.2 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.055 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | -178.7 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | T742 V756 S762 V763 L764 | T742-V760 HydrophobicContact CG2-CG1 3.74Å; T742-V760 HydrophobicContact CG2-CG2 4.3Å; V756-V760 HydrophobicContact CG1-CG2 4.12Å; V756-V760 WeakPolarHBondContact O-CG2 3.34Å; V756-V760 PolarHBondContact O-N 3.26Å; V760-S762 VanDerWaalsContact C-N 3.34Å; V760-S762 PolarHBondContact O-N 3.38Å; V760-V763 PolarHBondContact O-N 2.94Å; V760-L764 HydrophobicContact CG1-CD1 3.52Å; V760-L764 HydrophobicContact CG1-CG 3.95Å; V760-L764 WeakPolarHBondContact O-CB 3.49Å; V760-L764 VanDerWaalsContact O-CG 3.31Å; V760-L764 WeakPolarHBondContact O-CG 3.39Å; V760-L764 PolarHBondContact O-N 3.44Å |
| 761 | K | 94.6 | Very high | 94.6 | Very high | 143 Ų | 143 | 56.9 Ų | 56.9 | 62% | 0.622 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 178 | -77 | 175.9 | 178.7 | 176.3 | 0 | 111.8 | T757 R758 L759 L765 | T757-K761 HydrophobicContact CG2-CD 4.02Å; T757-K761 HydrophobicContact CG2-CG 4.48Å; T757-K761 WeakPolarHBondContact O-CB 3.37Å; T757-K761 VanDerWaalsContact O-CG 3.25Å; T757-K761 WeakPolarHBondContact O-CG 3.4Å; T757-K761 PolarHBondContact O-N 3.37Å; R758-K761 PolarHBondContact O-N 3.41Å; L759-K761 PolarHBondContact O-N 2.95Å; K761-L765 WeakPolarHBondContact O-CB 3.41Å; K761-L765 PolarHBondContact O-N 2.81Å |
| 762 | S | 94.8 | Very high | 94.8 | Very high | 41 Ų | 41 | 53.3 Ų | 53.3 | 29% | 0.287 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.7 | -52.8 | 178.2 | -175.8 | 0 | 0 | 0 | 0 | 111 | R758 L759 V760 Q766 | R758-S762 WeakPolarHBondContact O-CB 3.47Å; R758-S762 PolarHBondContact O-N 3.34Å; L759-S762 PolarHBondContact O-N 3.4Å; V760-S762 VanDerWaalsContact C-N 3.34Å; V760-S762 PolarHBondContact O-N 3.38Å; S762-Q766 WeakPolarHBondContact O-CG 3.43Å; S762-Q766 PolarHBondContact O-N 2.96Å |
| 763 | V | 96.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.7 | -50.7 | -178.5 | 173 | 0 | 0 | 0 | 0 | 111.8 | E708 L711 T712 I715 L759 V760 L765 Q766 Q767 | E708-V763 HydrophobicContact CB-CG2 4.2Å; E708-V763 HydrophobicContact CG-CG2 4.2Å; L711-V763 HydrophobicContact CB-CG1 4.44Å; L711-V763 HydrophobicContact CD2-CB 4.15Å; L711-V763 HydrophobicContact CD2-CG1 4Å; L711-V763 HydrophobicContact CD2-CG2 4.23Å; L711-V763 HydrophobicContact CG-CG1 4.01Å; T712-V763 WeakPolarHBondContact OG1-CG1 3.3Å; I715-V763 HydrophobicContact CD1-CG1 3.73Å; L759-V763 PolarHBondContact O-N 3Å; L759-V763 VanDerWaalsContact O-N 3.11Å; V760-V763 PolarHBondContact O-N 2.94Å; V763-L765 PolarHBondContact O-N 3.28Å; V763-Q766 PolarHBondContact O-N 3.23Å; V763-Q767 WeakPolarHBondContact O-CG 3.32Å; V763-Q767 PolarHBondContact O-N 2.92Å |
| 764 | L | 96.8 | Very high | 95 | Very high | 57 Ų | 57 | 56.6 Ų | 56.6 | 30% | 0.298 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.5 | -36.6 | -177 | -65 | -176.7 | 0 | 0 | 0 | 112.3 | I715 I738 V760 Q766 Q767 | I715-L764 HydrophobicContact CD1-CD2 3.93Å; I738-L764 HydrophobicContact CG2-CD2 3.76Å; V760-L764 HydrophobicContact CG1-CD1 3.52Å; V760-L764 HydrophobicContact CG1-CG 3.95Å; V760-L764 WeakPolarHBondContact O-CB 3.49Å; V760-L764 VanDerWaalsContact O-CG 3.31Å; V760-L764 WeakPolarHBondContact O-CG 3.39Å; V760-L764 PolarHBondContact O-N 3.44Å; L764-Q766 VanDerWaalsContact C-N 3.33Å; L764-Q766 PolarHBondContact O-N 2.73Å; L764-Q767 PolarHBondContact O-N 2.95Å |
| 765 | L | 96.9 | Very high | 95.1 | Very high | 101 Ų | 101 | 58.3 Ų | 58.3 | 53% | 0.529 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 177.2 | -177.3 | 61.9 | 0 | 0 | 0 | 111.4 | K761 V763 Q767 T768 Y841 | K761-L765 WeakPolarHBondContact O-CB 3.41Å; K761-L765 PolarHBondContact O-N 2.81Å; V763-L765 PolarHBondContact O-N 3.28Å; L765-Q767 VanDerWaalsContact C-N 3.27Å; L765-Q767 PolarHBondContact O-N 3.47Å; L765-T768 WeakPolarHBondContact O-CB 3.43Å; L765-T768 PolarHBondContact O-N 3.33Å; L765-T768 VanDerWaalsContact O-N 3.12Å; L765-T768 PolarHBondContact O-OG1 3.48Å; L765-Y841 HydrophobicContact CD1-CD2 4.3Å; L765-Y841 HydrophobicContact CD1-CE2 4.07Å |
| 766 | Q | 96.2 | Very high | 95.2 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.8 | -37 | 175 | -70.2 | -177.4 | 32.2 | 0 | 0 | 112.1 | S762 V763 L764 T768 Q769 D772 S773 | S762-Q766 WeakPolarHBondContact O-CG 3.43Å; S762-Q766 PolarHBondContact O-N 2.96Å; V763-Q766 PolarHBondContact O-N 3.23Å; L764-Q766 VanDerWaalsContact C-N 3.33Å; L764-Q766 PolarHBondContact O-N 2.73Å; Q766-T768 PolarHBondContact O-N 3.48Å; Q766-T768 VanDerWaalsContact O-N 3.11Å; Q766-Q769 WeakPolarHBondContact O-CB 3.3Å; Q766-Q769 PolarHBondContact O-N 2.93Å; Q766-D772 HydrophobicContact CB-CB 4.47Å; Q766-S773 PolarHBondContact OE1-OG 3.32Å |
| 767 | Q | 97.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.028 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.4 | -16.1 | 178 | -63.9 | -53.3 | -46.6 | 0 | 0 | 114 | I715 I716 V763 L764 L765 V779 T780 | I715-Q767 HydrophobicContact CG2-CG 4.19Å; I716-Q767 VanDerWaalsContact CD1-OE1 3.29Å; V763-Q767 WeakPolarHBondContact O-CG 3.32Å; V763-Q767 PolarHBondContact O-N 2.92Å; L764-Q767 PolarHBondContact O-N 2.95Å; L765-Q767 VanDerWaalsContact C-N 3.27Å; L765-Q767 PolarHBondContact O-N 3.47Å; Q767-V779 HydrophobicContact CB-CB 4.43Å; Q767-V779 HydrophobicContact CB-CG2 4.35Å; Q767-V779 HydrophobicContact CG-CG2 4.44Å; Q767-V779 VanDerWaalsContact OE1-N 3.1Å; Q767-T780 PolarHBondContact O-N 3.09Å; Q767-T780 PolarHBondContact O-OG1 3.46Å |
| 768 | T | 97.5 | Very high | 95.5 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 9% | 0.092 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -78.5 | -22.4 | 174.8 | 73.5 | 0 | 0 | 0 | 0 | 113.2 | L765 Q766 T780 I838 G842 | L765-T768 WeakPolarHBondContact O-CB 3.43Å; L765-T768 PolarHBondContact O-N 3.33Å; L765-T768 VanDerWaalsContact O-N 3.12Å; L765-T768 PolarHBondContact O-OG1 3.48Å; Q766-T768 PolarHBondContact O-N 3.48Å; Q766-T768 VanDerWaalsContact O-N 3.11Å; T768-T780 VanDerWaalsContact C-OG1 3.22Å; T768-T780 WeakPolarHBondContact CA-OG1 3.28Å; T768-T780 PolarHBondContact O-OG1 2.95Å; T768-I838 VanDerWaalsContact CB-O 3.28Å; T768-I838 WeakPolarHBondContact CB-O 3.36Å; T768-I838 WeakPolarHBondContact CG2-O 3.49Å; T768-G842 WeakPolarHBondContact O-CA 3.18Å; T768-G842 PolarHBondContact O-N 3.17Å |
| 769 | Q | 97.6 | Very high | 95.7 | Very high | 78 Ų | 78 | 48.8 Ų | 48.8 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -81.7 | 158.8 | 176.9 | -58.3 | -54.9 | -53.1 | 0 | 0 | 110.7 | Q766 L771 T778 | Q766-Q769 WeakPolarHBondContact O-CB 3.3Å; Q766-Q769 PolarHBondContact O-N 2.93Å; Q769-L771 VanDerWaalsContact C-N 3.32Å; Q769-L771 WeakPolarHBondContact CB-O 3.38Å; Q769-L771 PolarHBondContact O-N 2.94Å; Q769-T778 VanDerWaalsContact O-CB 3.25Å; Q769-T778 WeakPolarHBondContact O-CB 3.45Å; Q769-T778 WeakPolarHBondContact O-CG2 3.39Å; Q769-T778 PolarHBondContact O-OG1 3.49Å |
| 770 | P | 96.2 | Very high | 95.8 | Very high | 41 Ų | 41 | 48.7 Ų | 48.7 | 27% | 0.266 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -67 | -31.2 | 176.3 | 25.8 | -34.5 | 0 | 0 | 0 | 113.5 | T778 H781 F845 | P770-T778 PolarHBondContact O-N 3.41Å; P770-T778 PolarHBondContact O-OG1 3.19Å; P770-H781 VanDerWaalsContact O-CB 3.3Å; P770-H781 WeakPolarHBondContact O-CB 3.48Å; P770-F845 HydrophobicContact CB-CD1 4.44Å; P770-F845 HydrophobicContact CB-CD2 4.22Å; P770-F845 HydrophobicContact CB-CE1 4.03Å; P770-F845 HydrophobicContact CB-CE2 3.8Å; P770-F845 HydrophobicContact CB-CZ 3.69Å; P770-F845 HydrophobicContact CG-CD2 4.22Å; P770-F845 HydrophobicContact CG-CE2 4.04Å; P770-F845 HydrophobicContact CG-CZ 4.44Å |
| 771 | L | 96.7 | Very high | 95.9 | Very high | 95 Ų | 95 | 51.5 Ų | 51.5 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -128.3 | 145.5 | 175.2 | -60.3 | 175.4 | 0 | 0 | 0 | 109.4 | Q769 G776 | Q769-L771 VanDerWaalsContact C-N 3.32Å; Q769-L771 WeakPolarHBondContact CB-O 3.38Å; Q769-L771 PolarHBondContact O-N 2.94Å; L771-G776 CarbonylContact C-O 3.6Å; L771-G776 VanDerWaalsContact CA-O 3.26Å; L771-G776 WeakPolarHBondContact CA-O 3.46Å |
| 772 | D | 94.3 | Very high | 96.1 | Very high | 24 Ų | 24 | 47 Ų | 47 | 13% | 0.128 | 27% | 0.266 | C | S | . | . | trans | -78.3 | 179.9 | 173.7 | 72 | 21.2 | 0 | 0 | 0 | 112.1 | Q766 H774 G775 G776 T778 | Q766-D772 HydrophobicContact CB-CB 4.47Å; D772-H774 PolarHBondContact O-N 2.89Å; D772-H774 VanDerWaalsContact O-N 3.12Å; D772-H774 VanDerWaalsContact OD1-CA 3.3Å; D772-H774 WeakPolarHBondContact OD1-CA 3.34Å; D772-H774 WeakPolarHBondContact OD1-CB 3.47Å; D772-H774 PolarHBondContact OD1-N 3.39Å; D772-G775 PolarHBondContact O-N 3.47Å; D772-G775 PolarHBondContact OD1-N 3.14Å; D772-G776 PolarHBondContact N-O 2.85Å; D772-G776 PolarHBondContact OD1-N 3.32Å; D772-T778 HydrophobicContact CB-CG2 4.13Å | ||
| 773 | S | 92.6 | Very high | 96.2 | Very high | 82 Ų | 82 | 45.1 Ų | 45.1 | 57% | 0.573 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -14.7 | -179.2 | 63.9 | 0 | 0 | 0 | 0 | 114.6 | Q766 | Q766-S773 PolarHBondContact OE1-OG 3.32Š|
| 774 | H | 91.8 | Very high | 96.3 | Very high | 165 Ų | 165 | 45.2 Ų | 45.2 | 76% | 0.764 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 4.1 | 177.9 | -56.2 | 92.3 | 0 | 0 | 0 | 112.1 | D772 G776 | D772-H774 PolarHBondContact O-N 2.89Å; D772-H774 VanDerWaalsContact O-N 3.12Å; D772-H774 VanDerWaalsContact OD1-CA 3.3Å; D772-H774 WeakPolarHBondContact OD1-CA 3.34Å; D772-H774 WeakPolarHBondContact OD1-CB 3.47Å; D772-H774 PolarHBondContact OD1-N 3.39Å; H774-G776 VanDerWaalsContact C-N 3.32Å |
| 775 | G | 93.3 | Very high | 96.3 | Very high | 50 Ų | 50 | 44.2 Ų | 44.2 | 52% | 0.515 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 78.5 | 13.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | D772 | D772-G775 PolarHBondContact O-N 3.47Å; D772-G775 PolarHBondContact OD1-N 3.14Å |
| 776 | G | 94 | Very high | 96.3 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 21% | 0.206 | 23% | 0.225 | C | C | . | . | trans | -79.3 | 146.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L771 D772 H774 | L771-G776 CarbonylContact C-O 3.6Å; L771-G776 VanDerWaalsContact CA-O 3.26Å; L771-G776 WeakPolarHBondContact CA-O 3.46Å; D772-G776 PolarHBondContact N-O 2.85Å; D772-G776 PolarHBondContact OD1-N 3.32Å; H774-G776 VanDerWaalsContact C-N 3.32Å | ||
| 777 | P | 96.3 | Very high | 96.3 | Very high | 46 Ų | 46 | 37.4 Ų | 37.4 | 30% | 0.299 | 22% | 0.215 | S | C | . | . | B | Isolated β-bridge | trans | -68.1 | 140.4 | 175.2 | 29.4 | -36.2 | 0 | 0 | 0 | 112 | I716 H781 Y782 | I716-P777 WeakPolarHBondContact CD1-O 3.49Å; P777-H781 HydrophobicContact CB-CB 4.38Å; P777-Y782 HydrophobicContact CB-CE1 4.31Å; P777-Y782 HydrophobicContact CB-CE2 3.97Å; P777-Y782 HydrophobicContact CG-CE1 4.34Å; P777-Y782 HydrophobicContact CG-CE2 3.97Å; P777-Y782 WeakPolarHBondContact CG-OH 3.4Å |
| 778 | T | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -104.4 | 176 | -175 | 64.8 | 0 | 0 | 0 | 0 | 113.3 | Q769 P770 D772 T780 H781 Y782 | Q769-T778 VanDerWaalsContact O-CB 3.25Å; Q769-T778 WeakPolarHBondContact O-CB 3.45Å; Q769-T778 WeakPolarHBondContact O-CG2 3.39Å; Q769-T778 PolarHBondContact O-OG1 3.49Å; P770-T778 PolarHBondContact O-N 3.41Å; P770-T778 PolarHBondContact O-OG1 3.19Å; D772-T778 HydrophobicContact CB-CG2 4.13Å; T778-T780 VanDerWaalsContact C-N 3.27Å; T778-T780 PolarHBondContact O-N 2.85Å; T778-T780 PolarHBondContact OG1-N 3.43Å; T778-H781 PolarHBondContact O-N 2.81Å; T778-H781 VanDerWaalsContact O-N 3.13Å; T778-H781 PolarHBondContact OG1-N 3.41Å; T778-Y782 WeakPolarHBondContact O-CD2 3.14Å; T778-Y782 PolarHBondContact O-N 3.35Å | ||
| 779 | V | 97.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -49.8 | -46.8 | 166.8 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | I715 I716 L734 Q767 H781 Y782 Y783 I838 | I715-V779 HydrophobicContact CG2-CG2 3.53Å; I716-V779 HydrophobicContact CD1-CG2 4.48Å; L734-V779 HydrophobicContact CD2-CG1 4.1Å; L734-V779 HydrophobicContact CD2-CG2 4.43Å; Q767-V779 HydrophobicContact CB-CB 4.43Å; Q767-V779 HydrophobicContact CB-CG2 4.35Å; Q767-V779 HydrophobicContact CG-CG2 4.44Å; Q767-V779 VanDerWaalsContact OE1-N 3.1Å; V779-H781 VanDerWaalsContact C-N 3.35Å; V779-H781 PolarHBondContact O-N 2.73Å; V779-Y782 PolarHBondContact O-N 3.12Å; V779-Y783 HydrophobicContact CG1-CD2 3.56Å; V779-Y783 HydrophobicContact CG1-CE2 3.67Å; V779-Y783 WeakPolarHBondContact O-CD2 3.41Å; V779-Y783 PolarHBondContact O-N 2.84Å; V779-I838 HydrophobicContact CG1-CG2 3.97Å |
| 780 | T | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55 | -47.8 | 176.1 | -69.7 | 0 | 0 | 0 | 0 | 112.2 | Q767 T768 T778 T784 I838 F845 | Q767-T780 PolarHBondContact O-N 3.09Å; Q767-T780 PolarHBondContact O-OG1 3.46Å; T768-T780 VanDerWaalsContact C-OG1 3.22Å; T768-T780 WeakPolarHBondContact CA-OG1 3.28Å; T768-T780 PolarHBondContact O-OG1 2.95Å; T778-T780 VanDerWaalsContact C-N 3.27Å; T778-T780 PolarHBondContact O-N 2.85Å; T778-T780 PolarHBondContact OG1-N 3.43Å; T780-T784 WeakPolarHBondContact O-CB 3.29Å; T780-T784 PolarHBondContact O-N 2.64Å; T780-T784 PolarHBondContact O-OG1 2.98Å; T780-I838 WeakPolarHBondContact OG1-CB 3.35Å; T780-F845 HydrophobicContact CG2-CB 4.21Å; T780-F845 HydrophobicContact CG2-CD1 3.58Å; T780-F845 HydrophobicContact CG2-CE1 4.35Å; T780-F845 HydrophobicContact CG2-CG 4.18Å |
| 781 | H | 97.3 | Very high | 95.6 | Very high | 68 Ų | 68 | 35.5 Ų | 35.5 | 32% | 0.315 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.1 | -46.2 | -178.6 | 174.5 | 79.4 | 0 | 0 | 0 | 112 | P770 P777 T778 V779 T784 T785 | P770-H781 VanDerWaalsContact O-CB 3.3Å; P770-H781 WeakPolarHBondContact O-CB 3.48Å; P777-H781 HydrophobicContact CB-CB 4.38Å; T778-H781 PolarHBondContact O-N 2.81Å; T778-H781 VanDerWaalsContact O-N 3.13Å; T778-H781 PolarHBondContact OG1-N 3.41Å; V779-H781 VanDerWaalsContact C-N 3.35Å; V779-H781 PolarHBondContact O-N 2.73Å; H781-T784 PolarHBondContact O-N 3.06Å; H781-T785 WeakPolarHBondContact O-CB 3.21Å; H781-T785 PolarHBondContact O-N 3.09Å; H781-T785 PolarHBondContact O-OG1 3.04Å |
| 782 | Y | 97.8 | Very high | 95.5 | Very high | 49 Ų | 49 | 31.3 Ų | 31.3 | 19% | 0.192 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.7 | -47.5 | -177.4 | -71.7 | -56.4 | 0 | 0 | 0 | 112.6 | I716 Y721 P777 T778 V779 T785 W786 | I716-Y782 HydrophobicContact CD1-CE2 4.28Å; I716-Y782 HydrophobicContact CG2-CE2 3.83Å; Y721-Y782 AromaticContact CD1-CD1 3.22Å; Y721-Y782 HydrophobicContact CD1-CD1 3.22Å; Y721-Y782 AromaticContact CD1-CE1 3.51Å; Y721-Y782 HydrophobicContact CD1-CE1 3.51Å; Y721-Y782 HydrophobicContact CD1-CG 4.22Å; Y721-Y782 AromaticContact CE1-CD1 3.81Å; Y721-Y782 HydrophobicContact CE1-CD1 3.81Å; Y721-Y782 HydrophobicContact CE1-CE1 4.12Å; Y721-Y782 AromaticContact CG-CD1 3.7Å; Y721-Y782 HydrophobicContact CG-CD1 3.7Å; Y721-Y782 HydrophobicContact CG-CE1 4.3Å; Y721-Y782 HydrophobicContact CG-CG 4.28Å; P777-Y782 HydrophobicContact CB-CE1 4.31Å; P777-Y782 HydrophobicContact CB-CE2 3.97Å; P777-Y782 HydrophobicContact CG-CE1 4.34Å; P777-Y782 HydrophobicContact CG-CE2 3.97Å; P777-Y782 WeakPolarHBondContact CG-OH 3.4Å; T778-Y782 WeakPolarHBondContact O-CD2 3.14Å; T778-Y782 PolarHBondContact O-N 3.35Å; V779-Y782 PolarHBondContact O-N 3.12Å; Y782-T785 PolarHBondContact O-N 2.87Å; Y782-W786 WeakPolarHBondContact O-CB 3.24Å; Y782-W786 PolarHBondContact O-N 3.3Å |
| 783 | Y | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.9 | -41.3 | 177.1 | -80.6 | -72.4 | 0 | 0 | 0 | 112.1 | T719 I728 T729 P731 L734 V779 T785 W786 Y787 L834 | T719-Y783 HydrophobicContact CG2-CE2 4.15Å; I728-Y783 HydrophobicContact CD1-CD1 3.64Å; I728-Y783 HydrophobicContact CD1-CD2 4.41Å; I728-Y783 HydrophobicContact CD1-CE1 3.65Å; I728-Y783 HydrophobicContact CD1-CE2 4.43Å; I728-Y783 HydrophobicContact CD1-CG 4.03Å; I728-Y783 HydrophobicContact CG1-CE1 4.04Å; I728-Y783 HydrophobicContact CG2-CE1 4.36Å; T729-Y783 WeakPolarHBondContact O-CE1 3.47Å; T729-Y783 PolarHBondContact O-OH 3.49Å; P731-Y783 HydrophobicContact CG-CD1 4.38Å; P731-Y783 HydrophobicContact CG-CE1 3.78Å; L734-Y783 HydrophobicContact CD2-CE2 3.64Å; L734-Y783 WeakPolarHBondContact CD2-OH 3.39Å; V779-Y783 HydrophobicContact CG1-CD2 3.56Å; V779-Y783 HydrophobicContact CG1-CE2 3.67Å; V779-Y783 WeakPolarHBondContact O-CD2 3.41Å; V779-Y783 PolarHBondContact O-N 2.84Å; Y783-T785 VanDerWaalsContact C-N 3.31Å; Y783-T785 PolarHBondContact O-N 3.24Å; Y783-W786 PolarHBondContact O-N 2.94Å; Y783-Y787 AromaticContact CD1-CE2 3.92Å; Y783-Y787 HydrophobicContact CD1-CE2 3.92Å; Y783-Y787 HydrophobicContact CG-CE2 4.48Å; Y783-Y787 WeakPolarHBondContact O-CD2 3.33Å; Y783-Y787 PolarHBondContact O-N 3.28Å; Y783-L834 HydrophobicContact CD1-CD1 4.07Å; Y783-L834 HydrophobicContact CD2-CD1 4Å; Y783-L834 HydrophobicContact CG-CD1 3.67Å |
| 784 | T | 97.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.1 | -47.8 | 176.3 | -60 | 0 | 0 | 0 | 0 | 110.9 | T780 H781 L788 F845 L846 N849 | T780-T784 WeakPolarHBondContact O-CB 3.29Å; T780-T784 PolarHBondContact O-N 2.64Å; T780-T784 PolarHBondContact O-OG1 2.98Å; H781-T784 PolarHBondContact O-N 3.06Å; T784-L788 HydrophobicContact CG2-CD1 3.94Å; T784-L788 WeakPolarHBondContact O-CD1 3.42Å; T784-L788 VanDerWaalsContact O-CG 3.27Å; T784-L788 WeakPolarHBondContact O-CG 3.45Å; T784-L788 PolarHBondContact O-N 2.89Å; T784-F845 HydrophobicContact CG2-CD1 4.07Å; T784-F845 HydrophobicContact CG2-CE1 3.86Å; T784-L846 HydrophobicContact CG2-CD1 3.96Å; T784-N849 HydrophobicContact CG2-CB 3.96Å |
| 785 | T | 96.4 | Very high | 95.2 | Very high | 37 Ų | 37 | 27.8 Ų | 27.8 | 23% | 0.227 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 177.4 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | H781 Y782 Y783 L788 E789 | H781-T785 WeakPolarHBondContact O-CB 3.21Å; H781-T785 PolarHBondContact O-N 3.09Å; H781-T785 PolarHBondContact O-OG1 3.04Å; Y782-T785 PolarHBondContact O-N 2.87Å; Y783-T785 VanDerWaalsContact C-N 3.31Å; Y783-T785 PolarHBondContact O-N 3.24Å; T785-L788 PolarHBondContact O-N 3.44Å; T785-E789 HydrophobicContact CG2-CG 4.43Å; T785-E789 WeakPolarHBondContact O-CB 3.47Å; T785-E789 PolarHBondContact O-N 2.83Å |
| 786 | W | 96.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.011 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.2 | -44.3 | -177.5 | -175.6 | 90.3 | 0 | 0 | 0 | 112.7 | Y721 Q726 I728 Y782 Y783 L788 A790 L791 F820 F825 | Y721-W786 HydrophobicContact CE2-CB 4.11Å; Y721-W786 AromaticContact CE2-CD1 3.99Å; Y721-W786 HydrophobicContact CE2-CG 4.48Å; Q726-W786 PolarHBondContact O-NE1 3.11Å; I728-W786 HydrophobicContact CB-CD2 4.48Å; I728-W786 HydrophobicContact CB-CG 4.17Å; I728-W786 HydrophobicContact CD1-CB 4.03Å; I728-W786 HydrophobicContact CD1-CG 4.26Å; I728-W786 HydrophobicContact CG2-CD2 3.49Å; I728-W786 VanDerWaalsContact CG2-CD2 3.49Å; I728-W786 VanDerWaalsContact CG2-CE2 3.43Å; I728-W786 HydrophobicContact CG2-CE3 4.09Å; I728-W786 HydrophobicContact CG2-CG 3.66Å; I728-W786 HydrophobicContact CG2-CZ2 4Å; Y782-W786 WeakPolarHBondContact O-CB 3.24Å; Y782-W786 PolarHBondContact O-N 3.3Å; Y783-W786 PolarHBondContact O-N 2.94Å; W786-L788 VanDerWaalsContact C-N 3.28Å; W786-L788 PolarHBondContact O-N 2.97Å; W786-A790 HydrophobicContact CD2-CB 4.19Å; W786-A790 HydrophobicContact CG-CB 4.23Å; W786-A790 HydrophobicContact CZ2-CB 4.43Å; W786-A790 WeakPolarHBondContact O-CA 3.5Å; W786-A790 WeakPolarHBondContact O-CB 3.46Å; W786-A790 PolarHBondContact O-N 3.12Å; W786-L791 HydrophobicContact CH2-CB 4.41Å; W786-L791 HydrophobicContact CH2-CD1 4.32Å; W786-L791 HydrophobicContact CZ3-CB 4.15Å; W786-L791 HydrophobicContact CZ3-CD1 4.12Å; W786-L791 PolarHBondContact O-N 3.27Å; W786-F820 AromaticContact CH2-CD2 3.86Å; W786-F820 HydrophobicContact CH2-CD2 3.86Å; W786-F820 AromaticContact CH2-CE2 3.83Å; W786-F820 HydrophobicContact CH2-CE2 3.83Å; W786-F820 HydrophobicContact CH2-CG 4.4Å; W786-F820 HydrophobicContact CH2-CZ 4.33Å; W786-F820 HydrophobicContact CZ2-CD1 4.04Å; W786-F820 AromaticContact CZ2-CD2 3.81Å; W786-F820 HydrophobicContact CZ2-CD2 3.81Å; W786-F820 HydrophobicContact CZ2-CE1 4.16Å; W786-F820 AromaticContact CZ2-CE2 3.93Å; W786-F820 HydrophobicContact CZ2-CE2 3.93Å; W786-F820 AromaticContact CZ2-CG 3.88Å; W786-F820 HydrophobicContact CZ2-CG 3.88Å; W786-F820 HydrophobicContact CZ2-CZ 4.11Å; W786-F825 HydrophobicContact CH2-CB 3.66Å; W786-F825 AromaticContact CH2-CD1 3.51Å; W786-F825 HydrophobicContact CH2-CD1 3.51Å; W786-F825 AromaticContact CH2-CD2 3.81Å; W786-F825 HydrophobicContact CH2-CD2 3.81Å; W786-F825 HydrophobicContact CH2-CE1 4.05Å; W786-F825 HydrophobicContact CH2-CE2 4.33Å; W786-F825 AromaticContact CH2-CG 3.37Å; W786-F825 HydrophobicContact CH2-CG 3.37Å; W786-F825 HydrophobicContact CH2-CZ 4.43Å; W786-F825 HydrophobicContact CZ2-CD1 4.13Å; W786-F825 HydrophobicContact CZ2-CD2 4.39Å; W786-F825 HydrophobicContact CZ2-CE1 4.21Å; W786-F825 HydrophobicContact CZ2-CE2 4.48Å; W786-F825 HydrophobicContact CZ2-CG 4.22Å; W786-F825 HydrophobicContact CZ2-CZ 4.38Å; W786-F825 HydrophobicContact CZ3-CB 3.8Å; W786-F825 AromaticContact CZ3-CD1 3.8Å; W786-F825 HydrophobicContact CZ3-CD1 3.8Å; W786-F825 AromaticContact CZ3-CG 3.87Å; W786-F825 HydrophobicContact CZ3-CG 3.87Å |
| 787 | Y | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -61.9 | -37 | 177.2 | -81.3 | -68.5 | 0 | 0 | 0 | 112.1 | Y783 L791 L792 F825 L834 F911 | Y783-Y787 AromaticContact CD1-CE2 3.92Å; Y783-Y787 HydrophobicContact CD1-CE2 3.92Å; Y783-Y787 HydrophobicContact CG-CE2 4.48Å; Y783-Y787 WeakPolarHBondContact O-CD2 3.33Å; Y783-Y787 PolarHBondContact O-N 3.28Å; Y787-L791 HydrophobicContact CD1-CB 4.26Å; Y787-L791 HydrophobicContact CD1-CD1 4.02Å; Y787-L791 HydrophobicContact CE1-CD1 4.04Å; Y787-L792 WeakPolarHBondContact O-CB 3.38Å; Y787-L792 VanDerWaalsContact O-CG 3.31Å; Y787-L792 WeakPolarHBondContact O-CG 3.43Å; Y787-L792 PolarHBondContact O-N 2.97Å; Y787-F825 HydrophobicContact CE1-CB 4.5Å; Y787-F825 WeakPolarHBondContact CE1-O 3.47Å; Y787-F825 PolarHBondContact OH-O 2.63Å; Y787-L834 HydrophobicContact CD2-CD2 4.16Å; Y787-L834 HydrophobicContact CE2-CD1 4.11Å; Y787-L834 HydrophobicContact CE2-CD2 3.42Å; Y787-L834 VanDerWaalsContact CE2-CD2 3.42Å; Y787-L834 HydrophobicContact CE2-CG 4.36Å; Y787-F911 HydrophobicContact CD1-CE1 4.5Å; Y787-F911 AromaticContact CD1-CE2 3.66Å; Y787-F911 HydrophobicContact CD1-CE2 3.66Å; Y787-F911 AromaticContact CD1-CZ 3.44Å; Y787-F911 HydrophobicContact CD1-CZ 3.44Å; Y787-F911 VanDerWaalsContact CD1-CZ 3.44Å; Y787-F911 HydrophobicContact CD2-CZ 4.28Å; Y787-F911 AromaticContact CE1-CE2 3.87Å; Y787-F911 HydrophobicContact CE1-CE2 3.87Å; Y787-F911 AromaticContact CE1-CZ 3.86Å; Y787-F911 HydrophobicContact CE1-CZ 3.86Å; Y787-F911 HydrophobicContact CG-CE1 4.44Å; Y787-F911 HydrophobicContact CG-CE2 4.37Å; Y787-F911 AromaticContact CG-CZ 3.68Å; Y787-F911 HydrophobicContact CG-CZ 3.68Å |
| 788 | L | 94.4 | Very high | 93.7 | Very high | 18 Ų | 18 | 28.8 Ų | 28.8 | 9% | 0.094 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -72.5 | -53.8 | 178.1 | -69.9 | 169.3 | 0 | 0 | 0 | 112.2 | T784 T785 W786 L792 R793 N849 L850 H853 | T784-L788 HydrophobicContact CG2-CD1 3.94Å; T784-L788 WeakPolarHBondContact O-CD1 3.42Å; T784-L788 VanDerWaalsContact O-CG 3.27Å; T784-L788 WeakPolarHBondContact O-CG 3.45Å; T784-L788 PolarHBondContact O-N 2.89Å; T785-L788 PolarHBondContact O-N 3.44Å; W786-L788 VanDerWaalsContact C-N 3.28Å; W786-L788 PolarHBondContact O-N 2.97Å; L788-L792 HydrophobicContact CD2-CD1 4.15Å; L788-R793 PolarHBondContact O-N 3.24Å; L788-N849 HydrophobicContact CD1-CB 3.72Å; L788-L850 HydrophobicContact CD2-CD2 3.52Å; L788-L850 HydrophobicContact CD2-CG 4.39Å; L788-H853 VanDerWaalsContact CD2-CD2 3.47Å; L788-H853 WeakPolarHBondContact CD2-CD2 3.4Å |
| 789 | E | 91.8 | Very high | 93.2 | Very high | 81 Ų | 81 | 30.4 Ų | 30.4 | 38% | 0.379 | 15% | 0.154 | S | C | . | . | I | π-helix | trans | -86.6 | -23.5 | -169.5 | -69.9 | -62.2 | 148.1 | 0 | 0 | 114.2 | T785 R793 | T785-E789 HydrophobicContact CG2-CG 4.43Å; T785-E789 WeakPolarHBondContact O-CB 3.47Å; T785-E789 PolarHBondContact O-N 2.83Å; E789-R793 VanDerWaalsContact O-CB 3.31Å; E789-R793 WeakPolarHBondContact O-CB 3.33Å; E789-R793 WeakPolarHBondContact O-CD 3.37Å; E789-R793 IonicContact OE2-NH1 2.82Å; E789-R793 PolarHBondContact OE2-NH1 3.27Å |
| 790 | A | 92.3 | Very high | 93 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 2% | 0.017 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -102.2 | -70.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q726 W786 Q794 F820 | Q726-A790 HydrophobicContact CB-CB 4.39Å; W786-A790 HydrophobicContact CD2-CB 4.19Å; W786-A790 HydrophobicContact CG-CB 4.23Å; W786-A790 HydrophobicContact CZ2-CB 4.43Å; W786-A790 WeakPolarHBondContact O-CA 3.5Å; W786-A790 WeakPolarHBondContact O-CB 3.46Å; W786-A790 PolarHBondContact O-N 3.12Å; A790-Q794 VanDerWaalsContact O-CG 3.24Å; A790-Q794 WeakPolarHBondContact O-CG 3.26Å; A790-Q794 PolarHBondContact O-N 3.12Å; A790-F820 HydrophobicContact CB-CE1 4.08Å; A790-F820 HydrophobicContact CB-CZ 4.31Å |
| 791 | L | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -66.6 | -57.9 | -169.9 | -168.8 | 153 | 0 | 0 | 0 | 113.1 | W786 Y787 R793 Q794 A795 I800 F809 F820 F825 | W786-L791 HydrophobicContact CH2-CB 4.41Å; W786-L791 HydrophobicContact CH2-CD1 4.32Å; W786-L791 HydrophobicContact CZ3-CB 4.15Å; W786-L791 HydrophobicContact CZ3-CD1 4.12Å; W786-L791 PolarHBondContact O-N 3.27Å; Y787-L791 HydrophobicContact CD1-CB 4.26Å; Y787-L791 HydrophobicContact CD1-CD1 4.02Å; Y787-L791 HydrophobicContact CE1-CD1 4.04Å; L791-R793 VanDerWaalsContact C-N 3.32Å; L791-R793 PolarHBondContact O-N 3.05Å; L791-Q794 PolarHBondContact O-N 3.1Å; L791-A795 PolarHBondContact O-N 3.46Å; L791-I800 HydrophobicContact CG-CD1 4.34Å; L791-F809 HydrophobicContact CD2-CB 4.4Å; L791-F809 HydrophobicContact CD2-CD1 4.42Å; L791-F809 HydrophobicContact CD2-CD2 4.48Å; L791-F809 HydrophobicContact CD2-CG 4.18Å; L791-F820 HydrophobicContact CB-CE2 4.42Å; L791-F820 HydrophobicContact CB-CZ 4.4Å; L791-F820 HydrophobicContact CG-CE2 4.47Å; L791-F825 HydrophobicContact CD1-CB 4.41Å |
| 792 | L | 94.8 | Very high | 92.6 | Very high | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -71.3 | -28.6 | -174.4 | -68.8 | 172.1 | 0 | 0 | 0 | 112.8 | Y787 L788 A795 S796 L850 V907 F911 | Y787-L792 WeakPolarHBondContact O-CB 3.38Å; Y787-L792 VanDerWaalsContact O-CG 3.31Å; Y787-L792 WeakPolarHBondContact O-CG 3.43Å; Y787-L792 PolarHBondContact O-N 2.97Å; L788-L792 HydrophobicContact CD2-CD1 4.15Å; L792-A795 PolarHBondContact O-N 3.25Å; L792-S796 WeakPolarHBondContact O-CB 3.33Å; L792-S796 PolarHBondContact O-N 3.25Å; L792-S796 PolarHBondContact O-OG 3.14Å; L792-L850 HydrophobicContact CD1-CD2 3.35Å; L792-V907 HydrophobicContact CD2-CG1 4.09Å; L792-F911 HydrophobicContact CD1-CD1 4Å; L792-F911 HydrophobicContact CD1-CE1 4.42Å; L792-F911 HydrophobicContact CD1-CG 4.36Å; L792-F911 HydrophobicContact CD2-CB 3.85Å; L792-F911 HydrophobicContact CD2-CD1 4.46Å; L792-F911 HydrophobicContact CD2-CD2 4.41Å; L792-F911 HydrophobicContact CD2-CG 3.99Å |
| 793 | R | 91.8 | Very high | 92.4 | Very high | 148 Ų | 148 | 25.7 Ų | 25.7 | 56% | 0.558 | 13% | 0.134 | S | C | * | . | H | α-helix | trans | -62.8 | -42.6 | 171.5 | -171.4 | 174.1 | 178.4 | 168.1 | -6.9 | 111.8 | L788 E789 L791 S796 S797 | L788-R793 PolarHBondContact O-N 3.24Å; E789-R793 VanDerWaalsContact O-CB 3.31Å; E789-R793 WeakPolarHBondContact O-CB 3.33Å; E789-R793 WeakPolarHBondContact O-CD 3.37Å; E789-R793 IonicContact OE2-NH1 2.82Å; E789-R793 PolarHBondContact OE2-NH1 3.27Å; L791-R793 VanDerWaalsContact C-N 3.32Å; L791-R793 PolarHBondContact O-N 3.05Å; R793-S796 WeakPolarHBondContact O-CB 2.85Å; R793-S796 PolarHBondContact O-N 2.91Å; R793-S797 PolarHBondContact O-N 3.27Å |
| 794 | Q | 90.7 | Very high | 92.1 | Very high | 46 Ų | 46 | 28 Ų | 28 | 22% | 0.215 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -75.8 | -26.3 | 175.7 | -59.8 | -57.8 | -8.3 | 0 | 0 | 112.9 | A790 L791 S796 S797 S798 L799 I800 L818 | A790-Q794 VanDerWaalsContact O-CG 3.24Å; A790-Q794 WeakPolarHBondContact O-CG 3.26Å; A790-Q794 PolarHBondContact O-N 3.12Å; L791-Q794 PolarHBondContact O-N 3.1Å; Q794-S796 VanDerWaalsContact C-N 3.3Å; Q794-S797 WeakPolarHBondContact CA-OG 3.29Å; Q794-S797 PolarHBondContact O-N 3.33Å; Q794-S797 PolarHBondContact O-OG 2.94Å; Q794-S797 PolarHBondContact OE1-OG 3.23Å; Q794-S798 PolarHBondContact O-N 3.44Å; Q794-L799 PolarHBondContact O-N 2.98Å; Q794-L799 VanDerWaalsContact O-N 3.11Å; Q794-I800 HydrophobicContact CB-CD1 3.58Å; Q794-I800 HydrophobicContact CB-CG1 3.93Å; Q794-I800 PolarHBondContact O-N 3.09Å; Q794-L818 HydrophobicContact CG-CD2 4.15Å |
| 795 | A | 90.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 2% | 0.017 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.5 | -34.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111.9 | L791 L792 S797 S798 I800 F809 V907 | L791-A795 PolarHBondContact O-N 3.46Å; L792-A795 PolarHBondContact O-N 3.25Å; A795-S797 VanDerWaalsContact C-N 3.29Å; A795-S797 PolarHBondContact O-N 2.87Å; A795-S798 PolarHBondContact O-N 3.33Å; A795-I800 WeakPolarHBondContact CA-O 3.17Å; A795-I800 HydrophobicContact CB-CB 4.14Å; A795-I800 HydrophobicContact CB-CG2 4.44Å; A795-F809 HydrophobicContact CB-CD1 4.33Å; A795-F809 HydrophobicContact CB-CE1 4.24Å; A795-V907 HydrophobicContact CB-CG1 3.79Å |
| 796 | S | 86.4 | Confident | 91.4 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 25% | 0.245 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.4 | -21.2 | 175.7 | -57.8 | 0 | 0 | 0 | 0 | 113.6 | L792 R793 Q794 S798 | L792-S796 WeakPolarHBondContact O-CB 3.33Å; L792-S796 PolarHBondContact O-N 3.25Å; L792-S796 PolarHBondContact O-OG 3.14Å; R793-S796 WeakPolarHBondContact O-CB 2.85Å; R793-S796 PolarHBondContact O-N 2.91Å; Q794-S796 VanDerWaalsContact C-N 3.3Å; S796-S798 VanDerWaalsContact C-N 3.33Å |
| 797 | S | 83.1 | Confident | 91.2 | Very high | 58 Ų | 58 | 41.5 Ų | 41.5 | 41% | 0.406 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 5.4 | 172.7 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | R793 Q794 A795 L799 | R793-S797 PolarHBondContact O-N 3.27Å; Q794-S797 WeakPolarHBondContact CA-OG 3.29Å; Q794-S797 PolarHBondContact O-N 3.33Å; Q794-S797 PolarHBondContact O-OG 2.94Å; Q794-S797 PolarHBondContact OE1-OG 3.23Å; A795-S797 VanDerWaalsContact C-N 3.29Å; A795-S797 PolarHBondContact O-N 2.87Å; S797-L799 PolarHBondContact O-N 3.41Å |
| 798 | S | 81.8 | Confident | 91.1 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 31% | 0.308 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 17.3 | -176.6 | -51.8 | 0 | 0 | 0 | 0 | 114.9 | Q794 A795 S796 Q812 | Q794-S798 PolarHBondContact O-N 3.44Å; A795-S798 PolarHBondContact O-N 3.33Å; S796-S798 VanDerWaalsContact C-N 3.33Å; S798-Q812 PolarHBondContact O-OE1 2.99Å |
| 799 | L | 87.2 | Confident | 91.2 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 18% | 0.178 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -82.3 | -21.4 | 172.3 | -65 | 179.3 | 0 | 0 | 0 | 112.3 | Q794 S797 Q812 A814 L818 | Q794-L799 PolarHBondContact O-N 2.98Å; Q794-L799 VanDerWaalsContact O-N 3.11Å; S797-L799 PolarHBondContact O-N 3.41Å; L799-Q812 PolarHBondContact O-N 3.28Å; L799-A814 HydrophobicContact CD2-CB 4.46Å; L799-L818 HydrophobicContact CD1-CD2 4.5Å |
| 800 | I | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.3 | 175.1 | -59.3 | 176.9 | 0 | 0 | 0 | 108.6 | L791 Q794 A795 F809 V810 L818 F820 A822 N1023 | L791-I800 HydrophobicContact CG-CD1 4.34Å; Q794-I800 HydrophobicContact CB-CD1 3.58Å; Q794-I800 HydrophobicContact CB-CG1 3.93Å; Q794-I800 PolarHBondContact O-N 3.09Å; A795-I800 WeakPolarHBondContact CA-O 3.17Å; A795-I800 HydrophobicContact CB-CB 4.14Å; A795-I800 HydrophobicContact CB-CG2 4.44Å; I800-F809 HydrophobicContact CG2-CB 3.65Å; I800-F809 HydrophobicContact CG2-CD1 3.91Å; I800-F809 HydrophobicContact CG2-CG 4.26Å; I800-V810 WeakPolarHBondContact CA-O 3.43Å; I800-L818 HydrophobicContact CG1-CD1 4.38Å; I800-F820 HydrophobicContact CD1-CE2 4.07Å; I800-F820 HydrophobicContact CD1-CZ 4.04Å; I800-A822 HydrophobicContact CD1-CB 3.87Å; I800-A822 HydrophobicContact CG1-CB 4.17Å; I800-A822 HydrophobicContact CG2-CB 3.54Å; I800-N1023 PolarHBondContact O-ND2 3.16Å |
| 801 | V | 92.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.2 | -178.7 | 170 | 0 | 0 | 0 | 0 | 111.3 | C803 F809 V810 Q812 N1021 N1023 | V801-C803 PolarHBondContact O-N 2.89Å; V801-F809 CarbonylContact O-C 3.27Å; V801-F809 WeakPolarHBondContact O-CA 3.23Å; V801-V810 PolarHBondContact N-O 3.09Å; V801-V810 PolarHBondContact O-N 3.45Å; V801-Q812 HydrophobicContact CG2-CG 4Å; V801-N1021 WeakPolarHBondContact CG2-O 3.4Å; V801-N1023 VanDerWaalsContact CA-OD1 3.28Å; V801-N1023 WeakPolarHBondContact CA-OD1 3.22Å; V801-N1023 WeakPolarHBondContact CG1-OD1 3.33Å |
| 802 | H | 94.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 41.6 Ų | 41.6 | 9% | 0.088 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 126.1 | 168 | 177 | -125.6 | 0 | 0 | 0 | 109.2 | P804 F809 M914 N1023 H1025 | H802-P804 VanDerWaalsContact O-CD 3.24Å; H802-P804 WeakPolarHBondContact O-CD 3.41Å; H802-F809 HydrophobicContact CB-CD1 4.07Å; H802-F809 HydrophobicContact CB-CE1 3.66Å; H802-F809 HydrophobicContact CB-CZ 3.95Å; H802-F809 AromaticContact CD2-CE2 3.93Å; H802-M914 PolarHBondContact NE2-SD 3.37Å; H802-M914 VanDerWaalsContact NE2-SD 3.44Å; H802-N1023 PolarHBondContact N-OD1 3.41Å; H802-H1025 AromaticContact CG-NE2 3.83Å; H802-H1025 AromaticContact ND1-CD2 3.82Å; H802-H1025 AromaticContact ND1-NE2 3.27Å; H802-H1025 PolarHBondContact ND1-NE2 3.49Å; H802-H1025 PolarHBondContact O-CE1 3.12Å; H802-H1025 PolarHBondContact O-NE2 3.02Å; H802-H1025 VanDerWaalsContact O-NE2 3.16Å |
| 803 | C | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 89.8 | -178.5 | 178.9 | 0 | 0 | 0 | 0 | 109.4 | V801 T805 M806 Q807 C808 V810 H1017 | V801-C803 PolarHBondContact O-N 2.89Å; C803-T805 PolarHBondContact O-N 3.46Å; C803-M806 HydrophobicContact CB-CB 4.46Å; C803-M806 PolarHBondContact O-N 2.92Å; C803-M806 PolarHBondContact SG-N 3.35Å; C803-Q807 PolarHBondContact O-N 3.07Å; C803-C808 WeakPolarHBondContact CB-O 3.47Å; C803-C808 PolarHBondContact N-O 3.08Å; C803-C808 PolarHBondContact O-N 3.35Å; C803-V810 HydrophobicContact CB-CG2 3.7Å; C803-H1017 CarbonylContact C-O 3.5Å; C803-H1017 WeakPolarHBondContact CA-O 3.27Å; C803-H1017 VanDerWaalsContact SG-CA 3.55Å; C803-H1017 PolarHBondContact SG-O 3.34Å |
| 804 | P | 91.9 | Very high | 87.6 | Confident | 49 Ų | 49 | 45.2 Ų | 45.2 | 32% | 0.318 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -35.9 | 175.8 | -29.4 | 32.5 | 0 | 0 | 0 | 114.4 | H802 M806 Q807 H1017 | H802-P804 VanDerWaalsContact O-CD 3.24Å; H802-P804 WeakPolarHBondContact O-CD 3.41Å; P804-M806 PolarHBondContact O-N 2.95Å; P804-Q807 PolarHBondContact O-N 3.35Å; P804-H1017 WeakPolarHBondContact CD-O 3.32Å |
| 805 | T | 90.6 | Very high | 85.9 | Confident | 91 Ų | 91 | 51.5 Ų | 51.5 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -41.9 | -178.9 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | C803 E1016 H1017 G1018 | C803-T805 PolarHBondContact O-N 3.46Å; T805-E1016 WeakPolarHBondContact CB-O 3.41Å; T805-H1017 PolarHBondContact N-O 2.95Å; T805-H1017 VanDerWaalsContact OG1-C 3.31Å; T805-H1017 PolarHBondContact OG1-O 3.43Å; T805-G1018 WeakPolarHBondContact OG1-CA 3.43Å; T805-G1018 PolarHBondContact OG1-N 3.01Å; T805-G1018 VanDerWaalsContact OG1-N 3.13Å |
| 806 | M | 89 | Confident | 84.3 | Confident | 115 Ų | 115 | 56.6 Ų | 56.6 | 57% | 0.567 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -5 | 178.7 | -65.4 | -178.5 | 61.5 | 0 | 0 | 113 | C803 P804 C808 | C803-M806 HydrophobicContact CB-CB 4.46Å; C803-M806 PolarHBondContact O-N 2.92Å; C803-M806 PolarHBondContact SG-N 3.35Å; P804-M806 PolarHBondContact O-N 2.95Å; M806-C808 VanDerWaalsContact C-N 3.28Å; M806-C808 VanDerWaalsContact CB-SG 3.54Å; M806-C808 PolarHBondContact O-N 2.94Å |
| 807 | Q | 92.1 | Very high | 83.1 | Confident | 121 Ų | 121 | 64.4 Ų | 64.4 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 47.6 | -173.2 | -59.3 | -171.9 | -31.1 | 0 | 0 | 112.4 | C803 P804 V828 M914 | C803-Q807 PolarHBondContact O-N 3.07Å; P804-Q807 PolarHBondContact O-N 3.35Å; Q807-V828 HydrophobicContact CB-CG2 3.83Å; Q807-M914 VanDerWaalsContact C-CE 3.48Å; Q807-M914 WeakPolarHBondContact O-CE 3.41Å |
| 808 | C | 95.5 | Very high | 82.6 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.007 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 173 | 177.7 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | C803 M806 V810 D827 | C803-C808 WeakPolarHBondContact CB-O 3.47Å; C803-C808 PolarHBondContact N-O 3.08Å; C803-C808 PolarHBondContact O-N 3.35Å; M806-C808 VanDerWaalsContact C-N 3.28Å; M806-C808 VanDerWaalsContact CB-SG 3.54Å; M806-C808 PolarHBondContact O-N 2.94Å; C808-V810 VanDerWaalsContact SG-CG2 3.55Å; C808-D827 HydrophobicContact CB-CB 3.99Å |
| 809 | F | 95.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 137.6 | 161.4 | -75.7 | -100.1 | 0 | 0 | 0 | 109.3 | L791 A795 I800 V801 H802 A822 E823 S826 V907 F911 M914 | L791-F809 HydrophobicContact CD2-CB 4.4Å; L791-F809 HydrophobicContact CD2-CD1 4.42Å; L791-F809 HydrophobicContact CD2-CD2 4.48Å; L791-F809 HydrophobicContact CD2-CG 4.18Å; A795-F809 HydrophobicContact CB-CD1 4.33Å; A795-F809 HydrophobicContact CB-CE1 4.24Å; I800-F809 HydrophobicContact CG2-CB 3.65Å; I800-F809 HydrophobicContact CG2-CD1 3.91Å; I800-F809 HydrophobicContact CG2-CG 4.26Å; V801-F809 CarbonylContact O-C 3.27Å; V801-F809 WeakPolarHBondContact O-CA 3.23Å; H802-F809 HydrophobicContact CB-CD1 4.07Å; H802-F809 HydrophobicContact CB-CE1 3.66Å; H802-F809 HydrophobicContact CB-CZ 3.95Å; H802-F809 AromaticContact CD2-CE2 3.93Å; F809-A822 HydrophobicContact CB-CB 4.14Å; F809-A822 CarbonylContact O-C 3.14Å; F809-A822 WeakPolarHBondContact O-CB 3.26Å; F809-E823 WeakPolarHBondContact O-CA 3.32Å; F809-E823 PolarHBondContact O-N 3.28Å; F809-S826 WeakPolarHBondContact CA-OG 3.38Å; F809-S826 WeakPolarHBondContact CB-OG 3.31Å; F809-S826 PolarHBondContact N-OG 3.41Å; F809-S826 PolarHBondContact O-OG 3.5Å; F809-V907 HydrophobicContact CE1-CG1 3.88Å; F809-V907 HydrophobicContact CZ-CG1 4.22Å; F809-F911 HydrophobicContact CD2-CD2 4.25Å; F809-F911 HydrophobicContact CE2-CB 3.75Å; F809-F911 AromaticContact CE2-CD2 3.84Å; F809-F911 HydrophobicContact CE2-CD2 3.84Å; F809-F911 HydrophobicContact CE2-CG 4.3Å; F809-F911 HydrophobicContact CZ-CB 3.89Å; F809-M914 HydrophobicContact CD2-CE 4.33Å; F809-M914 HydrophobicContact CD2-SD 4.2Å; F809-M914 HydrophobicContact CE2-CE 4.48Å; F809-M914 HydrophobicContact CE2-SD 3.8Å |
| 810 | V | 93.4 | Very high | 82.6 | Confident | 25 Ų | 25 | 64.8 Ų | 64.8 | 15% | 0.152 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.9 | -175.4 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | I800 V801 C803 C808 | I800-V810 WeakPolarHBondContact CA-O 3.43Å; V801-V810 PolarHBondContact N-O 3.09Å; V801-V810 PolarHBondContact O-N 3.45Å; C803-V810 HydrophobicContact CB-CG2 3.7Å; C808-V810 VanDerWaalsContact SG-CG2 3.55Å |
| 811 | S | 91 | Very high | 82.5 | Confident | 21 Ų | 21 | 72 Ų | 72 | 15% | 0.147 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 133.2 | 174.3 | -68.2 | 0 | 0 | 0 | 0 | 111 | A822 E823 | S811-A822 PolarHBondContact OG-N 3.03Å; S811-E823 PolarHBondContact N-OE2 2.76Å |
| 812 | Q | 83.5 | Confident | 82.5 | Confident | 57 Ų | 57 | 72 Ų | 72 | 27% | 0.266 | 38% | 0.379 | S | S | . | . | trans | -80.7 | 140.2 | 173 | -67.9 | -167.5 | -16.2 | 0 | 0 | 111.4 | S798 L799 V801 A814 N1021 | S798-Q812 PolarHBondContact O-OE1 2.99Å; L799-Q812 PolarHBondContact O-N 3.28Å; V801-Q812 HydrophobicContact CG2-CG 4Å; Q812-A814 VanDerWaalsContact C-N 3.25Å; Q812-A814 PolarHBondContact O-N 3.41Å; Q812-N1021 PolarHBondContact NE2-O 3.32Å | ||
| 813 | N | 65.3 | Low | 82.4 | Confident | 180 Ų | 180 | 73.6 Ų | 73.6 | 96% | 0.963 | 39% | 0.386 | S | S | * | . | trans | -74.3 | 75 | 172.4 | -68.5 | -26.5 | 0 | 0 | 0 | 110.5 | ||||
| 814 | A | 56.3 | Low | 82.3 | Confident | 50 Ų | 50 | 77.1 Ų | 77.1 | 41% | 0.413 | 40% | 0.403 | S | S | . | . | trans | -98.5 | 158.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | L799 Q812 N816 | L799-A814 HydrophobicContact CD2-CB 4.46Å; Q812-A814 VanDerWaalsContact C-N 3.25Å; Q812-A814 PolarHBondContact O-N 3.41Å; A814-N816 PolarHBondContact O-N 3.05Å | ||
| 815 | D | 54.4 | Low | 82.5 | Confident | 179 Ų | 179 | 75.5 Ų | 75.5 | 96% | 0.957 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -58.1 | 6.2 | 176.1 | -68.2 | -45.6 | 0 | 0 | 0 | 114.9 | ||
| 816 | N | 57.7 | Low | 82.8 | Confident | 108 Ų | 108 | 71.1 Ų | 71.1 | 58% | 0.578 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -91.3 | 113.5 | 173.1 | -76.4 | -17.3 | 0 | 0 | 0 | 110.2 | A814 L818 | A814-N816 PolarHBondContact O-N 3.05Å; N816-L818 PolarHBondContact O-N 2.9Å |
| 817 | E | 61.2 | Low | 83.1 | Confident | 199 Ų | 199 | 68 Ų | 68 | 93% | 0.93 | 35% | 0.35 | S | S | * | . | trans | -68 | 91.3 | 171.2 | -69.4 | -175.9 | 162 | 0 | 0 | 110.4 | ||||
| 818 | L | 73.2 | Confident | 83.3 | Confident | 47 Ų | 47 | 64.3 Ų | 64.3 | 25% | 0.246 | 34% | 0.335 | C | S | . | . | trans | -62.2 | 135.9 | 163.7 | -70.6 | 169.3 | 0 | 0 | 0 | 108.9 | Q794 L799 I800 N816 F820 | Q794-L818 HydrophobicContact CG-CD2 4.15Å; L799-L818 HydrophobicContact CD1-CD2 4.5Å; I800-L818 HydrophobicContact CG1-CD1 4.38Å; N816-L818 PolarHBondContact O-N 2.9Å; L818-F820 WeakPolarHBondContact CB-O 3.48Å; L818-F820 PolarHBondContact O-N 2.86Å | ||
| 819 | S | 80.4 | Confident | 83.3 | Confident | 76 Ų | 76 | 67.5 Ų | 67.5 | 53% | 0.531 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -70.3 | -11.7 | 178.4 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 820 | F | 89.3 | Confident | 83.4 | Confident | 21 Ų | 21 | 68.1 Ų | 68.1 | 9% | 0.092 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -144 | 160.9 | 179.3 | 69.3 | -85.8 | 0 | 0 | 0 | 111.9 | W786 A790 L791 I800 L818 A822 F825 | W786-F820 AromaticContact CH2-CD2 3.86Å; W786-F820 HydrophobicContact CH2-CD2 3.86Å; W786-F820 AromaticContact CH2-CE2 3.83Å; W786-F820 HydrophobicContact CH2-CE2 3.83Å; W786-F820 HydrophobicContact CH2-CG 4.4Å; W786-F820 HydrophobicContact CH2-CZ 4.33Å; W786-F820 HydrophobicContact CZ2-CD1 4.04Å; W786-F820 AromaticContact CZ2-CD2 3.81Å; W786-F820 HydrophobicContact CZ2-CD2 3.81Å; W786-F820 HydrophobicContact CZ2-CE1 4.16Å; W786-F820 AromaticContact CZ2-CE2 3.93Å; W786-F820 HydrophobicContact CZ2-CE2 3.93Å; W786-F820 AromaticContact CZ2-CG 3.88Å; W786-F820 HydrophobicContact CZ2-CG 3.88Å; W786-F820 HydrophobicContact CZ2-CZ 4.11Å; A790-F820 HydrophobicContact CB-CE1 4.08Å; A790-F820 HydrophobicContact CB-CZ 4.31Å; L791-F820 HydrophobicContact CB-CE2 4.42Å; L791-F820 HydrophobicContact CB-CZ 4.4Å; L791-F820 HydrophobicContact CG-CE2 4.47Å; I800-F820 HydrophobicContact CD1-CE2 4.07Å; I800-F820 HydrophobicContact CD1-CZ 4.04Å; L818-F820 WeakPolarHBondContact CB-O 3.48Å; L818-F820 PolarHBondContact O-N 2.86Å; F820-A822 HydrophobicContact CE2-CB 4.48Å; F820-F825 HydrophobicContact CB-CE2 3.96Å; F820-F825 HydrophobicContact CD2-CD2 4.19Å; F820-F825 HydrophobicContact CD2-CE2 4.42Å |
| 821 | R | 91 | Very high | 83.6 | Confident | 153 Ų | 153 | 67 Ų | 67 | 58% | 0.577 | 35% | 0.354 | S | S | * | . | trans | -99.6 | 121.5 | 171.3 | -68.8 | -172.6 | 177.9 | -164.9 | -2.6 | 109.8 | E823 E824 F825 | R821-E823 HydrophobicContact CB-CG 4.38Å; R821-E823 PolarHBondContact O-N 2.88Å; R821-E824 HydrophobicContact CB-CG 4.07Å; R821-E824 PolarHBondContact O-N 3.49Å; R821-E824 VanDerWaalsContact O-N 3.12Å; R821-F825 WeakPolarHBondContact O-CD2 3.39Å | ||
| 822 | A | 92.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -33.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I800 F809 S811 F820 E824 F825 S826 | I800-A822 HydrophobicContact CD1-CB 3.87Å; I800-A822 HydrophobicContact CG1-CB 4.17Å; I800-A822 HydrophobicContact CG2-CB 3.54Å; F809-A822 HydrophobicContact CB-CB 4.14Å; F809-A822 CarbonylContact O-C 3.14Å; F809-A822 WeakPolarHBondContact O-CB 3.26Å; S811-A822 PolarHBondContact OG-N 3.03Å; F820-A822 HydrophobicContact CE2-CB 4.48Å; A822-E824 PolarHBondContact O-N 3.06Å; A822-F825 PolarHBondContact O-N 2.75Å; A822-F825 VanDerWaalsContact O-N 3.13Å; A822-S826 WeakPolarHBondContact O-CB 2.81Å; A822-S826 PolarHBondContact O-N 3.42Å; A822-S826 VanDerWaalsContact O-N 3.15Å; A822-S826 PolarHBondContact O-OG 2.96Å |
| 823 | E | 92.8 | Very high | 84.6 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 24% | 0.243 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.6 | -25.5 | -179 | 58.3 | -91.8 | -152.5 | 0 | 0 | 112.5 | F809 S811 R821 F825 | F809-E823 WeakPolarHBondContact O-CA 3.32Å; F809-E823 PolarHBondContact O-N 3.28Å; S811-E823 PolarHBondContact N-OE2 2.76Å; R821-E823 HydrophobicContact CB-CG 4.38Å; R821-E823 PolarHBondContact O-N 2.88Å; E823-F825 PolarHBondContact O-N 3.15Å |
| 824 | E | 92.4 | Very high | 86.2 | Confident | 74 Ų | 74 | 58 Ų | 58 | 35% | 0.346 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -80.2 | 2.6 | 176.5 | -62.9 | -168 | -150.8 | 0 | 0 | 113.8 | R730 R821 A822 E830 | R730-E824 WeakPolarHBondContact CD-O 3.4Å; R730-E824 WeakPolarHBondContact CG-O 3.11Å; R730-E824 IonicContact CZ-OE2 2.62Å; R730-E824 IonicContact NH1-OE2 3.5Å; R730-E824 PolarHBondContact NH1-OE2 2.92Å; R821-E824 HydrophobicContact CB-CG 4.07Å; R821-E824 PolarHBondContact O-N 3.49Å; R821-E824 VanDerWaalsContact O-N 3.12Å; A822-E824 PolarHBondContact O-N 3.06Å; E824-E830 WeakPolarHBondContact O-CG 3.35Å |
| 825 | F | 95.9 | Very high | 88.1 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -133.2 | -8 | 179.9 | -68.4 | -94 | 0 | 0 | 0 | 113.8 | I728 R730 W786 Y787 L791 F820 R821 A822 E823 | I728-F825 HydrophobicContact CG2-CD1 4.27Å; I728-F825 HydrophobicContact CG2-CE1 3.69Å; I728-F825 HydrophobicContact CG2-CZ 4.49Å; I728-F825 WeakPolarHBondContact O-CE1 3.15Å; R730-F825 HydrophobicContact CB-CE1 4.33Å; R730-F825 HydrophobicContact CG-CD1 4.23Å; R730-F825 HydrophobicContact CG-CE1 3.71Å; R730-F825 HydrophobicContact CG-CE2 4.09Å; R730-F825 HydrophobicContact CG-CZ 3.64Å; W786-F825 HydrophobicContact CH2-CB 3.66Å; W786-F825 AromaticContact CH2-CD1 3.51Å; W786-F825 HydrophobicContact CH2-CD1 3.51Å; W786-F825 AromaticContact CH2-CD2 3.81Å; W786-F825 HydrophobicContact CH2-CD2 3.81Å; W786-F825 HydrophobicContact CH2-CE1 4.05Å; W786-F825 HydrophobicContact CH2-CE2 4.33Å; W786-F825 AromaticContact CH2-CG 3.37Å; W786-F825 HydrophobicContact CH2-CG 3.37Å; W786-F825 HydrophobicContact CH2-CZ 4.43Å; W786-F825 HydrophobicContact CZ2-CD1 4.13Å; W786-F825 HydrophobicContact CZ2-CD2 4.39Å; W786-F825 HydrophobicContact CZ2-CE1 4.21Å; W786-F825 HydrophobicContact CZ2-CE2 4.48Å; W786-F825 HydrophobicContact CZ2-CG 4.22Å; W786-F825 HydrophobicContact CZ2-CZ 4.38Å; W786-F825 HydrophobicContact CZ3-CB 3.8Å; W786-F825 AromaticContact CZ3-CD1 3.8Å; W786-F825 HydrophobicContact CZ3-CD1 3.8Å; W786-F825 AromaticContact CZ3-CG 3.87Å; W786-F825 HydrophobicContact CZ3-CG 3.87Å; Y787-F825 HydrophobicContact CE1-CB 4.5Å; Y787-F825 WeakPolarHBondContact CE1-O 3.47Å; Y787-F825 PolarHBondContact OH-O 2.63Å; L791-F825 HydrophobicContact CD1-CB 4.41Å; F820-F825 HydrophobicContact CB-CE2 3.96Å; F820-F825 HydrophobicContact CD2-CD2 4.19Å; F820-F825 HydrophobicContact CD2-CE2 4.42Å; R821-F825 WeakPolarHBondContact O-CD2 3.39Å; A822-F825 PolarHBondContact O-N 2.75Å; A822-F825 VanDerWaalsContact O-N 3.13Å; E823-F825 PolarHBondContact O-N 3.15Å |
| 826 | S | 96.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -134.4 | 1.8 | -170.1 | 66.2 | 0 | 0 | 0 | 0 | 114.5 | F809 A822 L831 M914 | F809-S826 WeakPolarHBondContact CA-OG 3.38Å; F809-S826 WeakPolarHBondContact CB-OG 3.31Å; F809-S826 PolarHBondContact N-OG 3.41Å; F809-S826 PolarHBondContact O-OG 3.5Å; A822-S826 WeakPolarHBondContact O-CB 2.81Å; A822-S826 PolarHBondContact O-N 3.42Å; A822-S826 VanDerWaalsContact O-N 3.15Å; A822-S826 PolarHBondContact O-OG 2.96Å; S826-L831 WeakPolarHBondContact O-CD1 3.48Å; S826-M914 VanDerWaalsContact O-CE 3.3Å; S826-M914 WeakPolarHBondContact O-CE 3.21Å |
| 827 | D | 95.1 | Very high | 92.1 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 26% | 0.262 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -66 | 171.1 | 169.1 | 90.9 | -25.1 | 0 | 0 | 0 | 111.3 | C808 S829 E830 L831 | C808-D827 HydrophobicContact CB-CB 3.99Å; D827-S829 PolarHBondContact O-N 3.46Å; D827-S829 WeakPolarHBondContact OD1-CB 3.28Å; D827-S829 PolarHBondContact OD1-N 2.94Å; D827-S829 VanDerWaalsContact OD1-N 3.07Å; D827-S829 PolarHBondContact OD2-OG 2.86Å; D827-E830 PolarHBondContact O-N 3.22Å; D827-E830 WeakPolarHBondContact OD1-CB 3.4Å; D827-E830 WeakPolarHBondContact OD1-CG 3.25Å; D827-E830 PolarHBondContact OD1-N 3.27Å; D827-L831 WeakPolarHBondContact O-CG 3.5Å; D827-L831 PolarHBondContact O-N 3.12Å |
| 828 | V | 96.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 36 Ų | 36 | 27% | 0.267 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.2 | -38.5 | -179.4 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | Q807 Q832 | Q807-V828 HydrophobicContact CB-CG2 3.83Å; V828-Q832 HydrophobicContact CG1-CG 4.31Å; V828-Q832 VanDerWaalsContact O-CB 3.25Å; V828-Q832 WeakPolarHBondContact O-CB 3.36Å; V828-Q832 WeakPolarHBondContact O-CG 3.48Å; V828-Q832 PolarHBondContact O-N 3.03Å |
| 829 | S | 95.3 | Very high | 94.9 | Very high | 68 Ų | 68 | 34.3 Ų | 34.3 | 48% | 0.476 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.2 | -44 | -178.2 | -45.3 | 0 | 0 | 0 | 0 | 111.7 | D827 A833 | D827-S829 PolarHBondContact O-N 3.46Å; D827-S829 WeakPolarHBondContact OD1-CB 3.28Å; D827-S829 PolarHBondContact OD1-N 2.94Å; D827-S829 VanDerWaalsContact OD1-N 3.07Å; D827-S829 PolarHBondContact OD2-OG 2.86Å; S829-A833 WeakPolarHBondContact O-CB 3.24Å; S829-A833 PolarHBondContact O-N 2.85Å |
| 830 | E | 97.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 33 Ų | 33 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72 | -41.3 | -179.1 | -65.6 | -61.8 | 155 | 0 | 0 | 111.8 | P731 S732 E824 D827 A833 L834 | P731-E830 WeakPolarHBondContact CB-O 3.21Å; P731-E830 WeakPolarHBondContact CD-OE2 3.44Å; S732-E830 WeakPolarHBondContact CB-OE1 3.45Å; S732-E830 WeakPolarHBondContact CB-OE2 3.29Å; S732-E830 PolarHBondContact N-OE2 2.87Å; S732-E830 VanDerWaalsContact OG-CD 3.28Å; S732-E830 PolarHBondContact OG-OE1 3.04Å; S732-E830 PolarHBondContact OG-OE2 3.05Å; E824-E830 WeakPolarHBondContact O-CG 3.35Å; D827-E830 PolarHBondContact O-N 3.22Å; D827-E830 WeakPolarHBondContact OD1-CB 3.4Å; D827-E830 WeakPolarHBondContact OD1-CG 3.25Å; D827-E830 PolarHBondContact OD1-N 3.27Å; E830-A833 PolarHBondContact O-N 2.93Å; E830-L834 WeakPolarHBondContact O-CB 3.41Å; E830-L834 PolarHBondContact O-N 3.44Å |
| 831 | L | 97.7 | Very high | 96 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.1 | -32.7 | 176.1 | -67.2 | -179 | 0 | 0 | 0 | 112.4 | S826 D827 L834 A835 F911 M914 C918 | S826-L831 WeakPolarHBondContact O-CD1 3.48Å; D827-L831 WeakPolarHBondContact O-CG 3.5Å; D827-L831 PolarHBondContact O-N 3.12Å; L831-L834 HydrophobicContact CD2-CD2 4.34Å; L831-A835 WeakPolarHBondContact O-CB 3.4Å; L831-A835 PolarHBondContact O-N 3.45Å; L831-F911 HydrophobicContact CD2-CE2 4.02Å; L831-F911 HydrophobicContact CD2-CZ 4.27Å; L831-M914 HydrophobicContact CD1-CB 3.72Å; L831-M914 HydrophobicContact CD1-CE 3.87Å; L831-C918 HydrophobicContact CB-CB 3.94Å; L831-C918 VanDerWaalsContact CB-SG 3.56Å |
| 832 | Q | 98 | Very high | 96.3 | Very high | 62 Ų | 62 | 31.6 Ų | 31.6 | 29% | 0.29 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66 | -41.5 | 168.6 | -76.4 | 177 | -8.4 | 0 | 0 | 111.3 | V828 A835 E836 C918 V922 | V828-Q832 HydrophobicContact CG1-CG 4.31Å; V828-Q832 VanDerWaalsContact O-CB 3.25Å; V828-Q832 WeakPolarHBondContact O-CB 3.36Å; V828-Q832 WeakPolarHBondContact O-CG 3.48Å; V828-Q832 PolarHBondContact O-N 3.03Å; Q832-A835 PolarHBondContact O-N 3.04Å; Q832-E836 PolarHBondContact O-N 3.46Å; Q832-C918 HydrophobicContact CB-CB 4.5Å; Q832-C918 HydrophobicContact CG-CB 3.76Å; Q832-V922 HydrophobicContact CB-CG2 4.14Å; Q832-V922 HydrophobicContact CG-CG2 4.31Å |
| 833 | A | 97.9 | Very high | 96.5 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 5% | 0.05 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.6 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P731 L735 S829 E830 E836 L837 | P731-A833 HydrophobicContact CB-CB 3.94Å; L735-A833 HydrophobicContact CB-CB 4.38Å; L735-A833 HydrophobicContact CD2-CB 3.7Å; S829-A833 WeakPolarHBondContact O-CB 3.24Å; S829-A833 PolarHBondContact O-N 2.85Å; E830-A833 PolarHBondContact O-N 2.93Å; A833-E836 PolarHBondContact O-N 3Å; A833-L837 VanDerWaalsContact O-CG 3.28Å; A833-L837 WeakPolarHBondContact O-CG 3.25Å; A833-L837 PolarHBondContact O-N 3.43Å |
| 834 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.9 | -47.4 | 172.1 | -178 | 69.4 | 0 | 0 | 0 | 111 | P731 Y783 Y787 E830 L831 E836 L837 I838 M843 L846 | P731-L834 HydrophobicContact CB-CB 4.12Å; P731-L834 HydrophobicContact CG-CB 4.26Å; Y783-L834 HydrophobicContact CD1-CD1 4.07Å; Y783-L834 HydrophobicContact CD2-CD1 4Å; Y783-L834 HydrophobicContact CG-CD1 3.67Å; Y787-L834 HydrophobicContact CD2-CD2 4.16Å; Y787-L834 HydrophobicContact CE2-CD1 4.11Å; Y787-L834 HydrophobicContact CE2-CD2 3.42Å; Y787-L834 VanDerWaalsContact CE2-CD2 3.42Å; Y787-L834 HydrophobicContact CE2-CG 4.36Å; E830-L834 WeakPolarHBondContact O-CB 3.41Å; E830-L834 PolarHBondContact O-N 3.44Å; L831-L834 HydrophobicContact CD2-CD2 4.34Å; L834-E836 VanDerWaalsContact C-N 3.33Å; L834-E836 PolarHBondContact O-N 2.7Å; L834-L837 WeakPolarHBondContact O-CB 3.37Å; L834-L837 PolarHBondContact O-N 3.48Å; L834-L837 VanDerWaalsContact O-N 3.08Å; L834-I838 HydrophobicContact CD1-CD1 4.08Å; L834-I838 HydrophobicContact CD1-CG2 4.24Å; L834-I838 HydrophobicContact CG-CD1 4.02Å; L834-I838 HydrophobicContact CG-CG1 4.46Å; L834-I838 WeakPolarHBondContact O-CG1 3.13Å; L834-I838 PolarHBondContact O-N 3.07Å; L834-M843 HydrophobicContact CD2-SD 4.42Å; L834-L846 HydrophobicContact CD2-CD2 4.32Å |
| 835 | A | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63 | -36.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L831 Q832 L837 G839 M843 L919 V922 | L831-A835 WeakPolarHBondContact O-CB 3.4Å; L831-A835 PolarHBondContact O-N 3.45Å; Q832-A835 PolarHBondContact O-N 3.04Å; A835-L837 VanDerWaalsContact C-N 3.34Å; A835-G839 VanDerWaalsContact O-CA 3.24Å; A835-G839 WeakPolarHBondContact O-CA 3.49Å; A835-G839 PolarHBondContact O-N 3.04Å; A835-M843 HydrophobicContact CB-CE 4.06Å; A835-M843 HydrophobicContact CB-CG 4.5Å; A835-M843 HydrophobicContact CB-SD 4.46Å; A835-L919 HydrophobicContact CB-CB 4.27Å; A835-L919 HydrophobicContact CB-CD1 4.24Å; A835-V922 HydrophobicContact CB-CB 4.44Å; A835-V922 HydrophobicContact CB-CG2 4.07Å |
| 836 | E | 97.4 | Very high | 96.9 | Very high | 51 Ų | 51 | 31.3 Ų | 31.3 | 24% | 0.238 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.5 | -35.1 | 171.5 | -79 | -164.5 | -164 | 0 | 0 | 112.1 | L735 K739 Q832 A833 L834 V922 K925 H926 | L735-E836 HydrophobicContact CD1-CB 4.1Å; L735-E836 HydrophobicContact CD2-CB 3.86Å; L735-E836 HydrophobicContact CD2-CG 4.44Å; L735-E836 WeakPolarHBondContact CD2-OE2 3.43Å; K739-E836 WeakPolarHBondContact CE-OE2 3.38Å; K739-E836 IonicContact NZ-OE2 2.75Å; K739-E836 PolarHBondContact NZ-OE2 3.02Å; Q832-E836 PolarHBondContact O-N 3.46Å; A833-E836 PolarHBondContact O-N 3Å; L834-E836 VanDerWaalsContact C-N 3.33Å; L834-E836 PolarHBondContact O-N 2.7Å; E836-V922 HydrophobicContact CB-CG1 4.5Å; E836-V922 HydrophobicContact CG-CB 4.45Å; E836-V922 HydrophobicContact CG-CG1 3.62Å; E836-V922 HydrophobicContact CG-CG2 3.9Å; E836-K925 IonicContact OE1-NZ 3.23Å; E836-K925 PolarHBondContact OE1-NZ 3.42Å; E836-H926 IonicContact OE1-NE2 3.59Å |
| 837 | L | 97.6 | Very high | 96.8 | Very high | 21 Ų | 21 | 31.4 Ų | 31.4 | 11% | 0.11 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.6 | -50.3 | -179.3 | -75.7 | 166.1 | 0 | 0 | 0 | 113.2 | P731 L734 L735 I738 A833 L834 A835 | P731-L837 HydrophobicContact CB-CD1 4.21Å; P731-L837 WeakPolarHBondContact O-CD1 3.47Å; L734-L837 HydrophobicContact CB-CD1 4.33Å; L734-L837 HydrophobicContact CD2-CD1 4.04Å; L734-L837 HydrophobicContact CD2-CD2 4.39Å; L734-L837 HydrophobicContact CG-CD1 4.31Å; L734-L837 HydrophobicContact CG-CD2 4.28Å; L735-L837 HydrophobicContact CB-CD1 4.24Å; L735-L837 HydrophobicContact CB-CD2 4.1Å; L735-L837 HydrophobicContact CB-CG 4.06Å; L735-L837 HydrophobicContact CD1-CD2 4Å; L735-L837 HydrophobicContact CD1-CG 4.14Å; I738-L837 HydrophobicContact CD1-CD2 3.6Å; A833-L837 VanDerWaalsContact O-CG 3.28Å; A833-L837 WeakPolarHBondContact O-CG 3.25Å; A833-L837 PolarHBondContact O-N 3.43Å; L834-L837 WeakPolarHBondContact O-CB 3.37Å; L834-L837 PolarHBondContact O-N 3.48Å; L834-L837 VanDerWaalsContact O-N 3.08Å; A835-L837 VanDerWaalsContact C-N 3.34Å |
| 838 | I | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -102.3 | -12.1 | -169.6 | 76.9 | 179 | 0 | 0 | 0 | 113.1 | T768 V779 T780 L834 G842 M843 | T768-I838 VanDerWaalsContact CB-O 3.28Å; T768-I838 WeakPolarHBondContact CB-O 3.36Å; T768-I838 WeakPolarHBondContact CG2-O 3.49Å; V779-I838 HydrophobicContact CG1-CG2 3.97Å; T780-I838 WeakPolarHBondContact OG1-CB 3.35Å; L834-I838 HydrophobicContact CD1-CD1 4.08Å; L834-I838 HydrophobicContact CD1-CG2 4.24Å; L834-I838 HydrophobicContact CG-CD1 4.02Å; L834-I838 HydrophobicContact CG-CG1 4.46Å; L834-I838 WeakPolarHBondContact O-CG1 3.13Å; L834-I838 PolarHBondContact O-N 3.07Å; I838-G842 WeakPolarHBondContact O-CA 3.27Å; I838-G842 PolarHBondContact O-N 3.24Å; I838-M843 HydrophobicContact CD1-CG 4.16Å; I838-M843 HydrophobicContact CD1-SD 3.71Å; I838-M843 HydrophobicContact CG1-CG 3.89Å; I838-M843 HydrophobicContact CG1-SD 3.94Å |
| 839 | G | 96.4 | Very high | 96.7 | Very high | 12 Ų | 12 | 34.1 Ų | 34.1 | 12% | 0.124 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | 59.3 | -168.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A835 Y841 G842 M843 | A835-G839 VanDerWaalsContact O-CA 3.24Å; A835-G839 WeakPolarHBondContact O-CA 3.49Å; A835-G839 PolarHBondContact O-N 3.04Å; G839-Y841 VanDerWaalsContact C-N 3.28Å; G839-Y841 PolarHBondContact O-N 3.02Å; G839-G842 PolarHBondContact O-N 3.38Å; G839-M843 WeakPolarHBondContact O-CB 3.22Å; G839-M843 WeakPolarHBondContact O-CG 3.39Å; G839-M843 PolarHBondContact O-N 3.35Å |
| 840 | P | 96.4 | Very high | 96.8 | Very high | 50 Ų | 50 | 31 Ų | 31 | 33% | 0.325 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -58.3 | -37.6 | 179 | -25.8 | 35 | 0 | 0 | 0 | 113.5 | K844 L919 L923 | P840-K844 VanDerWaalsContact O-CB 3.28Å; P840-K844 WeakPolarHBondContact O-CB 3.43Å; P840-K844 PolarHBondContact O-N 3.49Å; P840-L919 HydrophobicContact CG-CD1 4.48Å; P840-L923 HydrophobicContact CG-CD1 4.15Å; P840-L923 HydrophobicContact CG-CD2 3.89Å |
| 841 | Y | 97 | Very high | 96.7 | Very high | 144 Ų | 144 | 30.6 Ų | 30.6 | 57% | 0.565 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -65.2 | -51.2 | -179.7 | -63.9 | -61 | 0 | 0 | 0 | 112.1 | L765 G839 K844 F845 | L765-Y841 HydrophobicContact CD1-CD2 4.3Å; L765-Y841 HydrophobicContact CD1-CE2 4.07Å; G839-Y841 VanDerWaalsContact C-N 3.28Å; G839-Y841 PolarHBondContact O-N 3.02Å; Y841-K844 PolarHBondContact O-N 3.47Å; Y841-F845 PolarHBondContact O-N 2.95Å |
| 842 | G | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.1 | -35 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T768 I838 G839 F845 L846 | T768-G842 WeakPolarHBondContact O-CA 3.18Å; T768-G842 PolarHBondContact O-N 3.17Å; I838-G842 WeakPolarHBondContact O-CA 3.27Å; I838-G842 PolarHBondContact O-N 3.24Å; G839-G842 PolarHBondContact O-N 3.38Å; G842-F845 PolarHBondContact O-N 3.3Å; G842-L846 WeakPolarHBondContact O-CB 3.39Å; G842-L846 PolarHBondContact O-N 2.94Å |
| 843 | M | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.3 | -35.2 | 174.8 | -67.7 | -64.4 | -89.5 | 0 | 0 | 112.2 | L834 A835 I838 G839 L846 G847 A915 M916 L919 | L834-M843 HydrophobicContact CD2-SD 4.42Å; A835-M843 HydrophobicContact CB-CE 4.06Å; A835-M843 HydrophobicContact CB-CG 4.5Å; A835-M843 HydrophobicContact CB-SD 4.46Å; I838-M843 HydrophobicContact CD1-CG 4.16Å; I838-M843 HydrophobicContact CD1-SD 3.71Å; I838-M843 HydrophobicContact CG1-CG 3.89Å; I838-M843 HydrophobicContact CG1-SD 3.94Å; G839-M843 WeakPolarHBondContact O-CB 3.22Å; G839-M843 WeakPolarHBondContact O-CG 3.39Å; G839-M843 PolarHBondContact O-N 3.35Å; M843-L846 HydrophobicContact SD-CD2 4.24Å; M843-G847 PolarHBondContact O-N 2.94Å; M843-A915 HydrophobicContact CE-CB 3.68Å; M843-A915 WeakPolarHBondContact CE-O 3.46Å; M843-M916 HydrophobicContact CB-CE 4.02Å; M843-M916 HydrophobicContact CE-CE 4.35Å; M843-L919 HydrophobicContact CB-CD2 3.85Å; M843-L919 HydrophobicContact CE-CB 4.12Å; M843-L919 HydrophobicContact CG-CD1 4.19Å; M843-L919 HydrophobicContact CG-CD2 4.19Å |
| 844 | K | 95.3 | Very high | 96.1 | Very high | 88 Ų | 88 | 37.5 Ų | 37.5 | 38% | 0.383 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.5 | -48.8 | 170.2 | -179.2 | 173.2 | -179.6 | 164.1 | 0 | 110.5 | P840 Y841 L846 G847 E848 E955 | P840-K844 VanDerWaalsContact O-CB 3.28Å; P840-K844 WeakPolarHBondContact O-CB 3.43Å; P840-K844 PolarHBondContact O-N 3.49Å; Y841-K844 PolarHBondContact O-N 3.47Å; K844-L846 PolarHBondContact O-N 3.42Å; K844-G847 CarbonylContact O-C 3.44Å; K844-G847 WeakPolarHBondContact O-CA 3.49Å; K844-G847 PolarHBondContact O-N 3.24Å; K844-G847 VanDerWaalsContact O-N 3.08Å; K844-E848 WeakPolarHBondContact CE-OE1 3.31Å; K844-E848 WeakPolarHBondContact O-CG 3.43Å; K844-E848 PolarHBondContact O-N 3.25Å; K844-E955 IonicContact NZ-OE1 3.52Å; K844-E955 PolarHBondContact NZ-OE1 3.48Å |
| 845 | F | 96.6 | Very high | 95.9 | Very high | 45 Ų | 45 | 38.5 Ų | 38.5 | 20% | 0.197 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 177.5 | 179.5 | -100.6 | 0 | 0 | 0 | 112.4 | P770 T780 T784 Y841 G842 G847 E848 N849 | P770-F845 HydrophobicContact CB-CD1 4.44Å; P770-F845 HydrophobicContact CB-CD2 4.22Å; P770-F845 HydrophobicContact CB-CE1 4.03Å; P770-F845 HydrophobicContact CB-CE2 3.8Å; P770-F845 HydrophobicContact CB-CZ 3.69Å; P770-F845 HydrophobicContact CG-CD2 4.22Å; P770-F845 HydrophobicContact CG-CE2 4.04Å; P770-F845 HydrophobicContact CG-CZ 4.44Å; T780-F845 HydrophobicContact CG2-CB 4.21Å; T780-F845 HydrophobicContact CG2-CD1 3.58Å; T780-F845 HydrophobicContact CG2-CE1 4.35Å; T780-F845 HydrophobicContact CG2-CG 4.18Å; T784-F845 HydrophobicContact CG2-CD1 4.07Å; T784-F845 HydrophobicContact CG2-CE1 3.86Å; Y841-F845 PolarHBondContact O-N 2.95Å; G842-F845 PolarHBondContact O-N 3.3Å; F845-G847 VanDerWaalsContact C-N 3.3Å; F845-G847 PolarHBondContact O-N 3.23Å; F845-E848 PolarHBondContact O-N 3.44Å; F845-N849 WeakPolarHBondContact CE1-ND2 3.37Å; F845-N849 WeakPolarHBondContact CE2-ND2 3.27Å; F845-N849 WeakPolarHBondContact CZ-ND2 3.24Å; F845-N849 PolarHBondContact O-N 2.89Å; F845-N849 VanDerWaalsContact O-N 3.09Å; F845-N849 PolarHBondContact O-ND2 3.5Å |
| 846 | L | 97 | Very high | 95.7 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.4 | -48.4 | 171.8 | 172.6 | 60.8 | 0 | 0 | 0 | 110.5 | T784 L834 G842 M843 K844 E848 N849 L850 F911 | T784-L846 HydrophobicContact CG2-CD1 3.96Å; L834-L846 HydrophobicContact CD2-CD2 4.32Å; G842-L846 WeakPolarHBondContact O-CB 3.39Å; G842-L846 PolarHBondContact O-N 2.94Å; M843-L846 HydrophobicContact SD-CD2 4.24Å; K844-L846 PolarHBondContact O-N 3.42Å; L846-E848 PolarHBondContact O-N 2.82Å; L846-N849 PolarHBondContact O-N 3.24Å; L846-L850 HydrophobicContact CD1-CD1 4.3Å; L846-L850 HydrophobicContact CD1-CG 4.26Å; L846-L850 HydrophobicContact CG-CD1 4.13Å; L846-L850 VanDerWaalsContact O-CG 3.26Å; L846-L850 WeakPolarHBondContact O-CG 3.47Å; L846-L850 PolarHBondContact O-N 3.22Å; L846-F911 HydrophobicContact CD1-CE1 4.48Å; L846-F911 HydrophobicContact CD2-CE1 4.21Å |
| 847 | G | 94.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.7 | -47.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | M843 K844 F845 N849 L850 M851 | M843-G847 PolarHBondContact O-N 2.94Å; K844-G847 CarbonylContact O-C 3.44Å; K844-G847 WeakPolarHBondContact O-CA 3.49Å; K844-G847 PolarHBondContact O-N 3.24Å; K844-G847 VanDerWaalsContact O-N 3.08Å; F845-G847 VanDerWaalsContact C-N 3.3Å; F845-G847 PolarHBondContact O-N 3.23Å; G847-N849 PolarHBondContact O-N 3.44Å; G847-L850 WeakPolarHBondContact O-CB 3.32Å; G847-L850 PolarHBondContact O-N 3.34Å; G847-M851 WeakPolarHBondContact O-CG 3.31Å; G847-M851 PolarHBondContact O-N 2.92Å |
| 848 | E | 93.4 | Very high | 95.5 | Very high | 100 Ų | 100 | 39 Ų | 39 | 47% | 0.467 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62 | -40.9 | 178.4 | -72.4 | 172.1 | 178.7 | 0 | 0 | 112.1 | K844 F845 L846 M851 W852 | K844-E848 WeakPolarHBondContact CE-OE1 3.31Å; K844-E848 WeakPolarHBondContact O-CG 3.43Å; K844-E848 PolarHBondContact O-N 3.25Å; F845-E848 PolarHBondContact O-N 3.44Å; L846-E848 PolarHBondContact O-N 2.82Å; E848-M851 WeakPolarHBondContact O-CB 3.34Å; E848-M851 PolarHBondContact O-N 2.83Å; E848-W852 PolarHBondContact O-N 3.23Å |
| 849 | N | 95.8 | Very high | 95.3 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 27% | 0.267 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.5 | -38.3 | 175.9 | -74.6 | -90.9 | 0 | 0 | 0 | 111.7 | T784 L788 F845 L846 G847 M851 W852 H853 | T784-N849 HydrophobicContact CG2-CB 3.96Å; L788-N849 HydrophobicContact CD1-CB 3.72Å; F845-N849 WeakPolarHBondContact CE1-ND2 3.37Å; F845-N849 WeakPolarHBondContact CE2-ND2 3.27Å; F845-N849 WeakPolarHBondContact CZ-ND2 3.24Å; F845-N849 PolarHBondContact O-N 2.89Å; F845-N849 VanDerWaalsContact O-N 3.09Å; F845-N849 PolarHBondContact O-ND2 3.5Å; L846-N849 PolarHBondContact O-N 3.24Å; G847-N849 PolarHBondContact O-N 3.44Å; N849-M851 VanDerWaalsContact C-N 3.3Å; N849-M851 PolarHBondContact O-N 3.23Å; N849-W852 WeakPolarHBondContact O-CB 3.16Å; N849-W852 PolarHBondContact O-N 2.95Å; N849-H853 PolarHBondContact O-CD2 3.33Å; N849-H853 VanDerWaalsContact O-CD2 3.28Å; N849-H853 PolarHBondContact O-N 3.19Å |
| 850 | L | 96.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.1 | -43.2 | 171.6 | -65.8 | 169.8 | 0 | 0 | 0 | 111 | L788 L792 L846 G847 W852 H853 I854 I908 F911 R912 | L788-L850 HydrophobicContact CD2-CD2 3.52Å; L788-L850 HydrophobicContact CD2-CG 4.39Å; L792-L850 HydrophobicContact CD1-CD2 3.35Å; L846-L850 HydrophobicContact CD1-CD1 4.3Å; L846-L850 HydrophobicContact CD1-CG 4.26Å; L846-L850 HydrophobicContact CG-CD1 4.13Å; L846-L850 VanDerWaalsContact O-CG 3.26Å; L846-L850 WeakPolarHBondContact O-CG 3.47Å; L846-L850 PolarHBondContact O-N 3.22Å; G847-L850 WeakPolarHBondContact O-CB 3.32Å; G847-L850 PolarHBondContact O-N 3.34Å; L850-W852 VanDerWaalsContact C-N 3.3Å; L850-W852 PolarHBondContact O-N 3.11Å; L850-H853 PolarHBondContact O-N 3.17Å; L850-I854 WeakPolarHBondContact O-CG1 3.49Å; L850-I854 PolarHBondContact O-N 2.93Å; L850-I854 VanDerWaalsContact O-N 3.13Å; L850-I908 HydrophobicContact CB-CG2 3.75Å; L850-I908 HydrophobicContact CD2-CG2 3.82Å; L850-I908 HydrophobicContact CG-CG2 4.29Å; L850-F911 HydrophobicContact CD1-CD1 3.93Å; L850-F911 HydrophobicContact CD1-CE1 4.21Å; L850-F911 HydrophobicContact CD2-CD1 4.16Å; L850-F911 HydrophobicContact CD2-CE1 4.48Å; L850-R912 HydrophobicContact CD1-CB 4.02Å |
| 851 | M | 94.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.02 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.4 | -37.9 | 176.9 | -66.6 | -51.6 | 102.7 | 0 | 0 | 112.1 | G847 E848 N849 H853 I854 T855 L909 A969 L970 A973 | G847-M851 WeakPolarHBondContact O-CG 3.31Å; G847-M851 PolarHBondContact O-N 2.92Å; E848-M851 WeakPolarHBondContact O-CB 3.34Å; E848-M851 PolarHBondContact O-N 2.83Å; N849-M851 VanDerWaalsContact C-N 3.3Å; N849-M851 PolarHBondContact O-N 3.23Å; M851-H853 VanDerWaalsContact C-N 3.33Å; M851-H853 PolarHBondContact O-N 3.01Å; M851-I854 HydrophobicContact CE-CD1 3.67Å; M851-I854 WeakPolarHBondContact O-CB 3.33Å; M851-I854 PolarHBondContact O-N 2.78Å; M851-I854 VanDerWaalsContact O-N 3.1Å; M851-I854 HydrophobicContact SD-CD1 4.09Å; M851-T855 WeakPolarHBondContact O-CG2 3.33Å; M851-T855 PolarHBondContact O-N 2.98Å; M851-T855 PolarHBondContact O-OG1 2.92Å; M851-L909 HydrophobicContact CE-CD2 4.32Å; M851-A969 HydrophobicContact CG-CB 4.02Å; M851-A969 HydrophobicContact SD-CB 4.48Å; M851-L970 HydrophobicContact SD-CB 3.71Å; M851-L970 HydrophobicContact SD-CD1 3.7Å; M851-L970 HydrophobicContact SD-CG 4.28Å; M851-A973 HydrophobicContact CB-CB 3.78Å; M851-A973 HydrophobicContact CG-CB 4.34Å |
| 852 | W | 93.1 | Very high | 94.9 | Very high | 166 Ų | 166 | 35.4 Ų | 35.4 | 63% | 0.629 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -60.5 | -40.4 | 176.3 | -175.7 | 91.4 | 0 | 0 | 0 | 112.5 | E848 N849 L850 I854 T855 S856 | E848-W852 PolarHBondContact O-N 3.23Å; N849-W852 WeakPolarHBondContact O-CB 3.16Å; N849-W852 PolarHBondContact O-N 2.95Å; L850-W852 VanDerWaalsContact C-N 3.3Å; L850-W852 PolarHBondContact O-N 3.11Å; W852-I854 VanDerWaalsContact C-N 3.34Å; W852-I854 PolarHBondContact O-N 2.92Å; W852-T855 PolarHBondContact O-N 2.82Å; W852-T855 PolarHBondContact O-OG1 3.17Å; W852-S856 PolarHBondContact O-N 2.92Å; W852-S856 VanDerWaalsContact O-N 3.16Å |
| 853 | H | 92.9 | Very high | 94.8 | Very high | 49 Ų | 49 | 40.9 Ų | 40.9 | 23% | 0.227 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.3 | -34.9 | 173.7 | -74.6 | -83.3 | 0 | 0 | 0 | 112.3 | L788 N849 L850 M851 S856 Q857 I908 | L788-H853 VanDerWaalsContact CD2-CD2 3.47Å; L788-H853 WeakPolarHBondContact CD2-CD2 3.4Å; N849-H853 PolarHBondContact O-CD2 3.33Å; N849-H853 VanDerWaalsContact O-CD2 3.28Å; N849-H853 PolarHBondContact O-N 3.19Å; L850-H853 PolarHBondContact O-N 3.17Å; M851-H853 VanDerWaalsContact C-N 3.33Å; M851-H853 PolarHBondContact O-N 3.01Å; H853-S856 WeakPolarHBondContact O-CB 3.42Å; H853-S856 PolarHBondContact O-N 3.12Å; H853-Q857 WeakPolarHBondContact O-CG 3.36Å; H853-Q857 PolarHBondContact O-N 2.9Å; H853-I908 HydrophobicContact CB-CD1 3.96Å |
| 854 | I | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.4 | -48.1 | 174.7 | -65.9 | 172.2 | 0 | 0 | 0 | 110.8 | L850 M851 W852 S856 Q857 V858 I905 I908 L909 L970 | L850-I854 WeakPolarHBondContact O-CG1 3.49Å; L850-I854 PolarHBondContact O-N 2.93Å; L850-I854 VanDerWaalsContact O-N 3.13Å; M851-I854 HydrophobicContact CE-CD1 3.67Å; M851-I854 WeakPolarHBondContact O-CB 3.33Å; M851-I854 PolarHBondContact O-N 2.78Å; M851-I854 VanDerWaalsContact O-N 3.1Å; M851-I854 HydrophobicContact SD-CD1 4.09Å; W852-I854 VanDerWaalsContact C-N 3.34Å; W852-I854 PolarHBondContact O-N 2.92Å; I854-S856 PolarHBondContact O-N 3.35Å; I854-Q857 PolarHBondContact O-N 2.86Å; I854-V858 HydrophobicContact CG2-CG2 4.09Å; I854-V858 WeakPolarHBondContact O-CG2 3.44Å; I854-V858 PolarHBondContact O-N 2.81Å; I854-I905 HydrophobicContact CG1-CG2 4.42Å; I854-I905 HydrophobicContact CG2-CG1 4.25Å; I854-I905 HydrophobicContact CG2-CG2 3.98Å; I854-I908 HydrophobicContact CD1-CB 4.42Å; I854-I908 HydrophobicContact CD1-CG2 3.85Å; I854-I908 HydrophobicContact CG1-CB 4.24Å; I854-I908 HydrophobicContact CG1-CD1 4.3Å; I854-I908 HydrophobicContact CG1-CG2 3.85Å; I854-L909 HydrophobicContact CD1-CD2 3.55Å; I854-L909 HydrophobicContact CD1-CG 3.81Å; I854-L970 HydrophobicContact CB-CD1 4.5Å; I854-L970 HydrophobicContact CD1-CD1 4.38Å; I854-L970 HydrophobicContact CG2-CD1 3.77Å |
| 855 | T | 94.6 | Very high | 94.6 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 12% | 0.123 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.2 | -32.9 | 180 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | M851 W852 V858 S859 A973 I974 M977 | M851-T855 WeakPolarHBondContact O-CG2 3.33Å; M851-T855 PolarHBondContact O-N 2.98Å; M851-T855 PolarHBondContact O-OG1 2.92Å; W852-T855 PolarHBondContact O-N 2.82Å; W852-T855 PolarHBondContact O-OG1 3.17Å; T855-V858 PolarHBondContact O-N 2.97Å; T855-S859 WeakPolarHBondContact O-CB 3.13Å; T855-S859 PolarHBondContact O-N 3.14Å; T855-S859 PolarHBondContact O-OG 3.37Å; T855-A973 HydrophobicContact CG2-CB 3.68Å; T855-I974 HydrophobicContact CG2-CD1 4.47Å; T855-M977 VanDerWaalsContact CB-SD 3.55Å; T855-M977 HydrophobicContact CG2-CG 4.01Å; T855-M977 HydrophobicContact CG2-SD 3.64Å; T855-M977 VanDerWaalsContact O-CE 3.3Å; T855-M977 WeakPolarHBondContact O-CE 3.48Å |
| 856 | S | 93.9 | Very high | 94.4 | Very high | 53 Ų | 53 | 40 Ų | 40 | 37% | 0.371 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 170.2 | -174.7 | 0 | 0 | 0 | 0 | 112 | W852 H853 I854 S859 E860 | W852-S856 PolarHBondContact O-N 2.92Å; W852-S856 VanDerWaalsContact O-N 3.16Å; H853-S856 WeakPolarHBondContact O-CB 3.42Å; H853-S856 PolarHBondContact O-N 3.12Å; I854-S856 PolarHBondContact O-N 3.35Å; S856-S859 WeakPolarHBondContact O-CB 3.25Å; S856-S859 PolarHBondContact O-N 3.01Å; S856-E860 PolarHBondContact O-N 3.45Å |
| 857 | Q | 95.1 | Very high | 94.3 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 15% | 0.15 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66 | -38.9 | 176.1 | -62.8 | -52.2 | -40.8 | 0 | 0 | 112.7 | H853 I854 S859 E860 L861 I904 I905 | H853-Q857 WeakPolarHBondContact O-CG 3.36Å; H853-Q857 PolarHBondContact O-N 2.9Å; I854-Q857 PolarHBondContact O-N 2.86Å; Q857-S859 VanDerWaalsContact C-N 3.33Å; Q857-S859 PolarHBondContact O-N 2.64Å; Q857-E860 PolarHBondContact O-N 3.35Å; Q857-L861 WeakPolarHBondContact O-CG 3.31Å; Q857-L861 PolarHBondContact O-N 3.22Å; Q857-I904 HydrophobicContact CG-CG2 4.07Å; Q857-I905 HydrophobicContact CB-CD1 3.78Å; Q857-I905 HydrophobicContact CB-CG1 3.64Å; Q857-I905 HydrophobicContact CG-CG1 4.19Å |
| 858 | V | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 177.4 | 173 | 0 | 0 | 0 | 0 | 111.3 | I854 T855 E860 L861 K862 I905 I974 M977 L1034 M1038 | I854-V858 HydrophobicContact CG2-CG2 4.09Å; I854-V858 WeakPolarHBondContact O-CG2 3.44Å; I854-V858 PolarHBondContact O-N 2.81Å; T855-V858 PolarHBondContact O-N 2.97Å; V858-E860 VanDerWaalsContact C-N 3.29Å; V858-E860 PolarHBondContact O-N 3.43Å; V858-L861 PolarHBondContact O-N 2.81Å; V858-K862 HydrophobicContact CG1-CG 4.5Å; V858-K862 WeakPolarHBondContact O-CG 3.33Å; V858-K862 PolarHBondContact O-N 3.43Å; V858-I905 HydrophobicContact CG2-CD1 3.91Å; V858-I974 HydrophobicContact CB-CD1 4.41Å; V858-I974 HydrophobicContact CG1-CD1 4.1Å; V858-I974 HydrophobicContact CG2-CD1 4.08Å; V858-M977 HydrophobicContact CB-CE 4.27Å; V858-M977 HydrophobicContact CB-SD 4.4Å; V858-M977 HydrophobicContact CG1-CE 4.09Å; V858-M977 HydrophobicContact CG1-SD 4.19Å; V858-L1034 HydrophobicContact CG2-CD1 3.66Å; V858-L1034 HydrophobicContact CG2-CD2 4.08Å; V858-M1038 HydrophobicContact CG1-CE 3.5Å; V858-M1038 VanDerWaalsContact CG1-CE 3.5Å; V858-M1038 HydrophobicContact CG2-CE 4.41Å |
| 859 | S | 93.6 | Very high | 94.2 | Very high | 46 Ų | 46 | 45 Ų | 45 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.7 | -43.7 | 176.3 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | T855 S856 Q857 K862 K863 M977 | T855-S859 WeakPolarHBondContact O-CB 3.13Å; T855-S859 PolarHBondContact O-N 3.14Å; T855-S859 PolarHBondContact O-OG 3.37Å; S856-S859 WeakPolarHBondContact O-CB 3.25Å; S856-S859 PolarHBondContact O-N 3.01Å; Q857-S859 VanDerWaalsContact C-N 3.33Å; Q857-S859 PolarHBondContact O-N 2.64Å; S859-K862 PolarHBondContact O-N 3.39Å; S859-K863 WeakPolarHBondContact O-CG 3.39Å; S859-K863 PolarHBondContact O-N 3.38Å; S859-M977 WeakPolarHBondContact OG-CE 3.31Å |
| 860 | E | 94.8 | Very high | 94 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 27% | 0.271 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.8 | -39.9 | 177.3 | -66 | -64.4 | 116 | 0 | 0 | 112 | S856 Q857 V858 K862 K863 M864 R901 | S856-E860 PolarHBondContact O-N 3.45Å; Q857-E860 PolarHBondContact O-N 3.35Å; V858-E860 VanDerWaalsContact C-N 3.29Å; V858-E860 PolarHBondContact O-N 3.43Å; E860-K862 VanDerWaalsContact C-N 3.34Å; E860-K862 PolarHBondContact O-N 2.98Å; E860-K863 WeakPolarHBondContact O-CB 3.16Å; E860-K863 PolarHBondContact O-N 2.95Å; E860-K863 IonicContact OE1-NZ 3.82Å; E860-K863 PolarHBondContact OE1-NZ 3.47Å; E860-M864 WeakPolarHBondContact O-CG 3.29Å; E860-M864 PolarHBondContact O-N 2.98Å; E860-M864 VanDerWaalsContact O-N 3.16Å; E860-R901 IonicContact OE2-CZ 2.79Å; E860-R901 IonicContact OE2-NH2 3.84Å; E860-R901 PolarHBondContact OE2-NH2 3.34Å |
| 861 | L | 95.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 173.9 | -75.3 | 169.1 | 0 | 0 | 0 | 112.2 | Q857 V858 K863 M864 V865 A898 R901 M902 I905 L994 | Q857-L861 WeakPolarHBondContact O-CG 3.31Å; Q857-L861 PolarHBondContact O-N 3.22Å; V858-L861 PolarHBondContact O-N 2.81Å; L861-K863 PolarHBondContact O-N 3.47Å; L861-M864 PolarHBondContact O-N 2.83Å; L861-V865 WeakPolarHBondContact O-CG2 3.38Å; L861-V865 PolarHBondContact O-N 2.83Å; L861-A898 HydrophobicContact CD2-CB 4.09Å; L861-R901 HydrophobicContact CD1-CB 4.33Å; L861-R901 HydrophobicContact CD2-CB 3.89Å; L861-R901 HydrophobicContact CG-CB 4.01Å; L861-M902 HydrophobicContact CD1-CG 3.93Å; L861-M902 HydrophobicContact CD1-SD 3.55Å; L861-M902 VanDerWaalsContact CD1-SD 3.55Å; L861-M902 HydrophobicContact CD2-CG 4.29Å; L861-I905 HydrophobicContact CD1-CD1 3.68Å; L861-L994 HydrophobicContact CB-CD1 4.02Å; L861-L994 HydrophobicContact CD1-CD1 4.46Å; L861-L994 HydrophobicContact CD2-CD1 4.21Å; L861-L994 HydrophobicContact CG-CD1 4.47Å |
| 862 | K | 92.3 | Very high | 93.8 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -43.7 | 175.8 | -76.3 | -176.8 | 173.2 | -169.4 | 0 | 111.8 | V858 S859 E860 M864 V865 I866 E987 | V858-K862 HydrophobicContact CG1-CG 4.5Å; V858-K862 WeakPolarHBondContact O-CG 3.33Å; V858-K862 PolarHBondContact O-N 3.43Å; S859-K862 PolarHBondContact O-N 3.39Å; E860-K862 VanDerWaalsContact C-N 3.34Å; E860-K862 PolarHBondContact O-N 2.98Å; K862-M864 VanDerWaalsContact C-N 3.31Å; K862-M864 PolarHBondContact O-N 3.28Å; K862-V865 PolarHBondContact O-N 2.72Å; K862-I866 VanDerWaalsContact O-CG1 3.3Å; K862-I866 WeakPolarHBondContact O-CG1 3.48Å; K862-I866 PolarHBondContact O-N 3.26Å; K862-E987 WeakPolarHBondContact CE-OE2 3.44Å; K862-E987 IonicContact NZ-OE1 3.23Å; K862-E987 PolarHBondContact NZ-OE1 3.35Å; K862-E987 IonicContact NZ-OE2 3.41Å; K862-E987 PolarHBondContact NZ-OE2 2.6Å |
| 863 | K | 93.5 | Very high | 93.8 | Very high | 114 Ų | 114 | 42.8 Ų | 42.8 | 50% | 0.496 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.5 | -45.4 | 175.2 | -67.7 | 173.1 | -175 | 170.7 | 0 | 111.3 | S859 E860 L861 V865 I866 E867 | S859-K863 WeakPolarHBondContact O-CG 3.39Å; S859-K863 PolarHBondContact O-N 3.38Å; E860-K863 WeakPolarHBondContact O-CB 3.16Å; E860-K863 PolarHBondContact O-N 2.95Å; E860-K863 IonicContact OE1-NZ 3.82Å; E860-K863 PolarHBondContact OE1-NZ 3.47Å; L861-K863 PolarHBondContact O-N 3.47Å; K863-V865 VanDerWaalsContact C-N 3.33Å; K863-V865 PolarHBondContact O-N 2.65Å; K863-I866 WeakPolarHBondContact O-CB 3.34Å; K863-I866 PolarHBondContact O-N 3.01Å; K863-E867 WeakPolarHBondContact O-CG 3.39Å; K863-E867 PolarHBondContact O-N 3.34Å |
| 864 | M | 94.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 10% | 0.099 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.8 | -33.7 | 179 | -63.3 | 177.2 | 75.4 | 0 | 0 | 113.2 | E860 L861 K862 N868 G894 N897 A898 Y997 | E860-M864 WeakPolarHBondContact O-CG 3.29Å; E860-M864 PolarHBondContact O-N 2.98Å; E860-M864 VanDerWaalsContact O-N 3.16Å; L861-M864 PolarHBondContact O-N 2.83Å; K862-M864 VanDerWaalsContact C-N 3.31Å; K862-M864 PolarHBondContact O-N 3.28Å; M864-N868 PolarHBondContact O-N 3.18Å; M864-N868 PolarHBondContact O-ND2 2.61Å; M864-G894 WeakPolarHBondContact CE-O 3.42Å; M864-N897 HydrophobicContact CE-CB 3.56Å; M864-N897 HydrophobicContact SD-CB 4.41Å; M864-A898 HydrophobicContact CE-CB 4.11Å; M864-Y997 HydrophobicContact CB-CE1 4.06Å |
| 865 | V | 94.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.2 | -42.2 | 172.9 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | L861 K862 K863 N868 M869 L872 L990 L993 L994 Y997 | L861-V865 WeakPolarHBondContact O-CG2 3.38Å; L861-V865 PolarHBondContact O-N 2.83Å; K862-V865 PolarHBondContact O-N 2.72Å; K863-V865 VanDerWaalsContact C-N 3.33Å; K863-V865 PolarHBondContact O-N 2.65Å; V865-N868 CarbonylContact O-C 3.58Å; V865-N868 PolarHBondContact O-N 3.23Å; V865-M869 VanDerWaalsContact O-CA 3.32Å; V865-M869 WeakPolarHBondContact O-CA 3.44Å; V865-M869 PolarHBondContact O-N 3.35Å; V865-L872 HydrophobicContact CB-CD1 4.47Å; V865-L872 HydrophobicContact CG1-CD1 4.09Å; V865-L990 HydrophobicContact CG1-CD2 3.92Å; V865-L993 HydrophobicContact CG1-CB 3.63Å; V865-L993 HydrophobicContact CG1-CD1 4.47Å; V865-L994 HydrophobicContact CG2-CB 3.91Å; V865-L994 HydrophobicContact CG2-CD1 3.86Å; V865-L994 HydrophobicContact CG2-CG 4.5Å; V865-Y997 HydrophobicContact CG2-CD1 4.03Å |
| 866 | I | 92.9 | Very high | 93.1 | Very high | 95 Ų | 95 | 45.8 Ų | 45.8 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 177.1 | -67.8 | 163.7 | 0 | 0 | 0 | 110.3 | K862 K863 N868 M869 L990 | K862-I866 VanDerWaalsContact O-CG1 3.3Å; K862-I866 WeakPolarHBondContact O-CG1 3.48Å; K862-I866 PolarHBondContact O-N 3.26Å; K863-I866 WeakPolarHBondContact O-CB 3.34Å; K863-I866 PolarHBondContact O-N 3.01Å; I866-N868 PolarHBondContact O-N 3.26Å; I866-M869 WeakPolarHBondContact O-CB 3.44Å; I866-M869 PolarHBondContact O-N 2.94Å; I866-L990 HydrophobicContact CD1-CD1 4.33Å; I866-L990 HydrophobicContact CD1-CD2 4.46Å; I866-L990 HydrophobicContact CG1-CD1 4.35Å; I866-L990 HydrophobicContact CG1-CD2 3.61Å |
| 867 | E | 94.1 | Very high | 92.8 | Very high | 146 Ų | 146 | 48.1 Ų | 48.1 | 68% | 0.682 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -59.2 | -31 | 177.2 | -73 | 171.1 | -175.9 | 0 | 0 | 113.3 | K863 | K863-E867 WeakPolarHBondContact O-CG 3.39Å; K863-E867 PolarHBondContact O-N 3.34Å |
| 868 | N | 94.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 12.4 | -178 | -71.6 | -85.7 | 0 | 0 | 0 | 113.5 | M864 V865 I866 D870 I871 L872 L892 T893 | M864-N868 PolarHBondContact O-N 3.18Å; M864-N868 PolarHBondContact O-ND2 2.61Å; V865-N868 CarbonylContact O-C 3.58Å; V865-N868 PolarHBondContact O-N 3.23Å; I866-N868 PolarHBondContact O-N 3.26Å; N868-D870 PolarHBondContact O-N 2.7Å; N868-I871 PolarHBondContact O-N 3.4Å; N868-I871 VanDerWaalsContact O-N 3.1Å; N868-L872 HydrophobicContact CB-CD1 3.94Å; N868-L872 HydrophobicContact CB-CG 4.07Å; N868-L872 WeakPolarHBondContact O-CG 3.45Å; N868-L872 PolarHBondContact O-N 2.64Å; N868-L892 HydrophobicContact CB-CD1 3.97Å; N868-T893 PolarHBondContact ND2-O 2.89Å; N868-T893 VanDerWaalsContact ND2-O 3.1Å; N868-T893 PolarHBondContact OD1-N 3.14Å; N868-T893 PolarHBondContact OD1-OG1 2.82Å |
| 869 | M | 93.1 | Very high | 91.7 | Very high | 57 Ų | 57 | 51.8 Ų | 51.8 | 28% | 0.281 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55 | -48.2 | -165.3 | -178.3 | 175.4 | 59.4 | 0 | 0 | 113.2 | V865 I866 I871 L872 V873 K989 L993 | V865-M869 VanDerWaalsContact O-CA 3.32Å; V865-M869 WeakPolarHBondContact O-CA 3.44Å; V865-M869 PolarHBondContact O-N 3.35Å; I866-M869 WeakPolarHBondContact O-CB 3.44Å; I866-M869 PolarHBondContact O-N 2.94Å; M869-I871 VanDerWaalsContact C-N 3.32Å; M869-I871 PolarHBondContact O-N 3.1Å; M869-L872 PolarHBondContact O-N 2.85Å; M869-V873 VanDerWaalsContact O-CG2 3.3Å; M869-V873 WeakPolarHBondContact O-CG2 3.3Å; M869-V873 PolarHBondContact O-N 3.31Å; M869-K989 HydrophobicContact SD-CD 4.5Å; M869-K989 PolarHBondContact SD-NZ 3.38Å; M869-K989 VanDerWaalsContact SD-NZ 3.37Å; M869-L993 HydrophobicContact CG-CD1 3.82Å |
| 870 | D | 92.2 | Very high | 91 | Very high | 111 Ų | 111 | 54.9 Ų | 54.9 | 59% | 0.594 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.2 | -37.3 | -177.5 | -66.4 | -27 | 0 | 0 | 0 | 112.5 | N868 Q874 | N868-D870 PolarHBondContact O-N 2.7Å; D870-Q874 WeakPolarHBondContact O-CG 3.38Å; D870-Q874 PolarHBondContact O-N 3.12Å |
| 871 | I | 92.8 | Very high | 90.5 | Very high | 20 Ų | 20 | 56.2 Ų | 56.2 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.6 | -45.1 | 179 | -62.1 | 168 | 0 | 0 | 0 | 109.6 | N868 M869 V873 Q874 M875 L888 R891 L892 | N868-I871 PolarHBondContact O-N 3.4Å; N868-I871 VanDerWaalsContact O-N 3.1Å; M869-I871 VanDerWaalsContact C-N 3.32Å; M869-I871 PolarHBondContact O-N 3.1Å; I871-V873 VanDerWaalsContact C-N 3.33Å; I871-V873 PolarHBondContact O-N 3.25Å; I871-Q874 PolarHBondContact O-N 3.38Å; I871-M875 HydrophobicContact CG2-CE 3.91Å; I871-M875 HydrophobicContact CG2-CG 4.37Å; I871-M875 HydrophobicContact CG2-SD 4.22Å; I871-M875 WeakPolarHBondContact O-CG 3.41Å; I871-M875 PolarHBondContact O-N 3.11Å; I871-L888 HydrophobicContact CG2-CB 4.5Å; I871-L888 HydrophobicContact CG2-CD2 4.45Å; I871-R891 HydrophobicContact CD1-CB 3.92Å; I871-R891 WeakPolarHBondContact CD1-O 3.37Å; I871-L892 HydrophobicContact CG2-CB 4.37Å; I871-L892 HydrophobicContact CG2-CD1 4.2Å |
| 872 | L | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 179.9 | -66.6 | 171.3 | 0 | 0 | 0 | 111.9 | V865 N868 M869 M875 K876 L892 L993 V996 Y997 | V865-L872 HydrophobicContact CB-CD1 4.47Å; V865-L872 HydrophobicContact CG1-CD1 4.09Å; N868-L872 HydrophobicContact CB-CD1 3.94Å; N868-L872 HydrophobicContact CB-CG 4.07Å; N868-L872 WeakPolarHBondContact O-CG 3.45Å; N868-L872 PolarHBondContact O-N 2.64Å; M869-L872 PolarHBondContact O-N 2.85Å; L872-M875 PolarHBondContact O-N 3.27Å; L872-K876 WeakPolarHBondContact O-CB 3.32Å; L872-K876 PolarHBondContact O-N 3.12Å; L872-L892 HydrophobicContact CD2-CD1 3.77Å; L872-L892 HydrophobicContact CG-CD1 4.25Å; L872-L993 HydrophobicContact CB-CB 4.3Å; L872-L993 HydrophobicContact CB-CD2 3.83Å; L872-L993 HydrophobicContact CB-CG 4.45Å; L872-L993 HydrophobicContact CD1-CB 4.27Å; L872-V996 HydrophobicContact CD2-CG1 4.25Å; L872-Y997 HydrophobicContact CD1-CD1 4Å; L872-Y997 HydrophobicContact CD1-CG 4.04Å; L872-Y997 HydrophobicContact CD2-CD2 3.99Å; L872-Y997 HydrophobicContact CD2-CG 3.83Å |
| 873 | V | 92.5 | Very high | 89.2 | Confident | 45 Ų | 45 | 66.2 Ų | 66.2 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 173.3 | 171 | 0 | 0 | 0 | 0 | 111.1 | M869 I871 K876 N877 L993 | M869-V873 VanDerWaalsContact O-CG2 3.3Å; M869-V873 WeakPolarHBondContact O-CG2 3.3Å; M869-V873 PolarHBondContact O-N 3.31Å; I871-V873 VanDerWaalsContact C-N 3.33Å; I871-V873 PolarHBondContact O-N 3.25Å; V873-K876 PolarHBondContact O-N 3.43Å; V873-N877 PolarHBondContact O-N 3.02Å; V873-N877 PolarHBondContact O-ND2 3.16Å; V873-L993 HydrophobicContact CG2-CD1 3.85Å; V873-L993 HydrophobicContact CG2-CD2 3.84Å; V873-L993 HydrophobicContact CG2-CG 4.48Å |
| 874 | Q | 90.2 | Very high | 88.6 | Confident | 78 Ų | 78 | 64.5 Ų | 64.5 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 177.2 | -71.9 | 174.2 | 39.9 | 0 | 0 | 111.9 | D870 I871 K876 N877 N878 L888 | D870-Q874 WeakPolarHBondContact O-CG 3.38Å; D870-Q874 PolarHBondContact O-N 3.12Å; I871-Q874 PolarHBondContact O-N 3.38Å; Q874-K876 VanDerWaalsContact C-N 3.33Å; Q874-K876 PolarHBondContact O-N 2.94Å; Q874-N877 PolarHBondContact O-N 2.87Å; Q874-N878 WeakPolarHBondContact O-CB 3.41Å; Q874-N878 PolarHBondContact O-N 3.48Å; Q874-N878 PolarHBondContact O-ND2 3.48Å; Q874-L888 HydrophobicContact CB-CD1 3.86Å; Q874-L888 HydrophobicContact CB-CD2 3.95Å |
| 875 | M | 90 | Very high | 88.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 177.2 | -75 | -177.8 | 167.4 | 0 | 0 | 112.1 | I871 L872 N877 N878 F879 M885 L888 K889 L892 V996 V1000 | I871-M875 HydrophobicContact CG2-CE 3.91Å; I871-M875 HydrophobicContact CG2-CG 4.37Å; I871-M875 HydrophobicContact CG2-SD 4.22Å; I871-M875 WeakPolarHBondContact O-CG 3.41Å; I871-M875 PolarHBondContact O-N 3.11Å; L872-M875 PolarHBondContact O-N 3.27Å; M875-N877 VanDerWaalsContact C-N 3.31Å; M875-N877 PolarHBondContact O-N 3.13Å; M875-N878 PolarHBondContact O-N 3.3Å; M875-F879 PolarHBondContact O-N 2.94Å; M875-M885 HydrophobicContact CB-CE 4.18Å; M875-M885 HydrophobicContact CB-SD 3.88Å; M875-M885 HydrophobicContact CG-CE 4.26Å; M875-M885 HydrophobicContact CG-SD 3.93Å; M875-L888 HydrophobicContact CE-CB 3.63Å; M875-L888 VanDerWaalsContact CE-O 3.26Å; M875-L888 WeakPolarHBondContact CE-O 3.29Å; M875-L888 HydrophobicContact CG-CB 3.77Å; M875-L888 HydrophobicContact CG-CD1 3.95Å; M875-L888 HydrophobicContact CG-CG 4.43Å; M875-K889 VanDerWaalsContact CE-CA 3.45Å; M875-K889 HydrophobicContact CE-CB 4.23Å; M875-K889 VanDerWaalsContact CE-N 3.29Å; M875-L892 HydrophobicContact CE-CB 3.89Å; M875-L892 HydrophobicContact CE-CD2 4.07Å; M875-L892 HydrophobicContact CE-CG 4.42Å; M875-L892 HydrophobicContact SD-CD2 4.27Å; M875-V996 HydrophobicContact CB-CG1 4.37Å; M875-V1000 HydrophobicContact SD-CB 4.31Å; M875-V1000 HydrophobicContact SD-CG1 4.18Å; M875-V1000 HydrophobicContact SD-CG2 3.87Å |
| 876 | K | 88.6 | Confident | 87.5 | Confident | 54 Ų | 54 | 68.5 Ų | 68.5 | 24% | 0.235 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.6 | -34.9 | 176.9 | -178.6 | -170.9 | 163 | -160.5 | 0 | 113 | L872 V873 Q874 F879 R992 V996 | L872-K876 WeakPolarHBondContact O-CB 3.32Å; L872-K876 PolarHBondContact O-N 3.12Å; V873-K876 PolarHBondContact O-N 3.43Å; Q874-K876 VanDerWaalsContact C-N 3.33Å; Q874-K876 PolarHBondContact O-N 2.94Å; K876-F879 WeakPolarHBondContact O-CD1 3.32Å; K876-R992 VanDerWaalsContact CE-NE 3.3Å; K876-R992 VanDerWaalsContact CE-NH2 3.28Å; K876-V996 HydrophobicContact CB-CG1 4.31Å; K876-V996 HydrophobicContact CB-CG2 4Å; K876-V996 HydrophobicContact CD-CG2 4.28Å; K876-V996 HydrophobicContact CG-CG2 4.06Å |
| 877 | N | 87.9 | Confident | 87.1 | Confident | 103 Ų | 103 | 68 Ų | 68 | 55% | 0.551 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -88.3 | -15.7 | -176.7 | -68.4 | -17.2 | 0 | 0 | 0 | 113.5 | V873 Q874 M875 | V873-N877 PolarHBondContact O-N 3.02Å; V873-N877 PolarHBondContact O-ND2 3.16Å; Q874-N877 PolarHBondContact O-N 2.87Å; M875-N877 VanDerWaalsContact C-N 3.31Å; M875-N877 PolarHBondContact O-N 3.13Å |
| 878 | N | 85.5 | Confident | 86.7 | Confident | 33 Ų | 33 | 61.5 Ų | 61.5 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -122.1 | 22.7 | -176.7 | -64.5 | -47.6 | 0 | 0 | 0 | 112.9 | Q874 M875 D880 K881 E884 M885 | Q874-N878 WeakPolarHBondContact O-CB 3.41Å; Q874-N878 PolarHBondContact O-N 3.48Å; Q874-N878 PolarHBondContact O-ND2 3.48Å; M875-N878 PolarHBondContact O-N 3.3Å; N878-D880 PolarHBondContact O-N 3.28Å; N878-K881 HydrophobicContact CB-CD 4.41Å; N878-K881 PolarHBondContact O-N 2.72Å; N878-K881 PolarHBondContact OD1-NZ 3.18Å; N878-E884 WeakPolarHBondContact CB-OE2 3.32Å; N878-E884 PolarHBondContact ND2-OE2 3.12Å; N878-E884 VanDerWaalsContact ND2-OE2 3.15Å; N878-E884 PolarHBondContact OD1-OE2 2.72Å; N878-M885 WeakPolarHBondContact O-CG 3.35Å |
| 879 | F | 81 | Confident | 86.2 | Confident | 76 Ų | 76 | 65.5 Ų | 65.5 | 33% | 0.333 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.5 | -176.7 | 72 | -81.7 | 0 | 0 | 0 | 114 | M875 K876 K881 L1055 L1056 | M875-F879 PolarHBondContact O-N 2.94Å; K876-F879 WeakPolarHBondContact O-CD1 3.32Å; F879-K881 VanDerWaalsContact C-N 3.33Å; F879-L1055 HydrophobicContact CE2-CD2 3.91Å; F879-L1055 HydrophobicContact CE2-CG 4.4Å; F879-L1055 HydrophobicContact CZ-CD2 4.28Å; F879-L1056 HydrophobicContact CB-CD1 3.52Å; F879-L1056 HydrophobicContact CG-CD1 4.23Å |
| 880 | D | 78.8 | Confident | 85.8 | Confident | 111 Ų | 111 | 71.4 Ų | 71.4 | 59% | 0.594 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -6.6 | 174.7 | 62.2 | -32.6 | 0 | 0 | 0 | 113.2 | N878 P882 | N878-D880 PolarHBondContact O-N 3.28Å; D880-P882 WeakPolarHBondContact O-CD 3.47Å |
| 881 | K | 85.2 | Confident | 85.6 | Confident | 86 Ų | 86 | 72.3 Ų | 72.3 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | trans | -113.8 | 98.4 | -179.9 | -60.8 | 178.5 | -172.9 | 167.2 | 0 | 112.2 | N878 F879 E883 E884 M885 | N878-K881 HydrophobicContact CB-CD 4.41Å; N878-K881 PolarHBondContact O-N 2.72Å; N878-K881 PolarHBondContact OD1-NZ 3.18Å; F879-K881 VanDerWaalsContact C-N 3.33Å; K881-E883 PolarHBondContact O-N 3.07Å; K881-E884 HydrophobicContact CB-CB 4.22Å; K881-E884 HydrophobicContact CB-CG 4.38Å; K881-E884 HydrophobicContact CD-CG 4.25Å; K881-E884 VanDerWaalsContact CD-OE1 3.24Å; K881-E884 WeakPolarHBondContact CD-OE1 3.43Å; K881-E884 WeakPolarHBondContact CD-OE2 3.34Å; K881-E884 IonicContact NZ-OE1 2.81Å; K881-E884 PolarHBondContact NZ-OE1 3.18Å; K881-E884 IonicContact NZ-OE2 3.24Å; K881-E884 PolarHBondContact NZ-OE2 3.39Å; K881-E884 PolarHBondContact O-N 2.87Å; K881-M885 PolarHBondContact O-N 3.26Å; K881-M885 VanDerWaalsContact O-N 3.13Å | ||
| 882 | P | 78.6 | Confident | 85.5 | Confident | 71 Ų | 71 | 72.5 Ų | 72.5 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.6 | -40.9 | -173.2 | -25.7 | 34.2 | 0 | 0 | 0 | 114.9 | D880 M885 I886 | D880-P882 WeakPolarHBondContact O-CD 3.47Å; P882-M885 PolarHBondContact O-N 3.09Å; P882-I886 WeakPolarHBondContact O-CG1 3.27Å; P882-I886 PolarHBondContact O-N 2.87Å |
| 883 | E | 80.6 | Confident | 85.4 | Confident | 165 Ų | 165 | 76.8 Ų | 76.8 | 77% | 0.771 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.1 | -40 | -176.7 | -63.2 | -173.5 | 175.8 | 0 | 0 | 112.8 | K881 T887 | K881-E883 PolarHBondContact O-N 3.07Å; E883-T887 PolarHBondContact O-N 3.14Å; E883-T887 PolarHBondContact O-OG1 3.43Å; E883-T887 VanDerWaalsContact O-OG1 3.13Å |
| 884 | E | 81.8 | Confident | 85.2 | Confident | 79 Ų | 79 | 76.1 Ų | 76.1 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 174 | -68.8 | -174.8 | -160.9 | 0 | 0 | 110.5 | N878 K881 I886 T887 L888 | N878-E884 WeakPolarHBondContact CB-OE2 3.32Å; N878-E884 PolarHBondContact ND2-OE2 3.12Å; N878-E884 VanDerWaalsContact ND2-OE2 3.15Å; N878-E884 PolarHBondContact OD1-OE2 2.72Å; K881-E884 HydrophobicContact CB-CB 4.22Å; K881-E884 HydrophobicContact CB-CG 4.38Å; K881-E884 HydrophobicContact CD-CG 4.25Å; K881-E884 VanDerWaalsContact CD-OE1 3.24Å; K881-E884 WeakPolarHBondContact CD-OE1 3.43Å; K881-E884 WeakPolarHBondContact CD-OE2 3.34Å; K881-E884 IonicContact NZ-OE1 2.81Å; K881-E884 PolarHBondContact NZ-OE1 3.18Å; K881-E884 IonicContact NZ-OE2 3.24Å; K881-E884 PolarHBondContact NZ-OE2 3.39Å; K881-E884 PolarHBondContact O-N 2.87Å; E884-I886 PolarHBondContact O-N 3.27Å; E884-T887 PolarHBondContact O-N 3.03Å; E884-L888 WeakPolarHBondContact O-CG 3.39Å; E884-L888 PolarHBondContact O-N 2.83Å |
| 885 | M | 83.1 | Confident | 85.1 | Confident | 10 Ų | 10 | 73 Ų | 73 | 5% | 0.049 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 177.6 | -78.4 | -64 | -73.9 | 0 | 0 | 113.5 | M875 N878 K881 P882 T887 L888 K889 V1000 | M875-M885 HydrophobicContact CB-CE 4.18Å; M875-M885 HydrophobicContact CB-SD 3.88Å; M875-M885 HydrophobicContact CG-CE 4.26Å; M875-M885 HydrophobicContact CG-SD 3.93Å; N878-M885 WeakPolarHBondContact O-CG 3.35Å; K881-M885 PolarHBondContact O-N 3.26Å; K881-M885 VanDerWaalsContact O-N 3.13Å; P882-M885 PolarHBondContact O-N 3.09Å; M885-T887 VanDerWaalsContact C-N 3.29Å; M885-T887 PolarHBondContact O-N 3.36Å; M885-L888 PolarHBondContact O-N 3.03Å; M885-K889 VanDerWaalsContact O-CB 3.25Å; M885-K889 WeakPolarHBondContact O-CB 3.29Å; M885-K889 PolarHBondContact O-N 3.34Å; M885-V1000 HydrophobicContact CE-CG1 3.9Å |
| 886 | I | 81.3 | Confident | 85.1 | Confident | 94 Ų | 94 | 79.4 Ų | 79.4 | 48% | 0.482 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 174.7 | -68.9 | 164.5 | 0 | 0 | 0 | 110.8 | P882 E884 K889 K890 | P882-I886 WeakPolarHBondContact O-CG1 3.27Å; P882-I886 PolarHBondContact O-N 2.87Å; E884-I886 PolarHBondContact O-N 3.27Å; I886-K889 PolarHBondContact O-N 3.45Å; I886-K890 PolarHBondContact O-N 2.92Å |
| 887 | T | 84.6 | Confident | 85.2 | Confident | 86 Ų | 86 | 81.3 Ų | 81.3 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.7 | -44 | 179.8 | -56 | 0 | 0 | 0 | 0 | 111.6 | E883 E884 M885 K889 K890 | E883-T887 PolarHBondContact O-N 3.14Å; E883-T887 PolarHBondContact O-OG1 3.43Å; E883-T887 VanDerWaalsContact O-OG1 3.13Å; E884-T887 PolarHBondContact O-N 3.03Å; M885-T887 VanDerWaalsContact C-N 3.29Å; M885-T887 PolarHBondContact O-N 3.36Å; T887-K889 VanDerWaalsContact C-N 3.34Å; T887-K890 PolarHBondContact O-N 3.42Å |
| 888 | L | 85.9 | Confident | 85.5 | Confident | 8 Ų | 8 | 76.5 Ų | 76.5 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 175.8 | -69 | 169.3 | 0 | 0 | 0 | 111.6 | I871 Q874 M875 E884 M885 K890 R891 L892 | I871-L888 HydrophobicContact CG2-CB 4.5Å; I871-L888 HydrophobicContact CG2-CD2 4.45Å; Q874-L888 HydrophobicContact CB-CD1 3.86Å; Q874-L888 HydrophobicContact CB-CD2 3.95Å; M875-L888 HydrophobicContact CE-CB 3.63Å; M875-L888 VanDerWaalsContact CE-O 3.26Å; M875-L888 WeakPolarHBondContact CE-O 3.29Å; M875-L888 HydrophobicContact CG-CB 3.77Å; M875-L888 HydrophobicContact CG-CD1 3.95Å; M875-L888 HydrophobicContact CG-CG 4.43Å; E884-L888 WeakPolarHBondContact O-CG 3.39Å; E884-L888 PolarHBondContact O-N 2.83Å; M885-L888 PolarHBondContact O-N 3.03Å; L888-K890 VanDerWaalsContact C-N 3.3Å; L888-K890 PolarHBondContact O-N 2.9Å; L888-R891 WeakPolarHBondContact O-CB 3.45Å; L888-R891 PolarHBondContact O-N 2.95Å; L888-L892 PolarHBondContact O-N 3.47Å; L888-L892 VanDerWaalsContact O-N 3.16Å |
| 889 | K | 83.9 | Confident | 85.9 | Confident | 89 Ų | 89 | 75 Ų | 75 | 39% | 0.387 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -35.6 | 179.6 | -169.4 | 174.1 | -176.7 | 179.8 | 0 | 112.9 | M875 M885 I886 T887 R891 L892 | M875-K889 VanDerWaalsContact CE-CA 3.45Å; M875-K889 HydrophobicContact CE-CB 4.23Å; M875-K889 VanDerWaalsContact CE-N 3.29Å; M885-K889 VanDerWaalsContact O-CB 3.25Å; M885-K889 WeakPolarHBondContact O-CB 3.29Å; M885-K889 PolarHBondContact O-N 3.34Å; I886-K889 PolarHBondContact O-N 3.45Å; T887-K889 VanDerWaalsContact C-N 3.34Å; K889-R891 PolarHBondContact O-N 3.44Å; K889-L892 PolarHBondContact O-N 2.95Å |
| 890 | K | 84.3 | Confident | 86.5 | Confident | 180 Ų | 180 | 77.3 Ų | 77.3 | 78% | 0.783 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -67.4 | -22.6 | 174.3 | -69.8 | -178.9 | -179 | -179.8 | 0 | 113.7 | I886 T887 L888 | I886-K890 PolarHBondContact O-N 2.92Å; T887-K890 PolarHBondContact O-N 3.42Å; L888-K890 VanDerWaalsContact C-N 3.3Å; L888-K890 PolarHBondContact O-N 2.9Å |
| 891 | R | 88.8 | Confident | 87.3 | Confident | 131 Ų | 131 | 75.1 Ų | 75.1 | 49% | 0.494 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -92 | -19.6 | -179.9 | -67 | 171.6 | 58.9 | -158.7 | -3.9 | 113.1 | I871 L888 K889 | I871-R891 HydrophobicContact CD1-CB 3.92Å; I871-R891 WeakPolarHBondContact CD1-O 3.37Å; L888-R891 WeakPolarHBondContact O-CB 3.45Å; L888-R891 PolarHBondContact O-N 2.95Å; K889-R891 PolarHBondContact O-N 3.44Å |
| 892 | L | 90.1 | Very high | 87.9 | Confident | 24 Ų | 24 | 71.2 Ų | 71.2 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | trans | -71.2 | 124.7 | 178.9 | -174 | 72.7 | 0 | 0 | 0 | 110 | N868 I871 L872 M875 L888 K889 Y997 V1000 | N868-L892 HydrophobicContact CB-CD1 3.97Å; I871-L892 HydrophobicContact CG2-CB 4.37Å; I871-L892 HydrophobicContact CG2-CD1 4.2Å; L872-L892 HydrophobicContact CD2-CD1 3.77Å; L872-L892 HydrophobicContact CG-CD1 4.25Å; M875-L892 HydrophobicContact CE-CB 3.89Å; M875-L892 HydrophobicContact CE-CD2 4.07Å; M875-L892 HydrophobicContact CE-CG 4.42Å; M875-L892 HydrophobicContact SD-CD2 4.27Å; L888-L892 PolarHBondContact O-N 3.47Å; L888-L892 VanDerWaalsContact O-N 3.16Å; K889-L892 PolarHBondContact O-N 2.95Å; L892-Y997 HydrophobicContact CD1-CD2 4.03Å; L892-Y997 HydrophobicContact CD1-CE2 3.8Å; L892-Y997 HydrophobicContact CD2-CD2 3.91Å; L892-Y997 HydrophobicContact CD2-CE2 3.77Å; L892-Y997 HydrophobicContact CG-CD2 4.3Å; L892-Y997 HydrophobicContact CG-CE2 3.83Å; L892-V1000 HydrophobicContact CD2-CG2 3.6Å | ||
| 893 | T | 90.2 | Very high | 88.7 | Confident | 89 Ų | 89 | 68.5 Ų | 68.5 | 55% | 0.546 | 34% | 0.336 | S | S | . | . | trans | -115.3 | 137.1 | -177.1 | 57 | 0 | 0 | 0 | 0 | 111.4 | N868 Y997 | N868-T893 PolarHBondContact ND2-O 2.89Å; N868-T893 VanDerWaalsContact ND2-O 3.1Å; N868-T893 PolarHBondContact OD1-N 3.14Å; N868-T893 PolarHBondContact OD1-OG1 2.82Å; T893-Y997 PolarHBondContact O-OH 3.45Å | ||
| 894 | G | 89 | Confident | 89.4 | Confident | 31 Ų | 31 | 61.7 Ų | 61.7 | 32% | 0.32 | 31% | 0.305 | S | S | . | . | trans | 90.7 | 11.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | M864 E896 N897 A898 Y997 | M864-G894 WeakPolarHBondContact CE-O 3.42Å; G894-E896 VanDerWaalsContact C-N 3.29Å; G894-E896 PolarHBondContact O-N 3.09Å; G894-N897 WeakPolarHBondContact O-CB 3.41Å; G894-N897 PolarHBondContact O-N 2.75Å; G894-A898 PolarHBondContact O-N 3.3Å; G894-Y997 WeakPolarHBondContact CA-OH 3.36Å; G894-Y997 PolarHBondContact O-OH 2.93Å | ||
| 895 | G | 88 | Confident | 90.1 | Very high | 12 Ų | 12 | 58 Ų | 58 | 12% | 0.124 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.9 | -37.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A898 L899 Y997 S1001 | G895-A898 PolarHBondContact O-N 2.93Å; G895-L899 WeakPolarHBondContact O-CG 3.47Å; G895-L899 PolarHBondContact O-N 2.98Å; G895-Y997 PolarHBondContact N-OH 3.16Å; G895-S1001 WeakPolarHBondContact CA-OG 3.19Å |
| 896 | E | 89.5 | Confident | 90.8 | Very high | 135 Ų | 135 | 57.5 Ų | 57.5 | 63% | 0.631 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 174.9 | -66.4 | 177.6 | -179.5 | 0 | 0 | 112.5 | G894 A898 L899 K900 | G894-E896 VanDerWaalsContact C-N 3.29Å; G894-E896 PolarHBondContact O-N 3.09Å; E896-A898 VanDerWaalsContact C-N 3.34Å; E896-L899 PolarHBondContact O-N 2.69Å; E896-K900 WeakPolarHBondContact O-CB 3.34Å; E896-K900 PolarHBondContact O-N 3.23Å |
| 897 | N | 92.3 | Very high | 91.5 | Very high | 95 Ų | 95 | 53 Ų | 53 | 51% | 0.508 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 176.6 | -73.8 | -25.5 | 0 | 0 | 0 | 111.3 | M864 G894 K900 R901 | M864-N897 HydrophobicContact CE-CB 3.56Å; M864-N897 HydrophobicContact SD-CB 4.41Å; G894-N897 WeakPolarHBondContact O-CB 3.41Å; G894-N897 PolarHBondContact O-N 2.75Å; N897-K900 PolarHBondContact O-N 3.38Å; N897-R901 WeakPolarHBondContact O-CG 3.43Å; N897-R901 PolarHBondContact O-N 2.92Å |
| 898 | A | 93.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L861 M864 G894 G895 E896 R901 M902 Y997 | L861-A898 HydrophobicContact CD2-CB 4.09Å; M864-A898 HydrophobicContact CE-CB 4.11Å; G894-A898 PolarHBondContact O-N 3.3Å; G895-A898 PolarHBondContact O-N 2.93Å; E896-A898 VanDerWaalsContact C-N 3.34Å; A898-R901 PolarHBondContact O-N 2.88Å; A898-M902 WeakPolarHBondContact O-CB 3.27Å; A898-M902 WeakPolarHBondContact O-CG 3.26Å; A898-M902 PolarHBondContact O-N 3.34Å; A898-Y997 HydrophobicContact CB-CD1 4.36Å; A898-Y997 HydrophobicContact CB-CE1 4.05Å; A898-Y997 HydrophobicContact CB-CE2 4.37Å |
| 899 | L | 94.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 174.7 | -70.5 | 170 | 0 | 0 | 0 | 112.5 | G895 E896 M902 T903 V998 S1001 L1002 L1005 L1027 | G895-L899 WeakPolarHBondContact O-CG 3.47Å; G895-L899 PolarHBondContact O-N 2.98Å; E896-L899 PolarHBondContact O-N 2.69Å; L899-M902 PolarHBondContact O-N 2.87Å; L899-T903 WeakPolarHBondContact O-CB 3.08Å; L899-T903 PolarHBondContact O-N 2.94Å; L899-T903 PolarHBondContact O-OG1 3.04Å; L899-V998 HydrophobicContact CD2-CG1 4.31Å; L899-S1001 WeakPolarHBondContact CD1-O 3.43Å; L899-L1002 HydrophobicContact CD2-CD2 3.95Å; L899-L1005 HydrophobicContact CB-CD2 4.4Å; L899-L1005 HydrophobicContact CD1-CD1 4.26Å; L899-L1005 HydrophobicContact CD1-CD2 3.81Å; L899-L1005 HydrophobicContact CD1-CG 3.76Å; L899-L1005 HydrophobicContact CD2-CD1 4.44Å; L899-L1027 HydrophobicContact CD2-CD1 4.31Å |
| 900 | K | 94 | Very high | 93.1 | Very high | 124 Ų | 124 | 45.4 Ų | 45.4 | 54% | 0.539 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 175.9 | -174.1 | 176.1 | -177.9 | 175.5 | 0 | 111.6 | E896 N897 T903 I904 | E896-K900 WeakPolarHBondContact O-CB 3.34Å; E896-K900 PolarHBondContact O-N 3.23Å; N897-K900 PolarHBondContact O-N 3.38Å; K900-T903 WeakPolarHBondContact O-CB 3.39Å; K900-T903 PolarHBondContact O-N 3.41Å; K900-I904 HydrophobicContact CG-CD1 4.44Å; K900-I904 WeakPolarHBondContact O-CG1 3.36Å; K900-I904 PolarHBondContact O-N 3.16Å |
| 901 | R | 95.7 | Very high | 93.7 | Very high | 66 Ų | 66 | 36.9 Ų | 36.9 | 25% | 0.249 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 177.4 | -68.8 | -176.9 | -177.9 | -81 | 12.9 | 112.3 | E860 L861 N897 A898 T903 I904 I905 | E860-R901 IonicContact OE2-CZ 2.79Å; E860-R901 IonicContact OE2-NH2 3.84Å; E860-R901 PolarHBondContact OE2-NH2 3.34Å; L861-R901 HydrophobicContact CD1-CB 4.33Å; L861-R901 HydrophobicContact CD2-CB 3.89Å; L861-R901 HydrophobicContact CG-CB 4.01Å; N897-R901 WeakPolarHBondContact O-CG 3.43Å; N897-R901 PolarHBondContact O-N 2.92Å; A898-R901 PolarHBondContact O-N 2.88Å; R901-T903 VanDerWaalsContact C-N 3.28Å; R901-T903 PolarHBondContact O-N 3.44Å; R901-I904 PolarHBondContact O-N 3.45Å; R901-I905 WeakPolarHBondContact O-CG1 3.23Å; R901-I905 PolarHBondContact O-N 2.95Å |
| 902 | M | 96 | Very high | 94 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.02 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.2 | -35.9 | 172.7 | -77 | -63.4 | -65.8 | 0 | 0 | 112.2 | L861 A898 L899 I905 G906 V998 L1027 A1030 I1031 L1034 | L861-M902 HydrophobicContact CD1-CG 3.93Å; L861-M902 HydrophobicContact CD1-SD 3.55Å; L861-M902 VanDerWaalsContact CD1-SD 3.55Å; L861-M902 HydrophobicContact CD2-CG 4.29Å; A898-M902 WeakPolarHBondContact O-CB 3.27Å; A898-M902 WeakPolarHBondContact O-CG 3.26Å; A898-M902 PolarHBondContact O-N 3.34Å; L899-M902 PolarHBondContact O-N 2.87Å; M902-I905 PolarHBondContact O-N 3.23Å; M902-I905 HydrophobicContact SD-CD1 4.2Å; M902-G906 PolarHBondContact O-N 3.13Å; M902-V998 HydrophobicContact CE-CG2 4.41Å; M902-V998 HydrophobicContact CG-CG2 3.78Å; M902-V998 HydrophobicContact SD-CG2 4.42Å; M902-L1027 HydrophobicContact CB-CD2 3.51Å; M902-A1030 HydrophobicContact CE-CB 3.76Å; M902-A1030 VanDerWaalsContact O-CB 3.23Å; M902-A1030 WeakPolarHBondContact O-CB 3.42Å; M902-I1031 HydrophobicContact CE-CG1 4.08Å; M902-L1034 HydrophobicContact CE-CD2 4.25Å; M902-L1034 HydrophobicContact SD-CD2 3.93Å |
| 903 | T | 95.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 32 Ų | 32 | 8% | 0.08 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.6 | -42.3 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | L899 K900 R901 I905 G906 V907 N1023 | L899-T903 WeakPolarHBondContact O-CB 3.08Å; L899-T903 PolarHBondContact O-N 2.94Å; L899-T903 PolarHBondContact O-OG1 3.04Å; K900-T903 WeakPolarHBondContact O-CB 3.39Å; K900-T903 PolarHBondContact O-N 3.41Å; R901-T903 VanDerWaalsContact C-N 3.28Å; R901-T903 PolarHBondContact O-N 3.44Å; T903-I905 PolarHBondContact O-N 2.93Å; T903-G906 CarbonylContact O-C 3.31Å; T903-G906 WeakPolarHBondContact O-CA 3.34Å; T903-G906 PolarHBondContact O-N 2.59Å; T903-G906 VanDerWaalsContact O-N 3.13Å; T903-V907 WeakPolarHBondContact O-CG2 3.39Å; T903-V907 PolarHBondContact O-N 2.85Å; T903-N1023 HydrophobicContact CG2-CB 3.92Å; T903-N1023 WeakPolarHBondContact CG2-O 3.35Å |
| 904 | I | 96.2 | Very high | 94.4 | Very high | 23 Ų | 23 | 28.8 Ų | 28.8 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 173.8 | -67.3 | 162.9 | 0 | 0 | 0 | 110.8 | Q857 K900 R901 G906 V907 I908 | Q857-I904 HydrophobicContact CG-CG2 4.07Å; K900-I904 HydrophobicContact CG-CD1 4.44Å; K900-I904 WeakPolarHBondContact O-CG1 3.36Å; K900-I904 PolarHBondContact O-N 3.16Å; R901-I904 PolarHBondContact O-N 3.45Å; I904-G906 VanDerWaalsContact C-N 3.29Å; I904-G906 PolarHBondContact O-N 3.46Å; I904-V907 PolarHBondContact O-N 3.03Å; I904-I908 HydrophobicContact CG2-CD1 3.97Å; I904-I908 WeakPolarHBondContact O-CG1 3.12Å; I904-I908 PolarHBondContact O-N 3.26Å |
| 905 | I | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57 | -46.4 | 174.7 | -67.4 | 170.8 | 0 | 0 | 0 | 110.1 | I854 Q857 V858 L861 R901 M902 T903 V907 I908 L909 A1030 L1034 | I854-I905 HydrophobicContact CG1-CG2 4.42Å; I854-I905 HydrophobicContact CG2-CG1 4.25Å; I854-I905 HydrophobicContact CG2-CG2 3.98Å; Q857-I905 HydrophobicContact CB-CD1 3.78Å; Q857-I905 HydrophobicContact CB-CG1 3.64Å; Q857-I905 HydrophobicContact CG-CG1 4.19Å; V858-I905 HydrophobicContact CG2-CD1 3.91Å; L861-I905 HydrophobicContact CD1-CD1 3.68Å; R901-I905 WeakPolarHBondContact O-CG1 3.23Å; R901-I905 PolarHBondContact O-N 2.95Å; M902-I905 PolarHBondContact O-N 3.23Å; M902-I905 HydrophobicContact SD-CD1 4.2Å; T903-I905 PolarHBondContact O-N 2.93Å; I905-V907 PolarHBondContact O-N 2.64Å; I905-I908 PolarHBondContact O-N 3.35Å; I905-L909 HydrophobicContact CG2-CD1 3.77Å; I905-L909 HydrophobicContact CG2-CG 4.35Å; I905-L909 WeakPolarHBondContact O-CB 3.39Å; I905-L909 VanDerWaalsContact O-CG 3.32Å; I905-L909 WeakPolarHBondContact O-CG 3.11Å; I905-L909 PolarHBondContact O-N 3.09Å; I905-A1030 HydrophobicContact CB-CB 4.34Å; I905-A1030 HydrophobicContact CG2-CB 4.08Å; I905-L1034 HydrophobicContact CD1-CD2 4.21Å |
| 906 | G | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.2 | -42 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M902 T903 I904 L909 S910 C1026 | M902-G906 PolarHBondContact O-N 3.13Å; T903-G906 CarbonylContact O-C 3.31Å; T903-G906 WeakPolarHBondContact O-CA 3.34Å; T903-G906 PolarHBondContact O-N 2.59Å; T903-G906 VanDerWaalsContact O-N 3.13Å; I904-G906 VanDerWaalsContact C-N 3.29Å; I904-G906 PolarHBondContact O-N 3.46Å; G906-L909 PolarHBondContact O-N 3.44Å; G906-S910 WeakPolarHBondContact O-CB 3.36Å; G906-S910 PolarHBondContact O-N 3.45Å; G906-S910 PolarHBondContact O-OG 2.83Å; G906-C1026 VanDerWaalsContact C-CB 3.49Å; G906-C1026 WeakPolarHBondContact CA-O 3.36Å |
| 907 | V | 96.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 177.3 | 162.2 | 0 | 0 | 0 | 0 | 110.7 | L792 A795 F809 T903 I904 I905 L909 S910 F911 N1023 C1026 | L792-V907 HydrophobicContact CD2-CG1 4.09Å; A795-V907 HydrophobicContact CB-CG1 3.79Å; F809-V907 HydrophobicContact CE1-CG1 3.88Å; F809-V907 HydrophobicContact CZ-CG1 4.22Å; T903-V907 WeakPolarHBondContact O-CG2 3.39Å; T903-V907 PolarHBondContact O-N 2.85Å; I904-V907 PolarHBondContact O-N 3.03Å; I905-V907 PolarHBondContact O-N 2.64Å; V907-L909 VanDerWaalsContact C-N 3.35Å; V907-L909 PolarHBondContact O-N 3.23Å; V907-S910 PolarHBondContact O-N 2.87Å; V907-F911 PolarHBondContact O-N 2.82Å; V907-N1023 HydrophobicContact CG2-CB 3.63Å; V907-C1026 HydrophobicContact CG2-CB 4.23Å |
| 908 | I | 96.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 19.9 Ų | 19.9 | 4% | 0.041 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.7 | -44 | 178 | -65.4 | 168.6 | 0 | 0 | 0 | 110.6 | L850 H853 I854 I904 I905 F911 R912 | L850-I908 HydrophobicContact CB-CG2 3.75Å; L850-I908 HydrophobicContact CD2-CG2 3.82Å; L850-I908 HydrophobicContact CG-CG2 4.29Å; H853-I908 HydrophobicContact CB-CD1 3.96Å; I854-I908 HydrophobicContact CD1-CB 4.42Å; I854-I908 HydrophobicContact CD1-CG2 3.85Å; I854-I908 HydrophobicContact CG1-CB 4.24Å; I854-I908 HydrophobicContact CG1-CD1 4.3Å; I854-I908 HydrophobicContact CG1-CG2 3.85Å; I904-I908 HydrophobicContact CG2-CD1 3.97Å; I904-I908 WeakPolarHBondContact O-CG1 3.12Å; I904-I908 PolarHBondContact O-N 3.26Å; I905-I908 PolarHBondContact O-N 3.35Å; I908-F911 PolarHBondContact O-N 2.88Å; I908-R912 WeakPolarHBondContact O-CB 3.44Å; I908-R912 PolarHBondContact O-N 2.8Å |
| 909 | L | 95.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67 | -35.8 | 177.6 | -70.9 | 172.3 | 0 | 0 | 0 | 112.7 | M851 I854 I905 G906 V907 R912 S913 L970 A1029 Q1033 | M851-L909 HydrophobicContact CE-CD2 4.32Å; I854-L909 HydrophobicContact CD1-CD2 3.55Å; I854-L909 HydrophobicContact CD1-CG 3.81Å; I905-L909 HydrophobicContact CG2-CD1 3.77Å; I905-L909 HydrophobicContact CG2-CG 4.35Å; I905-L909 WeakPolarHBondContact O-CB 3.39Å; I905-L909 VanDerWaalsContact O-CG 3.32Å; I905-L909 WeakPolarHBondContact O-CG 3.11Å; I905-L909 PolarHBondContact O-N 3.09Å; G906-L909 PolarHBondContact O-N 3.44Å; V907-L909 VanDerWaalsContact C-N 3.35Å; V907-L909 PolarHBondContact O-N 3.23Å; L909-R912 PolarHBondContact O-N 3.03Å; L909-S913 WeakPolarHBondContact O-CB 3.45Å; L909-S913 PolarHBondContact O-N 3.06Å; L909-L970 HydrophobicContact CD2-CD2 4.46Å; L909-A1029 HydrophobicContact CB-CB 4.33Å; L909-Q1033 HydrophobicContact CD1-CB 4.03Å |
| 910 | S | 95.2 | Very high | 96 | Very high | 13 Ų | 13 | 21.8 Ų | 21.8 | 9% | 0.091 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.4 | -46.2 | 175.9 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | G906 V907 R912 S913 M914 | G906-S910 WeakPolarHBondContact O-CB 3.36Å; G906-S910 PolarHBondContact O-N 3.45Å; G906-S910 PolarHBondContact O-OG 2.83Å; V907-S910 PolarHBondContact O-N 2.87Å; S910-R912 PolarHBondContact O-N 3.11Å; S910-S913 WeakPolarHBondContact O-CB 3.3Å; S910-S913 PolarHBondContact O-N 2.99Å; S910-M914 WeakPolarHBondContact O-CG 3.28Å; S910-M914 PolarHBondContact O-N 3.44Å |
| 911 | F | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 172.7 | 177.6 | -98.5 | 0 | 0 | 0 | 112.1 | Y787 L792 F809 L831 L846 L850 V907 I908 S913 M914 A915 | Y787-F911 HydrophobicContact CD1-CE1 4.5Å; Y787-F911 AromaticContact CD1-CE2 3.66Å; Y787-F911 HydrophobicContact CD1-CE2 3.66Å; Y787-F911 AromaticContact CD1-CZ 3.44Å; Y787-F911 HydrophobicContact CD1-CZ 3.44Å; Y787-F911 VanDerWaalsContact CD1-CZ 3.44Å; Y787-F911 HydrophobicContact CD2-CZ 4.28Å; Y787-F911 AromaticContact CE1-CE2 3.87Å; Y787-F911 HydrophobicContact CE1-CE2 3.87Å; Y787-F911 AromaticContact CE1-CZ 3.86Å; Y787-F911 HydrophobicContact CE1-CZ 3.86Å; Y787-F911 HydrophobicContact CG-CE1 4.44Å; Y787-F911 HydrophobicContact CG-CE2 4.37Å; Y787-F911 AromaticContact CG-CZ 3.68Å; Y787-F911 HydrophobicContact CG-CZ 3.68Å; L792-F911 HydrophobicContact CD1-CD1 4Å; L792-F911 HydrophobicContact CD1-CE1 4.42Å; L792-F911 HydrophobicContact CD1-CG 4.36Å; L792-F911 HydrophobicContact CD2-CB 3.85Å; L792-F911 HydrophobicContact CD2-CD1 4.46Å; L792-F911 HydrophobicContact CD2-CD2 4.41Å; L792-F911 HydrophobicContact CD2-CG 3.99Å; F809-F911 HydrophobicContact CD2-CD2 4.25Å; F809-F911 HydrophobicContact CE2-CB 3.75Å; F809-F911 AromaticContact CE2-CD2 3.84Å; F809-F911 HydrophobicContact CE2-CD2 3.84Å; F809-F911 HydrophobicContact CE2-CG 4.3Å; F809-F911 HydrophobicContact CZ-CB 3.89Å; L831-F911 HydrophobicContact CD2-CE2 4.02Å; L831-F911 HydrophobicContact CD2-CZ 4.27Å; L846-F911 HydrophobicContact CD1-CE1 4.48Å; L846-F911 HydrophobicContact CD2-CE1 4.21Å; L850-F911 HydrophobicContact CD1-CD1 3.93Å; L850-F911 HydrophobicContact CD1-CE1 4.21Å; L850-F911 HydrophobicContact CD2-CD1 4.16Å; L850-F911 HydrophobicContact CD2-CE1 4.48Å; V907-F911 PolarHBondContact O-N 2.82Å; I908-F911 PolarHBondContact O-N 2.88Å; F911-S913 VanDerWaalsContact C-N 3.34Å; F911-S913 PolarHBondContact O-N 3.07Å; F911-M914 PolarHBondContact O-N 3.19Å; F911-A915 WeakPolarHBondContact O-CB 3.33Å; F911-A915 PolarHBondContact O-N 3.18Å |
| 912 | R | 95.3 | Very high | 96.2 | Very high | 11 Ų | 11 | 16.2 Ų | 16.2 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 175.4 | 174.8 | 171.6 | 168.1 | 71.4 | -2 | 111.9 | L850 I908 L909 S910 M914 A915 M916 S958 D967 | L850-R912 HydrophobicContact CD1-CB 4.02Å; I908-R912 WeakPolarHBondContact O-CB 3.44Å; I908-R912 PolarHBondContact O-N 2.8Å; L909-R912 PolarHBondContact O-N 3.03Å; S910-R912 PolarHBondContact O-N 3.11Å; R912-M914 VanDerWaalsContact C-N 3.34Å; R912-M914 PolarHBondContact O-N 3.4Å; R912-A915 PolarHBondContact O-N 3.27Å; R912-M916 HydrophobicContact CG-CG 4.17Å; R912-M916 WeakPolarHBondContact O-CB 3.23Å; R912-M916 VanDerWaalsContact O-CG 3.28Å; R912-M916 WeakPolarHBondContact O-CG 3.26Å; R912-M916 PolarHBondContact O-N 3.37Å; R912-S958 PolarHBondContact NH2-OG 2.68Å; R912-D967 IonicContact CZ-OD1 3.67Å; R912-D967 IonicContact CZ-OD2 3.69Å; R912-D967 IonicContact NE-OD2 3.66Å; R912-D967 PolarHBondContact NE-OD2 3.39Å; R912-D967 IonicContact NH2-OD1 3.25Å; R912-D967 PolarHBondContact NH2-OD1 2.86Å; R912-D967 IonicContact NH2-OD2 3.9Å; R912-D967 PolarHBondContact NH2-OD2 3.42Å |
| 913 | S | 94.2 | Very high | 96.2 | Very high | 43 Ų | 43 | 17.1 Ų | 17.1 | 30% | 0.301 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 179.1 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | L909 S910 F911 M916 N917 | L909-S913 WeakPolarHBondContact O-CB 3.45Å; L909-S913 PolarHBondContact O-N 3.06Å; S910-S913 WeakPolarHBondContact O-CB 3.3Å; S910-S913 PolarHBondContact O-N 2.99Å; F911-S913 VanDerWaalsContact C-N 3.34Å; F911-S913 PolarHBondContact O-N 3.07Å; S913-M916 PolarHBondContact O-N 3.15Å; S913-N917 WeakPolarHBondContact O-CB 3.4Å; S913-N917 PolarHBondContact O-N 3.37Å; S913-N917 PolarHBondContact O-ND2 3.34Å |
| 914 | M | 95.6 | Very high | 96.2 | Very high | 21 Ų | 21 | 21.5 Ų | 21.5 | 10% | 0.103 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.6 | -47.5 | 175.5 | -66.5 | 165.8 | 63.5 | 0 | 0 | 112.2 | H802 Q807 F809 S826 L831 S910 F911 R912 M916 N917 C918 | H802-M914 PolarHBondContact NE2-SD 3.37Å; H802-M914 VanDerWaalsContact NE2-SD 3.44Å; Q807-M914 VanDerWaalsContact C-CE 3.48Å; Q807-M914 WeakPolarHBondContact O-CE 3.41Å; F809-M914 HydrophobicContact CD2-CE 4.33Å; F809-M914 HydrophobicContact CD2-SD 4.2Å; F809-M914 HydrophobicContact CE2-CE 4.48Å; F809-M914 HydrophobicContact CE2-SD 3.8Å; S826-M914 VanDerWaalsContact O-CE 3.3Å; S826-M914 WeakPolarHBondContact O-CE 3.21Å; L831-M914 HydrophobicContact CD1-CB 3.72Å; L831-M914 HydrophobicContact CD1-CE 3.87Å; S910-M914 WeakPolarHBondContact O-CG 3.28Å; S910-M914 PolarHBondContact O-N 3.44Å; F911-M914 PolarHBondContact O-N 3.19Å; R912-M914 VanDerWaalsContact C-N 3.34Å; R912-M914 PolarHBondContact O-N 3.4Å; M914-M916 PolarHBondContact O-N 2.89Å; M914-N917 PolarHBondContact O-N 3.01Å; M914-C918 PolarHBondContact O-N 3.04Å; M914-C918 PolarHBondContact O-SG 3.04Å |
| 915 | A | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | M843 F911 R912 C918 L919 | M843-A915 HydrophobicContact CE-CB 3.68Å; M843-A915 WeakPolarHBondContact CE-O 3.46Å; F911-A915 WeakPolarHBondContact O-CB 3.33Å; F911-A915 PolarHBondContact O-N 3.18Å; R912-A915 PolarHBondContact O-N 3.27Å; A915-C918 PolarHBondContact O-N 3.41Å; A915-L919 PolarHBondContact O-N 3.43Å |
| 916 | M | 95.7 | Very high | 96 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 10% | 0.099 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.2 | -39 | 178.1 | -67.2 | -60.1 | 124.4 | 0 | 0 | 112.4 | M843 R912 S913 M914 C918 L919 K920 G961 | M843-M916 HydrophobicContact CB-CE 4.02Å; M843-M916 HydrophobicContact CE-CE 4.35Å; R912-M916 HydrophobicContact CG-CG 4.17Å; R912-M916 WeakPolarHBondContact O-CB 3.23Å; R912-M916 VanDerWaalsContact O-CG 3.28Å; R912-M916 WeakPolarHBondContact O-CG 3.26Å; R912-M916 PolarHBondContact O-N 3.37Å; S913-M916 PolarHBondContact O-N 3.15Å; M914-M916 PolarHBondContact O-N 2.89Å; M916-C918 VanDerWaalsContact C-N 3.3Å; M916-C918 PolarHBondContact O-N 2.95Å; M916-L919 WeakPolarHBondContact O-CB 3.26Å; M916-L919 PolarHBondContact O-N 3.08Å; M916-L919 HydrophobicContact SD-CD2 4.19Å; M916-K920 PolarHBondContact O-N 3.1Å; M916-G961 CarbonylContact C-O 3.53Å; M916-G961 VanDerWaalsContact O-CA 3.29Å; M916-G961 WeakPolarHBondContact O-CA 3.48Å |
| 917 | N | 95.4 | Very high | 96 | Very high | 58 Ų | 58 | 34.7 Ų | 34.7 | 31% | 0.31 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 173.9 | -75.9 | -36 | 0 | 0 | 0 | 111.6 | S913 M914 K920 D921 | S913-N917 WeakPolarHBondContact O-CB 3.4Å; S913-N917 PolarHBondContact O-N 3.37Å; S913-N917 PolarHBondContact O-ND2 3.34Å; M914-N917 PolarHBondContact O-N 3.01Å; N917-K920 WeakPolarHBondContact O-CB 3.32Å; N917-K920 PolarHBondContact O-N 3.18Å; N917-D921 PolarHBondContact O-N 3.49Å |
| 918 | C | 97.1 | Very high | 95.9 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -40.8 | 174.9 | -65.5 | 0 | 0 | 0 | 0 | 111.9 | L831 Q832 M914 A915 M916 K920 D921 V922 | L831-C918 HydrophobicContact CB-CB 3.94Å; L831-C918 VanDerWaalsContact CB-SG 3.56Å; Q832-C918 HydrophobicContact CB-CB 4.5Å; Q832-C918 HydrophobicContact CG-CB 3.76Å; M914-C918 PolarHBondContact O-N 3.04Å; M914-C918 PolarHBondContact O-SG 3.04Å; A915-C918 PolarHBondContact O-N 3.41Å; M916-C918 VanDerWaalsContact C-N 3.3Å; M916-C918 PolarHBondContact O-N 2.95Å; C918-K920 VanDerWaalsContact C-N 3.34Å; C918-K920 PolarHBondContact O-N 3.46Å; C918-D921 PolarHBondContact O-N 3.09Å; C918-V922 WeakPolarHBondContact O-CG2 3.15Å; C918-V922 PolarHBondContact O-N 3.41Å |
| 919 | L | 97.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.7 | -44.6 | 173.3 | 177.2 | 63.5 | 0 | 0 | 0 | 111.8 | A835 P840 M843 A915 M916 D921 V922 L923 | A835-L919 HydrophobicContact CB-CB 4.27Å; A835-L919 HydrophobicContact CB-CD1 4.24Å; P840-L919 HydrophobicContact CG-CD1 4.48Å; M843-L919 HydrophobicContact CB-CD2 3.85Å; M843-L919 HydrophobicContact CE-CB 4.12Å; M843-L919 HydrophobicContact CG-CD1 4.19Å; M843-L919 HydrophobicContact CG-CD2 4.19Å; A915-L919 PolarHBondContact O-N 3.43Å; M916-L919 WeakPolarHBondContact O-CB 3.26Å; M916-L919 PolarHBondContact O-N 3.08Å; M916-L919 HydrophobicContact SD-CD2 4.19Å; L919-D921 VanDerWaalsContact C-N 3.31Å; L919-D921 PolarHBondContact O-N 2.84Å; L919-V922 PolarHBondContact O-N 2.84Å; L919-L923 HydrophobicContact CD1-CD1 3.91Å; L919-L923 HydrophobicContact CD1-CD2 4.46Å; L919-L923 HydrophobicContact CD1-CG 3.9Å; L919-L923 HydrophobicContact CD2-CD1 4.49Å; L919-L923 HydrophobicContact CG-CD1 3.91Å; L919-L923 HydrophobicContact CG-CG 4.27Å; L919-L923 WeakPolarHBondContact O-CB 3.16Å; L919-L923 WeakPolarHBondContact O-CG 3.35Å; L919-L923 PolarHBondContact O-N 3.38Å |
| 920 | K | 97 | Very high | 95.7 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56 | -46.8 | 176.7 | -175.8 | -161.2 | 75.4 | -164.7 | 0 | 111.3 | M916 N917 C918 L923 R924 M931 A960 L962 | M916-K920 PolarHBondContact O-N 3.1Å; N917-K920 WeakPolarHBondContact O-CB 3.32Å; N917-K920 PolarHBondContact O-N 3.18Å; C918-K920 VanDerWaalsContact C-N 3.34Å; C918-K920 PolarHBondContact O-N 3.46Å; K920-L923 PolarHBondContact O-N 3.43Å; K920-R924 WeakPolarHBondContact O-CB 3.28Å; K920-R924 VanDerWaalsContact O-CG 3.3Å; K920-R924 WeakPolarHBondContact O-CG 3.35Å; K920-R924 PolarHBondContact O-N 2.76Å; K920-M931 HydrophobicContact CG-CE 3.97Å; K920-A960 WeakPolarHBondContact CA-O 3.26Å; K920-L962 HydrophobicContact CD-CD2 3.8Å; K920-L962 HydrophobicContact CG-CD2 3.87Å |
| 921 | D | 96.6 | Very high | 95.7 | Very high | 63 Ų | 63 | 52.3 Ų | 52.3 | 34% | 0.337 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | -178.3 | -67.9 | -15.4 | 0 | 0 | 0 | 111.7 | N917 C918 L919 R924 K925 | N917-D921 PolarHBondContact O-N 3.49Å; C918-D921 PolarHBondContact O-N 3.09Å; L919-D921 VanDerWaalsContact C-N 3.31Å; L919-D921 PolarHBondContact O-N 2.84Å; D921-R924 PolarHBondContact O-N 3.3Å; D921-K925 PolarHBondContact O-N 2.95Å |
| 922 | V | 97.2 | Very high | 95.5 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 173 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | Q832 A835 E836 C918 L919 K925 H926 | Q832-V922 HydrophobicContact CB-CG2 4.14Å; Q832-V922 HydrophobicContact CG-CG2 4.31Å; A835-V922 HydrophobicContact CB-CB 4.44Å; A835-V922 HydrophobicContact CB-CG2 4.07Å; E836-V922 HydrophobicContact CB-CG1 4.5Å; E836-V922 HydrophobicContact CG-CB 4.45Å; E836-V922 HydrophobicContact CG-CG1 3.62Å; E836-V922 HydrophobicContact CG-CG2 3.9Å; C918-V922 WeakPolarHBondContact O-CG2 3.15Å; C918-V922 PolarHBondContact O-N 3.41Å; L919-V922 PolarHBondContact O-N 2.84Å; V922-K925 WeakPolarHBondContact O-CB 3.31Å; V922-K925 PolarHBondContact O-N 3.3Å; V922-H926 PolarHBondContact O-CD2 3.38Å; V922-H926 VanDerWaalsContact O-CD2 3.31Å; V922-H926 PolarHBondContact O-N 2.88Å |
| 923 | L | 96.6 | Very high | 95.5 | Very high | 23 Ų | 23 | 58.4 Ų | 58.4 | 12% | 0.12 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.9 | -33.4 | -179.9 | -68.2 | 178.6 | 0 | 0 | 0 | 113 | P840 L919 K920 K925 H926 C927 M931 A960 | P840-L923 HydrophobicContact CG-CD1 4.15Å; P840-L923 HydrophobicContact CG-CD2 3.89Å; L919-L923 HydrophobicContact CD1-CD1 3.91Å; L919-L923 HydrophobicContact CD1-CD2 4.46Å; L919-L923 HydrophobicContact CD1-CG 3.9Å; L919-L923 HydrophobicContact CD2-CD1 4.49Å; L919-L923 HydrophobicContact CG-CD1 3.91Å; L919-L923 HydrophobicContact CG-CG 4.27Å; L919-L923 WeakPolarHBondContact O-CB 3.16Å; L919-L923 WeakPolarHBondContact O-CG 3.35Å; L919-L923 PolarHBondContact O-N 3.38Å; K920-L923 PolarHBondContact O-N 3.43Å; L923-K925 PolarHBondContact O-N 3.48Å; L923-H926 PolarHBondContact O-N 2.87Å; L923-C927 CarbonylContact O-C 3.58Å; L923-C927 VanDerWaalsContact O-CA 3.32Å; L923-C927 WeakPolarHBondContact O-CA 3.31Å; L923-C927 PolarHBondContact O-N 3.49Å; L923-M931 HydrophobicContact CB-CE 4.3Å; L923-M931 HydrophobicContact CB-CG 4.06Å; L923-M931 HydrophobicContact CB-SD 3.57Å; L923-M931 VanDerWaalsContact CB-SD 3.57Å; L923-M931 HydrophobicContact CD1-SD 4.25Å; L923-M931 WeakPolarHBondContact O-CG 3.47Å; L923-A960 HydrophobicContact CD1-CB 4.31Å |
| 924 | R | 95.9 | Very high | 95.5 | Very high | 104 Ų | 104 | 57.8 Ų | 57.8 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.7 | -36.7 | 171.3 | -80.4 | 174.2 | 170.9 | -169.4 | -8.2 | 111.9 | K920 D921 P928 M931 E935 | K920-R924 WeakPolarHBondContact O-CB 3.28Å; K920-R924 VanDerWaalsContact O-CG 3.3Å; K920-R924 WeakPolarHBondContact O-CG 3.35Å; K920-R924 PolarHBondContact O-N 2.76Å; D921-R924 PolarHBondContact O-N 3.3Å; R924-P928 WeakPolarHBondContact O-CB 3.46Å; R924-M931 HydrophobicContact CG-CB 4.23Å; R924-M931 HydrophobicContact CG-CE 4.05Å; R924-M931 HydrophobicContact CG-CG 4.1Å; R924-E935 IonicContact CZ-OE1 3.01Å; R924-E935 IonicContact NE-OE1 2.69Å; R924-E935 PolarHBondContact NE-OE1 3.39Å; R924-E935 IonicContact NH2-OE1 3.8Å; R924-E935 PolarHBondContact NH2-OE1 2.9Å; R924-E935 IonicContact NH2-OE2 3.22Å; R924-E935 PolarHBondContact NH2-OE2 3.38Å |
| 925 | K | 95.2 | Very high | 95.4 | Very high | 141 Ų | 141 | 58.5 Ų | 58.5 | 61% | 0.613 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -73 | -44.7 | 176.7 | -179.2 | -174.5 | 171.4 | -165.4 | 0 | 112.5 | E836 D921 V922 L923 | E836-K925 IonicContact OE1-NZ 3.23Å; E836-K925 PolarHBondContact OE1-NZ 3.42Å; D921-K925 PolarHBondContact O-N 2.95Å; V922-K925 WeakPolarHBondContact O-CB 3.31Å; V922-K925 PolarHBondContact O-N 3.3Å; L923-K925 PolarHBondContact O-N 3.48Å |
| 926 | H | 94.4 | Very high | 95.2 | Very high | 112 Ų | 112 | 61.3 Ų | 61.3 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -87.6 | -33.7 | -173.5 | -78.1 | -80.1 | 0 | 0 | 0 | 114.4 | E836 V922 L923 P928 | E836-H926 IonicContact OE1-NE2 3.59Å; V922-H926 PolarHBondContact O-CD2 3.38Å; V922-H926 VanDerWaalsContact O-CD2 3.31Å; V922-H926 PolarHBondContact O-N 2.88Å; L923-H926 PolarHBondContact O-N 2.87Å; H926-P928 VanDerWaalsContact C-CD 3.46Å |
| 927 | C | 94.4 | Very high | 94.9 | Very high | 47 Ų | 47 | 64.3 Ų | 64.3 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | trans | -132 | 50.8 | -172 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | L923 Y929 L930 M931 | L923-C927 CarbonylContact O-C 3.58Å; L923-C927 VanDerWaalsContact O-CA 3.32Å; L923-C927 WeakPolarHBondContact O-CA 3.31Å; L923-C927 PolarHBondContact O-N 3.49Å; C927-Y929 PolarHBondContact O-N 3.29Å; C927-Y929 VanDerWaalsContact O-N 3.15Å; C927-L930 HydrophobicContact CB-CB 4.28Å; C927-L930 HydrophobicContact CB-CD1 4.23Å; C927-L930 PolarHBondContact O-N 2.78Å; C927-M931 WeakPolarHBondContact O-CG 3.44Å; C927-M931 PolarHBondContact O-N 2.97Å; C927-M931 VanDerWaalsContact O-N 3.08Å | ||
| 928 | P | 94.3 | Very high | 94.7 | Very high | 63 Ų | 63 | 64.2 Ų | 64.2 | 41% | 0.409 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58 | -35.3 | -173 | 22.5 | -33.8 | 0 | 0 | 0 | 113.5 | R924 H926 L930 M931 A932 | R924-P928 WeakPolarHBondContact O-CB 3.46Å; H926-P928 VanDerWaalsContact C-CD 3.46Å; P928-L930 VanDerWaalsContact C-N 3.3Å; P928-L930 PolarHBondContact O-N 2.97Å; P928-M931 PolarHBondContact O-N 3.09Å; P928-A932 PolarHBondContact O-N 3.27Å |
| 929 | Y | 94.9 | Very high | 94.3 | Very high | 210 Ų | 210 | 69 Ų | 69 | 82% | 0.824 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -72.7 | -18.8 | 179.8 | -60.4 | -72 | 0 | 0 | 0 | 114.1 | C927 P933 | C927-Y929 PolarHBondContact O-N 3.29Å; C927-Y929 VanDerWaalsContact O-N 3.15Å; Y929-P933 WeakPolarHBondContact O-CD 3.21Å; Y929-P933 WeakPolarHBondContact O-CG 3.32Å |
| 930 | L | 95.2 | Very high | 93.7 | Very high | 116 Ų | 116 | 76.9 Ų | 76.9 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -88.6 | -37 | 170.7 | -65.3 | 178.3 | 0 | 0 | 0 | 110.9 | C927 P928 P933 I934 | C927-L930 HydrophobicContact CB-CB 4.28Å; C927-L930 HydrophobicContact CB-CD1 4.23Å; C927-L930 PolarHBondContact O-N 2.78Å; P928-L930 VanDerWaalsContact C-N 3.3Å; P928-L930 PolarHBondContact O-N 2.97Å; L930-P933 WeakPolarHBondContact O-CD 3.42Å; L930-I934 VanDerWaalsContact O-CD1 3.3Å; L930-I934 WeakPolarHBondContact O-CD1 3.41Å; L930-I934 WeakPolarHBondContact O-CG1 3.41Å; L930-I934 PolarHBondContact O-N 3.48Å |
| 931 | M | 94.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 76.9 Ų | 76.9 | 3% | 0.03 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.5 | -45.9 | -177.9 | -70.2 | -57.5 | -68.2 | 0 | 0 | 113 | K920 L923 R924 C927 P928 I934 E935 A960 L962 | K920-M931 HydrophobicContact CG-CE 3.97Å; L923-M931 HydrophobicContact CB-CE 4.3Å; L923-M931 HydrophobicContact CB-CG 4.06Å; L923-M931 HydrophobicContact CB-SD 3.57Å; L923-M931 VanDerWaalsContact CB-SD 3.57Å; L923-M931 HydrophobicContact CD1-SD 4.25Å; L923-M931 WeakPolarHBondContact O-CG 3.47Å; R924-M931 HydrophobicContact CG-CB 4.23Å; R924-M931 HydrophobicContact CG-CE 4.05Å; R924-M931 HydrophobicContact CG-CG 4.1Å; C927-M931 WeakPolarHBondContact O-CG 3.44Å; C927-M931 PolarHBondContact O-N 2.97Å; C927-M931 VanDerWaalsContact O-N 3.08Å; P928-M931 PolarHBondContact O-N 3.09Å; M931-I934 PolarHBondContact O-N 3.05Å; M931-I934 VanDerWaalsContact O-N 3.16Å; M931-E935 WeakPolarHBondContact O-CG 3.49Å; M931-E935 PolarHBondContact O-N 3.49Å; M931-A960 HydrophobicContact CE-CB 4.08Å; M931-A960 WeakPolarHBondContact CE-O 3.25Å; M931-A960 HydrophobicContact SD-CB 3.84Å; M931-L962 HydrophobicContact CE-CD2 4.27Å; M931-L962 HydrophobicContact CE-CG 4.4Å |
| 932 | A | 92.3 | Very high | 92.1 | Very high | 59 Ų | 59 | 76.8 Ų | 76.8 | 49% | 0.488 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P928 I934 E935 C936 | P928-A932 PolarHBondContact O-N 3.27Å; A932-I934 PolarHBondContact O-N 3.48Å; A932-E935 PolarHBondContact O-N 2.94Å; A932-C936 VanDerWaalsContact O-CB 3.26Å; A932-C936 WeakPolarHBondContact O-CB 3.14Å; A932-C936 PolarHBondContact O-N 2.85Å |
| 933 | P | 94.6 | Very high | 90.6 | Very high | 79 Ų | 79 | 85.2 Ų | 85.2 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 172.4 | -26.2 | 35.3 | 0 | 0 | 0 | 114.3 | Y929 L930 C936 L937 | Y929-P933 WeakPolarHBondContact O-CD 3.21Å; Y929-P933 WeakPolarHBondContact O-CG 3.32Å; L930-P933 WeakPolarHBondContact O-CD 3.42Å; P933-C936 WeakPolarHBondContact O-CB 3.48Å; P933-C936 PolarHBondContact O-N 3Å; P933-L937 WeakPolarHBondContact O-CB 3.43Å; P933-L937 PolarHBondContact O-N 3.31Å |
| 934 | I | 94.8 | Very high | 89.2 | Confident | 30 Ų | 30 | 93.2 Ų | 93.2 | 15% | 0.154 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.9 | -43.1 | 179.5 | -64.3 | 167.3 | 0 | 0 | 0 | 110.6 | L930 M931 A932 L937 R938 L956 A957 A960 L962 | L930-I934 VanDerWaalsContact O-CD1 3.3Å; L930-I934 WeakPolarHBondContact O-CD1 3.41Å; L930-I934 WeakPolarHBondContact O-CG1 3.41Å; L930-I934 PolarHBondContact O-N 3.48Å; M931-I934 PolarHBondContact O-N 3.05Å; M931-I934 VanDerWaalsContact O-N 3.16Å; A932-I934 PolarHBondContact O-N 3.48Å; I934-L937 PolarHBondContact O-N 2.91Å; I934-R938 PolarHBondContact O-N 3.17Å; I934-L956 HydrophobicContact CD1-CD1 4.43Å; I934-L956 HydrophobicContact CG1-CD2 4.29Å; I934-L956 HydrophobicContact CG1-CG 4.35Å; I934-L956 HydrophobicContact CG2-CG 4.28Å; I934-A957 HydrophobicContact CG2-CB 4.29Å; I934-A960 HydrophobicContact CD1-CB 4.2Å; I934-A960 HydrophobicContact CG2-CB 4.17Å; I934-L962 HydrophobicContact CG2-CD1 3.73Å |
| 935 | E | 93.6 | Very high | 88.4 | Confident | 37 Ų | 37 | 90.6 Ų | 90.6 | 17% | 0.173 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 174.5 | -73.3 | 177.2 | -172.3 | 0 | 0 | 111.1 | R924 M931 A932 L937 R938 D939 L962 | R924-E935 IonicContact CZ-OE1 3.01Å; R924-E935 IonicContact NE-OE1 2.69Å; R924-E935 PolarHBondContact NE-OE1 3.39Å; R924-E935 IonicContact NH2-OE1 3.8Å; R924-E935 PolarHBondContact NH2-OE1 2.9Å; R924-E935 IonicContact NH2-OE2 3.22Å; R924-E935 PolarHBondContact NH2-OE2 3.38Å; M931-E935 WeakPolarHBondContact O-CG 3.49Å; M931-E935 PolarHBondContact O-N 3.49Å; A932-E935 PolarHBondContact O-N 2.94Å; E935-L937 VanDerWaalsContact C-N 3.34Å; E935-L937 PolarHBondContact O-N 3.3Å; E935-R938 PolarHBondContact O-N 2.96Å; E935-D939 PolarHBondContact O-N 3.39Å; E935-L962 HydrophobicContact CB-CD1 4.47Å; E935-L962 HydrophobicContact CG-CD1 3.69Å; E935-L962 HydrophobicContact CG-CD2 3.61Å; E935-L962 HydrophobicContact CG-CG 4.3Å |
| 936 | C | 91.9 | Very high | 88 | Confident | 59 Ų | 59 | 88.3 Ų | 88.3 | 40% | 0.399 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58 | -46.1 | 176.6 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | A932 P933 R938 D939 F940 | A932-C936 VanDerWaalsContact O-CB 3.26Å; A932-C936 WeakPolarHBondContact O-CB 3.14Å; A932-C936 PolarHBondContact O-N 2.85Å; P933-C936 WeakPolarHBondContact O-CB 3.48Å; P933-C936 PolarHBondContact O-N 3Å; C936-R938 VanDerWaalsContact C-N 3.35Å; C936-R938 PolarHBondContact O-N 3.27Å; C936-D939 PolarHBondContact O-N 2.89Å; C936-F940 WeakPolarHBondContact O-CD2 3.35Å; C936-F940 PolarHBondContact O-N 3.13Å; C936-F940 VanDerWaalsContact O-N 3.08Å; C936-F940 WeakPolarHBondContact SG-CE2 3.48Å |
| 937 | L | 90.4 | Very high | 87.5 | Confident | 82 Ų | 82 | 86 Ų | 86 | 43% | 0.429 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 179.4 | -175.1 | 66.9 | 0 | 0 | 0 | 112.1 | P933 I934 E935 V953 L956 | P933-L937 WeakPolarHBondContact O-CB 3.43Å; P933-L937 PolarHBondContact O-N 3.31Å; I934-L937 PolarHBondContact O-N 2.91Å; E935-L937 VanDerWaalsContact C-N 3.34Å; E935-L937 PolarHBondContact O-N 3.3Å; L937-V953 HydrophobicContact CB-CG1 4.48Å; L937-V953 HydrophobicContact CD2-CG1 3.92Å; L937-V953 HydrophobicContact CD2-CG2 4.23Å; L937-V953 HydrophobicContact CG-CG1 3.71Å; L937-V953 HydrophobicContact CG-CG2 4.28Å; L937-L956 HydrophobicContact CD2-CD2 4.22Å |
| 938 | R | 90.4 | Very high | 87.1 | Confident | 57 Ų | 57 | 91.3 Ų | 91.3 | 22% | 0.215 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 174.5 | -179.8 | -156.6 | 63.8 | -170.2 | -8.9 | 111.2 | I934 E935 C936 F940 I941 F954 A957 K963 | I934-R938 PolarHBondContact O-N 3.17Å; E935-R938 PolarHBondContact O-N 2.96Å; C936-R938 VanDerWaalsContact C-N 3.35Å; C936-R938 PolarHBondContact O-N 3.27Å; R938-F940 VanDerWaalsContact C-N 3.25Å; R938-F940 PolarHBondContact O-N 3.25Å; R938-I941 WeakPolarHBondContact O-CG1 3.27Å; R938-I941 PolarHBondContact O-N 3.02Å; R938-F954 HydrophobicContact CG-CD1 4.37Å; R938-F954 HydrophobicContact CG-CE1 4.07Å; R938-A957 HydrophobicContact CB-CB 4.27Å; R938-A957 HydrophobicContact CG-CB 4.33Å; R938-K963 PolarHBondContact NH1-O 3.03Å |
| 939 | D | 88.1 | Confident | 86.8 | Confident | 108 Ų | 108 | 92 Ų | 92 | 58% | 0.578 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71.2 | -20.6 | -175.7 | -64.4 | -9.2 | 0 | 0 | 0 | 112.9 | E935 C936 I941 | E935-D939 PolarHBondContact O-N 3.39Å; C936-D939 PolarHBondContact O-N 2.89Å; D939-I941 VanDerWaalsContact C-N 3.33Å |
| 940 | F | 86.2 | Confident | 86.5 | Confident | 167 Ų | 167 | 82.6 Ų | 82.6 | 73% | 0.732 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -8.4 | 175.1 | -88.3 | -63.2 | 0 | 0 | 0 | 114.6 | C936 R938 S942 | C936-F940 WeakPolarHBondContact O-CD2 3.35Å; C936-F940 PolarHBondContact O-N 3.13Å; C936-F940 VanDerWaalsContact O-N 3.08Å; C936-F940 WeakPolarHBondContact SG-CE2 3.48Å; R938-F940 VanDerWaalsContact C-N 3.25Å; R938-F940 PolarHBondContact O-N 3.25Å; F940-S942 PolarHBondContact O-N 2.97Å |
| 941 | I | 83.5 | Confident | 86.3 | Confident | 41 Ų | 41 | 78.8 Ų | 78.8 | 21% | 0.21 | 42% | 0.418 | C | S | . | . | trans | -70.7 | 130.6 | 178.5 | -58 | 179.4 | 0 | 0 | 0 | 109.7 | R938 D939 T945 T950 V953 F954 | R938-I941 WeakPolarHBondContact O-CG1 3.27Å; R938-I941 PolarHBondContact O-N 3.02Å; D939-I941 VanDerWaalsContact C-N 3.33Å; I941-T945 HydrophobicContact CG2-CG2 4.45Å; I941-T950 HydrophobicContact CD1-CG2 4.31Å; I941-T950 HydrophobicContact CG2-CG2 3.95Å; I941-V953 HydrophobicContact CD1-CB 3.6Å; I941-V953 HydrophobicContact CD1-CG1 3.52Å; I941-V953 HydrophobicContact CD1-CG2 4.28Å; I941-V953 HydrophobicContact CG1-CB 4.45Å; I941-V953 HydrophobicContact CG1-CG1 4.19Å; I941-F954 HydrophobicContact CD1-CD1 3.73Å; I941-F954 HydrophobicContact CD1-CE1 3.51Å; I941-F954 HydrophobicContact CD1-CZ 4.33Å | ||
| 942 | S | 74.9 | Confident | 86.1 | Confident | 61 Ų | 61 | 82.2 Ų | 82.2 | 43% | 0.427 | 44% | 0.442 | S | S | . | . | trans | -106.9 | 161.6 | 175.1 | 71.5 | 0 | 0 | 0 | 0 | 111.2 | F940 E944 T945 | F940-S942 PolarHBondContact O-N 2.97Å; S942-E944 PolarHBondContact O-N 3.26Å; S942-E944 VanDerWaalsContact O-N 3.09Å; S942-E944 PolarHBondContact OG-N 3.49Å; S942-T945 PolarHBondContact N-OG1 2.9Å; S942-T945 VanDerWaalsContact O-CB 3.3Å; S942-T945 WeakPolarHBondContact O-CB 3.46Å; S942-T945 PolarHBondContact O-N 3.35Å; S942-T945 PolarHBondContact O-OG1 2.86Å; S942-T945 PolarHBondContact OG-OG1 3.32Å | ||
| 943 | L | 66.5 | Low | 86.1 | Confident | 187 Ų | 187 | 80.4 Ų | 80.4 | 98% | 0.979 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17 | 173.3 | -73.5 | 159 | 0 | 0 | 0 | 113.4 | ||
| 944 | E | 67.8 | Low | 86.1 | Confident | 191 Ų | 191 | 77.2 Ų | 77.2 | 89% | 0.893 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -7.3 | 178.2 | -60.9 | -177.2 | 177.5 | 0 | 0 | 113.1 | S942 | S942-E944 PolarHBondContact O-N 3.26Å; S942-E944 VanDerWaalsContact O-N 3.09Å; S942-E944 PolarHBondContact OG-N 3.49Å |
| 945 | T | 79.1 | Confident | 86 | Confident | 49 Ų | 49 | 80.6 Ų | 80.6 | 30% | 0.301 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -73.8 | 137.5 | -178.7 | -54.4 | 0 | 0 | 0 | 0 | 111 | I941 S942 I947 V949 | I941-T945 HydrophobicContact CG2-CG2 4.45Å; S942-T945 PolarHBondContact N-OG1 2.9Å; S942-T945 VanDerWaalsContact O-CB 3.3Å; S942-T945 WeakPolarHBondContact O-CB 3.46Å; S942-T945 PolarHBondContact O-N 3.35Å; S942-T945 PolarHBondContact O-OG1 2.86Å; S942-T945 PolarHBondContact OG-OG1 3.32Å; T945-I947 PolarHBondContact O-N 2.87Å; T945-V949 HydrophobicContact CG2-CB 4.25Å; T945-V949 HydrophobicContact CG2-CG1 4.13Å |
| 946 | D | 85.4 | Confident | 86.1 | Confident | 93 Ų | 93 | 82.9 Ų | 82.9 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | trans | -52.8 | 132.7 | 178.7 | 177.6 | -89.9 | 0 | 0 | 0 | 111.7 | K948 V949 T950 | D946-K948 PolarHBondContact O-N 3.5Å; D946-K948 WeakPolarHBondContact OD1-CA 3.46Å; D946-K948 VanDerWaalsContact OD1-CB 3.24Å; D946-K948 WeakPolarHBondContact OD1-CB 3.14Å; D946-K948 PolarHBondContact OD1-N 3.48Å; D946-V949 HydrophobicContact CB-CB 4.39Å; D946-V949 HydrophobicContact CB-CG2 4.07Å; D946-V949 WeakPolarHBondContact O-CB 3.48Å; D946-V949 PolarHBondContact O-N 3.22Å; D946-V949 PolarHBondContact OD1-N 2.96Å; D946-T950 PolarHBondContact O-N 3.47Å; D946-T950 PolarHBondContact O-OG1 3.14Å | ||
| 947 | I | 85.1 | Confident | 86.2 | Confident | 65 Ų | 65 | 80.1 Ų | 80.1 | 33% | 0.333 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.5 | -31.1 | -172.4 | -167.4 | 59.8 | 0 | 0 | 0 | 112.9 | T945 T950 L951 I966 T1040 | T945-I947 PolarHBondContact O-N 2.87Å; I947-T950 PolarHBondContact O-N 3.31Å; I947-L951 HydrophobicContact CG1-CD1 4.28Å; I947-L951 HydrophobicContact CG1-CG 4.46Å; I947-L951 WeakPolarHBondContact O-CB 3.29Å; I947-L951 VanDerWaalsContact O-CG 3.23Å; I947-L951 WeakPolarHBondContact O-CG 3.25Å; I947-L951 PolarHBondContact O-N 3.32Å; I947-I966 HydrophobicContact CD1-CD1 4.28Å; I947-T1040 HydrophobicContact CD1-CG2 3.9Å; I947-T1040 HydrophobicContact CG1-CG2 3.9Å |
| 948 | K | 85.8 | Confident | 86.3 | Confident | 158 Ų | 158 | 77 Ų | 77 | 69% | 0.687 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70.9 | -38.5 | 176.9 | -62.1 | 179.9 | 174.4 | 179.4 | 0 | 111 | D946 S952 | D946-K948 PolarHBondContact O-N 3.5Å; D946-K948 WeakPolarHBondContact OD1-CA 3.46Å; D946-K948 VanDerWaalsContact OD1-CB 3.24Å; D946-K948 WeakPolarHBondContact OD1-CB 3.14Å; D946-K948 PolarHBondContact OD1-N 3.48Å; K948-S952 PolarHBondContact O-N 2.94Å; K948-S952 PolarHBondContact O-OG 3.46Å |
| 949 | V | 87.7 | Confident | 86.5 | Confident | 78 Ų | 78 | 76.1 Ų | 76.1 | 47% | 0.473 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.6 | -46.3 | 174.4 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | T945 D946 L951 S952 V953 | T945-V949 HydrophobicContact CG2-CB 4.25Å; T945-V949 HydrophobicContact CG2-CG1 4.13Å; D946-V949 HydrophobicContact CB-CB 4.39Å; D946-V949 HydrophobicContact CB-CG2 4.07Å; D946-V949 WeakPolarHBondContact O-CB 3.48Å; D946-V949 PolarHBondContact O-N 3.22Å; D946-V949 PolarHBondContact OD1-N 2.96Å; V949-L951 PolarHBondContact O-N 3.41Å; V949-S952 WeakPolarHBondContact O-CB 3.38Å; V949-S952 PolarHBondContact O-N 2.95Å; V949-S952 VanDerWaalsContact O-N 3.15Å; V949-V953 PolarHBondContact O-N 3.47Å |
| 950 | T | 88.6 | Confident | 86.8 | Confident | 11 Ų | 11 | 71.3 Ų | 71.3 | 7% | 0.067 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.4 | -47.9 | 176.3 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | I941 D946 I947 S952 V953 F954 | I941-T950 HydrophobicContact CD1-CG2 4.31Å; I941-T950 HydrophobicContact CG2-CG2 3.95Å; D946-T950 PolarHBondContact O-N 3.47Å; D946-T950 PolarHBondContact O-OG1 3.14Å; I947-T950 PolarHBondContact O-N 3.31Å; T950-S952 VanDerWaalsContact C-N 3.32Å; T950-S952 PolarHBondContact O-N 2.9Å; T950-V953 PolarHBondContact O-N 3.32Å; T950-F954 HydrophobicContact CG2-CD2 3.97Å; T950-F954 HydrophobicContact CG2-CE1 4.46Å; T950-F954 HydrophobicContact CG2-CE2 3.72Å; T950-F954 HydrophobicContact CG2-CG 4.44Å; T950-F954 HydrophobicContact CG2-CZ 3.99Å; T950-F954 WeakPolarHBondContact O-CB 3.48Å; T950-F954 WeakPolarHBondContact O-CG 3.16Å; T950-F954 PolarHBondContact O-N 2.61Å |
| 951 | L | 90.3 | Very high | 87.2 | Confident | 37 Ų | 37 | 63.3 Ų | 63.3 | 19% | 0.194 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.5 | -34.6 | 177.9 | -72 | 172.7 | 0 | 0 | 0 | 112.8 | I947 V949 F954 E955 I966 P968 V971 T1040 | I947-L951 HydrophobicContact CG1-CD1 4.28Å; I947-L951 HydrophobicContact CG1-CG 4.46Å; I947-L951 WeakPolarHBondContact O-CB 3.29Å; I947-L951 VanDerWaalsContact O-CG 3.23Å; I947-L951 WeakPolarHBondContact O-CG 3.25Å; I947-L951 PolarHBondContact O-N 3.32Å; V949-L951 PolarHBondContact O-N 3.41Å; L951-F954 PolarHBondContact O-N 3.23Å; L951-E955 WeakPolarHBondContact O-CB 3.18Å; L951-E955 PolarHBondContact O-N 3.11Å; L951-I966 HydrophobicContact CD2-CG2 4.1Å; L951-P968 HydrophobicContact CD2-CB 4.42Å; L951-V971 HydrophobicContact CD1-CG1 4.02Å; L951-V971 HydrophobicContact CD2-CB 4.4Å; L951-V971 HydrophobicContact CD2-CG1 4.27Å; L951-V971 HydrophobicContact CD2-CG2 4.22Å; L951-T1040 HydrophobicContact CD1-CG2 4.31Å; L951-T1040 HydrophobicContact CD2-CG2 4.49Å |
| 952 | S | 91 | Very high | 87.7 | Confident | 77 Ų | 77 | 61.7 Ų | 61.7 | 54% | 0.538 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 177 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | K948 V949 T950 E955 L956 | K948-S952 PolarHBondContact O-N 2.94Å; K948-S952 PolarHBondContact O-OG 3.46Å; V949-S952 WeakPolarHBondContact O-CB 3.38Å; V949-S952 PolarHBondContact O-N 2.95Å; V949-S952 VanDerWaalsContact O-N 3.15Å; T950-S952 VanDerWaalsContact C-N 3.32Å; T950-S952 PolarHBondContact O-N 2.9Å; S952-E955 PolarHBondContact O-N 3.39Å; S952-L956 PolarHBondContact O-N 3.04Å |
| 953 | V | 93.1 | Very high | 88.5 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 13% | 0.127 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 174.8 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | L937 I941 V949 T950 E955 L956 A957 | L937-V953 HydrophobicContact CB-CG1 4.48Å; L937-V953 HydrophobicContact CD2-CG1 3.92Å; L937-V953 HydrophobicContact CD2-CG2 4.23Å; L937-V953 HydrophobicContact CG-CG1 3.71Å; L937-V953 HydrophobicContact CG-CG2 4.28Å; I941-V953 HydrophobicContact CD1-CB 3.6Å; I941-V953 HydrophobicContact CD1-CG1 3.52Å; I941-V953 HydrophobicContact CD1-CG2 4.28Å; I941-V953 HydrophobicContact CG1-CB 4.45Å; I941-V953 HydrophobicContact CG1-CG1 4.19Å; V949-V953 PolarHBondContact O-N 3.47Å; T950-V953 PolarHBondContact O-N 3.32Å; V953-E955 VanDerWaalsContact C-N 3.31Å; V953-E955 PolarHBondContact O-N 2.8Å; V953-L956 PolarHBondContact O-N 3.37Å; V953-A957 WeakPolarHBondContact O-CB 3.3Å; V953-A957 PolarHBondContact O-N 3.03Å |
| 954 | F | 93.6 | Very high | 89.6 | Confident | 12 Ų | 12 | 55.7 Ų | 55.7 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -32.4 | 175.9 | -76 | -3.8 | 0 | 0 | 0 | 112.7 | R938 I941 T950 L951 A957 S958 C964 I966 P968 | R938-F954 HydrophobicContact CG-CD1 4.37Å; R938-F954 HydrophobicContact CG-CE1 4.07Å; I941-F954 HydrophobicContact CD1-CD1 3.73Å; I941-F954 HydrophobicContact CD1-CE1 3.51Å; I941-F954 HydrophobicContact CD1-CZ 4.33Å; T950-F954 HydrophobicContact CG2-CD2 3.97Å; T950-F954 HydrophobicContact CG2-CE1 4.46Å; T950-F954 HydrophobicContact CG2-CE2 3.72Å; T950-F954 HydrophobicContact CG2-CG 4.44Å; T950-F954 HydrophobicContact CG2-CZ 3.99Å; T950-F954 WeakPolarHBondContact O-CB 3.48Å; T950-F954 WeakPolarHBondContact O-CG 3.16Å; T950-F954 PolarHBondContact O-N 2.61Å; L951-F954 PolarHBondContact O-N 3.23Å; F954-A957 PolarHBondContact O-N 3.43Å; F954-S958 WeakPolarHBondContact O-CB 3.39Å; F954-S958 PolarHBondContact O-N 3.31Å; F954-C964 HydrophobicContact CB-CB 4.19Å; F954-C964 HydrophobicContact CD1-CB 4.12Å; F954-C964 HydrophobicContact CD2-CB 3.91Å; F954-C964 HydrophobicContact CE1-CB 4.44Å; F954-C964 HydrophobicContact CE2-CB 4.27Å; F954-C964 HydrophobicContact CG-CB 3.83Å; F954-I966 HydrophobicContact CD2-CB 4.13Å; F954-I966 WeakPolarHBondContact CD2-O 3.05Å; F954-I966 HydrophobicContact CE2-CB 4.06Å; F954-I966 HydrophobicContact CE2-CG1 4.44Å; F954-P968 HydrophobicContact CB-CG 4.22Å |
| 955 | E | 93.8 | Very high | 90.6 | Very high | 102 Ų | 102 | 51 Ų | 51 | 48% | 0.477 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 173.5 | -171 | -179 | 174.3 | 0 | 0 | 110.6 | K844 L951 S952 V953 S958 A959 P968 | K844-E955 IonicContact NZ-OE1 3.52Å; K844-E955 PolarHBondContact NZ-OE1 3.48Å; L951-E955 WeakPolarHBondContact O-CB 3.18Å; L951-E955 PolarHBondContact O-N 3.11Å; S952-E955 PolarHBondContact O-N 3.39Å; V953-E955 VanDerWaalsContact C-N 3.31Å; V953-E955 PolarHBondContact O-N 2.8Å; E955-S958 PolarHBondContact O-N 3.39Å; E955-A959 WeakPolarHBondContact O-CB 3.31Å; E955-A959 PolarHBondContact O-N 2.67Å; E955-P968 HydrophobicContact CB-CB 4.3Å; E955-P968 HydrophobicContact CB-CG 4.34Å |
| 956 | L | 94.1 | Very high | 91.2 | Very high | 85 Ų | 85 | 49.4 Ų | 49.4 | 45% | 0.445 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 174.5 | 178.5 | 64.1 | 0 | 0 | 0 | 111.9 | I934 L937 S952 V953 A959 A960 | I934-L956 HydrophobicContact CD1-CD1 4.43Å; I934-L956 HydrophobicContact CG1-CD2 4.29Å; I934-L956 HydrophobicContact CG1-CG 4.35Å; I934-L956 HydrophobicContact CG2-CG 4.28Å; L937-L956 HydrophobicContact CD2-CD2 4.22Å; S952-L956 PolarHBondContact O-N 3.04Å; V953-L956 PolarHBondContact O-N 3.37Å; L956-A959 PolarHBondContact O-N 3.2Å; L956-A960 PolarHBondContact O-N 3.35Å |
| 957 | A | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.7 | -42.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | I934 R938 V953 F954 A960 G961 L962 | I934-A957 HydrophobicContact CG2-CB 4.29Å; R938-A957 HydrophobicContact CB-CB 4.27Å; R938-A957 HydrophobicContact CG-CB 4.33Å; V953-A957 WeakPolarHBondContact O-CB 3.3Å; V953-A957 PolarHBondContact O-N 3.03Å; F954-A957 PolarHBondContact O-N 3.43Å; A957-A960 CarbonylContact O-C 3.53Å; A957-A960 WeakPolarHBondContact O-CA 3.4Å; A957-A960 WeakPolarHBondContact O-CB 3.28Å; A957-A960 PolarHBondContact O-N 3.46Å; A957-A960 VanDerWaalsContact O-N 3.08Å; A957-G961 PolarHBondContact O-N 3.32Å; A957-L962 HydrophobicContact CB-CB 4.11Å; A957-L962 HydrophobicContact CB-CD1 3.99Å; A957-L962 VanDerWaalsContact O-CB 3.32Å; A957-L962 WeakPolarHBondContact O-CB 3.48Å; A957-L962 PolarHBondContact O-N 3.21Å |
| 958 | S | 93.8 | Very high | 91.9 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 12% | 0.119 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -39.2 | 176.8 | -177 | 0 | 0 | 0 | 0 | 111.9 | R912 F954 E955 A960 G961 | R912-S958 PolarHBondContact NH2-OG 2.68Å; F954-S958 WeakPolarHBondContact O-CB 3.39Å; F954-S958 PolarHBondContact O-N 3.31Å; E955-S958 PolarHBondContact O-N 3.39Å; S958-A960 PolarHBondContact O-N 3.42Å; S958-G961 WeakPolarHBondContact O-CA 3.36Å; S958-G961 PolarHBondContact O-N 2.74Å |
| 959 | A | 93.7 | Very high | 92.3 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 32% | 0.322 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.5 | -24.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | E955 L956 G961 | E955-A959 WeakPolarHBondContact O-CB 3.31Å; E955-A959 PolarHBondContact O-N 2.67Å; L956-A959 PolarHBondContact O-N 3.2Å; A959-G961 VanDerWaalsContact C-N 3.34Å |
| 960 | A | 95.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 5% | 0.05 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 6.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K920 L923 M931 I934 L956 A957 S958 L962 | K920-A960 WeakPolarHBondContact CA-O 3.26Å; L923-A960 HydrophobicContact CD1-CB 4.31Å; M931-A960 HydrophobicContact CE-CB 4.08Å; M931-A960 WeakPolarHBondContact CE-O 3.25Å; M931-A960 HydrophobicContact SD-CB 3.84Å; I934-A960 HydrophobicContact CD1-CB 4.2Å; I934-A960 HydrophobicContact CG2-CB 4.17Å; L956-A960 PolarHBondContact O-N 3.35Å; A957-A960 CarbonylContact O-C 3.53Å; A957-A960 WeakPolarHBondContact O-CA 3.4Å; A957-A960 WeakPolarHBondContact O-CB 3.28Å; A957-A960 PolarHBondContact O-N 3.46Å; A957-A960 VanDerWaalsContact O-N 3.08Å; S958-A960 PolarHBondContact O-N 3.42Å; A960-L962 VanDerWaalsContact C-N 3.3Å; A960-L962 PolarHBondContact O-N 3.42Å |
| 961 | G | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 7.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | M916 A957 S958 A959 | M916-G961 CarbonylContact C-O 3.53Å; M916-G961 VanDerWaalsContact O-CA 3.29Å; M916-G961 WeakPolarHBondContact O-CA 3.48Å; A957-G961 PolarHBondContact O-N 3.32Å; S958-G961 WeakPolarHBondContact O-CA 3.36Å; S958-G961 PolarHBondContact O-N 2.74Å; A959-G961 VanDerWaalsContact C-N 3.34Å |
| 962 | L | 94.1 | Very high | 93 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | trans | -73.1 | 136.4 | 178.8 | -63.2 | 170.3 | 0 | 0 | 0 | 110.8 | K920 M931 I934 E935 A957 A960 C964 | K920-L962 HydrophobicContact CD-CD2 3.8Å; K920-L962 HydrophobicContact CG-CD2 3.87Å; M931-L962 HydrophobicContact CE-CD2 4.27Å; M931-L962 HydrophobicContact CE-CG 4.4Å; I934-L962 HydrophobicContact CG2-CD1 3.73Å; E935-L962 HydrophobicContact CB-CD1 4.47Å; E935-L962 HydrophobicContact CG-CD1 3.69Å; E935-L962 HydrophobicContact CG-CD2 3.61Å; E935-L962 HydrophobicContact CG-CG 4.3Å; A957-L962 HydrophobicContact CB-CB 4.11Å; A957-L962 HydrophobicContact CB-CD1 3.99Å; A957-L962 VanDerWaalsContact O-CB 3.32Å; A957-L962 WeakPolarHBondContact O-CB 3.48Å; A957-L962 PolarHBondContact O-N 3.21Å; A960-L962 VanDerWaalsContact C-N 3.3Å; A960-L962 PolarHBondContact O-N 3.42Å; L962-C964 PolarHBondContact O-N 3.25Å | ||
| 963 | K | 91.1 | Very high | 93.1 | Very high | 107 Ų | 107 | 31.3 Ų | 31.3 | 47% | 0.465 | 18% | 0.182 | S | C | . | . | trans | -64.1 | 129.2 | 169.9 | -170.4 | 175.9 | -179.1 | 178.5 | 0 | 108.6 | R938 D1089 | R938-K963 PolarHBondContact NH1-O 3.03Å; K963-D1089 IonicContact NZ-OD1 2.85Å | ||
| 964 | C | 91.2 | Very high | 93 | Very high | 16 Ų | 16 | 30.6 Ų | 30.6 | 11% | 0.108 | 18% | 0.177 | C | C | . | . | trans | -115.5 | 146.1 | 173.7 | -59.3 | 0 | 0 | 0 | 0 | 108.6 | F954 L962 I966 | F954-C964 HydrophobicContact CB-CB 4.19Å; F954-C964 HydrophobicContact CD1-CB 4.12Å; F954-C964 HydrophobicContact CD2-CB 3.91Å; F954-C964 HydrophobicContact CE1-CB 4.44Å; F954-C964 HydrophobicContact CE2-CB 4.27Å; F954-C964 HydrophobicContact CG-CB 3.83Å; L962-C964 PolarHBondContact O-N 3.25Å; C964-I966 WeakPolarHBondContact CB-O 3.43Å; C964-I966 PolarHBondContact O-N 3.31Å | ||
| 965 | D | 88.8 | Confident | 92.8 | Very high | 91 Ų | 91 | 32.3 Ų | 32.3 | 49% | 0.487 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -66 | -27.7 | 178.2 | -59.6 | -36.4 | 0 | 0 | 0 | 112.1 | P1091 F1092 | D965-P1091 HydrophobicContact CB-CB 4.39Å; D965-P1091 HydrophobicContact CB-CG 3.97Å; D965-F1092 HydrophobicContact CB-CZ 4.35Å |
| 966 | I | 90.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 34 Ų | 34 | 9% | 0.087 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -123.2 | 122 | 173.8 | -56.5 | 168.5 | 0 | 0 | 0 | 107.2 | I947 L951 F954 C964 P968 V971 T1040 I1046 F1092 | I947-I966 HydrophobicContact CD1-CD1 4.28Å; L951-I966 HydrophobicContact CD2-CG2 4.1Å; F954-I966 HydrophobicContact CD2-CB 4.13Å; F954-I966 WeakPolarHBondContact CD2-O 3.05Å; F954-I966 HydrophobicContact CE2-CB 4.06Å; F954-I966 HydrophobicContact CE2-CG1 4.44Å; C964-I966 WeakPolarHBondContact CB-O 3.43Å; C964-I966 PolarHBondContact O-N 3.31Å; I966-P968 VanDerWaalsContact O-CD 3.24Å; I966-P968 WeakPolarHBondContact O-CD 3.29Å; I966-V971 HydrophobicContact CG2-CG2 3.52Å; I966-T1040 HydrophobicContact CG2-CG2 4.32Å; I966-I1046 HydrophobicContact CD1-CD1 4.11Å; I966-I1046 HydrophobicContact CG1-CD1 4.29Å; I966-F1092 HydrophobicContact CG1-CZ 4.38Å |
| 967 | D | 92.8 | Very high | 92 | Very high | 17 Ų | 17 | 32 Ų | 32 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | trans | -78.2 | 111.3 | 177.1 | -171.3 | -21.8 | 0 | 0 | 0 | 110.2 | R912 A969 L970 V971 | R912-D967 IonicContact CZ-OD1 3.67Å; R912-D967 IonicContact CZ-OD2 3.69Å; R912-D967 IonicContact NE-OD2 3.66Å; R912-D967 PolarHBondContact NE-OD2 3.39Å; R912-D967 IonicContact NH2-OD1 3.25Å; R912-D967 PolarHBondContact NH2-OD1 2.86Å; R912-D967 IonicContact NH2-OD2 3.9Å; R912-D967 PolarHBondContact NH2-OD2 3.42Å; D967-A969 VanDerWaalsContact C-N 3.28Å; D967-A969 PolarHBondContact O-N 3.35Å; D967-A969 WeakPolarHBondContact OD1-CB 3.23Å; D967-A969 PolarHBondContact OD1-N 2.93Å; D967-L970 HydrophobicContact CB-CB 3.98Å; D967-L970 PolarHBondContact O-N 3.29Å; D967-V971 WeakPolarHBondContact O-CG2 3.23Å; D967-V971 PolarHBondContact O-N 3.4Å | ||
| 968 | P | 93 | Very high | 91.1 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -31.5 | -177.3 | 28.4 | -36.8 | 0 | 0 | 0 | 112.6 | L951 F954 E955 I966 V971 A972 | L951-P968 HydrophobicContact CD2-CB 4.42Å; F954-P968 HydrophobicContact CB-CG 4.22Å; E955-P968 HydrophobicContact CB-CB 4.3Å; E955-P968 HydrophobicContact CB-CG 4.34Å; I966-P968 VanDerWaalsContact O-CD 3.24Å; I966-P968 WeakPolarHBondContact O-CD 3.29Å; P968-V971 PolarHBondContact O-N 2.97Å; P968-A972 WeakPolarHBondContact O-CB 3.21Å; P968-A972 PolarHBondContact O-N 2.97Å |
| 969 | A | 92.9 | Very high | 89.8 | Confident | 29 Ų | 29 | 39 Ų | 39 | 24% | 0.24 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.5 | -38.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | M851 D967 A973 | M851-A969 HydrophobicContact CG-CB 4.02Å; M851-A969 HydrophobicContact SD-CB 4.48Å; D967-A969 VanDerWaalsContact C-N 3.28Å; D967-A969 PolarHBondContact O-N 3.35Å; D967-A969 WeakPolarHBondContact OD1-CB 3.23Å; D967-A969 PolarHBondContact OD1-N 2.93Å; A969-A973 VanDerWaalsContact O-CB 3.29Å; A969-A973 WeakPolarHBondContact O-CB 3.26Å; A969-A973 PolarHBondContact O-N 3.48Å |
| 970 | L | 94.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.7 | -41.9 | 175.5 | -172.9 | 59.9 | 0 | 0 | 0 | 111.4 | M851 I854 L909 D967 A972 A973 I974 Q1033 A1037 | M851-L970 HydrophobicContact SD-CB 3.71Å; M851-L970 HydrophobicContact SD-CD1 3.7Å; M851-L970 HydrophobicContact SD-CG 4.28Å; I854-L970 HydrophobicContact CB-CD1 4.5Å; I854-L970 HydrophobicContact CD1-CD1 4.38Å; I854-L970 HydrophobicContact CG2-CD1 3.77Å; L909-L970 HydrophobicContact CD2-CD2 4.46Å; D967-L970 HydrophobicContact CB-CB 3.98Å; D967-L970 PolarHBondContact O-N 3.29Å; L970-A972 PolarHBondContact O-N 2.91Å; L970-A973 PolarHBondContact O-N 2.73Å; L970-I974 HydrophobicContact CD1-CG1 4.17Å; L970-I974 HydrophobicContact CG-CG1 4.35Å; L970-I974 WeakPolarHBondContact O-CB 3.31Å; L970-I974 VanDerWaalsContact O-CG1 3.25Å; L970-I974 WeakPolarHBondContact O-CG1 3.48Å; L970-I974 PolarHBondContact O-N 2.68Å; L970-Q1033 HydrophobicContact CD2-CB 4.15Å; L970-A1037 HydrophobicContact CB-CB 4.17Å; L970-A1037 HydrophobicContact CD2-CB 3.77Å; L970-A1037 HydrophobicContact CG-CB 3.62Å |
| 971 | V | 94.1 | Very high | 86.3 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.7 | -49.7 | 173.7 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | L951 I966 D967 P968 A973 I974 S975 A1037 T1040 V1041 | L951-V971 HydrophobicContact CD1-CG1 4.02Å; L951-V971 HydrophobicContact CD2-CB 4.4Å; L951-V971 HydrophobicContact CD2-CG1 4.27Å; L951-V971 HydrophobicContact CD2-CG2 4.22Å; I966-V971 HydrophobicContact CG2-CG2 3.52Å; D967-V971 WeakPolarHBondContact O-CG2 3.23Å; D967-V971 PolarHBondContact O-N 3.4Å; P968-V971 PolarHBondContact O-N 2.97Å; V971-A973 PolarHBondContact O-N 3.43Å; V971-I974 PolarHBondContact O-N 3.33Å; V971-S975 VanDerWaalsContact O-CB 3.29Å; V971-S975 WeakPolarHBondContact O-CB 3.38Å; V971-S975 PolarHBondContact O-N 2.95Å; V971-A1037 HydrophobicContact CG2-CB 3.98Å; V971-T1040 HydrophobicContact CG1-CG2 4.33Å; V971-T1040 HydrophobicContact CG2-CG2 4.15Å; V971-V1041 HydrophobicContact CG1-CG2 3.86Å |
| 972 | A | 92.8 | Very high | 85 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 40% | 0.397 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P968 L970 I974 S975 N976 | P968-A972 WeakPolarHBondContact O-CB 3.21Å; P968-A972 PolarHBondContact O-N 2.97Å; L970-A972 PolarHBondContact O-N 2.91Å; A972-I974 PolarHBondContact O-N 3.4Å; A972-S975 PolarHBondContact O-N 2.8Å; A972-N976 WeakPolarHBondContact O-CB 3.29Å; A972-N976 PolarHBondContact O-N 3.09Å; A972-N976 PolarHBondContact O-ND2 3.01Å |
| 973 | A | 93.1 | Very high | 84.3 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M851 T855 A969 L970 V971 N976 M977 | M851-A973 HydrophobicContact CB-CB 3.78Å; M851-A973 HydrophobicContact CG-CB 4.34Å; T855-A973 HydrophobicContact CG2-CB 3.68Å; A969-A973 VanDerWaalsContact O-CB 3.29Å; A969-A973 WeakPolarHBondContact O-CB 3.26Å; A969-A973 PolarHBondContact O-N 3.48Å; L970-A973 PolarHBondContact O-N 2.73Å; V971-A973 PolarHBondContact O-N 3.43Å; A973-N976 PolarHBondContact O-N 2.75Å; A973-M977 WeakPolarHBondContact O-CG 3.4Å |
| 974 | I | 91.8 | Very high | 83.8 | Confident | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 176.3 | -64.5 | -65.8 | 0 | 0 | 0 | 111.3 | T855 V858 L970 V971 A972 N976 M977 L1034 A1037 M1038 V1041 | T855-I974 HydrophobicContact CG2-CD1 4.47Å; V858-I974 HydrophobicContact CB-CD1 4.41Å; V858-I974 HydrophobicContact CG1-CD1 4.1Å; V858-I974 HydrophobicContact CG2-CD1 4.08Å; L970-I974 HydrophobicContact CD1-CG1 4.17Å; L970-I974 HydrophobicContact CG-CG1 4.35Å; L970-I974 WeakPolarHBondContact O-CB 3.31Å; L970-I974 VanDerWaalsContact O-CG1 3.25Å; L970-I974 WeakPolarHBondContact O-CG1 3.48Å; L970-I974 PolarHBondContact O-N 2.68Å; V971-I974 PolarHBondContact O-N 3.33Å; A972-I974 PolarHBondContact O-N 3.4Å; I974-N976 VanDerWaalsContact C-N 3.3Å; I974-N976 PolarHBondContact O-N 3.29Å; I974-M977 HydrophobicContact CD1-SD 3.87Å; I974-M977 WeakPolarHBondContact O-CB 3.31Å; I974-M977 PolarHBondContact O-N 3.36Å; I974-M977 VanDerWaalsContact O-N 3.12Å; I974-L1034 HydrophobicContact CD1-CD1 3.98Å; I974-A1037 HydrophobicContact CG1-CB 4.43Å; I974-M1038 HydrophobicContact CG2-CG 4.24Å; I974-V1041 HydrophobicContact CG2-CG2 4.35Å |
| 975 | S | 89.3 | Confident | 83.4 | Confident | 47 Ų | 47 | 63.9 Ų | 63.9 | 33% | 0.329 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 176.4 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | V971 A972 M977 Q978 | V971-S975 VanDerWaalsContact O-CB 3.29Å; V971-S975 WeakPolarHBondContact O-CB 3.38Å; V971-S975 PolarHBondContact O-N 2.95Å; A972-S975 PolarHBondContact O-N 2.8Å; S975-M977 PolarHBondContact O-N 3.26Å; S975-Q978 WeakPolarHBondContact O-CB 3.27Å; S975-Q978 PolarHBondContact O-N 3.1Å; S975-Q978 VanDerWaalsContact O-N 3.11Å |
| 976 | N | 87.9 | Confident | 83.2 | Confident | 137 Ų | 137 | 64.6 Ų | 64.6 | 73% | 0.733 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -11.2 | 178.8 | -69.8 | -18 | 0 | 0 | 0 | 113.8 | A972 A973 I974 Q978 | A972-N976 WeakPolarHBondContact O-CB 3.29Å; A972-N976 PolarHBondContact O-N 3.09Å; A972-N976 PolarHBondContact O-ND2 3.01Å; A973-N976 PolarHBondContact O-N 2.75Å; I974-N976 VanDerWaalsContact C-N 3.3Å; I974-N976 PolarHBondContact O-N 3.29Å; N976-Q978 VanDerWaalsContact C-N 3.31Å |
| 977 | M | 83.3 | Confident | 83 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 21% | 0.212 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -14.9 | 172.6 | -58.6 | 177.5 | 68.7 | 0 | 0 | 112.9 | T855 V858 S859 A973 I974 S975 T979 | T855-M977 VanDerWaalsContact CB-SD 3.55Å; T855-M977 HydrophobicContact CG2-CG 4.01Å; T855-M977 HydrophobicContact CG2-SD 3.64Å; T855-M977 VanDerWaalsContact O-CE 3.3Å; T855-M977 WeakPolarHBondContact O-CE 3.48Å; V858-M977 HydrophobicContact CB-CE 4.27Å; V858-M977 HydrophobicContact CB-SD 4.4Å; V858-M977 HydrophobicContact CG1-CE 4.09Å; V858-M977 HydrophobicContact CG1-SD 4.19Å; S859-M977 WeakPolarHBondContact OG-CE 3.31Å; A973-M977 WeakPolarHBondContact O-CG 3.4Å; I974-M977 HydrophobicContact CD1-SD 3.87Å; I974-M977 WeakPolarHBondContact O-CB 3.31Å; I974-M977 PolarHBondContact O-N 3.36Å; I974-M977 VanDerWaalsContact O-N 3.12Å; S975-M977 PolarHBondContact O-N 3.26Å; M977-T979 PolarHBondContact O-N 3.44Å |
| 978 | Q | 74.2 | Confident | 82.8 | Confident | 77 Ų | 77 | 65.6 Ų | 65.6 | 36% | 0.36 | 37% | 0.368 | S | S | . | . | trans | -70.9 | 127.8 | -179.9 | -64.7 | -175.3 | -16.2 | 0 | 0 | 109.7 | S975 N976 | S975-Q978 WeakPolarHBondContact O-CB 3.27Å; S975-Q978 PolarHBondContact O-N 3.1Å; S975-Q978 VanDerWaalsContact O-N 3.11Å; N976-Q978 VanDerWaalsContact C-N 3.31Å | ||
| 979 | T | 66.7 | Low | 82.7 | Confident | 88 Ų | 88 | 69.2 Ų | 69.2 | 54% | 0.54 | 38% | 0.382 | S | S | . | . | trans | -99 | 147.3 | 171 | 62.4 | 0 | 0 | 0 | 0 | 109 | M977 N981 T982 | M977-T979 PolarHBondContact O-N 3.44Å; T979-N981 PolarHBondContact O-N 3.34Å; T979-T982 PolarHBondContact O-N 3.35Å; T979-T982 VanDerWaalsContact O-N 3.11Å; T979-T982 PolarHBondContact O-OG1 2.94Å; T979-T982 PolarHBondContact OG1-OG1 3.41Å | ||
| 980 | D | 58.5 | Low | 82.6 | Confident | 175 Ų | 175 | 68.4 Ų | 68.4 | 94% | 0.936 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -14.3 | -176.8 | -68.1 | -30.2 | 0 | 0 | 0 | 114.7 | ||
| 981 | N | 57.3 | Low | 82.6 | Confident | 159 Ų | 159 | 68.6 Ų | 68.6 | 85% | 0.85 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -4.3 | -176 | -68.5 | -25.8 | 0 | 0 | 0 | 115.2 | T979 | T979-N981 PolarHBondContact O-N 3.34Š|
| 982 | T | 66.5 | Low | 82.5 | Confident | 49 Ų | 49 | 70.9 Ų | 70.9 | 30% | 0.301 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -102.1 | 125.1 | -174.8 | -29.1 | 0 | 0 | 0 | 0 | 110.7 | T979 E987 | T979-T982 PolarHBondContact O-N 3.35Å; T979-T982 VanDerWaalsContact O-N 3.11Å; T979-T982 PolarHBondContact O-OG1 2.94Å; T979-T982 PolarHBondContact OG1-OG1 3.41Å; T982-E987 HydrophobicContact CG2-CG 4.01Å |
| 983 | S | 80.4 | Confident | 82.6 | Confident | 62 Ų | 62 | 68.8 Ų | 68.8 | 43% | 0.434 | 36% | 0.364 | S | S | . | . | trans | -70.7 | 142.4 | -179.6 | 78.3 | 0 | 0 | 0 | 0 | 111.7 | E985 E986 E987 | S983-E985 PolarHBondContact O-N 2.97Å; S983-E985 VanDerWaalsContact O-N 3.15Å; S983-E986 PolarHBondContact O-N 3.38Å; S983-E986 VanDerWaalsContact O-N 3.09Å; S983-E986 WeakPolarHBondContact OG-CB 3.46Å; S983-E986 PolarHBondContact OG-N 3.49Å; S983-E986 VanDerWaalsContact OG-N 3.15Å; S983-E987 PolarHBondContact O-N 2.9Å | ||
| 984 | V | 79.6 | Confident | 82.7 | Confident | 90 Ų | 90 | 68.3 Ų | 68.3 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.6 | -30.8 | 177.6 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | F988 | V984-F988 WeakPolarHBondContact O-CB 3.34Å; V984-F988 PolarHBondContact O-N 3.19Å |
| 985 | E | 82.3 | Confident | 82.8 | Confident | 162 Ų | 162 | 68.6 Ų | 68.6 | 76% | 0.757 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -74.5 | -35.2 | 179.8 | -157.7 | 167.7 | -156.5 | 0 | 0 | 112.5 | S983 K989 | S983-E985 PolarHBondContact O-N 2.97Å; S983-E985 VanDerWaalsContact O-N 3.15Å; E985-K989 WeakPolarHBondContact O-CB 3.27Å; E985-K989 PolarHBondContact O-N 2.96Å |
| 986 | E | 85.4 | Confident | 83 | Confident | 105 Ų | 105 | 66.8 Ų | 66.8 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.8 | -43.1 | 173.5 | -174.8 | 170.8 | -164.5 | 0 | 0 | 111.6 | S983 F988 K989 L990 | S983-E986 PolarHBondContact O-N 3.38Å; S983-E986 VanDerWaalsContact O-N 3.09Å; S983-E986 WeakPolarHBondContact OG-CB 3.46Å; S983-E986 PolarHBondContact OG-N 3.49Å; S983-E986 VanDerWaalsContact OG-N 3.15Å; E986-F988 VanDerWaalsContact C-N 3.34Å; E986-F988 PolarHBondContact O-N 2.78Å; E986-K989 WeakPolarHBondContact O-CB 3.32Å; E986-K989 PolarHBondContact O-N 3.05Å; E986-K989 VanDerWaalsContact O-N 3.16Å; E986-L990 WeakPolarHBondContact O-CG 3.26Å; E986-L990 PolarHBondContact O-N 3.35Å |
| 987 | E | 86.4 | Confident | 83.4 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 173.6 | -86.1 | -69.4 | 159.1 | 0 | 0 | 112.5 | K862 T982 S983 L990 S991 Q1042 | K862-E987 WeakPolarHBondContact CE-OE2 3.44Å; K862-E987 IonicContact NZ-OE1 3.23Å; K862-E987 PolarHBondContact NZ-OE1 3.35Å; K862-E987 IonicContact NZ-OE2 3.41Å; K862-E987 PolarHBondContact NZ-OE2 2.6Å; T982-E987 HydrophobicContact CG2-CG 4.01Å; S983-E987 PolarHBondContact O-N 2.9Å; E987-L990 PolarHBondContact O-N 3.31Å; E987-S991 WeakPolarHBondContact O-CB 3.45Å; E987-S991 PolarHBondContact O-N 3.05Å; E987-S991 PolarHBondContact O-OG 3.37Å; E987-Q1042 PolarHBondContact O-NE2 3.43Å |
| 988 | F | 89.4 | Confident | 84 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 173.1 | 175.7 | -116.3 | 0 | 0 | 0 | 111.9 | V984 E986 S991 R992 F1039 K1044 | V984-F988 WeakPolarHBondContact O-CB 3.34Å; V984-F988 PolarHBondContact O-N 3.19Å; E986-F988 VanDerWaalsContact C-N 3.34Å; E986-F988 PolarHBondContact O-N 2.78Å; F988-S991 PolarHBondContact O-N 2.89Å; F988-R992 WeakPolarHBondContact O-CB 3.38Å; F988-R992 PolarHBondContact O-N 3.39Å; F988-F1039 AromaticContact CD2-CD1 3.9Å; F988-F1039 HydrophobicContact CD2-CD1 3.9Å; F988-F1039 AromaticContact CD2-CE1 3.6Å; F988-F1039 HydrophobicContact CD2-CE1 3.6Å; F988-F1039 AromaticContact CE2-CD1 3.82Å; F988-F1039 HydrophobicContact CE2-CD1 3.82Å; F988-F1039 AromaticContact CE2-CE1 3.5Å; F988-F1039 HydrophobicContact CE2-CE1 3.5Å; F988-F1039 VanDerWaalsContact CE2-CE1 3.5Å; F988-K1044 HydrophobicContact CD2-CB 4.46Å; F988-K1044 HydrophobicContact CD2-CD 4.2Å; F988-K1044 HydrophobicContact CD2-CG 3.63Å; F988-K1044 HydrophobicContact CE2-CB 4.07Å; F988-K1044 HydrophobicContact CE2-CD 3.98Å; F988-K1044 HydrophobicContact CE2-CG 3.57Å; F988-K1044 HydrophobicContact CG-CG 4.44Å; F988-K1044 HydrophobicContact CZ-CD 4.26Å; F988-K1044 HydrophobicContact CZ-CG 4.34Å |
| 989 | K | 90.5 | Very high | 84.9 | Confident | 90 Ų | 90 | 54.7 Ų | 54.7 | 39% | 0.391 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 176 | -175.2 | -175.2 | 177.8 | -169.1 | 0 | 111.1 | M869 E985 E986 S991 R992 L993 | M869-K989 HydrophobicContact SD-CD 4.5Å; M869-K989 PolarHBondContact SD-NZ 3.38Å; M869-K989 VanDerWaalsContact SD-NZ 3.37Å; E985-K989 WeakPolarHBondContact O-CB 3.27Å; E985-K989 PolarHBondContact O-N 2.96Å; E986-K989 WeakPolarHBondContact O-CB 3.32Å; E986-K989 PolarHBondContact O-N 3.05Å; E986-K989 VanDerWaalsContact O-N 3.16Å; K989-S991 PolarHBondContact O-N 3.32Å; K989-R992 PolarHBondContact O-N 3.15Å; K989-L993 HydrophobicContact CG-CD1 4.01Å; K989-L993 HydrophobicContact CG-CG 4.47Å; K989-L993 WeakPolarHBondContact O-CB 3.29Å; K989-L993 VanDerWaalsContact O-CG 3.26Å; K989-L993 WeakPolarHBondContact O-CG 3.29Å; K989-L993 PolarHBondContact O-N 3.34Å |
| 990 | L | 91.8 | Very high | 86.1 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 178.7 | -68 | 177.6 | 0 | 0 | 0 | 112.1 | V865 I866 E986 E987 R992 L993 L994 | V865-L990 HydrophobicContact CG1-CD2 3.92Å; I866-L990 HydrophobicContact CD1-CD1 4.33Å; I866-L990 HydrophobicContact CD1-CD2 4.46Å; I866-L990 HydrophobicContact CG1-CD1 4.35Å; I866-L990 HydrophobicContact CG1-CD2 3.61Å; E986-L990 WeakPolarHBondContact O-CG 3.26Å; E986-L990 PolarHBondContact O-N 3.35Å; E987-L990 PolarHBondContact O-N 3.31Å; L990-R992 PolarHBondContact O-N 2.72Å; L990-L993 PolarHBondContact O-N 3.16Å; L990-L994 WeakPolarHBondContact O-CB 3.2Å; L990-L994 PolarHBondContact O-N 2.81Å |
| 991 | S | 92.4 | Very high | 87.7 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | -179.2 | -55.9 | 0 | 0 | 0 | 0 | 112 | E987 F988 K989 L994 L995 Q1042 | E987-S991 WeakPolarHBondContact O-CB 3.45Å; E987-S991 PolarHBondContact O-N 3.05Å; E987-S991 PolarHBondContact O-OG 3.37Å; F988-S991 PolarHBondContact O-N 2.89Å; K989-S991 PolarHBondContact O-N 3.32Å; S991-L994 WeakPolarHBondContact O-CB 3.35Å; S991-L994 PolarHBondContact O-N 3.4Å; S991-L995 PolarHBondContact O-N 2.89Å; S991-Q1042 PolarHBondContact OG-NE2 2.96Å |
| 992 | R | 92.9 | Very high | 89.4 | Confident | 60 Ų | 60 | 34.9 Ų | 34.9 | 23% | 0.226 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.7 | -39.1 | 174.8 | -168.6 | 169.4 | 179.9 | -166.5 | 1.7 | 112.2 | K876 F988 K989 L990 L994 L995 V996 E1052 | K876-R992 VanDerWaalsContact CE-NE 3.3Å; K876-R992 VanDerWaalsContact CE-NH2 3.28Å; F988-R992 WeakPolarHBondContact O-CB 3.38Å; F988-R992 PolarHBondContact O-N 3.39Å; K989-R992 PolarHBondContact O-N 3.15Å; L990-R992 PolarHBondContact O-N 2.72Å; R992-L994 VanDerWaalsContact C-N 3.33Å; R992-L995 PolarHBondContact O-N 3.24Å; R992-V996 WeakPolarHBondContact O-CG2 3.29Å; R992-V996 PolarHBondContact O-N 3.12Å; R992-E1052 IonicContact CZ-OE1 2.71Å; R992-E1052 IonicContact CZ-OE2 2.79Å; R992-E1052 IonicContact NE-OE2 2.78Å; R992-E1052 PolarHBondContact NE-OE2 3.19Å; R992-E1052 IonicContact NH2-OE1 3.66Å; R992-E1052 PolarHBondContact NH2-OE1 3.31Å; R992-E1052 IonicContact NH2-OE2 3.13Å; R992-E1052 PolarHBondContact NH2-OE2 3.44Å |
| 993 | L | 94.2 | Very high | 90.5 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.4 | -29.2 | 176.1 | -67.3 | 176.9 | 0 | 0 | 0 | 112.5 | V865 M869 L872 V873 K989 L990 V996 Y997 | V865-L993 HydrophobicContact CG1-CB 3.63Å; V865-L993 HydrophobicContact CG1-CD1 4.47Å; M869-L993 HydrophobicContact CG-CD1 3.82Å; L872-L993 HydrophobicContact CB-CB 4.3Å; L872-L993 HydrophobicContact CB-CD2 3.83Å; L872-L993 HydrophobicContact CB-CG 4.45Å; L872-L993 HydrophobicContact CD1-CB 4.27Å; V873-L993 HydrophobicContact CG2-CD1 3.85Å; V873-L993 HydrophobicContact CG2-CD2 3.84Å; V873-L993 HydrophobicContact CG2-CG 4.48Å; K989-L993 HydrophobicContact CG-CD1 4.01Å; K989-L993 HydrophobicContact CG-CG 4.47Å; K989-L993 WeakPolarHBondContact O-CB 3.29Å; K989-L993 VanDerWaalsContact O-CG 3.26Å; K989-L993 WeakPolarHBondContact O-CG 3.29Å; K989-L993 PolarHBondContact O-N 3.34Å; L990-L993 PolarHBondContact O-N 3.16Å; L993-V996 PolarHBondContact O-N 2.73Å; L993-Y997 WeakPolarHBondContact O-CB 3.47Å; L993-Y997 PolarHBondContact O-N 3.32Å |
| 994 | L | 95.2 | Very high | 90.9 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 170.8 | 179.1 | 59.6 | 0 | 0 | 0 | 111.2 | L861 V865 L990 S991 R992 V996 Y997 V998 L1034 M1038 | L861-L994 HydrophobicContact CB-CD1 4.02Å; L861-L994 HydrophobicContact CD1-CD1 4.46Å; L861-L994 HydrophobicContact CD2-CD1 4.21Å; L861-L994 HydrophobicContact CG-CD1 4.47Å; V865-L994 HydrophobicContact CG2-CB 3.91Å; V865-L994 HydrophobicContact CG2-CD1 3.86Å; V865-L994 HydrophobicContact CG2-CG 4.5Å; L990-L994 WeakPolarHBondContact O-CB 3.2Å; L990-L994 PolarHBondContact O-N 2.81Å; S991-L994 WeakPolarHBondContact O-CB 3.35Å; S991-L994 PolarHBondContact O-N 3.4Å; R992-L994 VanDerWaalsContact C-N 3.33Å; L994-V996 PolarHBondContact O-N 3.15Å; L994-Y997 WeakPolarHBondContact O-CB 3.48Å; L994-Y997 PolarHBondContact O-N 3.24Å; L994-Y997 VanDerWaalsContact O-N 3.17Å; L994-V998 HydrophobicContact CD1-CG2 4.39Å; L994-V998 WeakPolarHBondContact O-CG2 3.41Å; L994-V998 PolarHBondContact O-N 3.5Å; L994-L1034 HydrophobicContact CD2-CD2 4.31Å; L994-M1038 HydrophobicContact CD2-CE 3.96Å; L994-M1038 HydrophobicContact CD2-SD 4.29Å |
| 995 | L | 94.8 | Very high | 91.4 | Very high | 14 Ų | 14 | 27.9 Ų | 27.9 | 7% | 0.073 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 175.3 | -73.7 | -176.5 | 0 | 0 | 0 | 112.3 | S991 R992 Y997 V998 A999 T1035 F1039 Q1049 F1053 | S991-L995 PolarHBondContact O-N 2.89Å; R992-L995 PolarHBondContact O-N 3.24Å; L995-Y997 VanDerWaalsContact C-N 3.29Å; L995-Y997 PolarHBondContact O-N 3.36Å; L995-V998 PolarHBondContact O-N 3.2Å; L995-A999 WeakPolarHBondContact O-CB 3.42Å; L995-A999 PolarHBondContact O-N 2.86Å; L995-T1035 HydrophobicContact CD1-CG2 4.08Å; L995-T1035 WeakPolarHBondContact CD2-OG1 3.35Å; L995-F1039 HydrophobicContact CD1-CE2 3.72Å; L995-F1039 HydrophobicContact CD1-CZ 4.15Å; L995-Q1049 HydrophobicContact CD1-CB 4.19Å; L995-F1053 HydrophobicContact CB-CB 4.47Å; L995-F1053 HydrophobicContact CB-CD2 4.03Å; L995-F1053 HydrophobicContact CD1-CB 4.37Å; L995-F1053 HydrophobicContact CD2-CD2 3.93Å; L995-F1053 HydrophobicContact CD2-CG 4.35Å; L995-F1053 WeakPolarHBondContact O-CD2 3.11Å |
| 996 | V | 94.2 | Very high | 91.6 | Very high | 9 Ų | 9 | 20.3 Ų | 20.3 | 6% | 0.055 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.9 | -46.1 | 174.3 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | L872 M875 K876 R992 L993 L994 V998 A999 V1000 L1056 | L872-V996 HydrophobicContact CD2-CG1 4.25Å; M875-V996 HydrophobicContact CB-CG1 4.37Å; K876-V996 HydrophobicContact CB-CG1 4.31Å; K876-V996 HydrophobicContact CB-CG2 4Å; K876-V996 HydrophobicContact CD-CG2 4.28Å; K876-V996 HydrophobicContact CG-CG2 4.06Å; R992-V996 WeakPolarHBondContact O-CG2 3.29Å; R992-V996 PolarHBondContact O-N 3.12Å; L993-V996 PolarHBondContact O-N 2.73Å; L994-V996 PolarHBondContact O-N 3.15Å; V996-V998 PolarHBondContact O-N 3.41Å; V996-A999 PolarHBondContact O-N 3.25Å; V996-V1000 HydrophobicContact CG1-CG1 4.46Å; V996-V1000 WeakPolarHBondContact O-CG1 3.42Å; V996-V1000 WeakPolarHBondContact O-CG2 3.33Å; V996-V1000 PolarHBondContact O-N 3.4Å; V996-L1056 HydrophobicContact CB-CD2 4.09Å; V996-L1056 HydrophobicContact CG1-CD2 3.89Å; V996-L1056 HydrophobicContact CG2-CD2 4.01Å |
| 997 | Y | 95.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | -178.2 | -164.9 | -178.2 | 0 | 0 | 0 | 112.2 | M864 V865 L872 L892 T893 G894 G895 A898 L993 L994 L995 V1000 S1001 | M864-Y997 HydrophobicContact CB-CE1 4.06Å; V865-Y997 HydrophobicContact CG2-CD1 4.03Å; L872-Y997 HydrophobicContact CD1-CD1 4Å; L872-Y997 HydrophobicContact CD1-CG 4.04Å; L872-Y997 HydrophobicContact CD2-CD2 3.99Å; L872-Y997 HydrophobicContact CD2-CG 3.83Å; L892-Y997 HydrophobicContact CD1-CD2 4.03Å; L892-Y997 HydrophobicContact CD1-CE2 3.8Å; L892-Y997 HydrophobicContact CD2-CD2 3.91Å; L892-Y997 HydrophobicContact CD2-CE2 3.77Å; L892-Y997 HydrophobicContact CG-CD2 4.3Å; L892-Y997 HydrophobicContact CG-CE2 3.83Å; T893-Y997 PolarHBondContact O-OH 3.45Å; G894-Y997 WeakPolarHBondContact CA-OH 3.36Å; G894-Y997 PolarHBondContact O-OH 2.93Å; G895-Y997 PolarHBondContact N-OH 3.16Å; A898-Y997 HydrophobicContact CB-CD1 4.36Å; A898-Y997 HydrophobicContact CB-CE1 4.05Å; A898-Y997 HydrophobicContact CB-CE2 4.37Å; L993-Y997 WeakPolarHBondContact O-CB 3.47Å; L993-Y997 PolarHBondContact O-N 3.32Å; L994-Y997 WeakPolarHBondContact O-CB 3.48Å; L994-Y997 PolarHBondContact O-N 3.24Å; L994-Y997 VanDerWaalsContact O-N 3.17Å; L995-Y997 VanDerWaalsContact C-N 3.29Å; L995-Y997 PolarHBondContact O-N 3.36Å; Y997-V1000 WeakPolarHBondContact O-CG2 3.26Å; Y997-S1001 VanDerWaalsContact O-CB 3.26Å; Y997-S1001 WeakPolarHBondContact O-CB 3.48Å; Y997-S1001 PolarHBondContact O-N 3.45Å; Y997-S1001 PolarHBondContact O-OG 2.92Å |
| 998 | V | 95.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63 | -49.6 | 174.8 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | L899 M902 L994 L995 V996 V1000 S1001 L1002 I1031 F1053 | L899-V998 HydrophobicContact CD2-CG1 4.31Å; M902-V998 HydrophobicContact CE-CG2 4.41Å; M902-V998 HydrophobicContact CG-CG2 3.78Å; M902-V998 HydrophobicContact SD-CG2 4.42Å; L994-V998 HydrophobicContact CD1-CG2 4.39Å; L994-V998 WeakPolarHBondContact O-CG2 3.41Å; L994-V998 PolarHBondContact O-N 3.5Å; L995-V998 PolarHBondContact O-N 3.2Å; V996-V998 PolarHBondContact O-N 3.41Å; V998-V1000 PolarHBondContact O-N 3.21Å; V998-S1001 PolarHBondContact O-N 3.29Å; V998-S1001 VanDerWaalsContact O-N 3.12Å; V998-L1002 WeakPolarHBondContact O-CG 3.34Å; V998-L1002 PolarHBondContact O-N 3.23Å; V998-L1002 VanDerWaalsContact O-N 3.11Å; V998-I1031 HydrophobicContact CG1-CD1 4.1Å; V998-I1031 HydrophobicContact CG1-CG1 4.25Å; V998-F1053 HydrophobicContact CB-CE2 4.16Å; V998-F1053 HydrophobicContact CG1-CE2 3.98Å; V998-F1053 HydrophobicContact CG1-CZ 4.29Å |
| 999 | A | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.4 | -41.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L995 V996 S1001 F1053 L1056 A1057 T1060 | L995-A999 WeakPolarHBondContact O-CB 3.42Å; L995-A999 PolarHBondContact O-N 2.86Å; V996-A999 PolarHBondContact O-N 3.25Å; A999-S1001 VanDerWaalsContact C-N 3.31Å; A999-F1053 HydrophobicContact CB-CD2 3.82Å; A999-F1053 HydrophobicContact CB-CE2 3.67Å; A999-F1053 HydrophobicContact CB-CZ 4.47Å; A999-L1056 HydrophobicContact CB-CB 4.18Å; A999-L1056 HydrophobicContact CB-CD2 3.81Å; A999-L1056 HydrophobicContact CB-CG 3.85Å; A999-A1057 HydrophobicContact CB-CB 4.05Å; A999-T1060 PolarHBondContact O-OG1 3.41Å |
| 1000 | V | 92.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.024 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -77.7 | -18.6 | 179.5 | -57.7 | 0 | 0 | 0 | 0 | 113.3 | M875 M885 L892 V996 Y997 V998 P1003 L1056 T1060 | M875-V1000 HydrophobicContact SD-CB 4.31Å; M875-V1000 HydrophobicContact SD-CG1 4.18Å; M875-V1000 HydrophobicContact SD-CG2 3.87Å; M885-V1000 HydrophobicContact CE-CG1 3.9Å; L892-V1000 HydrophobicContact CD2-CG2 3.6Å; V996-V1000 HydrophobicContact CG1-CG1 4.46Å; V996-V1000 WeakPolarHBondContact O-CG1 3.42Å; V996-V1000 WeakPolarHBondContact O-CG2 3.33Å; V996-V1000 PolarHBondContact O-N 3.4Å; Y997-V1000 WeakPolarHBondContact O-CG2 3.26Å; V998-V1000 PolarHBondContact O-N 3.21Å; V1000-P1003 WeakPolarHBondContact O-CD 3.2Å; V1000-L1056 HydrophobicContact CG1-CD1 4.39Å; V1000-L1056 HydrophobicContact CG1-CD2 4.2Å; V1000-L1056 HydrophobicContact CG1-CG 4.37Å; V1000-T1060 HydrophobicContact CG1-CG2 4.19Å |
| 1001 | S | 93.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -87 | -27.9 | 178.9 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | G895 L899 Y997 V998 A999 P1003 T1004 | G895-S1001 WeakPolarHBondContact CA-OG 3.19Å; L899-S1001 WeakPolarHBondContact CD1-O 3.43Å; Y997-S1001 VanDerWaalsContact O-CB 3.26Å; Y997-S1001 WeakPolarHBondContact O-CB 3.48Å; Y997-S1001 PolarHBondContact O-N 3.45Å; Y997-S1001 PolarHBondContact O-OG 2.92Å; V998-S1001 PolarHBondContact O-N 3.29Å; V998-S1001 VanDerWaalsContact O-N 3.12Å; A999-S1001 VanDerWaalsContact C-N 3.31Å; S1001-P1003 VanDerWaalsContact C-N 3.28Å; S1001-P1003 WeakPolarHBondContact O-CD 3.25Å; S1001-T1004 WeakPolarHBondContact O-CB 3.38Å; S1001-T1004 PolarHBondContact O-N 3.46Å; S1001-T1004 PolarHBondContact O-OG1 3.39Å |
| 1002 | L | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -44.4 | -40.5 | -179.2 | -68.9 | 176.4 | 0 | 0 | 0 | 115.6 | L899 V998 T1004 L1005 L1027 F1053 A1057 L1061 L1082 | L899-L1002 HydrophobicContact CD2-CD2 3.95Å; V998-L1002 WeakPolarHBondContact O-CG 3.34Å; V998-L1002 PolarHBondContact O-N 3.23Å; V998-L1002 VanDerWaalsContact O-N 3.11Å; L1002-T1004 PolarHBondContact O-N 3.03Å; L1002-L1005 HydrophobicContact CD2-CD1 4.15Å; L1002-L1005 WeakPolarHBondContact O-CB 3.27Å; L1002-L1005 PolarHBondContact O-N 3.49Å; L1002-L1005 VanDerWaalsContact O-N 3.15Å; L1002-L1027 HydrophobicContact CD2-CD1 4.14Å; L1002-F1053 HydrophobicContact CD1-CZ 4.37Å; L1002-A1057 HydrophobicContact CD1-CB 3.92Å; L1002-L1061 HydrophobicContact CB-CD2 4.44Å; L1002-L1061 HydrophobicContact CD1-CD1 4.48Å; L1002-L1082 HydrophobicContact CD2-CD1 4.37Å |
| 1003 | P | 89.3 | Confident | 90.9 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.032 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -61.4 | -23.3 | 178.5 | -24.6 | 35.3 | 0 | 0 | 0 | 114.9 | V1000 S1001 L1005 A1006 L1061 L1064 | V1000-P1003 WeakPolarHBondContact O-CD 3.2Å; S1001-P1003 VanDerWaalsContact C-N 3.28Å; S1001-P1003 WeakPolarHBondContact O-CD 3.25Å; P1003-L1005 PolarHBondContact O-N 3.45Å; P1003-A1006 WeakPolarHBondContact O-CB 3.33Å; P1003-A1006 PolarHBondContact O-N 2.87Å; P1003-L1061 HydrophobicContact CG-CD2 4.15Å; P1003-L1064 HydrophobicContact CB-CD1 4.42Å; P1003-L1064 HydrophobicContact CB-CD2 4.18Å |
| 1004 | T | 88.9 | Confident | 90.7 | Very high | 36 Ų | 36 | 26.8 Ų | 26.8 | 22% | 0.221 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -67.7 | -24.1 | 178.4 | 66.9 | 0 | 0 | 0 | 0 | 112 | S1001 L1002 A1006 L1007 | S1001-T1004 WeakPolarHBondContact O-CB 3.38Å; S1001-T1004 PolarHBondContact O-N 3.46Å; S1001-T1004 PolarHBondContact O-OG1 3.39Å; L1002-T1004 PolarHBondContact O-N 3.03Å; T1004-A1006 PolarHBondContact O-N 3.01Å; T1004-L1007 WeakPolarHBondContact O-CB 3.41Å; T1004-L1007 PolarHBondContact O-N 2.73Å; T1004-L1007 VanDerWaalsContact O-N 3.13Å |
| 1005 | L | 90 | Very high | 90.2 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 7% | 0.073 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -62.8 | -23 | 176.5 | -63.5 | 175.3 | 0 | 0 | 0 | 112.8 | L899 L1002 P1003 L1007 D1008 S1011 I1024 L1027 I1079 L1082 | L899-L1005 HydrophobicContact CB-CD2 4.4Å; L899-L1005 HydrophobicContact CD1-CD1 4.26Å; L899-L1005 HydrophobicContact CD1-CD2 3.81Å; L899-L1005 HydrophobicContact CD1-CG 3.76Å; L899-L1005 HydrophobicContact CD2-CD1 4.44Å; L1002-L1005 HydrophobicContact CD2-CD1 4.15Å; L1002-L1005 WeakPolarHBondContact O-CB 3.27Å; L1002-L1005 PolarHBondContact O-N 3.49Å; L1002-L1005 VanDerWaalsContact O-N 3.15Å; P1003-L1005 PolarHBondContact O-N 3.45Å; L1005-L1007 PolarHBondContact O-N 3Å; L1005-D1008 PolarHBondContact O-N 2.83Å; L1005-S1011 WeakPolarHBondContact O-CB 3.45Å; L1005-S1011 PolarHBondContact O-OG 2.66Å; L1005-I1024 HydrophobicContact CB-CD1 4.36Å; L1005-I1024 HydrophobicContact CD1-CB 4.26Å; L1005-I1024 HydrophobicContact CD1-CD1 4.12Å; L1005-I1024 HydrophobicContact CD1-CG2 4.11Å; L1005-I1024 HydrophobicContact CD2-CG2 3.96Å; L1005-L1027 HydrophobicContact CD1-CD1 3.92Å; L1005-I1079 HydrophobicContact CB-CD1 3.49Å; L1005-I1079 VanDerWaalsContact CB-CD1 3.49Å; L1005-I1079 HydrophobicContact CB-CG1 4.15Å; L1005-L1082 HydrophobicContact CD1-CD1 3.95Å |
| 1006 | A | 87.3 | Confident | 89.7 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -67 | -16.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1003 T1004 L1064 V1073 N1075 I1079 | P1003-A1006 WeakPolarHBondContact O-CB 3.33Å; P1003-A1006 PolarHBondContact O-N 2.87Å; T1004-A1006 PolarHBondContact O-N 3.01Å; A1006-L1064 HydrophobicContact CB-CD2 3.85Å; A1006-V1073 HydrophobicContact CB-CG1 3.84Å; A1006-N1075 PolarHBondContact O-N 3.39Å; A1006-I1079 HydrophobicContact CB-CG1 3.98Å |
| 1007 | L | 85.7 | Confident | 89.3 | Confident | 107 Ų | 107 | 38.4 Ų | 38.4 | 56% | 0.56 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -85.7 | -24.9 | 177 | -61.7 | 168.4 | 0 | 0 | 0 | 112.8 | T1004 L1005 E1072 | T1004-L1007 WeakPolarHBondContact O-CB 3.41Å; T1004-L1007 PolarHBondContact O-N 2.73Å; T1004-L1007 VanDerWaalsContact O-N 3.13Å; L1005-L1007 PolarHBondContact O-N 3Å; L1007-E1072 HydrophobicContact CD2-CB 4.43Å; L1007-E1072 WeakPolarHBondContact CD2-O 3.42Å |
| 1008 | D | 87 | Confident | 88.9 | Confident | 54 Ų | 54 | 39 Ų | 39 | 29% | 0.289 | 21% | 0.209 | S | C | . | . | trans | -77 | 121.4 | -179.3 | 177.2 | 0.2 | 0 | 0 | 0 | 110 | L1005 N1010 S1011 N1022 N1075 | L1005-D1008 PolarHBondContact O-N 2.83Å; D1008-N1010 PolarHBondContact O-N 2.87Å; D1008-N1010 WeakPolarHBondContact OD1-CB 3.47Å; D1008-N1010 PolarHBondContact OD1-N 2.87Å; D1008-S1011 VanDerWaalsContact O-CB 3.31Å; D1008-S1011 WeakPolarHBondContact O-CB 3.43Å; D1008-S1011 PolarHBondContact O-N 3.27Å; D1008-S1011 VanDerWaalsContact O-N 3.09Å; D1008-S1011 PolarHBondContact O-OG 3.1Å; D1008-N1022 PolarHBondContact OD2-ND2 3.47Å; D1008-N1075 PolarHBondContact O-ND2 3.1Å | ||
| 1009 | P | 84.1 | Confident | 88.7 | Confident | 96 Ų | 96 | 38.9 Ų | 38.9 | 62% | 0.623 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -59.7 | -27 | 178.3 | 25.1 | -35.2 | 0 | 0 | 0 | 113.5 | S1011 N1075 | P1009-S1011 VanDerWaalsContact C-N 3.26Å; P1009-S1011 PolarHBondContact O-N 2.84Å; P1009-N1075 PolarHBondContact O-ND2 2.85Å |
| 1010 | N | 87.9 | Confident | 88.7 | Confident | 78 Ų | 78 | 38.9 Ų | 38.9 | 42% | 0.417 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -80.3 | -5.5 | 179.4 | -63.9 | -42.8 | 0 | 0 | 0 | 113.5 | D1008 L1012 N1021 N1022 | D1008-N1010 PolarHBondContact O-N 2.87Å; D1008-N1010 WeakPolarHBondContact OD1-CB 3.47Å; D1008-N1010 PolarHBondContact OD1-N 2.87Å; N1010-L1012 PolarHBondContact O-N 3.42Å; N1010-N1021 WeakPolarHBondContact O-CB 3.19Å; N1010-N1021 PolarHBondContact O-N 3.3Å; N1010-N1022 HydrophobicContact CB-CB 3.75Å; N1010-N1022 PolarHBondContact O-N 2.94Å; N1010-N1022 PolarHBondContact O-OD1 2.98Å |
| 1011 | S | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -77.8 | 13.5 | 173.3 | -60.8 | 0 | 0 | 0 | 0 | 113.8 | L1005 D1008 P1009 H1020 N1022 S1078 | L1005-S1011 WeakPolarHBondContact O-CB 3.45Å; L1005-S1011 PolarHBondContact O-OG 2.66Å; D1008-S1011 VanDerWaalsContact O-CB 3.31Å; D1008-S1011 WeakPolarHBondContact O-CB 3.43Å; D1008-S1011 PolarHBondContact O-N 3.27Å; D1008-S1011 VanDerWaalsContact O-N 3.09Å; D1008-S1011 PolarHBondContact O-OG 3.1Å; P1009-S1011 VanDerWaalsContact C-N 3.26Å; P1009-S1011 PolarHBondContact O-N 2.84Å; S1011-H1020 PolarHBondContact O-CD2 3.42Å; S1011-N1022 PolarHBondContact N-ND2 3Å; S1011-N1022 PolarHBondContact OG-ND2 3.41Å; S1011-S1078 WeakPolarHBondContact O-CB 3.4Å |
| 1012 | L | 89.4 | Confident | 88.5 | Confident | 78 Ų | 78 | 41 Ų | 41 | 41% | 0.408 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -71.2 | 129.9 | 173.6 | -175.3 | 68.3 | 0 | 0 | 0 | 109.7 | N1010 H1020 N1021 | N1010-L1012 PolarHBondContact O-N 3.42Å; L1012-H1020 WeakPolarHBondContact O-CA 3.36Å; L1012-N1021 PolarHBondContact O-N 2.58Å |
| 1013 | Y | 90.3 | Very high | 88.6 | Confident | 27 Ų | 27 | 41 Ų | 41 | 11% | 0.106 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 125.8 | 172.4 | -175.5 | -95.1 | 0 | 0 | 0 | 110.5 | G1018 H1020 S1078 L1081 M1085 V1114 | Y1013-G1018 VanDerWaalsContact CE2-C 3.43Å; Y1013-G1018 WeakPolarHBondContact CE2-O 3.49Å; Y1013-G1018 VanDerWaalsContact OH-C 3.25Å; Y1013-G1018 WeakPolarHBondContact OH-CA 3.4Å; Y1013-G1018 PolarHBondContact OH-O 3.34Å; Y1013-G1018 VanDerWaalsContact OH-O 3.12Å; Y1013-H1020 AromaticContact CD2-CE1 3.96Å; Y1013-H1020 AromaticContact CD2-NE2 3.95Å; Y1013-S1078 PolarHBondContact N-OG 3.38Å; Y1013-L1081 HydrophobicContact CD1-CD1 3.93Å; Y1013-L1081 HydrophobicContact CD2-CD1 4.01Å; Y1013-L1081 HydrophobicContact CE1-CD1 4.38Å; Y1013-L1081 HydrophobicContact CE2-CD1 4.48Å; Y1013-L1081 HydrophobicContact CG-CD1 3.7Å; Y1013-M1085 HydrophobicContact CD2-CE 3.72Å; Y1013-M1085 HydrophobicContact CE2-CE 3.24Å; Y1013-V1114 HydrophobicContact CD1-CB 4.15Å; Y1013-V1114 HydrophobicContact CD1-CG2 3.63Å; Y1013-V1114 HydrophobicContact CE1-CG2 4.31Å; Y1013-V1114 HydrophobicContact CG-CG2 4.42Å |
| 1014 | S | 88.4 | Confident | 88.9 | Confident | 26 Ų | 26 | 41 Ų | 41 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.4 | 175.1 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | E1016 H1017 G1018 G1019 | S1014-E1016 VanDerWaalsContact C-N 3.29Å; S1014-E1016 PolarHBondContact O-N 3.21Å; S1014-E1016 PolarHBondContact OG-N 3.28Å; S1014-H1017 PolarHBondContact O-N 2.97Å; S1014-H1017 PolarHBondContact OG-N 3.41Å; S1014-G1018 WeakPolarHBondContact O-CA 3.37Å; S1014-G1018 PolarHBondContact O-N 3.43Å; S1014-G1019 PolarHBondContact N-O 3.29Å; S1014-G1019 PolarHBondContact O-N 2.93Å |
| 1015 | Q | 84.6 | Confident | 89.2 | Confident | 95 Ų | 95 | 39.9 Ų | 39.9 | 44% | 0.444 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -39.2 | 171.2 | 171.4 | 175.1 | 3.5 | 0 | 0 | 111.8 | H1017 G1018 H1115 | Q1015-H1017 VanDerWaalsContact C-N 3.27Å; Q1015-H1017 PolarHBondContact O-N 3.12Å; Q1015-G1018 PolarHBondContact O-N 3.46Å; Q1015-H1115 PolarHBondContact OE1-ND1 2.86Å |
| 1016 | E | 84.9 | Confident | 89.5 | Confident | 147 Ų | 147 | 39.3 Ų | 39.3 | 69% | 0.687 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -41.8 | -178.9 | -176.1 | 173.4 | -172.9 | 0 | 0 | 110.6 | T805 S1014 | T805-E1016 WeakPolarHBondContact CB-O 3.41Å; S1014-E1016 VanDerWaalsContact C-N 3.29Å; S1014-E1016 PolarHBondContact O-N 3.21Å; S1014-E1016 PolarHBondContact OG-N 3.28Å |
| 1017 | H | 85.4 | Confident | 89.9 | Confident | 34 Ų | 34 | 39.2 Ų | 39.2 | 16% | 0.157 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -22.6 | 178.7 | -58 | 156.9 | 0 | 0 | 0 | 113.4 | C803 P804 T805 S1014 Q1015 G1019 N1021 | C803-H1017 CarbonylContact C-O 3.5Å; C803-H1017 WeakPolarHBondContact CA-O 3.27Å; C803-H1017 VanDerWaalsContact SG-CA 3.55Å; C803-H1017 PolarHBondContact SG-O 3.34Å; P804-H1017 WeakPolarHBondContact CD-O 3.32Å; T805-H1017 PolarHBondContact N-O 2.95Å; T805-H1017 VanDerWaalsContact OG1-C 3.31Å; T805-H1017 PolarHBondContact OG1-O 3.43Å; S1014-H1017 PolarHBondContact O-N 2.97Å; S1014-H1017 PolarHBondContact OG-N 3.41Å; Q1015-H1017 VanDerWaalsContact C-N 3.27Å; Q1015-H1017 PolarHBondContact O-N 3.12Å; H1017-G1019 PolarHBondContact O-N 3.14Å; H1017-N1021 PolarHBondContact ND1-OD1 3.01Å |
| 1018 | G | 87.4 | Confident | 90.3 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 12% | 0.124 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 17.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T805 Y1013 S1014 Q1015 | T805-G1018 WeakPolarHBondContact OG1-CA 3.43Å; T805-G1018 PolarHBondContact OG1-N 3.01Å; T805-G1018 VanDerWaalsContact OG1-N 3.13Å; Y1013-G1018 VanDerWaalsContact CE2-C 3.43Å; Y1013-G1018 WeakPolarHBondContact CE2-O 3.49Å; Y1013-G1018 VanDerWaalsContact OH-C 3.25Å; Y1013-G1018 WeakPolarHBondContact OH-CA 3.4Å; Y1013-G1018 PolarHBondContact OH-O 3.34Å; Y1013-G1018 VanDerWaalsContact OH-O 3.12Å; S1014-G1018 WeakPolarHBondContact O-CA 3.37Å; S1014-G1018 PolarHBondContact O-N 3.43Å; Q1015-G1018 PolarHBondContact O-N 3.46Å |
| 1019 | G | 91.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | -177.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1014 H1017 | S1014-G1019 PolarHBondContact N-O 3.29Å; S1014-G1019 PolarHBondContact O-N 2.93Å; H1017-G1019 PolarHBondContact O-N 3.14Å |
| 1020 | H | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 150.9 | -179.7 | -44.5 | 80.1 | 0 | 0 | 0 | 113.6 | S1011 L1012 Y1013 N1022 N1023 I1024 H1025 S1078 L1082 | S1011-H1020 PolarHBondContact O-CD2 3.42Å; L1012-H1020 WeakPolarHBondContact O-CA 3.36Å; Y1013-H1020 AromaticContact CD2-CE1 3.96Å; Y1013-H1020 AromaticContact CD2-NE2 3.95Å; H1020-N1022 VanDerWaalsContact C-N 3.26Å; H1020-N1022 PolarHBondContact O-N 2.88Å; H1020-N1023 PolarHBondContact O-N 3.46Å; H1020-N1023 VanDerWaalsContact O-N 3.11Å; H1020-I1024 HydrophobicContact CB-CD1 4.14Å; H1020-I1024 HydrophobicContact CB-CG1 3.54Å; H1020-H1025 PolarHBondContact N-ND1 3.5Å; H1020-H1025 VanDerWaalsContact N-ND1 3.12Å; H1020-H1025 VanDerWaalsContact ND1-CB 3.34Å; H1020-H1025 WeakPolarHBondContact ND1-CB 3.48Å; H1020-H1025 PolarHBondContact ND1-N 3.05Å; H1020-H1025 AromaticContact ND1-ND1 3.98Å; H1020-S1078 PolarHBondContact NE2-O 3.39Å; H1020-L1082 VanDerWaalsContact CE1-CD2 3.49Å; H1020-L1082 WeakPolarHBondContact CE1-CD2 3.23Å |
| 1021 | N | 89.4 | Confident | 91.7 | Very high | 40 Ų | 40 | 24.1 Ų | 24.1 | 21% | 0.214 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -12.9 | -175.3 | -65.9 | -22.6 | 0 | 0 | 0 | 115 | V801 Q812 N1010 L1012 H1017 | V801-N1021 WeakPolarHBondContact CG2-O 3.4Å; Q812-N1021 PolarHBondContact NE2-O 3.32Å; N1010-N1021 WeakPolarHBondContact O-CB 3.19Å; N1010-N1021 PolarHBondContact O-N 3.3Å; L1012-N1021 PolarHBondContact O-N 2.58Å; H1017-N1021 PolarHBondContact ND1-OD1 3.01Å |
| 1022 | N | 91.1 | Very high | 91.9 | Very high | 10 Ų | 10 | 24.2 Ų | 24.2 | 5% | 0.053 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 18 | 172.9 | 58.2 | 1.3 | 0 | 0 | 0 | 113.1 | D1008 N1010 S1011 H1020 I1024 | D1008-N1022 PolarHBondContact OD2-ND2 3.47Å; N1010-N1022 HydrophobicContact CB-CB 3.75Å; N1010-N1022 PolarHBondContact O-N 2.94Å; N1010-N1022 PolarHBondContact O-OD1 2.98Å; S1011-N1022 PolarHBondContact N-ND2 3Å; S1011-N1022 PolarHBondContact OG-ND2 3.41Å; H1020-N1022 VanDerWaalsContact C-N 3.26Å; H1020-N1022 PolarHBondContact O-N 2.88Å; N1022-I1024 PolarHBondContact O-N 3.5Å; N1022-I1024 VanDerWaalsContact OD1-CG1 3.31Å; N1022-I1024 WeakPolarHBondContact OD1-CG1 3.17Å; N1022-I1024 WeakPolarHBondContact OD1-CG2 3.47Å |
| 1023 | N | 94.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 64.7 | 10.9 | 178.3 | -64.9 | -46 | 0 | 0 | 0 | 116.6 | I800 V801 H802 T903 V907 H1020 H1025 C1026 | I800-N1023 PolarHBondContact O-ND2 3.16Å; V801-N1023 VanDerWaalsContact CA-OD1 3.28Å; V801-N1023 WeakPolarHBondContact CA-OD1 3.22Å; V801-N1023 WeakPolarHBondContact CG1-OD1 3.33Å; H802-N1023 PolarHBondContact N-OD1 3.41Å; T903-N1023 HydrophobicContact CG2-CB 3.92Å; T903-N1023 WeakPolarHBondContact CG2-O 3.35Å; V907-N1023 HydrophobicContact CG2-CB 3.63Å; H1020-N1023 PolarHBondContact O-N 3.46Å; H1020-N1023 VanDerWaalsContact O-N 3.11Å; N1023-H1025 PolarHBondContact O-N 3.4Å; N1023-H1025 VanDerWaalsContact O-N 3.08Å; N1023-C1026 WeakPolarHBondContact O-CB 3.49Å; N1023-C1026 PolarHBondContact O-N 2.88Å |
| 1024 | I | 95.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.015 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -62.8 | -20.2 | -177.8 | 62 | 178.4 | 0 | 0 | 0 | 114.3 | L1005 H1020 N1022 C1026 L1027 I1079 L1082 | L1005-I1024 HydrophobicContact CB-CD1 4.36Å; L1005-I1024 HydrophobicContact CD1-CB 4.26Å; L1005-I1024 HydrophobicContact CD1-CD1 4.12Å; L1005-I1024 HydrophobicContact CD1-CG2 4.11Å; L1005-I1024 HydrophobicContact CD2-CG2 3.96Å; H1020-I1024 HydrophobicContact CB-CD1 4.14Å; H1020-I1024 HydrophobicContact CB-CG1 3.54Å; N1022-I1024 PolarHBondContact O-N 3.5Å; N1022-I1024 VanDerWaalsContact OD1-CG1 3.31Å; N1022-I1024 WeakPolarHBondContact OD1-CG1 3.17Å; N1022-I1024 WeakPolarHBondContact OD1-CG2 3.47Å; I1024-C1026 PolarHBondContact O-N 3.39Å; I1024-L1027 HydrophobicContact CB-CD1 4.04Å; I1024-L1027 HydrophobicContact CG2-CD1 4.41Å; I1024-L1027 WeakPolarHBondContact O-CB 3.41Å; I1024-L1027 VanDerWaalsContact O-CG 3.22Å; I1024-L1027 WeakPolarHBondContact O-CG 3.47Å; I1024-L1027 PolarHBondContact O-N 3.24Å; I1024-I1079 HydrophobicContact CD1-CD1 3.53Å; I1024-L1082 HydrophobicContact CD1-CD1 4.22Å; I1024-L1082 HydrophobicContact CG1-CD1 4.45Å; I1024-L1082 HydrophobicContact CG1-CD2 4.27Å; I1024-L1082 VanDerWaalsContact O-CD2 3.29Å; I1024-L1082 WeakPolarHBondContact O-CD2 3.36Å |
| 1025 | H | 94.6 | Very high | 92.7 | Very high | 14 Ų | 14 | 20.1 Ų | 20.1 | 7% | 0.065 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -56.9 | -28.3 | 168.7 | 58.7 | -81.4 | 0 | 0 | 0 | 112.6 | H802 H1020 N1023 L1027 A1028 M1085 | H802-H1025 AromaticContact CG-NE2 3.83Å; H802-H1025 AromaticContact ND1-CD2 3.82Å; H802-H1025 AromaticContact ND1-NE2 3.27Å; H802-H1025 PolarHBondContact ND1-NE2 3.49Å; H802-H1025 PolarHBondContact O-CE1 3.12Å; H802-H1025 PolarHBondContact O-NE2 3.02Å; H802-H1025 VanDerWaalsContact O-NE2 3.16Å; H1020-H1025 PolarHBondContact N-ND1 3.5Å; H1020-H1025 VanDerWaalsContact N-ND1 3.12Å; H1020-H1025 VanDerWaalsContact ND1-CB 3.34Å; H1020-H1025 WeakPolarHBondContact ND1-CB 3.48Å; H1020-H1025 PolarHBondContact ND1-N 3.05Å; H1020-H1025 AromaticContact ND1-ND1 3.98Å; N1023-H1025 PolarHBondContact O-N 3.4Å; N1023-H1025 VanDerWaalsContact O-N 3.08Å; H1025-L1027 PolarHBondContact O-N 2.92Å; H1025-A1028 WeakPolarHBondContact O-CB 3.37Å; H1025-A1028 PolarHBondContact O-N 2.88Å; H1025-M1085 HydrophobicContact CB-CE 4.43Å; H1025-M1085 HydrophobicContact CB-SD 3.6Å |
| 1026 | C | 95.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.014 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -68.8 | -13.3 | 175.6 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | G906 V907 N1023 I1024 A1028 A1029 A1030 | G906-C1026 VanDerWaalsContact C-CB 3.49Å; G906-C1026 WeakPolarHBondContact CA-O 3.36Å; V907-C1026 HydrophobicContact CG2-CB 4.23Å; N1023-C1026 WeakPolarHBondContact O-CB 3.49Å; N1023-C1026 PolarHBondContact O-N 2.88Å; I1024-C1026 PolarHBondContact O-N 3.39Å; C1026-A1028 PolarHBondContact O-N 3.45Å; C1026-A1029 PolarHBondContact O-N 3.36Å; C1026-A1030 PolarHBondContact O-N 3.38Å |
| 1027 | L | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58.5 | -28.7 | 172.5 | -70.6 | 171.5 | 0 | 0 | 0 | 112 | L899 M902 L1002 L1005 I1024 H1025 A1030 I1031 L1082 | L899-L1027 HydrophobicContact CD2-CD1 4.31Å; M902-L1027 HydrophobicContact CB-CD2 3.51Å; L1002-L1027 HydrophobicContact CD2-CD1 4.14Å; L1005-L1027 HydrophobicContact CD1-CD1 3.92Å; I1024-L1027 HydrophobicContact CB-CD1 4.04Å; I1024-L1027 HydrophobicContact CG2-CD1 4.41Å; I1024-L1027 WeakPolarHBondContact O-CB 3.41Å; I1024-L1027 VanDerWaalsContact O-CG 3.22Å; I1024-L1027 WeakPolarHBondContact O-CG 3.47Å; I1024-L1027 PolarHBondContact O-N 3.24Å; H1025-L1027 PolarHBondContact O-N 2.92Å; L1027-A1030 PolarHBondContact O-N 3.44Å; L1027-I1031 HydrophobicContact CB-CD1 4.22Å; L1027-I1031 WeakPolarHBondContact O-CB 3.24Å; L1027-I1031 WeakPolarHBondContact O-CD1 3.41Å; L1027-I1031 VanDerWaalsContact O-CG1 3.22Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.23Å; L1027-I1031 PolarHBondContact O-N 2.91Å; L1027-L1082 HydrophobicContact CD1-CD1 4.41Å |
| 1028 | A | 95.2 | Very high | 93.9 | Very high | 6 Ų | 6 | 7.4 Ų | 7.4 | 5% | 0.05 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -54.8 | -54.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H1025 C1026 A1030 I1031 N1032 M1085 I1086 D1089 | H1025-A1028 WeakPolarHBondContact O-CB 3.37Å; H1025-A1028 PolarHBondContact O-N 2.88Å; C1026-A1028 PolarHBondContact O-N 3.45Å; A1028-A1030 VanDerWaalsContact C-N 3.34Å; A1028-A1030 PolarHBondContact O-N 3.49Å; A1028-I1031 PolarHBondContact O-N 2.95Å; A1028-N1032 WeakPolarHBondContact O-CB 3.46Å; A1028-N1032 PolarHBondContact O-N 3.44Å; A1028-N1032 PolarHBondContact O-ND2 3.31Å; A1028-N1032 VanDerWaalsContact O-ND2 3.07Å; A1028-M1085 HydrophobicContact CB-CB 4.06Å; A1028-I1086 HydrophobicContact CB-CG1 4.07Å; A1028-D1089 HydrophobicContact CB-CB 4.26Å |
| 1029 | A | 94.9 | Very high | 94.2 | Very high | 11 Ų | 11 | 6.9 Ų | 6.9 | 9% | 0.091 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L909 C1026 Q1033 D1089 | L909-A1029 HydrophobicContact CB-CB 4.33Å; C1026-A1029 PolarHBondContact O-N 3.36Å; A1029-Q1033 WeakPolarHBondContact O-CB 2.95Å; A1029-Q1033 PolarHBondContact O-N 3.09Å; A1029-D1089 WeakPolarHBondContact CA-OD2 3.38Å |
| 1030 | A | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61.7 | -50.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M902 I905 C1026 L1027 A1028 L1034 | M902-A1030 HydrophobicContact CE-CB 3.76Å; M902-A1030 VanDerWaalsContact O-CB 3.23Å; M902-A1030 WeakPolarHBondContact O-CB 3.42Å; I905-A1030 HydrophobicContact CB-CB 4.34Å; I905-A1030 HydrophobicContact CG2-CB 4.08Å; C1026-A1030 PolarHBondContact O-N 3.38Å; L1027-A1030 PolarHBondContact O-N 3.44Å; A1028-A1030 VanDerWaalsContact C-N 3.34Å; A1028-A1030 PolarHBondContact O-N 3.49Å; A1030-L1034 WeakPolarHBondContact O-CB 3.44Å; A1030-L1034 PolarHBondContact O-N 2.75Å; A1030-L1034 VanDerWaalsContact O-N 3.07Å |
| 1031 | I | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63 | -48.4 | -178.5 | -69.5 | 159.7 | 0 | 0 | 0 | 109.4 | M902 V998 L1027 A1028 T1035 L1050 F1053 I1086 | M902-I1031 HydrophobicContact CE-CG1 4.08Å; V998-I1031 HydrophobicContact CG1-CD1 4.1Å; V998-I1031 HydrophobicContact CG1-CG1 4.25Å; L1027-I1031 HydrophobicContact CB-CD1 4.22Å; L1027-I1031 WeakPolarHBondContact O-CB 3.24Å; L1027-I1031 WeakPolarHBondContact O-CD1 3.41Å; L1027-I1031 VanDerWaalsContact O-CG1 3.22Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.23Å; L1027-I1031 PolarHBondContact O-N 2.91Å; A1028-I1031 PolarHBondContact O-N 2.95Å; I1031-T1035 WeakPolarHBondContact O-CB 3.5Å; I1031-T1035 PolarHBondContact O-N 3.42Å; I1031-T1035 PolarHBondContact O-OG1 2.72Å; I1031-L1050 HydrophobicContact CG2-CD2 4.05Å; I1031-F1053 HydrophobicContact CD1-CE1 4.03Å; I1031-F1053 HydrophobicContact CD1-CE2 4.4Å; I1031-F1053 HydrophobicContact CD1-CZ 3.55Å; I1031-F1053 HydrophobicContact CG1-CZ 4.18Å; I1031-F1053 HydrophobicContact CG2-CD1 4.04Å; I1031-F1053 HydrophobicContact CG2-CE1 3.76Å; I1031-F1053 HydrophobicContact CG2-CE2 4.49Å; I1031-F1053 HydrophobicContact CG2-CZ 4.01Å; I1031-I1086 HydrophobicContact CD1-CD1 3.68Å; I1031-I1086 HydrophobicContact CD1-CG1 4.07Å; I1031-I1086 HydrophobicContact CG2-CG2 4.47Å |
| 1032 | N | 95.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 7.9 Ų | 7.9 | 2% | 0.016 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -65.5 | -55.9 | -176.7 | -74 | -43 | 0 | 0 | 0 | 112.2 | A1028 A1036 I1086 D1089 S1090 | A1028-N1032 WeakPolarHBondContact O-CB 3.46Å; A1028-N1032 PolarHBondContact O-N 3.44Å; A1028-N1032 PolarHBondContact O-ND2 3.31Å; A1028-N1032 VanDerWaalsContact O-ND2 3.07Å; N1032-A1036 WeakPolarHBondContact O-CB 3.25Å; N1032-A1036 PolarHBondContact O-N 2.94Å; N1032-I1086 PolarHBondContact ND2-O 2.88Å; N1032-D1089 PolarHBondContact ND2-OD2 2.87Å; N1032-S1090 PolarHBondContact ND2-N 3.23Å; N1032-S1090 WeakPolarHBondContact OD1-CB 3.32Å; N1032-S1090 PolarHBondContact OD1-OG 3.13Å |
| 1033 | Q | 95 | Very high | 93.9 | Very high | 37 Ų | 37 | 14 Ų | 14 | 17% | 0.173 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -74.7 | -37.5 | -171.3 | -62 | -159.7 | 8.5 | 0 | 0 | 113.1 | L909 L970 A1029 T1035 A1036 A1037 | L909-Q1033 HydrophobicContact CD1-CB 4.03Å; L970-Q1033 HydrophobicContact CD2-CB 4.15Å; A1029-Q1033 WeakPolarHBondContact O-CB 2.95Å; A1029-Q1033 PolarHBondContact O-N 3.09Å; Q1033-T1035 VanDerWaalsContact C-N 3.32Å; Q1033-T1035 PolarHBondContact O-N 2.64Å; Q1033-A1036 PolarHBondContact O-N 3.17Å; Q1033-A1037 WeakPolarHBondContact O-CB 3.29Å; Q1033-A1037 PolarHBondContact O-N 3.27Å |
| 1034 | L | 94.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 177.6 | -170.4 | 62.8 | 0 | 0 | 0 | 111.2 | V858 M902 I905 I974 L994 A1030 A1037 M1038 | V858-L1034 HydrophobicContact CG2-CD1 3.66Å; V858-L1034 HydrophobicContact CG2-CD2 4.08Å; M902-L1034 HydrophobicContact CE-CD2 4.25Å; M902-L1034 HydrophobicContact SD-CD2 3.93Å; I905-L1034 HydrophobicContact CD1-CD2 4.21Å; I974-L1034 HydrophobicContact CD1-CD1 3.98Å; L994-L1034 HydrophobicContact CD2-CD2 4.31Å; A1030-L1034 WeakPolarHBondContact O-CB 3.44Å; A1030-L1034 PolarHBondContact O-N 2.75Å; A1030-L1034 VanDerWaalsContact O-N 3.07Å; L1034-A1037 PolarHBondContact O-N 2.94Å; L1034-M1038 HydrophobicContact CD1-CE 3.81Å; L1034-M1038 HydrophobicContact CD1-CG 4.48Å; L1034-M1038 HydrophobicContact CD2-CE 3.9Å; L1034-M1038 HydrophobicContact CG-CE 3.74Å; L1034-M1038 HydrophobicContact CG-CG 4.44Å; L1034-M1038 HydrophobicContact CG-SD 4.03Å; L1034-M1038 WeakPolarHBondContact O-CB 3.49Å; L1034-M1038 VanDerWaalsContact O-CG 3.3Å; L1034-M1038 WeakPolarHBondContact O-CG 3.47Å; L1034-M1038 PolarHBondContact O-N 3.35Å |
| 1035 | T | 94.6 | Very high | 93.5 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 3% | 0.025 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.1 | -49.6 | 175.1 | -61.5 | 0 | 0 | 0 | 0 | 111 | L995 I1031 Q1033 A1037 M1038 F1039 I1046 L1050 | L995-T1035 HydrophobicContact CD1-CG2 4.08Å; L995-T1035 WeakPolarHBondContact CD2-OG1 3.35Å; I1031-T1035 WeakPolarHBondContact O-CB 3.5Å; I1031-T1035 PolarHBondContact O-N 3.42Å; I1031-T1035 PolarHBondContact O-OG1 2.72Å; Q1033-T1035 VanDerWaalsContact C-N 3.32Å; Q1033-T1035 PolarHBondContact O-N 2.64Å; T1035-A1037 VanDerWaalsContact C-N 3.28Å; T1035-A1037 PolarHBondContact O-N 3.39Å; T1035-M1038 PolarHBondContact O-N 3.48Å; T1035-F1039 HydrophobicContact CG2-CD2 3.47Å; T1035-F1039 VanDerWaalsContact CG2-CD2 3.47Å; T1035-F1039 HydrophobicContact CG2-CE2 3.64Å; T1035-F1039 WeakPolarHBondContact O-CD2 3.44Å; T1035-F1039 PolarHBondContact O-N 2.87Å; T1035-I1046 HydrophobicContact CG2-CG2 4.39Å; T1035-L1050 HydrophobicContact CG2-CD1 4.31Å; T1035-L1050 HydrophobicContact CG2-CD2 3.63Å; T1035-L1050 HydrophobicContact CG2-CG 3.64Å |
| 1036 | A | 93.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.3 | -45.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | N1032 Q1033 T1040 I1046 F1092 | N1032-A1036 WeakPolarHBondContact O-CB 3.25Å; N1032-A1036 PolarHBondContact O-N 2.94Å; Q1033-A1036 PolarHBondContact O-N 3.17Å; A1036-T1040 WeakPolarHBondContact O-CB 3.48Å; A1036-T1040 PolarHBondContact O-N 2.95Å; A1036-T1040 PolarHBondContact O-OG1 3.39Å; A1036-I1046 HydrophobicContact CB-CD1 4.31Å; A1036-I1046 HydrophobicContact CB-CG2 4.28Å; A1036-F1092 HydrophobicContact CB-CE2 3.84Å; A1036-F1092 HydrophobicContact CB-CZ 4.25Å |
| 1037 | A | 94 | Very high | 93.3 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.7 | -51.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L970 V971 I974 Q1033 L1034 T1035 F1039 T1040 V1041 | L970-A1037 HydrophobicContact CB-CB 4.17Å; L970-A1037 HydrophobicContact CD2-CB 3.77Å; L970-A1037 HydrophobicContact CG-CB 3.62Å; V971-A1037 HydrophobicContact CG2-CB 3.98Å; I974-A1037 HydrophobicContact CG1-CB 4.43Å; Q1033-A1037 WeakPolarHBondContact O-CB 3.29Å; Q1033-A1037 PolarHBondContact O-N 3.27Å; L1034-A1037 PolarHBondContact O-N 2.94Å; T1035-A1037 VanDerWaalsContact C-N 3.28Å; T1035-A1037 PolarHBondContact O-N 3.39Å; A1037-F1039 PolarHBondContact O-N 3.16Å; A1037-T1040 PolarHBondContact O-N 3.1Å; A1037-V1041 WeakPolarHBondContact O-CG2 3.44Å; A1037-V1041 PolarHBondContact O-N 3.35Å; A1037-V1041 VanDerWaalsContact O-N 3.08Å |
| 1038 | M | 93.2 | Very high | 93.2 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.03 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -48 | -178.5 | -75 | 178.1 | 171.3 | 0 | 0 | 112.2 | V858 I974 L994 L1034 T1035 T1040 V1041 Q1042 | V858-M1038 HydrophobicContact CG1-CE 3.5Å; V858-M1038 VanDerWaalsContact CG1-CE 3.5Å; V858-M1038 HydrophobicContact CG2-CE 4.41Å; I974-M1038 HydrophobicContact CG2-CG 4.24Å; L994-M1038 HydrophobicContact CD2-CE 3.96Å; L994-M1038 HydrophobicContact CD2-SD 4.29Å; L1034-M1038 HydrophobicContact CD1-CE 3.81Å; L1034-M1038 HydrophobicContact CD1-CG 4.48Å; L1034-M1038 HydrophobicContact CD2-CE 3.9Å; L1034-M1038 HydrophobicContact CG-CE 3.74Å; L1034-M1038 HydrophobicContact CG-CG 4.44Å; L1034-M1038 HydrophobicContact CG-SD 4.03Å; L1034-M1038 WeakPolarHBondContact O-CB 3.49Å; L1034-M1038 VanDerWaalsContact O-CG 3.3Å; L1034-M1038 WeakPolarHBondContact O-CG 3.47Å; L1034-M1038 PolarHBondContact O-N 3.35Å; T1035-M1038 PolarHBondContact O-N 3.48Å; M1038-T1040 VanDerWaalsContact C-N 3.34Å; M1038-V1041 PolarHBondContact O-N 3.13Å; M1038-Q1042 VanDerWaalsContact O-CD 3.27Å; M1038-Q1042 VanDerWaalsContact O-CG 3.26Å; M1038-Q1042 WeakPolarHBondContact O-CG 3.22Å; M1038-Q1042 PolarHBondContact O-N 3.28Å; M1038-Q1042 VanDerWaalsContact O-N 3.07Å |
| 1039 | F | 93.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -77.8 | -20.4 | -177.3 | -65.8 | -62.5 | 0 | 0 | 0 | 113.1 | F988 L995 T1035 A1037 N1043 K1044 I1046 Q1049 | F988-F1039 AromaticContact CD2-CD1 3.9Å; F988-F1039 HydrophobicContact CD2-CD1 3.9Å; F988-F1039 AromaticContact CD2-CE1 3.6Å; F988-F1039 HydrophobicContact CD2-CE1 3.6Å; F988-F1039 AromaticContact CE2-CD1 3.82Å; F988-F1039 HydrophobicContact CE2-CD1 3.82Å; F988-F1039 AromaticContact CE2-CE1 3.5Å; F988-F1039 HydrophobicContact CE2-CE1 3.5Å; F988-F1039 VanDerWaalsContact CE2-CE1 3.5Å; L995-F1039 HydrophobicContact CD1-CE2 3.72Å; L995-F1039 HydrophobicContact CD1-CZ 4.15Å; T1035-F1039 HydrophobicContact CG2-CD2 3.47Å; T1035-F1039 VanDerWaalsContact CG2-CD2 3.47Å; T1035-F1039 HydrophobicContact CG2-CE2 3.64Å; T1035-F1039 WeakPolarHBondContact O-CD2 3.44Å; T1035-F1039 PolarHBondContact O-N 2.87Å; A1037-F1039 PolarHBondContact O-N 3.16Å; F1039-N1043 PolarHBondContact O-N 2.66Å; F1039-N1043 VanDerWaalsContact O-N 3.13Å; F1039-K1044 HydrophobicContact CB-CB 4.2Å; F1039-K1044 HydrophobicContact CD1-CB 3.98Å; F1039-K1044 HydrophobicContact CD1-CG 4.42Å; F1039-K1044 HydrophobicContact CG-CB 4.49Å; F1039-K1044 PolarHBondContact O-N 2.85Å; F1039-I1046 HydrophobicContact CB-CG1 4.11Å; F1039-Q1049 HydrophobicContact CD1-CG 3.97Å; F1039-Q1049 HydrophobicContact CD2-CB 3.99Å; F1039-Q1049 HydrophobicContact CD2-CG 3.96Å; F1039-Q1049 HydrophobicContact CE1-CG 3.86Å; F1039-Q1049 HydrophobicContact CE2-CB 3.78Å; F1039-Q1049 HydrophobicContact CE2-CG 3.89Å; F1039-Q1049 HydrophobicContact CG-CG 4.02Å; F1039-Q1049 HydrophobicContact CZ-CB 4.11Å; F1039-Q1049 HydrophobicContact CZ-CG 3.82Å |
| 1040 | T | 91.9 | Very high | 93.1 | Very high | 17 Ų | 17 | 30.9 Ų | 30.9 | 10% | 0.104 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.4 | -49.5 | 165.6 | -62.6 | 0 | 0 | 0 | 0 | 111 | I947 L951 I966 V971 A1036 A1037 M1038 Q1042 N1043 | I947-T1040 HydrophobicContact CD1-CG2 3.9Å; I947-T1040 HydrophobicContact CG1-CG2 3.9Å; L951-T1040 HydrophobicContact CD1-CG2 4.31Å; L951-T1040 HydrophobicContact CD2-CG2 4.49Å; I966-T1040 HydrophobicContact CG2-CG2 4.32Å; V971-T1040 HydrophobicContact CG1-CG2 4.33Å; V971-T1040 HydrophobicContact CG2-CG2 4.15Å; A1036-T1040 WeakPolarHBondContact O-CB 3.48Å; A1036-T1040 PolarHBondContact O-N 2.95Å; A1036-T1040 PolarHBondContact O-OG1 3.39Å; A1037-T1040 PolarHBondContact O-N 3.1Å; M1038-T1040 VanDerWaalsContact C-N 3.34Å; T1040-Q1042 PolarHBondContact O-N 3.01Å; T1040-N1043 PolarHBondContact O-N 2.7Å; T1040-N1043 VanDerWaalsContact O-N 3.12Å |
| 1041 | V | 89.8 | Confident | 92.9 | Very high | 35 Ų | 35 | 35 Ų | 35 | 21% | 0.212 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.7 | -37 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | V971 I974 A1037 M1038 N1043 | V971-V1041 HydrophobicContact CG1-CG2 3.86Å; I974-V1041 HydrophobicContact CG2-CG2 4.35Å; A1037-V1041 WeakPolarHBondContact O-CG2 3.44Å; A1037-V1041 PolarHBondContact O-N 3.35Å; A1037-V1041 VanDerWaalsContact O-N 3.08Å; M1038-V1041 PolarHBondContact O-N 3.13Å; V1041-N1043 VanDerWaalsContact C-N 3.31Å; V1041-N1043 PolarHBondContact O-N 2.84Å |
| 1042 | Q | 89.6 | Confident | 92.7 | Very high | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -1.9 | -178.8 | -66.3 | 159.5 | 4.9 | 0 | 0 | 114 | E987 S991 M1038 T1040 K1044 | E987-Q1042 PolarHBondContact O-NE2 3.43Å; S991-Q1042 PolarHBondContact OG-NE2 2.96Å; M1038-Q1042 VanDerWaalsContact O-CD 3.27Å; M1038-Q1042 VanDerWaalsContact O-CG 3.26Å; M1038-Q1042 WeakPolarHBondContact O-CG 3.22Å; M1038-Q1042 PolarHBondContact O-N 3.28Å; M1038-Q1042 VanDerWaalsContact O-N 3.07Å; T1040-Q1042 PolarHBondContact O-N 3.01Å; Q1042-K1044 HydrophobicContact CB-CG 4.01Å |
| 1043 | N | 88.1 | Confident | 92.7 | Very high | 138 Ų | 138 | 38.1 Ų | 38.1 | 74% | 0.738 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 53.5 | -175.7 | -164.3 | 28.2 | 0 | 0 | 0 | 113.1 | F1039 T1040 V1041 | F1039-N1043 PolarHBondContact O-N 2.66Å; F1039-N1043 VanDerWaalsContact O-N 3.13Å; T1040-N1043 PolarHBondContact O-N 2.7Å; T1040-N1043 VanDerWaalsContact O-N 3.12Å; V1041-N1043 VanDerWaalsContact C-N 3.31Å; V1041-N1043 PolarHBondContact O-N 2.84Å |
| 1044 | K | 90.5 | Very high | 92.7 | Very high | 99 Ų | 99 | 36.5 Ų | 36.5 | 43% | 0.43 | 18% | 0.18 | S | C | . | . | trans | -124.7 | 157.5 | -178.6 | -59.9 | -66.1 | 179.8 | -172.8 | 0 | 111.3 | F988 F1039 Q1042 I1046 | F988-K1044 HydrophobicContact CD2-CB 4.46Å; F988-K1044 HydrophobicContact CD2-CD 4.2Å; F988-K1044 HydrophobicContact CD2-CG 3.63Å; F988-K1044 HydrophobicContact CE2-CB 4.07Å; F988-K1044 HydrophobicContact CE2-CD 3.98Å; F988-K1044 HydrophobicContact CE2-CG 3.57Å; F988-K1044 HydrophobicContact CG-CG 4.44Å; F988-K1044 HydrophobicContact CZ-CD 4.26Å; F988-K1044 HydrophobicContact CZ-CG 4.34Å; F1039-K1044 HydrophobicContact CB-CB 4.2Å; F1039-K1044 HydrophobicContact CD1-CB 3.98Å; F1039-K1044 HydrophobicContact CD1-CG 4.42Å; F1039-K1044 HydrophobicContact CG-CB 4.49Å; F1039-K1044 PolarHBondContact O-N 2.85Å; Q1042-K1044 HydrophobicContact CB-CG 4.01Å; K1044-I1046 PolarHBondContact O-N 2.96Å | ||
| 1045 | N | 90.3 | Very high | 92.6 | Very high | 92 Ų | 92 | 40.3 Ų | 40.3 | 49% | 0.492 | 20% | 0.2 | S | C | . | . | trans | -72.8 | 111.8 | -179.7 | -173.8 | -52.3 | 0 | 0 | 0 | 111.1 | E1047 Q1048 Q1049 | N1045-E1047 WeakPolarHBondContact OD1-CB 3.29Å; N1045-E1047 PolarHBondContact OD1-N 3.07Å; N1045-E1047 VanDerWaalsContact OD1-N 3.13Å; N1045-Q1048 HydrophobicContact CB-CB 4.13Å; N1045-Q1048 PolarHBondContact OD1-N 2.94Å; N1045-Q1049 WeakPolarHBondContact O-CG 3.46Å; N1045-Q1049 PolarHBondContact O-N 2.97Å | ||
| 1046 | I | 92.8 | Very high | 92.4 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 8% | 0.082 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -47.1 | -177.2 | -57 | 163.9 | 0 | 0 | 0 | 111.3 | I966 T1035 A1036 F1039 K1044 Q1048 Q1049 L1050 F1092 | I966-I1046 HydrophobicContact CD1-CD1 4.11Å; I966-I1046 HydrophobicContact CG1-CD1 4.29Å; T1035-I1046 HydrophobicContact CG2-CG2 4.39Å; A1036-I1046 HydrophobicContact CB-CD1 4.31Å; A1036-I1046 HydrophobicContact CB-CG2 4.28Å; F1039-I1046 HydrophobicContact CB-CG1 4.11Å; K1044-I1046 PolarHBondContact O-N 2.96Å; I1046-Q1048 VanDerWaalsContact C-N 3.31Å; I1046-Q1048 PolarHBondContact O-N 3.29Å; I1046-Q1049 PolarHBondContact O-N 3.19Å; I1046-Q1049 VanDerWaalsContact O-N 3.14Å; I1046-L1050 HydrophobicContact CG2-CD1 3.94Å; I1046-L1050 HydrophobicContact CG2-CG 4.5Å; I1046-L1050 PolarHBondContact O-N 3.36Å; I1046-F1092 HydrophobicContact CB-CD1 4.36Å; I1046-F1092 HydrophobicContact CB-CE1 4.31Å; I1046-F1092 HydrophobicContact CB-CZ 4.49Å; I1046-F1092 HydrophobicContact CD1-CE1 4.12Å; I1046-F1092 HydrophobicContact CD1-CZ 3.94Å; I1046-F1092 HydrophobicContact CG2-CD1 4.15Å; I1046-F1092 HydrophobicContact CG2-CD2 3.72Å; I1046-F1092 HydrophobicContact CG2-CE1 4.19Å; I1046-F1092 HydrophobicContact CG2-CE2 3.76Å; I1046-F1092 HydrophobicContact CG2-CG 3.93Å; I1046-F1092 HydrophobicContact CG2-CZ 4Å |
| 1047 | E | 93.1 | Very high | 92.4 | Very high | 73 Ų | 73 | 40.7 Ų | 40.7 | 34% | 0.341 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.6 | -43.6 | -179.4 | 179.7 | -177.5 | 169.3 | 0 | 0 | 111.5 | N1045 Q1049 L1050 K1051 F1092 M1097 | N1045-E1047 WeakPolarHBondContact OD1-CB 3.29Å; N1045-E1047 PolarHBondContact OD1-N 3.07Å; N1045-E1047 VanDerWaalsContact OD1-N 3.13Å; E1047-Q1049 PolarHBondContact O-N 3.04Å; E1047-L1050 PolarHBondContact O-N 2.98Å; E1047-K1051 HydrophobicContact CG-CD 4.19Å; E1047-K1051 WeakPolarHBondContact O-CB 3.5Å; E1047-K1051 VanDerWaalsContact O-CG 3.3Å; E1047-K1051 WeakPolarHBondContact O-CG 3.34Å; E1047-K1051 PolarHBondContact O-N 3.48Å; E1047-K1051 WeakPolarHBondContact OE1-CE 3.13Å; E1047-K1051 IonicContact OE1-NZ 3.76Å; E1047-K1051 PolarHBondContact OE1-NZ 3.2Å; E1047-F1092 HydrophobicContact CB-CB 4.38Å; E1047-M1097 WeakPolarHBondContact OE1-CE 3.43Å |
| 1048 | Q | 93.1 | Very high | 92.3 | Very high | 103 Ų | 103 | 40.7 Ų | 40.7 | 48% | 0.481 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 177.2 | -175.8 | -178.3 | -3.4 | 0 | 0 | 111.9 | N1045 I1046 K1051 E1052 | N1045-Q1048 HydrophobicContact CB-CB 4.13Å; N1045-Q1048 PolarHBondContact OD1-N 2.94Å; I1046-Q1048 VanDerWaalsContact C-N 3.31Å; I1046-Q1048 PolarHBondContact O-N 3.29Å; Q1048-K1051 PolarHBondContact O-N 2.99Å; Q1048-E1052 WeakPolarHBondContact O-CG 3.39Å; Q1048-E1052 PolarHBondContact O-N 3.14Å; Q1048-E1052 VanDerWaalsContact O-N 3.08Å |
| 1049 | Q | 93.7 | Very high | 92.1 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.9 | -38.9 | -178.9 | -60.4 | -49.6 | -66.7 | 0 | 0 | 111.9 | L995 F1039 N1045 I1046 E1047 E1052 F1053 | L995-Q1049 HydrophobicContact CD1-CB 4.19Å; F1039-Q1049 HydrophobicContact CD1-CG 3.97Å; F1039-Q1049 HydrophobicContact CD2-CB 3.99Å; F1039-Q1049 HydrophobicContact CD2-CG 3.96Å; F1039-Q1049 HydrophobicContact CE1-CG 3.86Å; F1039-Q1049 HydrophobicContact CE2-CB 3.78Å; F1039-Q1049 HydrophobicContact CE2-CG 3.89Å; F1039-Q1049 HydrophobicContact CG-CG 4.02Å; F1039-Q1049 HydrophobicContact CZ-CB 4.11Å; F1039-Q1049 HydrophobicContact CZ-CG 3.82Å; N1045-Q1049 WeakPolarHBondContact O-CG 3.46Å; N1045-Q1049 PolarHBondContact O-N 2.97Å; I1046-Q1049 PolarHBondContact O-N 3.19Å; I1046-Q1049 VanDerWaalsContact O-N 3.14Å; E1047-Q1049 PolarHBondContact O-N 3.04Å; Q1049-E1052 PolarHBondContact O-N 3.19Å; Q1049-F1053 PolarHBondContact O-N 3.47Å |
| 1050 | L | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.1 | -35.7 | 175.4 | -76 | 172.8 | 0 | 0 | 0 | 112.4 | I1031 T1035 I1046 E1047 F1053 L1054 F1092 L1093 | I1031-L1050 HydrophobicContact CG2-CD2 4.05Å; T1035-L1050 HydrophobicContact CG2-CD1 4.31Å; T1035-L1050 HydrophobicContact CG2-CD2 3.63Å; T1035-L1050 HydrophobicContact CG2-CG 3.64Å; I1046-L1050 HydrophobicContact CG2-CD1 3.94Å; I1046-L1050 HydrophobicContact CG2-CG 4.5Å; I1046-L1050 PolarHBondContact O-N 3.36Å; E1047-L1050 PolarHBondContact O-N 2.98Å; L1050-F1053 WeakPolarHBondContact O-CB 3.49Å; L1050-F1053 PolarHBondContact O-N 3.35Å; L1050-L1054 WeakPolarHBondContact O-CB 3.42Å; L1050-L1054 PolarHBondContact O-N 2.91Å; L1050-F1092 HydrophobicContact CD1-CB 3.76Å; L1050-F1092 HydrophobicContact CD1-CD2 3.65Å; L1050-F1092 HydrophobicContact CD1-CG 4.05Å; L1050-L1093 HydrophobicContact CB-CD1 4.16Å; L1050-L1093 HydrophobicContact CB-CD2 3.86Å; L1050-L1093 HydrophobicContact CB-CG 4.02Å |
| 1051 | K | 93.8 | Very high | 91.7 | Very high | 86 Ų | 86 | 41.6 Ų | 41.6 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 172.3 | -79.1 | 175.4 | 179.6 | 171.3 | 0 | 112.1 | E1047 Q1048 F1053 L1054 L1055 L1093 M1097 | E1047-K1051 HydrophobicContact CG-CD 4.19Å; E1047-K1051 WeakPolarHBondContact O-CB 3.5Å; E1047-K1051 VanDerWaalsContact O-CG 3.3Å; E1047-K1051 WeakPolarHBondContact O-CG 3.34Å; E1047-K1051 PolarHBondContact O-N 3.48Å; E1047-K1051 WeakPolarHBondContact OE1-CE 3.13Å; E1047-K1051 IonicContact OE1-NZ 3.76Å; E1047-K1051 PolarHBondContact OE1-NZ 3.2Å; Q1048-K1051 PolarHBondContact O-N 2.99Å; K1051-F1053 VanDerWaalsContact C-N 3.35Å; K1051-L1054 PolarHBondContact O-N 3.36Å; K1051-L1055 WeakPolarHBondContact O-CB 3.47Å; K1051-L1055 PolarHBondContact O-N 3.39Å; K1051-L1093 HydrophobicContact CG-CD2 4.16Å; K1051-M1097 HydrophobicContact CD-SD 4.29Å; K1051-M1097 WeakPolarHBondContact CE-SD 3.42Å; K1051-M1097 HydrophobicContact CG-SD 4.1Å |
| 1052 | E | 92 | Very high | 91.6 | Very high | 65 Ų | 65 | 42.6 Ų | 42.6 | 30% | 0.304 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 175.6 | -73.4 | -177.5 | -170.5 | 0 | 0 | 111.5 | R992 Q1048 Q1049 L1056 | R992-E1052 IonicContact CZ-OE1 2.71Å; R992-E1052 IonicContact CZ-OE2 2.79Å; R992-E1052 IonicContact NE-OE2 2.78Å; R992-E1052 PolarHBondContact NE-OE2 3.19Å; R992-E1052 IonicContact NH2-OE1 3.66Å; R992-E1052 PolarHBondContact NH2-OE1 3.31Å; R992-E1052 IonicContact NH2-OE2 3.13Å; R992-E1052 PolarHBondContact NH2-OE2 3.44Å; Q1048-E1052 WeakPolarHBondContact O-CG 3.39Å; Q1048-E1052 PolarHBondContact O-N 3.14Å; Q1048-E1052 VanDerWaalsContact O-N 3.08Å; Q1049-E1052 PolarHBondContact O-N 3.19Å; E1052-L1056 WeakPolarHBondContact O-CB 3.36Å; E1052-L1056 PolarHBondContact O-N 3.36Å; E1052-L1056 VanDerWaalsContact O-N 3.12Å |
| 1053 | F | 95 | Very high | 91.3 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.8 | -47.6 | 173.4 | 170.5 | -92.2 | 0 | 0 | 0 | 111.6 | L995 V998 A999 L1002 I1031 Q1049 L1050 K1051 L1055 L1056 A1057 I1086 | L995-F1053 HydrophobicContact CB-CB 4.47Å; L995-F1053 HydrophobicContact CB-CD2 4.03Å; L995-F1053 HydrophobicContact CD1-CB 4.37Å; L995-F1053 HydrophobicContact CD2-CD2 3.93Å; L995-F1053 HydrophobicContact CD2-CG 4.35Å; L995-F1053 WeakPolarHBondContact O-CD2 3.11Å; V998-F1053 HydrophobicContact CB-CE2 4.16Å; V998-F1053 HydrophobicContact CG1-CE2 3.98Å; V998-F1053 HydrophobicContact CG1-CZ 4.29Å; A999-F1053 HydrophobicContact CB-CD2 3.82Å; A999-F1053 HydrophobicContact CB-CE2 3.67Å; A999-F1053 HydrophobicContact CB-CZ 4.47Å; L1002-F1053 HydrophobicContact CD1-CZ 4.37Å; I1031-F1053 HydrophobicContact CD1-CE1 4.03Å; I1031-F1053 HydrophobicContact CD1-CE2 4.4Å; I1031-F1053 HydrophobicContact CD1-CZ 3.55Å; I1031-F1053 HydrophobicContact CG1-CZ 4.18Å; I1031-F1053 HydrophobicContact CG2-CD1 4.04Å; I1031-F1053 HydrophobicContact CG2-CE1 3.76Å; I1031-F1053 HydrophobicContact CG2-CE2 4.49Å; I1031-F1053 HydrophobicContact CG2-CZ 4.01Å; Q1049-F1053 PolarHBondContact O-N 3.47Å; L1050-F1053 WeakPolarHBondContact O-CB 3.49Å; L1050-F1053 PolarHBondContact O-N 3.35Å; K1051-F1053 VanDerWaalsContact C-N 3.35Å; F1053-L1055 PolarHBondContact O-N 2.82Å; F1053-L1056 PolarHBondContact O-N 3.28Å; F1053-A1057 HydrophobicContact CE1-CB 4.23Å; F1053-A1057 HydrophobicContact CZ-CB 4.25Å; F1053-A1057 VanDerWaalsContact O-CB 3.29Å; F1053-A1057 WeakPolarHBondContact O-CB 3.47Å; F1053-A1057 PolarHBondContact O-N 2.92Å; F1053-I1086 HydrophobicContact CE1-CD1 4.2Å; F1053-I1086 HydrophobicContact CE1-CG2 4.46Å |
| 1054 | L | 94.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | -177.9 | -174.7 | 65.1 | 0 | 0 | 0 | 111.8 | L1050 K1051 S1058 L1083 V1087 L1093 M1097 L1098 | L1050-L1054 WeakPolarHBondContact O-CB 3.42Å; L1050-L1054 PolarHBondContact O-N 2.91Å; K1051-L1054 PolarHBondContact O-N 3.36Å; L1054-S1058 WeakPolarHBondContact O-CB 3.48Å; L1054-S1058 PolarHBondContact O-N 2.97Å; L1054-S1058 PolarHBondContact O-OG 3.43Å; L1054-L1083 HydrophobicContact CD1-CD2 4.1Å; L1054-V1087 HydrophobicContact CD1-CG2 3.93Å; L1054-V1087 HydrophobicContact CD2-CG2 4.02Å; L1054-L1093 HydrophobicContact CD2-CD1 4.36Å; L1054-L1093 HydrophobicContact CD2-CD2 4.19Å; L1054-M1097 HydrophobicContact CD2-CB 4.46Å; L1054-L1098 HydrophobicContact CD1-CD1 3.99Å; L1054-L1098 HydrophobicContact CD2-CD1 4.49Å |
| 1055 | L | 92.9 | Very high | 90 | Very high | 85 Ų | 85 | 35.1 Ų | 35.1 | 45% | 0.445 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 176.3 | -177.4 | 67.4 | 0 | 0 | 0 | 111.3 | F879 K1051 F1053 S1059 C1101 | F879-L1055 HydrophobicContact CE2-CD2 3.91Å; F879-L1055 HydrophobicContact CE2-CG 4.4Å; F879-L1055 HydrophobicContact CZ-CD2 4.28Å; K1051-L1055 WeakPolarHBondContact O-CB 3.47Å; K1051-L1055 PolarHBondContact O-N 3.39Å; F1053-L1055 PolarHBondContact O-N 2.82Å; L1055-S1059 WeakPolarHBondContact O-CB 3.22Å; L1055-S1059 PolarHBondContact O-N 3.02Å; L1055-C1101 HydrophobicContact CD1-CB 3.97Å |
| 1056 | L | 91.6 | Very high | 89.2 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.2 | -46.1 | 179.8 | -177.3 | 62.4 | 0 | 0 | 0 | 111.9 | F879 V996 A999 V1000 E1052 F1053 S1058 S1059 T1060 | F879-L1056 HydrophobicContact CB-CD1 3.52Å; F879-L1056 HydrophobicContact CG-CD1 4.23Å; V996-L1056 HydrophobicContact CB-CD2 4.09Å; V996-L1056 HydrophobicContact CG1-CD2 3.89Å; V996-L1056 HydrophobicContact CG2-CD2 4.01Å; A999-L1056 HydrophobicContact CB-CB 4.18Å; A999-L1056 HydrophobicContact CB-CD2 3.81Å; A999-L1056 HydrophobicContact CB-CG 3.85Å; V1000-L1056 HydrophobicContact CG1-CD1 4.39Å; V1000-L1056 HydrophobicContact CG1-CD2 4.2Å; V1000-L1056 HydrophobicContact CG1-CG 4.37Å; E1052-L1056 WeakPolarHBondContact O-CB 3.36Å; E1052-L1056 PolarHBondContact O-N 3.36Å; E1052-L1056 VanDerWaalsContact O-N 3.12Å; F1053-L1056 PolarHBondContact O-N 3.28Å; L1056-S1058 VanDerWaalsContact C-N 3.33Å; L1056-S1058 PolarHBondContact O-N 3.19Å; L1056-S1059 PolarHBondContact O-N 3.49Å; L1056-T1060 HydrophobicContact CD1-CG2 4.47Å; L1056-T1060 WeakPolarHBondContact O-CG2 3.35Å; L1056-T1060 PolarHBondContact O-N 2.99Å; L1056-T1060 PolarHBondContact O-OG1 3Å |
| 1057 | A | 92.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -38.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | A999 L1002 F1053 T1060 L1061 L1083 | A999-A1057 HydrophobicContact CB-CB 4.05Å; L1002-A1057 HydrophobicContact CD1-CB 3.92Å; F1053-A1057 HydrophobicContact CE1-CB 4.23Å; F1053-A1057 HydrophobicContact CZ-CB 4.25Å; F1053-A1057 VanDerWaalsContact O-CB 3.29Å; F1053-A1057 WeakPolarHBondContact O-CB 3.47Å; F1053-A1057 PolarHBondContact O-N 2.92Å; A1057-T1060 PolarHBondContact O-OG1 3.43Å; A1057-L1061 WeakPolarHBondContact O-CB 3.47Å; A1057-L1061 WeakPolarHBondContact O-CG 3.48Å; A1057-L1061 PolarHBondContact O-N 3.25Å; A1057-L1061 VanDerWaalsContact O-N 3.08Å; A1057-L1083 HydrophobicContact CB-CD2 3.9Å |
| 1058 | S | 92 | Very high | 85.9 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.5 | -44.9 | 175.8 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | L1054 L1056 T1060 L1061 L1062 C1101 | L1054-S1058 WeakPolarHBondContact O-CB 3.48Å; L1054-S1058 PolarHBondContact O-N 2.97Å; L1054-S1058 PolarHBondContact O-OG 3.43Å; L1056-S1058 VanDerWaalsContact C-N 3.33Å; L1056-S1058 PolarHBondContact O-N 3.19Å; S1058-T1060 PolarHBondContact O-N 2.8Å; S1058-L1061 PolarHBondContact O-N 3.05Å; S1058-L1062 WeakPolarHBondContact O-CB 3.44Å; S1058-L1062 VanDerWaalsContact O-CG 3.25Å; S1058-L1062 WeakPolarHBondContact O-CG 3.44Å; S1058-L1062 PolarHBondContact O-N 3.34Å; S1058-C1101 WeakPolarHBondContact CB-O 3.4Å; S1058-C1101 PolarHBondContact OG-SG 2.73Å |
| 1059 | S | 89.4 | Confident | 84 | Confident | 33 Ų | 33 | 47 Ų | 47 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.3 | -47.1 | 176 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | L1055 L1056 L1061 L1062 Q1063 | L1055-S1059 WeakPolarHBondContact O-CB 3.22Å; L1055-S1059 PolarHBondContact O-N 3.02Å; L1056-S1059 PolarHBondContact O-N 3.49Å; S1059-L1061 PolarHBondContact O-N 2.99Å; S1059-L1062 PolarHBondContact O-N 3.19Å; S1059-Q1063 WeakPolarHBondContact O-CG 3.41Å; S1059-Q1063 PolarHBondContact O-N 2.57Å |
| 1060 | T | 87.5 | Confident | 82 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.3 | -33.9 | -178.1 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | A999 V1000 L1056 A1057 S1058 L1064 | A999-T1060 PolarHBondContact O-OG1 3.41Å; V1000-T1060 HydrophobicContact CG1-CG2 4.19Å; L1056-T1060 HydrophobicContact CD1-CG2 4.47Å; L1056-T1060 WeakPolarHBondContact O-CG2 3.35Å; L1056-T1060 PolarHBondContact O-N 2.99Å; L1056-T1060 PolarHBondContact O-OG1 3Å; A1057-T1060 PolarHBondContact O-OG1 3.43Å; S1058-T1060 PolarHBondContact O-N 2.8Å; T1060-L1064 PolarHBondContact O-N 3.04Å |
| 1061 | L | 88.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -77.1 | -31.1 | 175.5 | -72.3 | 173.3 | 0 | 0 | 0 | 113.3 | L1002 P1003 A1057 S1058 S1059 L1064 G1065 I1079 Y1080 L1083 F1102 | L1002-L1061 HydrophobicContact CB-CD2 4.44Å; L1002-L1061 HydrophobicContact CD1-CD1 4.48Å; P1003-L1061 HydrophobicContact CG-CD2 4.15Å; A1057-L1061 WeakPolarHBondContact O-CB 3.47Å; A1057-L1061 WeakPolarHBondContact O-CG 3.48Å; A1057-L1061 PolarHBondContact O-N 3.25Å; A1057-L1061 VanDerWaalsContact O-N 3.08Å; S1058-L1061 PolarHBondContact O-N 3.05Å; S1059-L1061 PolarHBondContact O-N 2.99Å; L1061-L1064 HydrophobicContact CD2-CD2 4.48Å; L1061-L1064 WeakPolarHBondContact O-CB 3.41Å; L1061-L1064 PolarHBondContact O-N 2.91Å; L1061-G1065 PolarHBondContact O-N 3.17Å; L1061-I1079 HydrophobicContact CD2-CG2 3.62Å; L1061-Y1080 HydrophobicContact CB-CD1 4.22Å; L1061-Y1080 HydrophobicContact CB-CE1 3.97Å; L1061-Y1080 HydrophobicContact CD2-CD1 4.47Å; L1061-Y1080 HydrophobicContact CD2-CE1 4.49Å; L1061-Y1080 VanDerWaalsContact O-CE1 3.29Å; L1061-Y1080 WeakPolarHBondContact O-CE1 3.39Å; L1061-Y1080 PolarHBondContact O-OH 2.96Å; L1061-Y1080 VanDerWaalsContact O-OH 3.05Å; L1061-L1083 HydrophobicContact CD1-CD1 3.71Å; L1061-L1083 HydrophobicContact CD1-CD2 3.99Å; L1061-L1083 HydrophobicContact CD1-CG 3.65Å; L1061-F1102 HydrophobicContact CB-CE2 4.3Å |
| 1062 | L | 87.8 | Confident | 77.7 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 29% | 0.293 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 171.9 | -74.2 | 171.5 | 0 | 0 | 0 | 111.8 | S1058 S1059 L1064 G1065 Q1066 C1101 F1102 L1106 | S1058-L1062 WeakPolarHBondContact O-CB 3.44Å; S1058-L1062 VanDerWaalsContact O-CG 3.25Å; S1058-L1062 WeakPolarHBondContact O-CG 3.44Å; S1058-L1062 PolarHBondContact O-N 3.34Å; S1059-L1062 PolarHBondContact O-N 3.19Å; L1062-L1064 VanDerWaalsContact C-N 3.28Å; L1062-L1064 PolarHBondContact O-N 2.82Å; L1062-G1065 WeakPolarHBondContact O-CA 3.41Å; L1062-G1065 PolarHBondContact O-N 2.88Å; L1062-Q1066 PolarHBondContact O-N 3Å; L1062-C1101 WeakPolarHBondContact CD1-O 3.36Å; L1062-F1102 HydrophobicContact CD1-CD2 4.27Å; L1062-F1102 HydrophobicContact CD2-CD2 3.86Å; L1062-F1102 HydrophobicContact CD2-CE2 3.68Å; L1062-F1102 HydrophobicContact CD2-CZ 4.47Å; L1062-F1102 HydrophobicContact CG-CD2 3.75Å; L1062-F1102 HydrophobicContact CG-CE2 3.82Å; L1062-L1106 HydrophobicContact CD2-CD1 3.51Å |
| 1063 | Q | 82.1 | Confident | 76.3 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60 | -37.7 | 173 | -73 | 174.3 | 6.5 | 0 | 0 | 112 | S1059 G1065 Q1066 | S1059-Q1063 WeakPolarHBondContact O-CG 3.41Å; S1059-Q1063 PolarHBondContact O-N 2.57Å; Q1063-G1065 PolarHBondContact O-N 2.94Å; Q1063-Q1066 PolarHBondContact O-N 2.88Å; Q1063-Q1066 VanDerWaalsContact O-N 3.15Å |
| 1064 | L | 79.5 | Confident | 75.1 | Confident | 21 Ų | 21 | 74.8 Ų | 74.8 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.4 | -31.1 | 172.3 | -174.4 | 68.5 | 0 | 0 | 0 | 112.3 | P1003 A1006 T1060 L1061 L1062 Q1066 V1073 R1076 | P1003-L1064 HydrophobicContact CB-CD1 4.42Å; P1003-L1064 HydrophobicContact CB-CD2 4.18Å; A1006-L1064 HydrophobicContact CB-CD2 3.85Å; T1060-L1064 PolarHBondContact O-N 3.04Å; L1061-L1064 HydrophobicContact CD2-CD2 4.48Å; L1061-L1064 WeakPolarHBondContact O-CB 3.41Å; L1061-L1064 PolarHBondContact O-N 2.91Å; L1062-L1064 VanDerWaalsContact C-N 3.28Å; L1062-L1064 PolarHBondContact O-N 2.82Å; L1064-Q1066 VanDerWaalsContact C-N 3.28Å; L1064-Q1066 PolarHBondContact O-N 3.02Å; L1064-V1073 HydrophobicContact CD1-CG1 3.86Å; L1064-V1073 HydrophobicContact CD1-CG2 4.42Å; L1064-V1073 HydrophobicContact CD2-CG1 3.97Å; L1064-V1073 HydrophobicContact CG-CG1 3.9Å; L1064-R1076 HydrophobicContact CD2-CG 4.03Å; L1064-R1076 HydrophobicContact CG-CG 4.34Å |
| 1065 | G | 72.9 | Confident | 74.6 | Confident | 25 Ų | 25 | 75.2 Ų | 75.2 | 26% | 0.258 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.8 | -22.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1061 L1062 Q1063 R1076 Y1080 | L1061-G1065 PolarHBondContact O-N 3.17Å; L1062-G1065 WeakPolarHBondContact O-CA 3.41Å; L1062-G1065 PolarHBondContact O-N 2.88Å; Q1063-G1065 PolarHBondContact O-N 2.94Å; G1065-R1076 PolarHBondContact O-NH1 2.91Å; G1065-Y1080 VanDerWaalsContact CA-OH 3.27Å; G1065-Y1080 WeakPolarHBondContact CA-OH 3.42Å; G1065-Y1080 PolarHBondContact N-OH 3.33Å |
| 1066 | Q | 73.2 | Confident | 74.3 | Confident | 149 Ų | 149 | 74.7 Ų | 74.7 | 70% | 0.696 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -88.3 | -15.2 | -177 | -63.9 | 177.4 | -8.1 | 0 | 0 | 113.6 | L1062 Q1063 L1064 V1068 | L1062-Q1066 PolarHBondContact O-N 3Å; Q1063-Q1066 PolarHBondContact O-N 2.88Å; Q1063-Q1066 VanDerWaalsContact O-N 3.15Å; L1064-Q1066 VanDerWaalsContact C-N 3.28Å; L1064-Q1066 PolarHBondContact O-N 3.02Å; Q1066-V1068 WeakPolarHBondContact O-CG2 3.48Å; Q1066-V1068 PolarHBondContact O-N 3.2Å |
| 1067 | N | 63.4 | Low | 74.1 | Confident | 108 Ų | 108 | 77.6 Ų | 77.6 | 58% | 0.578 | 38% | 0.382 | S | S | * | . | trans | -82.6 | 104.5 | 176 | -74.2 | -16 | 0 | 0 | 0 | 110.3 | ||||
| 1068 | V | 54.2 | Low | 74 | Confident | 117 Ų | 117 | 77.7 Ų | 77.7 | 71% | 0.709 | 38% | 0.383 | S | S | * | . | trans | -93.2 | 6 | -171.3 | -168.5 | 0 | 0 | 0 | 0 | 113.5 | Q1066 R1070 | Q1066-V1068 WeakPolarHBondContact O-CG2 3.48Å; Q1066-V1068 PolarHBondContact O-N 3.2Å; V1068-R1070 PolarHBondContact O-N 3.03Å; V1068-R1070 VanDerWaalsContact O-N 3.11Å | ||
| 1069 | E | 53.1 | Low | 74 | Confident | 161 Ų | 161 | 77.7 Ų | 77.7 | 75% | 0.752 | 38% | 0.383 | S | S | * | . | trans | -71.7 | 109.3 | 176.5 | -69.5 | -167.2 | 175.6 | 0 | 0 | 111 | V1071 | E1069-V1071 PolarHBondContact O-N 3.25Š| ||
| 1070 | R | 49.8 | Very low | 74.2 | Confident | 242 Ų | 242 | 76.7 Ų | 76.7 | 91% | 0.913 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 7.1 | -160.3 | -77.7 | -178 | 172.6 | -177 | -2.4 | 117.5 | V1068 | V1068-R1070 PolarHBondContact O-N 3.03Å; V1068-R1070 VanDerWaalsContact O-N 3.11Å |
| 1071 | V | 48.3 | Very low | 74.5 | Confident | 139 Ų | 139 | 76.2 Ų | 76.2 | 84% | 0.842 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | -23 | -173.7 | -173.2 | 0 | 0 | 0 | 0 | 113.3 | E1069 | E1069-V1071 PolarHBondContact O-N 3.25Š|
| 1072 | E | 51.3 | Low | 74.7 | Confident | 138 Ų | 138 | 76.3 Ų | 76.3 | 65% | 0.645 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -99.2 | 3 | -169.5 | -68.6 | -170.7 | 161.5 | 0 | 0 | 116.1 | L1007 | L1007-E1072 HydrophobicContact CD2-CB 4.43Å; L1007-E1072 WeakPolarHBondContact CD2-O 3.42Å |
| 1073 | V | 62 | Low | 75 | Confident | 33 Ų | 33 | 73.6 Ų | 73.6 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | trans | -135.7 | 50.9 | -172.3 | -144.7 | 0 | 0 | 0 | 0 | 114.8 | A1006 L1064 N1075 R1076 | A1006-V1073 HydrophobicContact CB-CG1 3.84Å; L1064-V1073 HydrophobicContact CD1-CG1 3.86Å; L1064-V1073 HydrophobicContact CD1-CG2 4.42Å; L1064-V1073 HydrophobicContact CD2-CG1 3.97Å; L1064-V1073 HydrophobicContact CG-CG1 3.9Å; V1073-N1075 VanDerWaalsContact C-N 3.33Å; V1073-N1075 PolarHBondContact O-N 2.97Å; V1073-R1076 HydrophobicContact CB-CB 4.4Å; V1073-R1076 HydrophobicContact CG1-CB 3.56Å; V1073-R1076 HydrophobicContact CG1-CG 3.94Å | ||
| 1074 | K | 69.1 | Low | 75.6 | Confident | 194 Ų | 194 | 72.6 Ų | 72.6 | 84% | 0.843 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -32.2 | -174.5 | -162.5 | 177.9 | -179.9 | -175.2 | 0 | 114.2 | ||
| 1075 | N | 84.4 | Confident | 76.3 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 6% | 0.059 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 17.6 | -175.5 | -71.4 | -25.9 | 0 | 0 | 0 | 114.3 | A1006 D1008 P1009 V1073 E1077 S1078 I1079 | A1006-N1075 PolarHBondContact O-N 3.39Å; D1008-N1075 PolarHBondContact O-ND2 3.1Å; P1009-N1075 PolarHBondContact O-ND2 2.85Å; V1073-N1075 VanDerWaalsContact C-N 3.33Å; V1073-N1075 PolarHBondContact O-N 2.97Å; N1075-E1077 VanDerWaalsContact C-N 3.31Å; N1075-E1077 PolarHBondContact O-N 2.97Å; N1075-S1078 WeakPolarHBondContact O-CB 3.46Å; N1075-S1078 PolarHBondContact O-N 2.96Å; N1075-I1079 PolarHBondContact O-N 3.01Å |
| 1076 | R | 86.6 | Confident | 77.4 | Confident | 74 Ų | 74 | 71.6 Ų | 71.6 | 28% | 0.279 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -47.4 | -50.8 | -176.1 | -168.8 | 175.6 | 59.6 | -175.6 | -0.8 | 113.7 | L1064 G1065 V1073 S1078 I1079 Y1080 | L1064-R1076 HydrophobicContact CD2-CG 4.03Å; L1064-R1076 HydrophobicContact CG-CG 4.34Å; G1065-R1076 PolarHBondContact O-NH1 2.91Å; V1073-R1076 HydrophobicContact CB-CB 4.4Å; V1073-R1076 HydrophobicContact CG1-CB 3.56Å; V1073-R1076 HydrophobicContact CG1-CG 3.94Å; R1076-S1078 VanDerWaalsContact C-N 3.3Å; R1076-S1078 PolarHBondContact O-N 3.12Å; R1076-I1079 PolarHBondContact O-N 3.49Å; R1076-I1079 VanDerWaalsContact O-N 3.17Å; R1076-Y1080 HydrophobicContact CG-CE1 4.03Å; R1076-Y1080 HydrophobicContact CG-CE2 4.17Å; R1076-Y1080 PolarHBondContact O-N 3.28Å |
| 1077 | E | 87.9 | Confident | 78.4 | Confident | 73 Ų | 73 | 64.7 Ų | 64.7 | 34% | 0.341 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | -175.7 | -72.5 | 157.3 | -177.3 | 0 | 0 | 111.1 | N1075 I1079 Y1080 A1110 E1113 | N1075-E1077 VanDerWaalsContact C-N 3.31Å; N1075-E1077 PolarHBondContact O-N 2.97Å; E1077-I1079 VanDerWaalsContact C-N 3.3Å; E1077-I1079 PolarHBondContact O-N 3.32Å; E1077-Y1080 PolarHBondContact O-N 2.81Å; E1077-A1110 HydrophobicContact CB-CB 3.92Å; E1077-A1110 HydrophobicContact CG-CB 4.37Å; E1077-A1110 WeakPolarHBondContact O-CB 3.4Å; E1077-E1113 WeakPolarHBondContact OE2-CB 3.5Å |
| 1078 | S | 90.7 | Very high | 79.8 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.8 | -33.4 | 176.1 | -64 | 0 | 0 | 0 | 0 | 112.5 | S1011 Y1013 H1020 N1075 R1076 V1114 | S1011-S1078 WeakPolarHBondContact O-CB 3.4Å; Y1013-S1078 PolarHBondContact N-OG 3.38Å; H1020-S1078 PolarHBondContact NE2-O 3.39Å; N1075-S1078 WeakPolarHBondContact O-CB 3.46Å; N1075-S1078 PolarHBondContact O-N 2.96Å; R1076-S1078 VanDerWaalsContact C-N 3.3Å; R1076-S1078 PolarHBondContact O-N 3.12Å; S1078-V1114 WeakPolarHBondContact OG-CG1 3.25Å |
| 1079 | I | 92.2 | Very high | 81.6 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.9 | -34 | 177.9 | -54.8 | -48.9 | 0 | 0 | 0 | 111.7 | L1005 A1006 I1024 L1061 N1075 R1076 E1077 L1081 L1082 | L1005-I1079 HydrophobicContact CB-CD1 3.49Å; L1005-I1079 VanDerWaalsContact CB-CD1 3.49Å; L1005-I1079 HydrophobicContact CB-CG1 4.15Å; A1006-I1079 HydrophobicContact CB-CG1 3.98Å; I1024-I1079 HydrophobicContact CD1-CD1 3.53Å; L1061-I1079 HydrophobicContact CD2-CG2 3.62Å; N1075-I1079 PolarHBondContact O-N 3.01Å; R1076-I1079 PolarHBondContact O-N 3.49Å; R1076-I1079 VanDerWaalsContact O-N 3.17Å; E1077-I1079 VanDerWaalsContact C-N 3.3Å; E1077-I1079 PolarHBondContact O-N 3.32Å; I1079-L1081 PolarHBondContact O-N 3.05Å; I1079-L1082 HydrophobicContact CG2-CD1 4.17Å; I1079-L1082 VanDerWaalsContact O-CB 3.28Å; I1079-L1082 WeakPolarHBondContact O-CB 3.43Å; I1079-L1082 PolarHBondContact O-N 3.17Å |
| 1080 | Y | 92.9 | Very high | 83.5 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.8 | -34.5 | 175.4 | -69.7 | -10.9 | 0 | 0 | 0 | 112.2 | L1061 G1065 R1076 E1077 L1082 L1083 F1102 L1107 | L1061-Y1080 HydrophobicContact CB-CD1 4.22Å; L1061-Y1080 HydrophobicContact CB-CE1 3.97Å; L1061-Y1080 HydrophobicContact CD2-CD1 4.47Å; L1061-Y1080 HydrophobicContact CD2-CE1 4.49Å; L1061-Y1080 VanDerWaalsContact O-CE1 3.29Å; L1061-Y1080 WeakPolarHBondContact O-CE1 3.39Å; L1061-Y1080 PolarHBondContact O-OH 2.96Å; L1061-Y1080 VanDerWaalsContact O-OH 3.05Å; G1065-Y1080 VanDerWaalsContact CA-OH 3.27Å; G1065-Y1080 WeakPolarHBondContact CA-OH 3.42Å; G1065-Y1080 PolarHBondContact N-OH 3.33Å; R1076-Y1080 HydrophobicContact CG-CE1 4.03Å; R1076-Y1080 HydrophobicContact CG-CE2 4.17Å; R1076-Y1080 PolarHBondContact O-N 3.28Å; E1077-Y1080 PolarHBondContact O-N 2.81Å; Y1080-L1082 PolarHBondContact O-N 3.08Å; Y1080-L1082 VanDerWaalsContact O-N 3.15Å; Y1080-L1083 PolarHBondContact O-N 2.92Å; Y1080-L1083 VanDerWaalsContact O-N 3.14Å; Y1080-F1102 HydrophobicContact CD1-CE2 4.37Å; Y1080-F1102 AromaticContact CD1-CZ 3.85Å; Y1080-F1102 HydrophobicContact CD1-CZ 3.85Å; Y1080-F1102 AromaticContact CD2-CZ 3.94Å; Y1080-F1102 HydrophobicContact CD2-CZ 3.94Å; Y1080-F1102 HydrophobicContact CE1-CE2 4.39Å; Y1080-F1102 HydrophobicContact CE1-CZ 4.14Å; Y1080-F1102 HydrophobicContact CE2-CZ 4.22Å; Y1080-F1102 HydrophobicContact CG-CE1 4.43Å; Y1080-F1102 AromaticContact CG-CZ 3.73Å; Y1080-F1102 HydrophobicContact CG-CZ 3.73Å; Y1080-L1107 WeakPolarHBondContact O-CD2 3.28Å |
| 1081 | L | 93.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -22 | 177.6 | -53 | -176.4 | 0 | 0 | 0 | 113.2 | Y1013 I1079 L1083 H1084 M1085 A1110 Y1111 V1114 | Y1013-L1081 HydrophobicContact CD1-CD1 3.93Å; Y1013-L1081 HydrophobicContact CD2-CD1 4.01Å; Y1013-L1081 HydrophobicContact CE1-CD1 4.38Å; Y1013-L1081 HydrophobicContact CE2-CD1 4.48Å; Y1013-L1081 HydrophobicContact CG-CD1 3.7Å; I1079-L1081 PolarHBondContact O-N 3.05Å; L1081-L1083 VanDerWaalsContact C-N 3.31Å; L1081-L1083 PolarHBondContact O-N 3.47Å; L1081-H1084 WeakPolarHBondContact O-CB 3.3Å; L1081-H1084 PolarHBondContact O-N 3.18Å; L1081-M1085 HydrophobicContact CB-CE 4.03Å; L1081-M1085 WeakPolarHBondContact O-CG 3.47Å; L1081-M1085 PolarHBondContact O-N 3.2Å; L1081-A1110 HydrophobicContact CD2-CB 3.7Å; L1081-A1110 HydrophobicContact CG-CB 4.37Å; L1081-Y1111 HydrophobicContact CD1-CD1 4Å; L1081-Y1111 HydrophobicContact CD1-CE1 3.92Å; L1081-Y1111 HydrophobicContact CD2-CD1 3.91Å; L1081-Y1111 HydrophobicContact CD2-CD2 3.64Å; L1081-Y1111 HydrophobicContact CD2-CE1 3.91Å; L1081-Y1111 HydrophobicContact CD2-CE2 3.64Å; L1081-Y1111 HydrophobicContact CD2-CG 3.77Å; L1081-Y1111 HydrophobicContact CG-CE1 4.41Å; L1081-V1114 HydrophobicContact CD1-CG1 4.45Å; L1081-V1114 HydrophobicContact CD1-CG2 3.97Å |
| 1082 | L | 93.9 | Very high | 87.5 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -37 | 175.5 | -66.9 | 178.2 | 0 | 0 | 0 | 112.4 | L1002 L1005 H1020 I1024 L1027 I1079 Y1080 H1084 M1085 I1086 | L1002-L1082 HydrophobicContact CD2-CD1 4.37Å; L1005-L1082 HydrophobicContact CD1-CD1 3.95Å; H1020-L1082 VanDerWaalsContact CE1-CD2 3.49Å; H1020-L1082 WeakPolarHBondContact CE1-CD2 3.23Å; I1024-L1082 HydrophobicContact CD1-CD1 4.22Å; I1024-L1082 HydrophobicContact CG1-CD1 4.45Å; I1024-L1082 HydrophobicContact CG1-CD2 4.27Å; I1024-L1082 VanDerWaalsContact O-CD2 3.29Å; I1024-L1082 WeakPolarHBondContact O-CD2 3.36Å; L1027-L1082 HydrophobicContact CD1-CD1 4.41Å; I1079-L1082 HydrophobicContact CG2-CD1 4.17Å; I1079-L1082 VanDerWaalsContact O-CB 3.28Å; I1079-L1082 WeakPolarHBondContact O-CB 3.43Å; I1079-L1082 PolarHBondContact O-N 3.17Å; Y1080-L1082 PolarHBondContact O-N 3.08Å; Y1080-L1082 VanDerWaalsContact O-N 3.15Å; L1082-H1084 VanDerWaalsContact C-N 3.29Å; L1082-H1084 PolarHBondContact O-N 2.63Å; L1082-M1085 HydrophobicContact CD2-SD 4.21Å; L1082-M1085 PolarHBondContact O-N 3.47Å; L1082-I1086 WeakPolarHBondContact O-CB 3.25Å; L1082-I1086 WeakPolarHBondContact O-CD1 3.27Å; L1082-I1086 WeakPolarHBondContact O-CG1 3.4Å; L1082-I1086 PolarHBondContact O-N 2.97Å |
| 1083 | L | 93.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63 | -39.9 | 177 | -68.3 | 178.9 | 0 | 0 | 0 | 111.1 | L1054 A1057 L1061 Y1080 L1081 V1087 L1098 F1102 | L1054-L1083 HydrophobicContact CD1-CD2 4.1Å; A1057-L1083 HydrophobicContact CB-CD2 3.9Å; L1061-L1083 HydrophobicContact CD1-CD1 3.71Å; L1061-L1083 HydrophobicContact CD1-CD2 3.99Å; L1061-L1083 HydrophobicContact CD1-CG 3.65Å; Y1080-L1083 PolarHBondContact O-N 2.92Å; Y1080-L1083 VanDerWaalsContact O-N 3.14Å; L1081-L1083 VanDerWaalsContact C-N 3.31Å; L1081-L1083 PolarHBondContact O-N 3.47Å; L1083-V1087 VanDerWaalsContact O-CG2 3.31Å; L1083-V1087 WeakPolarHBondContact O-CG2 3.43Å; L1083-V1087 PolarHBondContact O-N 3.03Å; L1083-V1087 VanDerWaalsContact O-N 3.17Å; L1083-L1098 HydrophobicContact CB-CD1 4.05Å; L1083-F1102 HydrophobicContact CD1-CB 4.17Å; L1083-F1102 HydrophobicContact CD1-CD1 4.09Å; L1083-F1102 HydrophobicContact CD1-CD2 3.51Å; L1083-F1102 HydrophobicContact CD1-CE1 4.37Å; L1083-F1102 HydrophobicContact CD1-CE2 3.84Å; L1083-F1102 HydrophobicContact CD1-CG 3.65Å; L1083-F1102 HydrophobicContact CD1-CZ 4.26Å |
| 1084 | H | 94.2 | Very high | 91.1 | Very high | 22 Ų | 22 | 36.8 Ų | 36.8 | 10% | 0.102 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -48.2 | 174.4 | -174.2 | -106.7 | 0 | 0 | 0 | 111.2 | L1081 L1082 I1086 V1087 E1088 Y1104 L1107 Y1111 | L1081-H1084 WeakPolarHBondContact O-CB 3.3Å; L1081-H1084 PolarHBondContact O-N 3.18Å; L1082-H1084 VanDerWaalsContact C-N 3.29Å; L1082-H1084 PolarHBondContact O-N 2.63Å; H1084-I1086 PolarHBondContact O-N 3.11Å; H1084-V1087 PolarHBondContact O-N 3.12Å; H1084-E1088 IonicContact CE1-OE2 3.66Å; H1084-E1088 PolarHBondContact CE1-OE2 3.06Å; H1084-E1088 IonicContact ND1-OE2 2.71Å; H1084-E1088 WeakPolarHBondContact O-CB 3.36Å; H1084-E1088 PolarHBondContact O-N 2.99Å; H1084-Y1104 AromaticContact CD2-CE2 3.89Å; H1084-L1107 HydrophobicContact CB-CD1 4.09Å; H1084-L1107 HydrophobicContact CB-CD2 4.28Å; H1084-Y1111 AromaticContact ND1-CE2 3.91Å; H1084-Y1111 AromaticContact ND1-CZ 3.84Å; H1084-Y1111 PolarHBondContact ND1-OH 3.01Å |
| 1085 | M | 94.5 | Very high | 92.2 | Very high | 24 Ų | 24 | 31.2 Ų | 31.2 | 12% | 0.118 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -39.9 | 179.5 | -65.7 | 167.7 | -170.8 | 0 | 0 | 113 | Y1013 H1025 A1028 L1081 L1082 V1087 E1088 D1089 | Y1013-M1085 HydrophobicContact CD2-CE 3.72Å; Y1013-M1085 HydrophobicContact CE2-CE 3.24Å; H1025-M1085 HydrophobicContact CB-CE 4.43Å; H1025-M1085 HydrophobicContact CB-SD 3.6Å; A1028-M1085 HydrophobicContact CB-CB 4.06Å; L1081-M1085 HydrophobicContact CB-CE 4.03Å; L1081-M1085 WeakPolarHBondContact O-CG 3.47Å; L1081-M1085 PolarHBondContact O-N 3.2Å; L1082-M1085 HydrophobicContact CD2-SD 4.21Å; L1082-M1085 PolarHBondContact O-N 3.47Å; M1085-V1087 VanDerWaalsContact C-N 3.33Å; M1085-V1087 PolarHBondContact O-N 3.19Å; M1085-E1088 PolarHBondContact O-N 3.26Å; M1085-D1089 WeakPolarHBondContact O-CB 3.33Å; M1085-D1089 PolarHBondContact O-N 3.3Å |
| 1086 | I | 95.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 176.6 | -71.2 | 158.2 | 0 | 0 | 0 | 110 | A1028 I1031 N1032 F1053 L1082 H1084 S1090 L1093 | A1028-I1086 HydrophobicContact CB-CG1 4.07Å; I1031-I1086 HydrophobicContact CD1-CD1 3.68Å; I1031-I1086 HydrophobicContact CD1-CG1 4.07Å; I1031-I1086 HydrophobicContact CG2-CG2 4.47Å; N1032-I1086 PolarHBondContact ND2-O 2.88Å; F1053-I1086 HydrophobicContact CE1-CD1 4.2Å; F1053-I1086 HydrophobicContact CE1-CG2 4.46Å; L1082-I1086 WeakPolarHBondContact O-CB 3.25Å; L1082-I1086 WeakPolarHBondContact O-CD1 3.27Å; L1082-I1086 WeakPolarHBondContact O-CG1 3.4Å; L1082-I1086 PolarHBondContact O-N 2.97Å; H1084-I1086 PolarHBondContact O-N 3.11Å; I1086-S1090 WeakPolarHBondContact O-CB 3.46Å; I1086-S1090 PolarHBondContact O-N 3.35Å; I1086-L1093 HydrophobicContact CG2-CD1 4.18Å |
| 1087 | V | 95.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.2 | -39.4 | -179.4 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | L1054 L1083 H1084 M1085 D1089 S1090 L1093 L1098 | L1054-V1087 HydrophobicContact CD1-CG2 3.93Å; L1054-V1087 HydrophobicContact CD2-CG2 4.02Å; L1083-V1087 VanDerWaalsContact O-CG2 3.31Å; L1083-V1087 WeakPolarHBondContact O-CG2 3.43Å; L1083-V1087 PolarHBondContact O-N 3.03Å; L1083-V1087 VanDerWaalsContact O-N 3.17Å; H1084-V1087 PolarHBondContact O-N 3.12Å; M1085-V1087 VanDerWaalsContact C-N 3.33Å; M1085-V1087 PolarHBondContact O-N 3.19Å; V1087-D1089 PolarHBondContact O-N 3.15Å; V1087-S1090 PolarHBondContact O-N 3.05Å; V1087-L1093 HydrophobicContact CB-CB 4.46Å; V1087-L1093 HydrophobicContact CG1-CB 4.21Å; V1087-L1093 HydrophobicContact CG2-CB 4.18Å; V1087-L1093 HydrophobicContact CG2-CD1 4.15Å; V1087-L1098 HydrophobicContact CB-CD2 4.27Å; V1087-L1098 HydrophobicContact CG1-CB 4.4Å; V1087-L1098 HydrophobicContact CG2-CB 4.12Å; V1087-L1098 HydrophobicContact CG2-CD1 4.24Å; V1087-L1098 HydrophobicContact CG2-CD2 4.1Å; V1087-L1098 HydrophobicContact CG2-CG 4.39Å |
| 1088 | E | 92.6 | Very high | 93.1 | Very high | 135 Ų | 135 | 32.4 Ų | 32.4 | 63% | 0.631 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -64.2 | -37.7 | 177.8 | -173.4 | 178.3 | -176.5 | 0 | 0 | 112.7 | H1084 M1085 | H1084-E1088 IonicContact CE1-OE2 3.66Å; H1084-E1088 PolarHBondContact CE1-OE2 3.06Å; H1084-E1088 IonicContact ND1-OE2 2.71Å; H1084-E1088 WeakPolarHBondContact O-CB 3.36Å; H1084-E1088 PolarHBondContact O-N 2.99Å; M1085-E1088 PolarHBondContact O-N 3.26Å |
| 1089 | D | 91.3 | Very high | 93.2 | Very high | 48 Ų | 48 | 36.9 Ų | 36.9 | 26% | 0.257 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -80.8 | -16.8 | 179.2 | -175 | 58.6 | 0 | 0 | 0 | 113.5 | K963 A1028 A1029 N1032 M1085 V1087 | K963-D1089 IonicContact NZ-OD1 2.85Å; A1028-D1089 HydrophobicContact CB-CB 4.26Å; A1029-D1089 WeakPolarHBondContact CA-OD2 3.38Å; N1032-D1089 PolarHBondContact ND2-OD2 2.87Å; M1085-D1089 WeakPolarHBondContact O-CB 3.33Å; M1085-D1089 PolarHBondContact O-N 3.3Å; V1087-D1089 PolarHBondContact O-N 3.15Å |
| 1090 | S | 93.3 | Very high | 93.2 | Very high | 10 Ų | 10 | 41.7 Ų | 41.7 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | trans | -87.5 | 128 | -174.5 | -158.5 | 0 | 0 | 0 | 0 | 112.8 | N1032 I1086 V1087 F1092 | N1032-S1090 PolarHBondContact ND2-N 3.23Å; N1032-S1090 WeakPolarHBondContact OD1-CB 3.32Å; N1032-S1090 PolarHBondContact OD1-OG 3.13Å; I1086-S1090 WeakPolarHBondContact O-CB 3.46Å; I1086-S1090 PolarHBondContact O-N 3.35Å; V1087-S1090 PolarHBondContact O-N 3.05Å; S1090-F1092 PolarHBondContact O-N 3.11Å; S1090-F1092 PolarHBondContact OG-N 3.28Å | ||
| 1091 | P | 90.4 | Very high | 93.2 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 46% | 0.455 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -76.4 | -9 | 167.7 | 31.9 | -33.2 | 0 | 0 | 0 | 112.6 | D965 | D965-P1091 HydrophobicContact CB-CB 4.39Å; D965-P1091 HydrophobicContact CB-CG 3.97Å |
| 1092 | F | 92.6 | Very high | 93.1 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 17% | 0.167 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -103.9 | -13.7 | -174.7 | -50.3 | -73.5 | 0 | 0 | 0 | 113.7 | D965 I966 A1036 I1046 E1047 L1050 S1090 | D965-F1092 HydrophobicContact CB-CZ 4.35Å; I966-F1092 HydrophobicContact CG1-CZ 4.38Å; A1036-F1092 HydrophobicContact CB-CE2 3.84Å; A1036-F1092 HydrophobicContact CB-CZ 4.25Å; I1046-F1092 HydrophobicContact CB-CD1 4.36Å; I1046-F1092 HydrophobicContact CB-CE1 4.31Å; I1046-F1092 HydrophobicContact CB-CZ 4.49Å; I1046-F1092 HydrophobicContact CD1-CE1 4.12Å; I1046-F1092 HydrophobicContact CD1-CZ 3.94Å; I1046-F1092 HydrophobicContact CG2-CD1 4.15Å; I1046-F1092 HydrophobicContact CG2-CD2 3.72Å; I1046-F1092 HydrophobicContact CG2-CE1 4.19Å; I1046-F1092 HydrophobicContact CG2-CE2 3.76Å; I1046-F1092 HydrophobicContact CG2-CG 3.93Å; I1046-F1092 HydrophobicContact CG2-CZ 4Å; E1047-F1092 HydrophobicContact CB-CB 4.38Å; L1050-F1092 HydrophobicContact CD1-CB 3.76Å; L1050-F1092 HydrophobicContact CD1-CD2 3.65Å; L1050-F1092 HydrophobicContact CD1-CG 4.05Å; S1090-F1092 PolarHBondContact O-N 3.11Å; S1090-F1092 PolarHBondContact OG-N 3.28Å |
| 1093 | L | 93.8 | Very high | 93.1 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | trans | -112.5 | 144.6 | 178.4 | -63.3 | 174.5 | 0 | 0 | 0 | 109.6 | L1050 K1051 L1054 I1086 V1087 M1097 | L1050-L1093 HydrophobicContact CB-CD1 4.16Å; L1050-L1093 HydrophobicContact CB-CD2 3.86Å; L1050-L1093 HydrophobicContact CB-CG 4.02Å; K1051-L1093 HydrophobicContact CG-CD2 4.16Å; L1054-L1093 HydrophobicContact CD2-CD1 4.36Å; L1054-L1093 HydrophobicContact CD2-CD2 4.19Å; I1086-L1093 HydrophobicContact CG2-CD1 4.18Å; V1087-L1093 HydrophobicContact CB-CB 4.46Å; V1087-L1093 HydrophobicContact CG1-CB 4.21Å; V1087-L1093 HydrophobicContact CG2-CB 4.18Å; V1087-L1093 HydrophobicContact CG2-CD1 4.15Å; L1093-M1097 HydrophobicContact CD2-SD 4.34Å | ||
| 1094 | S | 93.9 | Very high | 93 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | trans | -118.7 | 158.6 | 177.1 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | D1096 M1097 L1098 | S1094-D1096 PolarHBondContact O-N 3.01Å; S1094-M1097 WeakPolarHBondContact O-CB 3.38Å; S1094-M1097 PolarHBondContact O-N 3.15Å; S1094-M1097 VanDerWaalsContact O-N 3.1Å; S1094-M1097 VanDerWaalsContact OG-CG 3.22Å; S1094-M1097 WeakPolarHBondContact OG-CG 3.31Å; S1094-M1097 PolarHBondContact OG-N 2.89Å; S1094-M1097 PolarHBondContact OG-SD 2.91Å; S1094-L1098 PolarHBondContact O-N 2.89Å; S1094-L1098 VanDerWaalsContact O-N 3.13Å | ||
| 1095 | Q | 92 | Very high | 92.9 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.9 | -31.3 | 175.9 | -66.2 | -67 | -17.5 | 0 | 0 | 112 | M1097 L1098 E1099 | Q1095-M1097 VanDerWaalsContact C-N 3.34Å; Q1095-M1097 PolarHBondContact O-N 2.58Å; Q1095-L1098 WeakPolarHBondContact O-CB 3.43Å; Q1095-L1098 PolarHBondContact O-N 3.24Å; Q1095-E1099 PolarHBondContact O-N 3.29Å |
| 1096 | D | 92.4 | Very high | 92.7 | Very high | 134 Ų | 134 | 53.5 Ų | 53.5 | 72% | 0.717 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.1 | -39.5 | 173.6 | -59.2 | -79.3 | 0 | 0 | 0 | 112.2 | S1094 S1100 | S1094-D1096 PolarHBondContact O-N 3.01Å; D1096-S1100 PolarHBondContact O-N 3.46Å |
| 1097 | M | 93.2 | Very high | 92.6 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 175 | -65.8 | 166.5 | -166.3 | 0 | 0 | 111.1 | E1047 K1051 L1054 L1093 S1094 Q1095 S1100 C1101 | E1047-M1097 WeakPolarHBondContact OE1-CE 3.43Å; K1051-M1097 HydrophobicContact CD-SD 4.29Å; K1051-M1097 WeakPolarHBondContact CE-SD 3.42Å; K1051-M1097 HydrophobicContact CG-SD 4.1Å; L1054-M1097 HydrophobicContact CD2-CB 4.46Å; L1093-M1097 HydrophobicContact CD2-SD 4.34Å; S1094-M1097 WeakPolarHBondContact O-CB 3.38Å; S1094-M1097 PolarHBondContact O-N 3.15Å; S1094-M1097 VanDerWaalsContact O-N 3.1Å; S1094-M1097 VanDerWaalsContact OG-CG 3.22Å; S1094-M1097 WeakPolarHBondContact OG-CG 3.31Å; S1094-M1097 PolarHBondContact OG-N 2.89Å; S1094-M1097 PolarHBondContact OG-SD 2.91Å; Q1095-M1097 VanDerWaalsContact C-N 3.34Å; Q1095-M1097 PolarHBondContact O-N 2.58Å; M1097-S1100 PolarHBondContact O-N 3.44Å; M1097-S1100 PolarHBondContact O-OG 3.19Å; M1097-C1101 PolarHBondContact O-SG 3.16Å; M1097-C1101 VanDerWaalsContact O-SG 3.32Å |
| 1098 | L | 93.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -49.6 | 175.2 | -176.9 | 59.6 | 0 | 0 | 0 | 111.6 | L1054 L1083 V1087 S1094 Q1095 S1100 C1101 F1102 L1107 | L1054-L1098 HydrophobicContact CD1-CD1 3.99Å; L1054-L1098 HydrophobicContact CD2-CD1 4.49Å; L1083-L1098 HydrophobicContact CB-CD1 4.05Å; V1087-L1098 HydrophobicContact CB-CD2 4.27Å; V1087-L1098 HydrophobicContact CG1-CB 4.4Å; V1087-L1098 HydrophobicContact CG2-CB 4.12Å; V1087-L1098 HydrophobicContact CG2-CD1 4.24Å; V1087-L1098 HydrophobicContact CG2-CD2 4.1Å; V1087-L1098 HydrophobicContact CG2-CG 4.39Å; S1094-L1098 PolarHBondContact O-N 2.89Å; S1094-L1098 VanDerWaalsContact O-N 3.13Å; Q1095-L1098 WeakPolarHBondContact O-CB 3.43Å; Q1095-L1098 PolarHBondContact O-N 3.24Å; L1098-S1100 PolarHBondContact O-N 2.84Å; L1098-C1101 PolarHBondContact O-N 3.36Å; L1098-C1101 PolarHBondContact O-SG 3.01Å; L1098-C1101 VanDerWaalsContact O-SG 3.38Å; L1098-F1102 HydrophobicContact CD1-CB 3.9Å; L1098-F1102 PolarHBondContact O-N 3.47Å; L1098-L1107 HydrophobicContact CD2-CD1 3.76Å; L1098-L1107 HydrophobicContact CG-CD1 4.49Å |
| 1099 | E | 92.4 | Very high | 92.3 | Very high | 96 Ų | 96 | 56.8 Ų | 56.8 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.3 | -35.3 | -179.2 | -175.5 | 62 | -161.4 | 0 | 0 | 112.2 | Q1095 C1101 Y1104 | Q1095-E1099 PolarHBondContact O-N 3.29Å; E1099-C1101 PolarHBondContact O-N 3.42Å; E1099-Y1104 WeakPolarHBondContact OE2-CB 3.13Å; E1099-Y1104 PolarHBondContact OE2-N 2.83Å |
| 1100 | S | 92.4 | Very high | 92.2 | Very high | 102 Ų | 102 | 54.5 Ų | 54.5 | 71% | 0.713 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65 | -22.6 | 179.2 | 78.5 | 0 | 0 | 0 | 0 | 114.5 | D1096 M1097 L1098 | D1096-S1100 PolarHBondContact O-N 3.46Å; M1097-S1100 PolarHBondContact O-N 3.44Å; M1097-S1100 PolarHBondContact O-OG 3.19Å; L1098-S1100 PolarHBondContact O-N 2.84Å |
| 1101 | C | 91.3 | Very high | 92 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 14% | 0.142 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -124.1 | -16.9 | -175.7 | 62 | 0 | 0 | 0 | 0 | 114.3 | L1055 S1058 L1062 M1097 L1098 E1099 | L1055-C1101 HydrophobicContact CD1-CB 3.97Å; S1058-C1101 WeakPolarHBondContact CB-O 3.4Å; S1058-C1101 PolarHBondContact OG-SG 2.73Å; L1062-C1101 WeakPolarHBondContact CD1-O 3.36Å; M1097-C1101 PolarHBondContact O-SG 3.16Å; M1097-C1101 VanDerWaalsContact O-SG 3.32Å; L1098-C1101 PolarHBondContact O-N 3.36Å; L1098-C1101 PolarHBondContact O-SG 3.01Å; L1098-C1101 VanDerWaalsContact O-SG 3.38Å; E1099-C1101 PolarHBondContact O-N 3.42Å |
| 1102 | F | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -147.6 | 105.4 | 177.5 | -161.9 | -88.6 | 0 | 0 | 0 | 110.5 | L1061 L1062 Y1080 L1083 L1098 Y1104 L1106 L1107 | L1061-F1102 HydrophobicContact CB-CE2 4.3Å; L1062-F1102 HydrophobicContact CD1-CD2 4.27Å; L1062-F1102 HydrophobicContact CD2-CD2 3.86Å; L1062-F1102 HydrophobicContact CD2-CE2 3.68Å; L1062-F1102 HydrophobicContact CD2-CZ 4.47Å; L1062-F1102 HydrophobicContact CG-CD2 3.75Å; L1062-F1102 HydrophobicContact CG-CE2 3.82Å; Y1080-F1102 HydrophobicContact CD1-CE2 4.37Å; Y1080-F1102 AromaticContact CD1-CZ 3.85Å; Y1080-F1102 HydrophobicContact CD1-CZ 3.85Å; Y1080-F1102 AromaticContact CD2-CZ 3.94Å; Y1080-F1102 HydrophobicContact CD2-CZ 3.94Å; Y1080-F1102 HydrophobicContact CE1-CE2 4.39Å; Y1080-F1102 HydrophobicContact CE1-CZ 4.14Å; Y1080-F1102 HydrophobicContact CE2-CZ 4.22Å; Y1080-F1102 HydrophobicContact CG-CE1 4.43Å; Y1080-F1102 AromaticContact CG-CZ 3.73Å; Y1080-F1102 HydrophobicContact CG-CZ 3.73Å; L1083-F1102 HydrophobicContact CD1-CB 4.17Å; L1083-F1102 HydrophobicContact CD1-CD1 4.09Å; L1083-F1102 HydrophobicContact CD1-CD2 3.51Å; L1083-F1102 HydrophobicContact CD1-CE1 4.37Å; L1083-F1102 HydrophobicContact CD1-CE2 3.84Å; L1083-F1102 HydrophobicContact CD1-CG 3.65Å; L1083-F1102 HydrophobicContact CD1-CZ 4.26Å; L1098-F1102 HydrophobicContact CD1-CB 3.9Å; L1098-F1102 PolarHBondContact O-N 3.47Å; F1102-Y1104 PolarHBondContact O-N 2.88Å; F1102-L1106 HydrophobicContact CD1-CB 4.48Å; F1102-L1106 HydrophobicContact CE1-CB 3.66Å; F1102-L1106 HydrophobicContact CE1-CD1 3.95Å; F1102-L1106 HydrophobicContact CE1-CG 4.45Å; F1102-L1106 HydrophobicContact CE2-CD1 4.16Å; F1102-L1106 HydrophobicContact CZ-CB 4.05Å; F1102-L1106 HydrophobicContact CZ-CD1 3.75Å; F1102-L1107 HydrophobicContact CD1-CD1 4.29Å; F1102-L1107 HydrophobicContact CD1-CD2 4.14Å; F1102-L1107 HydrophobicContact CD1-CG 3.99Å; F1102-L1107 HydrophobicContact CE1-CD2 3.73Å; F1102-L1107 HydrophobicContact CE1-CG 3.85Å |
| 1103 | P | 93.1 | Very high | 91.6 | Very high | 55 Ų | 55 | 61.5 Ų | 61.5 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | trans | -60.9 | 128 | -174.8 | -24.7 | 33.3 | 0 | 0 | 0 | 113.3 | V1105 L1106 | P1103-V1105 PolarHBondContact O-N 3.21Å; P1103-L1106 WeakPolarHBondContact O-CB 3.16Å; P1103-L1106 PolarHBondContact O-N 3.31Å | ||
| 1104 | Y | 91.8 | Very high | 91.2 | Very high | 99 Ų | 99 | 61.4 Ų | 61.4 | 39% | 0.388 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.5 | -22.5 | -177.4 | -170.7 | -94.5 | 0 | 0 | 0 | 113.3 | H1084 E1099 F1102 L1106 L1107 R1108 | H1084-Y1104 AromaticContact CD2-CE2 3.89Å; E1099-Y1104 WeakPolarHBondContact OE2-CB 3.13Å; E1099-Y1104 PolarHBondContact OE2-N 2.83Å; F1102-Y1104 PolarHBondContact O-N 2.88Å; Y1104-L1106 PolarHBondContact O-N 3.19Å; Y1104-L1107 HydrophobicContact CD2-CB 4.33Å; Y1104-L1107 HydrophobicContact CD2-CD1 3.85Å; Y1104-L1107 HydrophobicContact CE2-CD1 4.34Å; Y1104-L1107 WeakPolarHBondContact O-CB 3.38Å; Y1104-L1107 PolarHBondContact O-N 2.69Å; Y1104-R1108 HydrophobicContact CD1-CB 4.38Å; Y1104-R1108 HydrophobicContact CE1-CB 4.29Å; Y1104-R1108 WeakPolarHBondContact O-CB 3.33Å; Y1104-R1108 PolarHBondContact O-N 3.13Å |
| 1105 | V | 91.8 | Very high | 90.5 | Very high | 73 Ų | 73 | 62.7 Ų | 62.7 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.8 | -34.4 | 173.4 | 179.4 | 0 | 0 | 0 | 0 | 112 | P1103 N1109 | P1103-V1105 PolarHBondContact O-N 3.21Å; V1105-N1109 WeakPolarHBondContact O-CB 3.44Å; V1105-N1109 VanDerWaalsContact O-CG 3.24Å; V1105-N1109 PolarHBondContact O-N 3.21Å; V1105-N1109 VanDerWaalsContact O-N 3.09Å; V1105-N1109 PolarHBondContact O-ND2 2.86Å |
| 1106 | L | 91.4 | Very high | 89.5 | Confident | 60 Ų | 60 | 63.3 Ų | 63.3 | 31% | 0.314 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 175 | -65.4 | 179.4 | 0 | 0 | 0 | 111.3 | L1062 F1102 P1103 Y1104 N1109 A1110 | L1062-L1106 HydrophobicContact CD2-CD1 3.51Å; F1102-L1106 HydrophobicContact CD1-CB 4.48Å; F1102-L1106 HydrophobicContact CE1-CB 3.66Å; F1102-L1106 HydrophobicContact CE1-CD1 3.95Å; F1102-L1106 HydrophobicContact CE1-CG 4.45Å; F1102-L1106 HydrophobicContact CE2-CD1 4.16Å; F1102-L1106 HydrophobicContact CZ-CB 4.05Å; F1102-L1106 HydrophobicContact CZ-CD1 3.75Å; P1103-L1106 WeakPolarHBondContact O-CB 3.16Å; P1103-L1106 PolarHBondContact O-N 3.31Å; Y1104-L1106 PolarHBondContact O-N 3.19Å; L1106-N1109 PolarHBondContact O-N 3.07Å; L1106-A1110 WeakPolarHBondContact O-CB 3.3Å; L1106-A1110 PolarHBondContact O-N 3.14Å |
| 1107 | L | 92 | Very high | 87.8 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 177.2 | -61.3 | 171.4 | 0 | 0 | 0 | 111.5 | Y1080 H1084 L1098 F1102 Y1104 N1109 A1110 Y1111 | Y1080-L1107 WeakPolarHBondContact O-CD2 3.28Å; H1084-L1107 HydrophobicContact CB-CD1 4.09Å; H1084-L1107 HydrophobicContact CB-CD2 4.28Å; L1098-L1107 HydrophobicContact CD2-CD1 3.76Å; L1098-L1107 HydrophobicContact CG-CD1 4.49Å; F1102-L1107 HydrophobicContact CD1-CD1 4.29Å; F1102-L1107 HydrophobicContact CD1-CD2 4.14Å; F1102-L1107 HydrophobicContact CD1-CG 3.99Å; F1102-L1107 HydrophobicContact CE1-CD2 3.73Å; F1102-L1107 HydrophobicContact CE1-CG 3.85Å; Y1104-L1107 HydrophobicContact CD2-CB 4.33Å; Y1104-L1107 HydrophobicContact CD2-CD1 3.85Å; Y1104-L1107 HydrophobicContact CE2-CD1 4.34Å; Y1104-L1107 WeakPolarHBondContact O-CB 3.38Å; Y1104-L1107 PolarHBondContact O-N 2.69Å; L1107-N1109 VanDerWaalsContact C-N 3.3Å; L1107-N1109 PolarHBondContact O-N 3.27Å; L1107-A1110 WeakPolarHBondContact O-CB 3.43Å; L1107-A1110 PolarHBondContact O-N 3.48Å; L1107-A1110 VanDerWaalsContact O-N 3.15Å; L1107-Y1111 VanDerWaalsContact O-CD2 3.29Å; L1107-Y1111 WeakPolarHBondContact O-CD2 3.5Å; L1107-Y1111 PolarHBondContact O-N 3.01Å |
| 1108 | R | 91.9 | Very high | 85.8 | Confident | 143 Ų | 143 | 62.9 Ų | 62.9 | 54% | 0.54 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.7 | -43.7 | 176 | -174.5 | -172 | 69.3 | -171.4 | -0.3 | 111.8 | Y1104 R1112 | Y1104-R1108 HydrophobicContact CD1-CB 4.38Å; Y1104-R1108 HydrophobicContact CE1-CB 4.29Å; Y1104-R1108 WeakPolarHBondContact O-CB 3.33Å; Y1104-R1108 PolarHBondContact O-N 3.13Å; R1108-R1112 WeakPolarHBondContact O-CB 3.44Å; R1108-R1112 PolarHBondContact O-N 2.95Å |
| 1109 | N | 90.1 | Very high | 83.2 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 35% | 0.353 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.3 | -40.2 | 177.1 | -71 | -12.4 | 0 | 0 | 0 | 111.2 | V1105 L1106 L1107 R1112 E1113 | V1105-N1109 WeakPolarHBondContact O-CB 3.44Å; V1105-N1109 VanDerWaalsContact O-CG 3.24Å; V1105-N1109 PolarHBondContact O-N 3.21Å; V1105-N1109 VanDerWaalsContact O-N 3.09Å; V1105-N1109 PolarHBondContact O-ND2 2.86Å; L1106-N1109 PolarHBondContact O-N 3.07Å; L1107-N1109 VanDerWaalsContact C-N 3.3Å; L1107-N1109 PolarHBondContact O-N 3.27Å; N1109-R1112 WeakPolarHBondContact O-CB 3.46Å; N1109-R1112 PolarHBondContact O-N 3.15Å; N1109-R1112 VanDerWaalsContact O-N 3.16Å; N1109-E1113 WeakPolarHBondContact O-CG 3.29Å; N1109-E1113 PolarHBondContact O-N 3.49Å |
| 1110 | A | 89.8 | Confident | 80.3 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | E1077 L1081 L1106 L1107 R1112 E1113 V1114 | E1077-A1110 HydrophobicContact CB-CB 3.92Å; E1077-A1110 HydrophobicContact CG-CB 4.37Å; E1077-A1110 WeakPolarHBondContact O-CB 3.4Å; L1081-A1110 HydrophobicContact CD2-CB 3.7Å; L1081-A1110 HydrophobicContact CG-CB 4.37Å; L1106-A1110 WeakPolarHBondContact O-CB 3.3Å; L1106-A1110 PolarHBondContact O-N 3.14Å; L1107-A1110 WeakPolarHBondContact O-CB 3.43Å; L1107-A1110 PolarHBondContact O-N 3.48Å; L1107-A1110 VanDerWaalsContact O-N 3.15Å; A1110-R1112 VanDerWaalsContact C-N 3.33Å; A1110-R1112 PolarHBondContact O-N 2.93Å; A1110-E1113 PolarHBondContact O-N 2.92Å; A1110-V1114 WeakPolarHBondContact O-CG2 3.16Å; A1110-V1114 PolarHBondContact O-N 3.18Å; A1110-V1114 VanDerWaalsContact O-N 3.08Å |
| 1111 | Y | 89.8 | Confident | 77.4 | Confident | 44 Ų | 44 | 75.6 Ų | 75.6 | 17% | 0.173 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55.8 | -47.9 | 171.9 | -83.4 | -63.9 | 0 | 0 | 0 | 110.9 | L1081 H1084 L1107 E1113 V1114 H1115 | L1081-Y1111 HydrophobicContact CD1-CD1 4Å; L1081-Y1111 HydrophobicContact CD1-CE1 3.92Å; L1081-Y1111 HydrophobicContact CD2-CD1 3.91Å; L1081-Y1111 HydrophobicContact CD2-CD2 3.64Å; L1081-Y1111 HydrophobicContact CD2-CE1 3.91Å; L1081-Y1111 HydrophobicContact CD2-CE2 3.64Å; L1081-Y1111 HydrophobicContact CD2-CG 3.77Å; L1081-Y1111 HydrophobicContact CG-CE1 4.41Å; H1084-Y1111 AromaticContact ND1-CE2 3.91Å; H1084-Y1111 AromaticContact ND1-CZ 3.84Å; H1084-Y1111 PolarHBondContact ND1-OH 3.01Å; L1107-Y1111 VanDerWaalsContact O-CD2 3.29Å; L1107-Y1111 WeakPolarHBondContact O-CD2 3.5Å; L1107-Y1111 PolarHBondContact O-N 3.01Å; Y1111-E1113 VanDerWaalsContact C-N 3.31Å; Y1111-E1113 PolarHBondContact O-N 3.38Å; Y1111-V1114 VanDerWaalsContact O-CG2 3.27Å; Y1111-V1114 WeakPolarHBondContact O-CG2 3.18Å; Y1111-V1114 PolarHBondContact O-N 2.56Å; Y1111-H1115 WeakPolarHBondContact O-CB 3.43Å; Y1111-H1115 PolarHBondContact O-CD2 3.25Å; Y1111-H1115 PolarHBondContact O-N 3.34Å |
| 1112 | R | 88.8 | Confident | 74.5 | Confident | 152 Ų | 152 | 81.4 Ų | 81.4 | 57% | 0.574 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -57 | -42.1 | 178.9 | -174.7 | -176.4 | -178 | -162.7 | -1.6 | 112.8 | R1108 N1109 A1110 K1116 | R1108-R1112 WeakPolarHBondContact O-CB 3.44Å; R1108-R1112 PolarHBondContact O-N 2.95Å; N1109-R1112 WeakPolarHBondContact O-CB 3.46Å; N1109-R1112 PolarHBondContact O-N 3.15Å; N1109-R1112 VanDerWaalsContact O-N 3.16Å; A1110-R1112 VanDerWaalsContact C-N 3.33Å; A1110-R1112 PolarHBondContact O-N 2.93Å; R1112-K1116 HydrophobicContact CG-CD 4.39Å; R1112-K1116 VanDerWaalsContact NE-CE 3.32Å; R1112-K1116 WeakPolarHBondContact O-CB 3.47Å; R1112-K1116 VanDerWaalsContact O-CG 3.29Å; R1112-K1116 WeakPolarHBondContact O-CG 3.42Å; R1112-K1116 PolarHBondContact O-N 3.03Å |
| 1113 | E | 85.1 | Confident | 71.5 | Confident | 68 Ų | 68 | 89.7 Ų | 89.7 | 32% | 0.318 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.5 | -43.9 | -178 | -68.3 | -52.3 | 127.6 | 0 | 0 | 112.4 | E1077 N1109 A1110 Y1111 H1115 K1116 A1117 | E1077-E1113 WeakPolarHBondContact OE2-CB 3.5Å; N1109-E1113 WeakPolarHBondContact O-CG 3.29Å; N1109-E1113 PolarHBondContact O-N 3.49Å; A1110-E1113 PolarHBondContact O-N 2.92Å; Y1111-E1113 VanDerWaalsContact C-N 3.31Å; Y1111-E1113 PolarHBondContact O-N 3.38Å; E1113-H1115 VanDerWaalsContact C-N 3.25Å; E1113-H1115 PolarHBondContact O-N 2.8Å; E1113-K1116 PolarHBondContact O-N 2.92Å; E1113-K1116 VanDerWaalsContact O-N 3.17Å; E1113-K1116 IonicContact OE1-NZ 2.74Å; E1113-K1116 PolarHBondContact OE1-NZ 2.84Å; E1113-K1116 IonicContact OE2-NZ 3.99Å; E1113-A1117 PolarHBondContact O-N 2.91Å |
| 1114 | V | 84.7 | Confident | 70.4 | Confident | 11 Ų | 11 | 91.4 Ų | 91.4 | 7% | 0.067 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -65.6 | -29.6 | 176.5 | -58 | 0 | 0 | 0 | 0 | 112.4 | Y1013 S1078 L1081 A1110 Y1111 | Y1013-V1114 HydrophobicContact CD1-CB 4.15Å; Y1013-V1114 HydrophobicContact CD1-CG2 3.63Å; Y1013-V1114 HydrophobicContact CE1-CG2 4.31Å; Y1013-V1114 HydrophobicContact CG-CG2 4.42Å; S1078-V1114 WeakPolarHBondContact OG-CG1 3.25Å; L1081-V1114 HydrophobicContact CD1-CG1 4.45Å; L1081-V1114 HydrophobicContact CD1-CG2 3.97Å; A1110-V1114 WeakPolarHBondContact O-CG2 3.16Å; A1110-V1114 PolarHBondContact O-N 3.18Å; A1110-V1114 VanDerWaalsContact O-N 3.08Å; Y1111-V1114 VanDerWaalsContact O-CG2 3.27Å; Y1111-V1114 WeakPolarHBondContact O-CG2 3.18Å; Y1111-V1114 PolarHBondContact O-N 2.56Å |
| 1115 | H | 80.2 | Confident | 69.3 | Low | 66 Ų | 66 | 91 Ų | 91 | 31% | 0.306 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -77.9 | -28.2 | 174.3 | -80.1 | -72.1 | 0 | 0 | 0 | 113.7 | Q1015 Y1111 E1113 | Q1015-H1115 PolarHBondContact OE1-ND1 2.86Å; Y1111-H1115 WeakPolarHBondContact O-CB 3.43Å; Y1111-H1115 PolarHBondContact O-CD2 3.25Å; Y1111-H1115 PolarHBondContact O-N 3.34Å; E1113-H1115 VanDerWaalsContact C-N 3.25Å; E1113-H1115 PolarHBondContact O-N 2.8Å |
| 1116 | K | 70.6 | Confident | 68 | Low | 88 Ų | 88 | 92 Ų | 92 | 38% | 0.383 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.1 | -32.6 | 177.2 | -84.6 | 175.4 | -176 | 167.2 | 0 | 113.4 | R1112 E1113 V1118 F1119 | R1112-K1116 HydrophobicContact CG-CD 4.39Å; R1112-K1116 VanDerWaalsContact NE-CE 3.32Å; R1112-K1116 WeakPolarHBondContact O-CB 3.47Å; R1112-K1116 VanDerWaalsContact O-CG 3.29Å; R1112-K1116 WeakPolarHBondContact O-CG 3.42Å; R1112-K1116 PolarHBondContact O-N 3.03Å; E1113-K1116 PolarHBondContact O-N 2.92Å; E1113-K1116 VanDerWaalsContact O-N 3.17Å; E1113-K1116 IonicContact OE1-NZ 2.74Å; E1113-K1116 PolarHBondContact OE1-NZ 2.84Å; E1113-K1116 IonicContact OE2-NZ 3.99Å; K1116-V1118 PolarHBondContact O-N 3.42Å; K1116-F1119 PolarHBondContact O-N 3.1Å |
| 1117 | A | 56.8 | Low | 66.6 | Low | 77 Ų | 77 | 93.9 Ų | 93.9 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -58.1 | -15.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1113 | E1113-A1117 PolarHBondContact O-N 2.91Š|
| 1118 | V | 50.4 | Low | 65.1 | Low | 96 Ų | 96 | 99.8 Ų | 99.8 | 58% | 0.582 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -78.9 | -19.3 | 178.2 | -176.4 | 0 | 0 | 0 | 0 | 113.4 | K1116 | K1116-V1118 PolarHBondContact O-N 3.42Š|
| 1119 | F | 39.7 | Very low | 63.3 | Low | 178 Ų | 178 | 96.9 Ų | 96.9 | 78% | 0.781 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -95 | 4.4 | -170.8 | -89 | -80.3 | 0 | 0 | 0 | 116.4 | K1116 P1121 | K1116-F1119 PolarHBondContact O-N 3.1Å; F1119-P1121 WeakPolarHBondContact O-CD 3.49Å |
| 1120 | M | 31.6 | Very low | 61.4 | Low | 168 Ų | 168 | 99.1 Ų | 99.1 | 83% | 0.828 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -88.9 | 114 | 169.2 | -76.6 | -154.9 | 174 | 0 | 0 | 110.1 | T1122 | M1120-T1122 PolarHBondContact O-N 3.07Š|
| 1121 | P | 31.6 | Very low | 59.2 | Low | 121 Ų | 121 | 106.6 Ų | 106.6 | 79% | 0.786 | 60% | 0.596 | S | S | * | * | trans | -65 | 124.2 | 171.6 | 27.5 | -30.3 | 0 | 0 | 0 | 108.1 | F1119 A1123 | F1119-P1121 WeakPolarHBondContact O-CD 3.49Å; P1121-A1123 PolarHBondContact O-N 3.28Å; P1121-A1123 VanDerWaalsContact O-N 3.1Å | ||
| 1122 | T | 30.9 | Very low | 56.6 | Low | 143 Ų | 143 | 111.8 Ų | 111.8 | 88% | 0.877 | 63% | 0.631 | S | S | * | * | trans | -58.1 | 111.5 | 161.5 | 45.9 | 0 | 0 | 0 | 0 | 107.8 | M1120 | M1120-T1122 PolarHBondContact O-N 3.07Š| ||
| 1123 | A | 29.1 | Very low | 53.7 | Low | 174 Ų | 174 | 108.2 Ų | 108.2 | 100% | 1.438 | 64% | 0.636 | S | S | * | * | trans | -75.8 | 0 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | P1121 | P1121-A1123 PolarHBondContact O-N 3.28Å; P1121-A1123 VanDerWaalsContact O-N 3.1Å |
Retrieved 1,123 of 1,123 residues in 1091.6 ms
(Link to these results)