| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.7 | Very low | 65 | Low | 236 Ų | 236 | 86.5 Ų | 86.5 | 100% | 1.163 | 45% | 0.454 | S | S | * | . | 0 | 5.8 | 0 | -86.5 | -165.7 | -109.8 | 0 | 0 | 114.5 | |||||
| 2 | S | 41.1 | Very low | 67.5 | Low | 78 Ų | 78 | 79.4 Ų | 79.4 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | trans | -109.4 | -1.5 | 178.8 | 66.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 3 | L | 44.8 | Very low | 69.7 | Low | 99 Ų | 99 | 75.9 Ų | 75.9 | 52% | 0.518 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -84.3 | -29.8 | -177.8 | -83 | 148.5 | 0 | 0 | 0 | 112.7 | S5 P502 | L3-S5 VanDerWaalsContact C-N 3.27Å; L3-S5 PolarHBondContact O-N 3.35Å; L3-P502 HydrophobicContact CD2-CG 4.35Å |
| 4 | T | 50.3 | Low | 71.6 | Confident | 93 Ų | 93 | 75.4 Ų | 75.4 | 57% | 0.571 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.5 | -17.4 | 178.9 | 33.6 | 0 | 0 | 0 | 0 | 114.1 | Q8 | T4-Q8 VanDerWaalsContact O-CG 3.28Å; T4-Q8 WeakPolarHBondContact O-CG 3.35Å |
| 5 | S | 58.7 | Low | 73.4 | Confident | 50 Ų | 50 | 70.4 Ų | 70.4 | 35% | 0.35 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -81.2 | -28.5 | -178.4 | 72.8 | 0 | 0 | 0 | 0 | 113.7 | L3 Q8 H9 | L3-S5 VanDerWaalsContact C-N 3.27Å; L3-S5 PolarHBondContact O-N 3.35Å; S5-Q8 PolarHBondContact O-N 3.48Å; S5-H9 PolarHBondContact O-CD2 2.94Å; S5-H9 VanDerWaalsContact O-CG 3.3Å; S5-H9 PolarHBondContact O-N 3.27Å; S5-H9 PolarHBondContact O-NE2 2.77Å |
| 6 | A | 61.9 | Low | 74.8 | Confident | 22 Ų | 22 | 69.9 Ų | 69.9 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67 | -43.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q8 H9 V498 | A6-Q8 VanDerWaalsContact C-N 3.29Å; A6-Q8 PolarHBondContact O-N 3.08Å; A6-H9 PolarHBondContact O-N 3.24Å; A6-V498 HydrophobicContact CB-CG2 4.29Å |
| 7 | Y | 74 | Confident | 76.1 | Confident | 55 Ų | 55 | 72.5 Ų | 72.5 | 22% | 0.216 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.7 | -32.5 | 174.9 | -54.7 | -69 | 0 | 0 | 0 | 112.7 | H9 E454 E455 Y495 | Y7-H9 VanDerWaalsContact C-N 3.3Å; Y7-H9 PolarHBondContact O-N 3.09Å; Y7-E454 HydrophobicContact CE1-CB 4.37Å; Y7-E455 WeakPolarHBondContact CE1-OE1 3.49Å; Y7-E455 PolarHBondContact OH-OE1 2.91Å; Y7-E455 PolarHBondContact OH-OE2 2.95Å; Y7-Y495 AromaticContact CD1-CD1 3.73Å; Y7-Y495 HydrophobicContact CD1-CD1 3.73Å; Y7-Y495 AromaticContact CD1-CD2 3.75Å; Y7-Y495 HydrophobicContact CD1-CD2 3.75Å; Y7-Y495 AromaticContact CD1-CE1 3.82Å; Y7-Y495 HydrophobicContact CD1-CE1 3.82Å; Y7-Y495 AromaticContact CD1-CE2 3.83Å; Y7-Y495 HydrophobicContact CD1-CE2 3.83Å; Y7-Y495 AromaticContact CD1-CG 3.71Å; Y7-Y495 HydrophobicContact CD1-CG 3.71Å; Y7-Y495 AromaticContact CD1-CZ 3.87Å; Y7-Y495 HydrophobicContact CE1-CD1 4.21Å; Y7-Y495 AromaticContact CE1-CD2 3.76Å; Y7-Y495 HydrophobicContact CE1-CD2 3.76Å; Y7-Y495 HydrophobicContact CE1-CE2 4.25Å; Y7-Y495 AromaticContact CE1-CG 3.75Å; Y7-Y495 HydrophobicContact CE1-CG 3.75Å |
| 8 | Q | 77.9 | Confident | 77.3 | Confident | 143 Ų | 143 | 69.6 Ų | 69.6 | 67% | 0.668 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -73 | -19.6 | -179.3 | -71.4 | 178.5 | -8.9 | 0 | 0 | 113.5 | T4 S5 A6 K10 | T4-Q8 VanDerWaalsContact O-CG 3.28Å; T4-Q8 WeakPolarHBondContact O-CG 3.35Å; S5-Q8 PolarHBondContact O-N 3.48Å; A6-Q8 VanDerWaalsContact C-N 3.29Å; A6-Q8 PolarHBondContact O-N 3.08Å; Q8-K10 VanDerWaalsContact C-N 3.28Å; Q8-K10 PolarHBondContact O-N 3.45Å |
| 9 | H | 85.9 | Confident | 78.4 | Confident | 52 Ų | 52 | 66.9 Ų | 66.9 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -22 | -179.2 | -68 | -42.2 | 0 | 0 | 0 | 113.9 | S5 A6 Y7 L11 K14 T111 | S5-H9 PolarHBondContact O-CD2 2.94Å; S5-H9 VanDerWaalsContact O-CG 3.3Å; S5-H9 PolarHBondContact O-N 3.27Å; S5-H9 PolarHBondContact O-NE2 2.77Å; A6-H9 PolarHBondContact O-N 3.24Å; Y7-H9 VanDerWaalsContact C-N 3.3Å; Y7-H9 PolarHBondContact O-N 3.09Å; H9-L11 VanDerWaalsContact C-N 3.3Å; H9-L11 HydrophobicContact CB-CD2 4.02Å; H9-L11 HydrophobicContact CB-CG 4.09Å; H9-L11 PolarHBondContact O-N 3.37Å; H9-K14 WeakPolarHBondContact O-CD 3.45Å; H9-K14 WeakPolarHBondContact O-CE 3.48Å; H9-T111 HydrophobicContact CB-CG2 4.22Å |
| 10 | K | 93 | Very high | 79.3 | Confident | 119 Ų | 119 | 68.5 Ų | 68.5 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | trans | 49.8 | 47.4 | 176.8 | -63.4 | -176.7 | 177.6 | -173.9 | 0 | 113.1 | Q8 A12 E13 K14 | Q8-K10 VanDerWaalsContact C-N 3.28Å; Q8-K10 PolarHBondContact O-N 3.45Å; K10-A12 VanDerWaalsContact C-N 3.32Å; K10-A12 PolarHBondContact O-N 3.35Å; K10-E13 WeakPolarHBondContact CA-OE2 3.49Å; K10-E13 HydrophobicContact CB-CB 4.4Å; K10-E13 WeakPolarHBondContact CB-OE2 3.42Å; K10-E13 PolarHBondContact O-N 3.15Å; K10-K14 WeakPolarHBondContact O-CB 3.32Å; K10-K14 WeakPolarHBondContact O-CG 3.2Å; K10-K14 PolarHBondContact O-N 3.31Å | ||
| 11 | L | 94.3 | Very high | 80.1 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.7 | -40.9 | -172.5 | -62.5 | 179.2 | 0 | 0 | 0 | 112 | H9 L15 L108 T111 I112 F127 A494 | H9-L11 VanDerWaalsContact C-N 3.3Å; H9-L11 HydrophobicContact CB-CD2 4.02Å; H9-L11 HydrophobicContact CB-CG 4.09Å; H9-L11 PolarHBondContact O-N 3.37Å; L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 VanDerWaalsContact O-CG 3.25Å; L11-L15 WeakPolarHBondContact O-CG 3.45Å; L11-L15 PolarHBondContact O-N 2.83Å; L11-L108 HydrophobicContact CD2-CD1 3.62Å; L11-T111 HydrophobicContact CD2-CG2 4.15Å; L11-I112 HydrophobicContact CD2-CG1 4.17Å; L11-F127 HydrophobicContact CB-CE2 4.23Å; L11-F127 HydrophobicContact CD1-CE2 4.43Å; L11-F127 HydrophobicContact CD1-CZ 4.13Å; L11-A494 HydrophobicContact CB-CB 4.14Å |
| 12 | A | 95 | Very high | 83.2 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K10 T16 F490 R491 | K10-A12 VanDerWaalsContact C-N 3.32Å; K10-A12 PolarHBondContact O-N 3.35Å; A12-T16 WeakPolarHBondContact O-CB 3.41Å; A12-T16 PolarHBondContact O-N 3.4Å; A12-T16 PolarHBondContact O-OG1 3.49Å; A12-F490 HydrophobicContact CB-CB 4.31Å; A12-F490 HydrophobicContact CB-CD1 4.19Å; A12-F490 HydrophobicContact CB-CD2 3.81Å; A12-F490 HydrophobicContact CB-CE1 4.47Å; A12-F490 HydrophobicContact CB-CE2 4.02Å; A12-F490 HydrophobicContact CB-CG 3.84Å; A12-F490 HydrophobicContact CB-CZ 4.37Å; A12-R491 HydrophobicContact CB-CG 4.07Å |
| 13 | E | 96.4 | Very high | 85.8 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 16% | 0.159 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.2 | -46.3 | 178.2 | -62 | 91.6 | 154.6 | 0 | 0 | 111.9 | K10 L15 T16 I17 R491 | K10-E13 WeakPolarHBondContact CA-OE2 3.49Å; K10-E13 HydrophobicContact CB-CB 4.4Å; K10-E13 WeakPolarHBondContact CB-OE2 3.42Å; K10-E13 PolarHBondContact O-N 3.15Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 3.44Å; E13-T16 PolarHBondContact O-N 3.15Å; E13-I17 WeakPolarHBondContact O-CB 3.42Å; E13-I17 VanDerWaalsContact O-CG1 3.3Å; E13-I17 WeakPolarHBondContact O-CG1 3.45Å; E13-I17 PolarHBondContact O-N 3.33Å; E13-R491 IonicContact OE1-CZ 2.88Å; E13-R491 VanDerWaalsContact OE1-CZ 3.29Å; E13-R491 IonicContact OE1-NE 3.93Å; E13-R491 PolarHBondContact OE1-NE 3.49Å; E13-R491 IonicContact OE1-NH2 2.71Å; E13-R491 PolarHBondContact OE1-NH2 3.06Å |
| 14 | K | 96.8 | Very high | 88.2 | Confident | 69 Ų | 69 | 52.8 Ų | 52.8 | 30% | 0.3 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 178.1 | -72.9 | -173.8 | 178.3 | -170.6 | 0 | 111.1 | H9 K10 L18 E107 L108 | H9-K14 WeakPolarHBondContact O-CD 3.45Å; H9-K14 WeakPolarHBondContact O-CE 3.48Å; K10-K14 WeakPolarHBondContact O-CB 3.32Å; K10-K14 WeakPolarHBondContact O-CG 3.2Å; K10-K14 PolarHBondContact O-N 3.31Å; K14-L18 WeakPolarHBondContact O-CB 3.3Å; K14-L18 VanDerWaalsContact O-CG 3.23Å; K14-L18 WeakPolarHBondContact O-CG 3.46Å; K14-L18 PolarHBondContact O-N 3.41Å; K14-E107 IonicContact NZ-OE1 2.94Å; K14-L108 HydrophobicContact CB-CD1 4.09Å; K14-L108 HydrophobicContact CB-CD2 4.03Å; K14-L108 HydrophobicContact CD-CD1 4.02Å |
| 15 | L | 97.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.8 | -77.7 | 172.2 | 0 | 0 | 0 | 112 | L11 E13 N19 L108 F127 L134 F490 | L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 VanDerWaalsContact O-CG 3.25Å; L11-L15 WeakPolarHBondContact O-CG 3.45Å; L11-L15 PolarHBondContact O-N 2.83Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 3.44Å; L15-N19 WeakPolarHBondContact O-CB 3.45Å; L15-N19 PolarHBondContact O-N 3.42Å; L15-N19 PolarHBondContact O-ND2 3.18Å; L15-L108 HydrophobicContact CD2-CD2 3.75Å; L15-L108 HydrophobicContact CG-CD2 4.02Å; L15-F127 HydrophobicContact CD1-CD2 3.48Å; L15-F127 VanDerWaalsContact CD1-CD2 3.48Å; L15-F127 HydrophobicContact CD1-CE2 3.52Å; L15-L134 HydrophobicContact CD2-CB 4.39Å; L15-L134 HydrophobicContact CD2-CD2 3.78Å; L15-F490 HydrophobicContact CB-CZ 4.11Å; L15-F490 HydrophobicContact CD1-CE2 4.41Å; L15-F490 HydrophobicContact CD1-CZ 4.16Å |
| 16 | T | 96.6 | Very high | 92.1 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 39% | 0.387 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.1 | -51.1 | 179 | -57.8 | 0 | 0 | 0 | 0 | 111 | A12 E13 D20 F490 | A12-T16 WeakPolarHBondContact O-CB 3.41Å; A12-T16 PolarHBondContact O-N 3.4Å; A12-T16 PolarHBondContact O-OG1 3.49Å; E13-T16 PolarHBondContact O-N 3.15Å; T16-D20 PolarHBondContact O-N 3.33Å; T16-F490 WeakPolarHBondContact OG1-CE1 3.22Å |
| 17 | I | 97.4 | Very high | 93.7 | Very high | 114 Ų | 114 | 45.6 Ų | 45.6 | 59% | 0.585 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -67 | -43.7 | -177.3 | -65.3 | 165.7 | 0 | 0 | 0 | 111.2 | E13 D20 R21 | E13-I17 WeakPolarHBondContact O-CB 3.42Å; E13-I17 VanDerWaalsContact O-CG1 3.3Å; E13-I17 WeakPolarHBondContact O-CG1 3.45Å; E13-I17 PolarHBondContact O-N 3.33Å; I17-D20 PolarHBondContact O-N 2.93Å; I17-R21 VanDerWaalsContact O-CB 3.26Å; I17-R21 WeakPolarHBondContact O-CB 3.34Å; I17-R21 PolarHBondContact O-N 2.93Å |
| 18 | L | 97.6 | Very high | 94.7 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 10% | 0.099 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.7 | -32.9 | -178.3 | -70.9 | 175.7 | 0 | 0 | 0 | 112.6 | K14 G22 F101 H104 V105 L108 L134 | K14-L18 WeakPolarHBondContact O-CB 3.3Å; K14-L18 VanDerWaalsContact O-CG 3.23Å; K14-L18 WeakPolarHBondContact O-CG 3.46Å; K14-L18 PolarHBondContact O-N 3.41Å; L18-G22 WeakPolarHBondContact O-CA 3.25Å; L18-G22 PolarHBondContact O-N 2.95Å; L18-F101 HydrophobicContact CB-CE2 4.33Å; L18-F101 HydrophobicContact CD2-CD2 4.22Å; L18-F101 HydrophobicContact CD2-CE2 4.4Å; L18-F101 VanDerWaalsContact O-CE2 3.27Å; L18-F101 WeakPolarHBondContact O-CE2 3.19Å; L18-H104 HydrophobicContact CD1-CB 4.26Å; L18-H104 HydrophobicContact CD2-CB 3.78Å; L18-V105 HydrophobicContact CD1-CG2 4.43Å; L18-L108 HydrophobicContact CD1-CB 4.36Å; L18-L108 HydrophobicContact CD1-CD2 3.75Å; L18-L134 HydrophobicContact CB-CD1 3.82Å; L18-L134 HydrophobicContact CB-CD2 4.31Å; L18-L134 HydrophobicContact CD1-CD2 4.39Å |
| 19 | N | 97.6 | Very high | 95.5 | Very high | 20 Ų | 20 | 37.6 Ų | 37.6 | 11% | 0.107 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.7 | -47 | 173.8 | -86.4 | -62.5 | 0 | 0 | 0 | 111.6 | L15 G22 Q23 S130 D133 L134 | L15-N19 WeakPolarHBondContact O-CB 3.45Å; L15-N19 PolarHBondContact O-N 3.42Å; L15-N19 PolarHBondContact O-ND2 3.18Å; N19-G22 PolarHBondContact O-N 3.15Å; N19-Q23 WeakPolarHBondContact O-CG 3.26Å; N19-Q23 PolarHBondContact O-N 3.48Å; N19-S130 PolarHBondContact ND2-O 3.44Å; N19-D133 VanDerWaalsContact OD1-C 3.26Å; N19-D133 WeakPolarHBondContact OD1-CB 3.34Å; N19-L134 WeakPolarHBondContact OD1-CA 3.39Å; N19-L134 PolarHBondContact OD1-N 2.82Å |
| 20 | D | 96.6 | Very high | 96 | Very high | 98 Ų | 98 | 35.6 Ų | 35.6 | 52% | 0.524 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61 | -51.5 | 176.1 | -175.1 | 73.2 | 0 | 0 | 0 | 111.5 | T16 I17 G22 Q23 G24 H580 | T16-D20 PolarHBondContact O-N 3.33Å; I17-D20 PolarHBondContact O-N 2.93Å; D20-G22 VanDerWaalsContact C-N 3.25Å; D20-G22 PolarHBondContact O-N 3.34Å; D20-Q23 PolarHBondContact O-N 3.49Å; D20-Q23 VanDerWaalsContact O-N 3.12Å; D20-G24 PolarHBondContact O-N 3.48Å; D20-G24 VanDerWaalsContact O-N 3.1Å; D20-H580 PolarHBondContact O-NE2 3.22Å; D20-H580 IonicContact OD1-NE2 3.6Å; D20-H580 IonicContact OD2-NE2 2.74Å |
| 21 | R | 96.6 | Very high | 96 | Very high | 83 Ų | 83 | 31.7 Ų | 31.7 | 31% | 0.313 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -54.3 | -42.8 | 174.5 | -177.5 | 56.9 | 172.8 | -168.5 | 4.3 | 111.8 | I17 G24 V25 D97 F101 M582 | I17-R21 VanDerWaalsContact O-CB 3.26Å; I17-R21 WeakPolarHBondContact O-CB 3.34Å; I17-R21 PolarHBondContact O-N 2.93Å; R21-G24 PolarHBondContact O-N 3.36Å; R21-V25 HydrophobicContact CG-CG2 4.49Å; R21-V25 VanDerWaalsContact O-CG2 3.31Å; R21-V25 WeakPolarHBondContact O-CG2 3.46Å; R21-V25 PolarHBondContact O-N 2.86Å; R21-D97 IonicContact CZ-OD1 3.69Å; R21-D97 IonicContact NH2-OD1 2.93Å; R21-D97 PolarHBondContact NH2-OD1 3.43Å; R21-D97 IonicContact NH2-OD2 2.96Å; R21-F101 HydrophobicContact CG-CD2 4.33Å; R21-M582 WeakPolarHBondContact CD-SD 3.39Å; R21-M582 PolarHBondContact NH1-SD 3.37Å |
| 22 | G | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L18 N19 D20 V25 L26 F101 T137 | L18-G22 WeakPolarHBondContact O-CA 3.25Å; L18-G22 PolarHBondContact O-N 2.95Å; N19-G22 PolarHBondContact O-N 3.15Å; D20-G22 VanDerWaalsContact C-N 3.25Å; D20-G22 PolarHBondContact O-N 3.34Å; G22-V25 PolarHBondContact O-N 3.3Å; G22-L26 VanDerWaalsContact O-CB 3.25Å; G22-L26 WeakPolarHBondContact O-CB 3.05Å; G22-L26 PolarHBondContact O-N 3.18Å; G22-F101 VanDerWaalsContact CA-CZ 3.49Å; G22-T137 VanDerWaalsContact C-CG2 3.45Å |
| 23 | Q | 95.6 | Very high | 95.9 | Very high | 68 Ų | 68 | 32.9 Ų | 32.9 | 32% | 0.318 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 174.2 | -67.5 | -57.4 | -37.8 | 0 | 0 | 111.3 | N19 D20 V25 L26 I27 T137 | N19-Q23 WeakPolarHBondContact O-CG 3.26Å; N19-Q23 PolarHBondContact O-N 3.48Å; D20-Q23 PolarHBondContact O-N 3.49Å; D20-Q23 VanDerWaalsContact O-N 3.12Å; Q23-V25 PolarHBondContact O-N 3.03Å; Q23-L26 PolarHBondContact O-N 3.38Å; Q23-I27 WeakPolarHBondContact O-CG1 3.36Å; Q23-I27 PolarHBondContact O-N 3.44Å; Q23-T137 PolarHBondContact NE2-OG1 2.74Å; Q23-T137 VanDerWaalsContact NE2-OG1 3.09Å |
| 24 | G | 95.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.3 | -46.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D20 R21 L26 I27 R28 H580 | D20-G24 PolarHBondContact O-N 3.48Å; D20-G24 VanDerWaalsContact O-N 3.1Å; R21-G24 PolarHBondContact O-N 3.36Å; G24-L26 VanDerWaalsContact C-N 3.35Å; G24-L26 PolarHBondContact O-N 3.05Å; G24-I27 PolarHBondContact O-N 3.03Å; G24-R28 WeakPolarHBondContact O-CG 3.39Å; G24-R28 PolarHBondContact O-N 2.95Å; G24-H580 VanDerWaalsContact CA-CE1 3.49Å; G24-H580 WeakPolarHBondContact CA-CE1 3.27Å; G24-H580 WeakPolarHBondContact CA-ND1 3.49Å |
| 25 | V | 96.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | R21 G22 Q23 I27 R28 M29 D97 V98 F101 V141 M582 | R21-V25 HydrophobicContact CG-CG2 4.49Å; R21-V25 VanDerWaalsContact O-CG2 3.31Å; R21-V25 WeakPolarHBondContact O-CG2 3.46Å; R21-V25 PolarHBondContact O-N 2.86Å; G22-V25 PolarHBondContact O-N 3.3Å; Q23-V25 PolarHBondContact O-N 3.03Å; V25-I27 PolarHBondContact O-N 3.41Å; V25-R28 PolarHBondContact O-N 3.39Å; V25-M29 HydrophobicContact CG1-CG 4.47Å; V25-M29 WeakPolarHBondContact O-CG 3.24Å; V25-M29 PolarHBondContact O-N 3.44Å; V25-D97 HydrophobicContact CG2-CB 4.23Å; V25-V98 HydrophobicContact CG1-CB 4.32Å; V25-V98 HydrophobicContact CG1-CG2 3.44Å; V25-V98 VanDerWaalsContact CG1-CG2 3.44Å; V25-F101 HydrophobicContact CG2-CB 4.47Å; V25-V141 HydrophobicContact CG1-CG1 3.92Å; V25-V141 HydrophobicContact CG1-CG2 4.22Å; V25-M582 HydrophobicContact CG2-CE 3.88Å |
| 26 | L | 95.8 | Very high | 95 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 179.4 | -174.5 | 60.5 | 0 | 0 | 0 | 111.9 | G22 Q23 G24 M29 Y30 V141 L144 I294 | G22-L26 VanDerWaalsContact O-CB 3.25Å; G22-L26 WeakPolarHBondContact O-CB 3.05Å; G22-L26 PolarHBondContact O-N 3.18Å; Q23-L26 PolarHBondContact O-N 3.38Å; G24-L26 VanDerWaalsContact C-N 3.35Å; G24-L26 PolarHBondContact O-N 3.05Å; L26-M29 PolarHBondContact O-N 2.99Å; L26-Y30 WeakPolarHBondContact O-CB 3.5Å; L26-Y30 PolarHBondContact O-N 3.2Å; L26-V141 HydrophobicContact CB-CG2 3.81Å; L26-V141 HydrophobicContact CD1-CB 4.49Å; L26-V141 HydrophobicContact CD1-CG2 3.87Å; L26-V141 HydrophobicContact CG-CG2 4.39Å; L26-L144 HydrophobicContact CD1-CB 4.36Å; L26-L144 HydrophobicContact CD1-CD2 3.68Å; L26-I294 HydrophobicContact CD1-CB 4.37Å; L26-I294 HydrophobicContact CD1-CG2 4.24Å; L26-I294 HydrophobicContact CD2-CB 3.95Å; L26-I294 HydrophobicContact CD2-CD1 4.11Å; L26-I294 HydrophobicContact CD2-CG1 4.23Å; L26-I294 HydrophobicContact CG-CB 3.94Å; L26-I294 HydrophobicContact CG-CD1 4.32Å; L26-I294 HydrophobicContact CG-CG1 4.04Å; L26-I294 HydrophobicContact CG-CG2 4.25Å |
| 27 | I | 95.6 | Very high | 94.5 | Very high | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.056 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.9 | -44 | 175.9 | -71.2 | 166.4 | 0 | 0 | 0 | 111.2 | Q23 G24 V25 M29 Y30 N31 I294 H580 C583 E586 | Q23-I27 WeakPolarHBondContact O-CG1 3.36Å; Q23-I27 PolarHBondContact O-N 3.44Å; G24-I27 PolarHBondContact O-N 3.03Å; V25-I27 PolarHBondContact O-N 3.41Å; I27-M29 PolarHBondContact O-N 2.87Å; I27-Y30 WeakPolarHBondContact O-CB 3.43Å; I27-Y30 PolarHBondContact O-N 3.27Å; I27-N31 PolarHBondContact O-N 2.88Å; I27-I294 HydrophobicContact CG1-CD1 4.4Å; I27-H580 HydrophobicContact CD1-CB 3.59Å; I27-C583 HydrophobicContact CG2-CB 3.81Å; I27-E586 WeakPolarHBondContact CG2-OE1 3.23Å |
| 28 | R | 94.8 | Very high | 94 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 11% | 0.113 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 176.1 | -69.3 | -175.5 | 74.3 | 74.3 | 7.4 | 111.6 | G24 V25 Y30 N31 I32 S94 M582 C583 E585 | G24-R28 WeakPolarHBondContact O-CG 3.39Å; G24-R28 PolarHBondContact O-N 2.95Å; V25-R28 PolarHBondContact O-N 3.39Å; R28-Y30 VanDerWaalsContact C-N 3.32Å; R28-Y30 PolarHBondContact O-N 2.98Å; R28-N31 PolarHBondContact O-N 3.21Å; R28-I32 WeakPolarHBondContact O-CG1 3.32Å; R28-I32 PolarHBondContact O-N 2.91Å; R28-S94 PolarHBondContact NE-OG 3.14Å; R28-S94 PolarHBondContact NH2-OG 3.04Å; R28-M582 WeakPolarHBondContact CD-O 3.43Å; R28-M582 PolarHBondContact NH1-O 2.94Å; R28-C583 HydrophobicContact CG-CB 4Å; R28-E585 IonicContact CZ-OE1 2.64Å; R28-E585 IonicContact NH1-OE1 3.85Å; R28-E585 PolarHBondContact NH1-OE1 3.1Å; R28-E585 IonicContact NH1-OE2 3.52Å; R28-E585 PolarHBondContact NH1-OE2 3.16Å; R28-E585 IonicContact NH2-OE1 3.61Å; R28-E585 PolarHBondContact NH2-OE1 2.84Å |
| 29 | M | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 176.4 | -73.7 | -56.1 | 104.5 | 0 | 0 | 112.4 | V25 L26 I27 I32 K33 S94 F95 V98 L144 L145 I148 | V25-M29 HydrophobicContact CG1-CG 4.47Å; V25-M29 WeakPolarHBondContact O-CG 3.24Å; V25-M29 PolarHBondContact O-N 3.44Å; L26-M29 PolarHBondContact O-N 2.99Å; I27-M29 PolarHBondContact O-N 2.87Å; M29-I32 HydrophobicContact CE-CD1 3.64Å; M29-I32 PolarHBondContact O-N 3.44Å; M29-K33 WeakPolarHBondContact O-CB 3.37Å; M29-K33 PolarHBondContact O-N 3.41Å; M29-S94 WeakPolarHBondContact CE-O 3.4Å; M29-F95 HydrophobicContact CE-CD1 4.18Å; M29-F95 HydrophobicContact CE-CE1 4.4Å; M29-F95 HydrophobicContact SD-CD1 3.89Å; M29-F95 HydrophobicContact SD-CE1 3.86Å; M29-V98 HydrophobicContact CE-CG2 3.84Å; M29-V98 HydrophobicContact CG-CG2 3.61Å; M29-V98 HydrophobicContact SD-CG2 3.62Å; M29-L144 HydrophobicContact CB-CD2 3.82Å; M29-L144 HydrophobicContact CB-CG 4.3Å; M29-L145 HydrophobicContact SD-CD1 4.41Å; M29-I148 HydrophobicContact SD-CD1 4.17Å |
| 30 | Y | 95.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 174.6 | 166.1 | -88.1 | 0 | 0 | 0 | 111.3 | L26 I27 R28 I32 K33 K34 I294 R295 E296 | L26-Y30 WeakPolarHBondContact O-CB 3.5Å; L26-Y30 PolarHBondContact O-N 3.2Å; I27-Y30 WeakPolarHBondContact O-CB 3.43Å; I27-Y30 PolarHBondContact O-N 3.27Å; R28-Y30 VanDerWaalsContact C-N 3.32Å; R28-Y30 PolarHBondContact O-N 2.98Å; Y30-I32 PolarHBondContact O-N 3.5Å; Y30-K33 WeakPolarHBondContact O-CB 3.49Å; Y30-K33 PolarHBondContact O-N 3.07Å; Y30-K34 HydrophobicContact CD1-CG 4.46Å; Y30-K34 HydrophobicContact CD2-CG 4.36Å; Y30-K34 HydrophobicContact CE1-CG 3.92Å; Y30-K34 HydrophobicContact CE2-CD 4.22Å; Y30-K34 VanDerWaalsContact CE2-CE 3.41Å; Y30-K34 HydrophobicContact CE2-CG 3.83Å; Y30-K34 WeakPolarHBondContact O-CG 3.32Å; Y30-K34 PolarHBondContact O-N 2.9Å; Y30-K34 WeakPolarHBondContact OH-CE 3.38Å; Y30-I294 HydrophobicContact CD2-CG2 3.95Å; Y30-I294 HydrophobicContact CG-CG2 4.38Å; Y30-R295 HydrophobicContact CD2-CB 4.49Å; Y30-R295 VanDerWaalsContact CE1-CD 3.45Å; Y30-R295 HydrophobicContact CE2-CB 4.01Å; Y30-E296 WeakPolarHBondContact CE2-OE2 3.34Å; Y30-E296 VanDerWaalsContact CZ-OE2 3.26Å; Y30-E296 PolarHBondContact OH-OE1 3.37Å; Y30-E296 PolarHBondContact OH-OE2 3.22Å |
| 31 | N | 93.1 | Very high | 92.1 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 19% | 0.193 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.8 | -44 | 179.3 | -75.2 | -28 | 0 | 0 | 0 | 111.8 | I27 R28 K33 K34 T35 R295 C583 E586 | I27-N31 PolarHBondContact O-N 2.88Å; R28-N31 PolarHBondContact O-N 3.21Å; N31-K33 VanDerWaalsContact C-N 3.34Å; N31-K33 PolarHBondContact O-N 3.04Å; N31-K34 PolarHBondContact O-N 3.36Å; N31-T35 PolarHBondContact O-N 3.05Å; N31-T35 PolarHBondContact O-OG1 3.47Å; N31-T35 VanDerWaalsContact O-OG1 3.04Å; N31-R295 PolarHBondContact OD1-NH1 3.16Å; N31-C583 PolarHBondContact ND2-SG 3.48Å; N31-E586 PolarHBondContact ND2-OE2 2.99Å; N31-E586 PolarHBondContact OD1-OE2 3.4Å |
| 32 | I | 93.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -46.8 | 174.6 | -66 | 172.8 | 0 | 0 | 0 | 110.7 | R28 M29 Y30 K34 T35 C36 Y91 F95 I148 L154 | R28-I32 WeakPolarHBondContact O-CG1 3.32Å; R28-I32 PolarHBondContact O-N 2.91Å; M29-I32 HydrophobicContact CE-CD1 3.64Å; M29-I32 PolarHBondContact O-N 3.44Å; Y30-I32 PolarHBondContact O-N 3.5Å; I32-K34 VanDerWaalsContact C-N 3.33Å; I32-K34 PolarHBondContact O-N 2.82Å; I32-T35 PolarHBondContact O-N 3.25Å; I32-C36 WeakPolarHBondContact O-CB 3.47Å; I32-C36 PolarHBondContact O-N 3.08Å; I32-C36 PolarHBondContact O-SG 2.64Å; I32-Y91 HydrophobicContact CD1-CD1 4.01Å; I32-Y91 HydrophobicContact CD1-CG 4.13Å; I32-Y91 HydrophobicContact CG1-CD1 3.79Å; I32-Y91 HydrophobicContact CG1-CE1 3.98Å; I32-Y91 HydrophobicContact CG1-CG 4.13Å; I32-Y91 HydrophobicContact CG2-CD2 4.29Å; I32-Y91 HydrophobicContact CG2-CE2 4.47Å; I32-F95 HydrophobicContact CG2-CZ 4.09Å; I32-I148 HydrophobicContact CB-CD1 4.43Å; I32-I148 HydrophobicContact CG2-CD1 4.08Å; I32-L154 HydrophobicContact CG2-CD1 4.35Å |
| 33 | K | 94.2 | Very high | 91.1 | Very high | 27 Ų | 27 | 39.6 Ų | 39.6 | 12% | 0.117 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.5 | -48 | 176.8 | 178.8 | 178 | 170.9 | -82.4 | 0 | 111 | M29 Y30 N31 C36 S37 L144 R147 I148 D297 | M29-K33 WeakPolarHBondContact O-CB 3.37Å; M29-K33 PolarHBondContact O-N 3.41Å; Y30-K33 WeakPolarHBondContact O-CB 3.49Å; Y30-K33 PolarHBondContact O-N 3.07Å; N31-K33 VanDerWaalsContact C-N 3.34Å; N31-K33 PolarHBondContact O-N 3.04Å; K33-C36 PolarHBondContact O-N 3.21Å; K33-S37 VanDerWaalsContact O-CB 3.31Å; K33-S37 WeakPolarHBondContact O-CB 3.33Å; K33-S37 PolarHBondContact O-N 3.25Å; K33-S37 PolarHBondContact O-OG 2.76Å; K33-L144 HydrophobicContact CD-CD1 3.49Å; K33-L144 VanDerWaalsContact CD-CD1 3.49Å; K33-L144 HydrophobicContact CD-CG 4.37Å; K33-R147 HydrophobicContact CD-CB 3.97Å; K33-I148 HydrophobicContact CB-CD1 4.4Å; K33-I148 HydrophobicContact CB-CG1 3.81Å; K33-I148 HydrophobicContact CG-CG1 4.32Å; K33-D297 WeakPolarHBondContact CE-OD1 3.19Å; K33-D297 IonicContact NZ-OD1 3.8Å; K33-D297 PolarHBondContact NZ-OD1 3.27Å; K33-D297 IonicContact NZ-OD2 2.65Å; K33-D297 PolarHBondContact NZ-OD2 3.08Å |
| 34 | K | 91.8 | Very high | 90.5 | Very high | 70 Ų | 70 | 40 Ų | 40 | 30% | 0.304 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.2 | -47.5 | -178.2 | -72 | -74.6 | 171.1 | 169.8 | 0 | 111.9 | Y30 N31 I32 C36 S37 D38 E296 | Y30-K34 HydrophobicContact CD1-CG 4.46Å; Y30-K34 HydrophobicContact CD2-CG 4.36Å; Y30-K34 HydrophobicContact CE1-CG 3.92Å; Y30-K34 HydrophobicContact CE2-CD 4.22Å; Y30-K34 VanDerWaalsContact CE2-CE 3.41Å; Y30-K34 HydrophobicContact CE2-CG 3.83Å; Y30-K34 WeakPolarHBondContact O-CG 3.32Å; Y30-K34 PolarHBondContact O-N 2.9Å; Y30-K34 WeakPolarHBondContact OH-CE 3.38Å; N31-K34 PolarHBondContact O-N 3.36Å; I32-K34 VanDerWaalsContact C-N 3.33Å; I32-K34 PolarHBondContact O-N 2.82Å; K34-C36 VanDerWaalsContact C-N 3.35Å; K34-C36 PolarHBondContact O-N 3.32Å; K34-S37 PolarHBondContact O-N 2.55Å; K34-D38 PolarHBondContact O-N 2.86Å; K34-D38 VanDerWaalsContact O-N 3.15Å; K34-E296 WeakPolarHBondContact CE-OE1 3.31Å; K34-E296 VanDerWaalsContact NZ-CG 3.33Å; K34-E296 IonicContact NZ-OE1 2.81Å; K34-E296 PolarHBondContact NZ-OE1 3.25Å |
| 35 | T | 89.9 | Confident | 90 | Very high | 35 Ų | 35 | 40.6 Ų | 40.6 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 177.6 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | N31 I32 S37 S41 K42 Y91 | N31-T35 PolarHBondContact O-N 3.05Å; N31-T35 PolarHBondContact O-OG1 3.47Å; N31-T35 VanDerWaalsContact O-OG1 3.04Å; I32-T35 PolarHBondContact O-N 3.25Å; T35-S37 VanDerWaalsContact C-N 3.31Å; T35-S37 PolarHBondContact O-N 3.49Å; T35-S41 WeakPolarHBondContact CG2-O 3.49Å; T35-S41 CarbonylContact O-C 3.52Å; T35-S41 PolarHBondContact O-OG 2.97Å; T35-K42 VanDerWaalsContact O-CA 3.31Å; T35-K42 WeakPolarHBondContact O-CA 3.29Å; T35-K42 PolarHBondContact O-N 3.06Å; T35-Y91 VanDerWaalsContact CG2-OH 3.26Å; T35-Y91 WeakPolarHBondContact CG2-OH 3.48Å |
| 36 | C | 88.9 | Confident | 89.5 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -74 | -22 | 178 | -66.6 | 0 | 0 | 0 | 0 | 113.8 | I32 K33 K34 K42 | I32-C36 WeakPolarHBondContact O-CB 3.47Å; I32-C36 PolarHBondContact O-N 3.08Å; I32-C36 PolarHBondContact O-SG 2.64Å; K33-C36 PolarHBondContact O-N 3.21Å; K34-C36 VanDerWaalsContact C-N 3.35Å; K34-C36 PolarHBondContact O-N 3.32Å; C36-K42 WeakPolarHBondContact O-CD 3.35Å; C36-K42 WeakPolarHBondContact O-CE 3.5Å |
| 37 | S | 87.8 | Confident | 89 | Confident | 78 Ų | 78 | 46 Ų | 46 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -85.7 | -26.6 | -179.3 | -55.9 | 0 | 0 | 0 | 0 | 113 | K33 K34 T35 P39 | K33-S37 VanDerWaalsContact O-CB 3.31Å; K33-S37 WeakPolarHBondContact O-CB 3.33Å; K33-S37 PolarHBondContact O-N 3.25Å; K33-S37 PolarHBondContact O-OG 2.76Å; K34-S37 PolarHBondContact O-N 2.55Å; T35-S37 VanDerWaalsContact C-N 3.31Å; T35-S37 PolarHBondContact O-N 3.49Å; S37-P39 WeakPolarHBondContact O-CD 3.47Å |
| 38 | D | 86.9 | Confident | 88.6 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 34% | 0.342 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -89.9 | 117.8 | 178.6 | 165.3 | 35.4 | 0 | 0 | 0 | 111.2 | K34 K40 S41 K42 | K34-D38 PolarHBondContact O-N 2.86Å; K34-D38 VanDerWaalsContact O-N 3.15Å; D38-K40 PolarHBondContact O-N 3.33Å; D38-K40 PolarHBondContact OD1-N 3.42Å; D38-K40 VanDerWaalsContact OD1-N 3.09Å; D38-S41 WeakPolarHBondContact CB-OG 3.4Å; D38-S41 PolarHBondContact O-N 3.17Å; D38-S41 VanDerWaalsContact O-N 3.15Å; D38-S41 WeakPolarHBondContact OD2-CB 3.48Å; D38-S41 PolarHBondContact OD2-N 3.35Å; D38-S41 PolarHBondContact OD2-OG 2.97Å; D38-K42 WeakPolarHBondContact O-CB 3.29Å; D38-K42 PolarHBondContact O-N 3.01Å |
| 39 | P | 82.8 | Confident | 88.2 | Confident | 93 Ų | 93 | 56.2 Ų | 56.2 | 60% | 0.604 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.4 | -179.4 | -24.1 | 33.5 | 0 | 0 | 0 | 114.8 | S37 L47 | S37-P39 WeakPolarHBondContact O-CD 3.47Å; P39-L47 VanDerWaalsContact O-CD1 3.31Å; P39-L47 WeakPolarHBondContact O-CD1 3.3Å |
| 40 | K | 84.9 | Confident | 87.8 | Confident | 198 Ų | 198 | 59.1 Ų | 59.1 | 86% | 0.861 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -30.7 | -179.6 | -67.5 | -179 | 178 | 180 | 0 | 113.3 | D38 | D38-K40 PolarHBondContact O-N 3.33Å; D38-K40 PolarHBondContact OD1-N 3.42Å; D38-K40 VanDerWaalsContact OD1-N 3.09Å |
| 41 | S | 83.5 | Confident | 87.4 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -12.3 | -177.5 | 59.4 | 0 | 0 | 0 | 0 | 113 | T35 D38 | T35-S41 WeakPolarHBondContact CG2-O 3.49Å; T35-S41 CarbonylContact O-C 3.52Å; T35-S41 PolarHBondContact O-OG 2.97Å; D38-S41 WeakPolarHBondContact CB-OG 3.4Å; D38-S41 PolarHBondContact O-N 3.17Å; D38-S41 VanDerWaalsContact O-N 3.15Å; D38-S41 WeakPolarHBondContact OD2-CB 3.48Å; D38-S41 PolarHBondContact OD2-N 3.35Å; D38-S41 PolarHBondContact OD2-OG 2.97Å |
| 42 | K | 86.1 | Confident | 87.2 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -55.2 | 140 | 175.8 | -165.2 | 170.5 | -167.6 | 164.3 | 0 | 111.3 | T35 C36 D38 L46 L47 D150 | T35-K42 VanDerWaalsContact O-CA 3.31Å; T35-K42 WeakPolarHBondContact O-CA 3.29Å; T35-K42 PolarHBondContact O-N 3.06Å; C36-K42 WeakPolarHBondContact O-CD 3.35Å; C36-K42 WeakPolarHBondContact O-CE 3.5Å; D38-K42 WeakPolarHBondContact O-CB 3.29Å; D38-K42 PolarHBondContact O-N 3.01Å; K42-L46 HydrophobicContact CD-CB 4.34Å; K42-L46 HydrophobicContact CD-CD1 4.46Å; K42-L46 HydrophobicContact CG-CB 4.26Å; K42-L46 HydrophobicContact CG-CD1 4.08Å; K42-L47 HydrophobicContact CB-CD1 4.38Å; K42-L47 HydrophobicContact CD-CD2 4.03Å; K42-D150 WeakPolarHBondContact CE-OD2 3.45Å; K42-D150 IonicContact NZ-OD1 3.89Å; K42-D150 IonicContact NZ-OD2 3.46Å; K42-D150 PolarHBondContact NZ-OD2 3.39Å |
| 43 | P | 85.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -51 | 129.1 | 178.7 | -20.3 | 20.6 | 0 | 0 | 0 | 112.2 | F45 L46 F87 Y91 | P43-F45 VanDerWaalsContact C-N 3.29Å; P43-F45 HydrophobicContact CB-CD1 4.41Å; P43-F45 HydrophobicContact CB-CD2 4.06Å; P43-F45 HydrophobicContact CB-CE1 3.83Å; P43-F45 HydrophobicContact CB-CE2 3.41Å; P43-F45 VanDerWaalsContact CB-CE2 3.41Å; P43-F45 HydrophobicContact CB-CZ 3.3Å; P43-F45 HydrophobicContact CG-CE2 4.23Å; P43-F45 HydrophobicContact CG-CZ 4.17Å; P43-F45 PolarHBondContact O-N 3.44Å; P43-L46 HydrophobicContact CB-CD1 4.22Å; P43-L46 HydrophobicContact CB-CG 4.23Å; P43-L46 HydrophobicContact CG-CD1 3.86Å; P43-L46 HydrophobicContact CG-CG 4.41Å; P43-L46 WeakPolarHBondContact O-CB 3.49Å; P43-L46 PolarHBondContact O-N 3.37Å; P43-F87 HydrophobicContact CB-CD1 4.13Å; P43-F87 HydrophobicContact CB-CE1 3.72Å; P43-F87 HydrophobicContact CB-CZ 4.03Å; P43-F87 HydrophobicContact CG-CD1 4.25Å; P43-F87 HydrophobicContact CG-CE1 3.53Å; P43-F87 HydrophobicContact CG-CZ 4.04Å; P43-Y91 HydrophobicContact CG-CE2 4.37Å | ||
| 44 | P | 83.8 | Confident | 86.7 | Confident | 77 Ų | 77 | 62.9 Ų | 62.9 | 50% | 0.5 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -55 | -41.5 | -170.8 | -28.1 | 33.9 | 0 | 0 | 0 | 113.8 | L46 L47 E48 | P44-L46 PolarHBondContact O-N 3.05Å; P44-L46 VanDerWaalsContact O-N 3.11Å; P44-L47 WeakPolarHBondContact O-CB 3.42Å; P44-L47 PolarHBondContact O-N 3.28Å; P44-E48 PolarHBondContact O-N 2.89Å |
| 45 | F | 84.8 | Confident | 86.6 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 5% | 0.053 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -63.4 | -15.8 | 178.7 | 50.1 | -107.3 | 0 | 0 | 0 | 114.3 | P43 M51 I84 F87 L88 M157 | P43-F45 VanDerWaalsContact C-N 3.29Å; P43-F45 HydrophobicContact CB-CD1 4.41Å; P43-F45 HydrophobicContact CB-CD2 4.06Å; P43-F45 HydrophobicContact CB-CE1 3.83Å; P43-F45 HydrophobicContact CB-CE2 3.41Å; P43-F45 VanDerWaalsContact CB-CE2 3.41Å; P43-F45 HydrophobicContact CB-CZ 3.3Å; P43-F45 HydrophobicContact CG-CE2 4.23Å; P43-F45 HydrophobicContact CG-CZ 4.17Å; P43-F45 PolarHBondContact O-N 3.44Å; F45-M51 HydrophobicContact CB-CE 3.94Å; F45-M51 HydrophobicContact CB-CG 4.31Å; F45-M51 WeakPolarHBondContact O-CB 3.45Å; F45-M51 WeakPolarHBondContact O-CG 3.44Å; F45-I84 HydrophobicContact CD1-CG1 4.47Å; F45-F87 HydrophobicContact CE1-CB 3.94Å; F45-F87 HydrophobicContact CE1-CD1 4.09Å; F45-F87 AromaticContact CE1-CG 3.97Å; F45-F87 HydrophobicContact CE1-CG 3.97Å; F45-F87 HydrophobicContact CZ-CB 4.37Å; F45-F87 AromaticContact CZ-CD1 3.89Å; F45-F87 HydrophobicContact CZ-CD1 3.89Å; F45-F87 HydrophobicContact CZ-CG 4.24Å; F45-L88 HydrophobicContact CE2-CD1 4.27Å; F45-L88 HydrophobicContact CE2-CD2 4.21Å; F45-L88 HydrophobicContact CE2-CG 4.34Å; F45-L88 HydrophobicContact CZ-CD1 4.14Å; F45-L88 HydrophobicContact CZ-CD2 3.79Å; F45-L88 HydrophobicContact CZ-CG 3.78Å; F45-M157 HydrophobicContact CD2-CE 3.26Å; F45-M157 HydrophobicContact CD2-SD 4.18Å; F45-M157 HydrophobicContact CE2-CE 3.14Å; F45-M157 HydrophobicContact CG-CE 4.39Å; F45-M157 HydrophobicContact CZ-CE 4.19Å |
| 46 | L | 84.9 | Confident | 86.7 | Confident | 20 Ų | 20 | 65 Ų | 65 | 11% | 0.105 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -81.3 | -18.2 | 171.8 | -64.8 | -179.4 | 0 | 0 | 0 | 112.9 | K42 P43 P44 L55 I153 L154 M157 | K42-L46 HydrophobicContact CD-CB 4.34Å; K42-L46 HydrophobicContact CD-CD1 4.46Å; K42-L46 HydrophobicContact CG-CB 4.26Å; K42-L46 HydrophobicContact CG-CD1 4.08Å; P43-L46 HydrophobicContact CB-CD1 4.22Å; P43-L46 HydrophobicContact CB-CG 4.23Å; P43-L46 HydrophobicContact CG-CD1 3.86Å; P43-L46 HydrophobicContact CG-CG 4.41Å; P43-L46 WeakPolarHBondContact O-CB 3.49Å; P43-L46 PolarHBondContact O-N 3.37Å; P44-L46 PolarHBondContact O-N 3.05Å; P44-L46 VanDerWaalsContact O-N 3.11Å; L46-L55 HydrophobicContact CD2-CD1 4.15Å; L46-L55 HydrophobicContact CD2-CD2 3.79Å; L46-I153 HydrophobicContact CD2-CG2 3.67Å; L46-L154 HydrophobicContact CD1-CD2 3.95Å; L46-M157 HydrophobicContact CD2-CE 3.81Å |
| 47 | L | 85.4 | Confident | 86.8 | Confident | 96 Ų | 96 | 66.5 Ų | 66.5 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -17.4 | -179.4 | -60.6 | 172.7 | 0 | 0 | 0 | 112.2 | P39 K42 P44 | P39-L47 VanDerWaalsContact O-CD1 3.31Å; P39-L47 WeakPolarHBondContact O-CD1 3.3Å; K42-L47 HydrophobicContact CB-CD1 4.38Å; K42-L47 HydrophobicContact CD-CD2 4.03Å; P44-L47 WeakPolarHBondContact O-CB 3.42Å; P44-L47 PolarHBondContact O-N 3.28Å |
| 48 | E | 86.9 | Confident | 87 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 34% | 0.336 | 32% | 0.322 | S | S | . | . | trans | -71.4 | 127.1 | -178.1 | -74.4 | -174.9 | -160.6 | 0 | 0 | 113.4 | P44 S50 M51 E52 | P44-E48 PolarHBondContact O-N 2.89Å; E48-S50 PolarHBondContact O-N 3.33Å; E48-S50 PolarHBondContact OE2-OG 3.13Å; E48-M51 HydrophobicContact CB-CB 4.29Å; E48-M51 HydrophobicContact CB-CG 4.11Å; E48-M51 PolarHBondContact O-N 3.01Å; E48-E52 PolarHBondContact O-N 3.31Å | ||
| 49 | K | 86.3 | Confident | 87.2 | Confident | 184 Ų | 184 | 62.8 Ų | 62.8 | 80% | 0.8 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.7 | 176.9 | -68.4 | -172.1 | 177.5 | -178.6 | 0 | 113.3 | M51 | K49-M51 VanDerWaalsContact C-N 3.26Å; K49-M51 PolarHBondContact O-N 3.25Å |
| 50 | S | 86.9 | Confident | 87.7 | Confident | 61 Ų | 61 | 66.9 Ų | 66.9 | 43% | 0.427 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -31.9 | 174.8 | 46.2 | 0 | 0 | 0 | 0 | 112.5 | E48 P76 | E48-S50 PolarHBondContact O-N 3.33Å; E48-S50 PolarHBondContact OE2-OG 3.13Å; S50-P76 WeakPolarHBondContact O-CG 3.47Å |
| 51 | M | 87.8 | Confident | 88 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -21.6 | -176.4 | -70.4 | -67.2 | -89.6 | 0 | 0 | 112.8 | F45 E48 K49 P53 S54 L55 P76 V77 I84 M157 | F45-M51 HydrophobicContact CB-CE 3.94Å; F45-M51 HydrophobicContact CB-CG 4.31Å; F45-M51 WeakPolarHBondContact O-CB 3.45Å; F45-M51 WeakPolarHBondContact O-CG 3.44Å; E48-M51 HydrophobicContact CB-CB 4.29Å; E48-M51 HydrophobicContact CB-CG 4.11Å; E48-M51 PolarHBondContact O-N 3.01Å; K49-M51 VanDerWaalsContact C-N 3.26Å; K49-M51 PolarHBondContact O-N 3.25Å; M51-P53 VanDerWaalsContact C-CD 3.44Å; M51-S54 WeakPolarHBondContact O-CA 3.5Å; M51-S54 VanDerWaalsContact O-CB 3.26Å; M51-S54 WeakPolarHBondContact O-CB 3.4Å; M51-S54 PolarHBondContact O-N 3.44Å; M51-L55 HydrophobicContact CB-CD1 4.46Å; M51-L55 HydrophobicContact CB-CG 4.42Å; M51-L55 WeakPolarHBondContact O-CG 3.48Å; M51-L55 PolarHBondContact O-N 3.24Å; M51-P76 HydrophobicContact SD-CB 3.34Å; M51-P76 WeakPolarHBondContact SD-CB 3.24Å; M51-V77 HydrophobicContact CE-CG2 3.96Å; M51-I84 HydrophobicContact CE-CD1 3.74Å; M51-M157 HydrophobicContact CE-SD 4Å |
| 52 | E | 88.1 | Confident | 88.4 | Confident | 89 Ų | 89 | 60.4 Ų | 60.4 | 42% | 0.416 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -48.8 | -43.4 | -175.6 | -165.8 | -174.1 | 164.4 | 0 | 0 | 115.1 | E48 S54 L55 K56 | E48-E52 PolarHBondContact O-N 3.31Å; E52-S54 VanDerWaalsContact C-N 3.32Å; E52-S54 PolarHBondContact O-N 2.96Å; E52-L55 PolarHBondContact O-N 3.27Å; E52-K56 HydrophobicContact CG-CD 4.49Å; E52-K56 WeakPolarHBondContact O-CG 2.97Å; E52-K56 PolarHBondContact O-N 3.15Å; E52-K56 WeakPolarHBondContact OE1-CE 3.22Å; E52-K56 IonicContact OE1-NZ 2.92Å; E52-K56 PolarHBondContact OE1-NZ 3.37Å |
| 53 | P | 87.6 | Confident | 88.5 | Confident | 69 Ų | 69 | 59.1 Ų | 59.1 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.9 | -37.2 | 175.9 | -21.1 | 34 | 0 | 0 | 0 | 113 | M51 Y57 | M51-P53 VanDerWaalsContact C-CD 3.44Å; P53-Y57 WeakPolarHBondContact O-CB 3.47Å; P53-Y57 PolarHBondContact O-N 2.73Å; P53-Y57 VanDerWaalsContact O-N 3.1Å |
| 54 | S | 89.5 | Confident | 88.7 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.1 | -46 | 176.9 | -47.3 | 0 | 0 | 0 | 0 | 110.5 | M51 E52 K56 Y57 I58 H73 | M51-S54 WeakPolarHBondContact O-CA 3.5Å; M51-S54 VanDerWaalsContact O-CB 3.26Å; M51-S54 WeakPolarHBondContact O-CB 3.4Å; M51-S54 PolarHBondContact O-N 3.44Å; E52-S54 VanDerWaalsContact C-N 3.32Å; E52-S54 PolarHBondContact O-N 2.96Å; S54-K56 PolarHBondContact O-N 3.45Å; S54-Y57 PolarHBondContact O-N 3.09Å; S54-I58 WeakPolarHBondContact O-CB 3.35Å; S54-I58 VanDerWaalsContact O-CG1 3.27Å; S54-I58 WeakPolarHBondContact O-CG1 3.41Å; S54-I58 PolarHBondContact O-N 2.99Å; S54-H73 WeakPolarHBondContact CA-O 3.41Å; S54-H73 WeakPolarHBondContact CB-O 3.4Å; S54-H73 PolarHBondContact OG-O 3.16Å |
| 55 | L | 90.8 | Very high | 88.8 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 9% | 0.089 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -44.8 | -179.4 | -55.6 | 178.2 | 0 | 0 | 0 | 111.5 | L46 M51 E52 Y57 I58 N59 I153 M157 | L46-L55 HydrophobicContact CD2-CD1 4.15Å; L46-L55 HydrophobicContact CD2-CD2 3.79Å; M51-L55 HydrophobicContact CB-CD1 4.46Å; M51-L55 HydrophobicContact CB-CG 4.42Å; M51-L55 WeakPolarHBondContact O-CG 3.48Å; M51-L55 PolarHBondContact O-N 3.24Å; E52-L55 PolarHBondContact O-N 3.27Å; L55-Y57 PolarHBondContact O-N 3.17Å; L55-I58 PolarHBondContact O-N 3.31Å; L55-N59 WeakPolarHBondContact O-CB 3.41Å; L55-N59 PolarHBondContact O-N 3.28Å; L55-I153 HydrophobicContact CB-CD1 4.49Å; L55-I153 HydrophobicContact CB-CG2 4.45Å; L55-I153 HydrophobicContact CD2-CG2 3.56Å; L55-I153 HydrophobicContact CG-CG2 4.5Å; L55-M157 HydrophobicContact CD2-CE 4.21Å; L55-M157 HydrophobicContact CD2-SD 3.68Å |
| 56 | K | 91 | Very high | 88.7 | Confident | 133 Ų | 133 | 65.5 Ų | 65.5 | 58% | 0.578 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.8 | -41.5 | 175.9 | -74.3 | 179.7 | -175.3 | 168.1 | 0 | 112.1 | E52 S54 K60 | E52-K56 HydrophobicContact CG-CD 4.49Å; E52-K56 WeakPolarHBondContact O-CG 2.97Å; E52-K56 PolarHBondContact O-N 3.15Å; E52-K56 WeakPolarHBondContact OE1-CE 3.22Å; E52-K56 IonicContact OE1-NZ 2.92Å; E52-K56 PolarHBondContact OE1-NZ 3.37Å; S54-K56 PolarHBondContact O-N 3.45Å; K56-K60 VanDerWaalsContact O-CB 3.28Å; K56-K60 WeakPolarHBondContact O-CB 3.23Å; K56-K60 PolarHBondContact O-N 2.9Å; K56-K60 VanDerWaalsContact O-N 3.09Å |
| 57 | Y | 91.4 | Very high | 88.5 | Confident | 37 Ų | 37 | 65.1 Ų | 65.1 | 15% | 0.145 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.8 | -50.8 | 177.5 | -178.5 | -104.8 | 0 | 0 | 0 | 111.6 | P53 S54 L55 N59 K60 K61 I65 S70 H73 L74 | P53-Y57 WeakPolarHBondContact O-CB 3.47Å; P53-Y57 PolarHBondContact O-N 2.73Å; P53-Y57 VanDerWaalsContact O-N 3.1Å; S54-Y57 PolarHBondContact O-N 3.09Å; L55-Y57 PolarHBondContact O-N 3.17Å; Y57-N59 PolarHBondContact O-N 2.9Å; Y57-K60 PolarHBondContact O-N 3.47Å; Y57-K61 HydrophobicContact CD2-CG 4.14Å; Y57-K61 HydrophobicContact CE1-CG 4.4Å; Y57-K61 HydrophobicContact CE2-CG 3.68Å; Y57-K61 WeakPolarHBondContact O-CB 3.25Å; Y57-K61 PolarHBondContact O-N 3.24Å; Y57-I65 HydrophobicContact CE1-CG2 4.04Å; Y57-S70 PolarHBondContact OH-OG 2.92Å; Y57-H73 HydrophobicContact CD1-CB 4.27Å; Y57-H73 HydrophobicContact CD2-CB 4.3Å; Y57-H73 HydrophobicContact CG-CB 3.97Å; Y57-L74 HydrophobicContact CD1-CD2 4.11Å; Y57-L74 HydrophobicContact CD1-CG 4.22Å; Y57-L74 HydrophobicContact CE1-CD1 4.36Å; Y57-L74 HydrophobicContact CE1-CG 4.45Å |
| 58 | I | 91.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.2 | -50.7 | 178.4 | -71.2 | 167 | 0 | 0 | 0 | 110.2 | S54 L55 K60 K61 F62 I65 L74 V77 M157 | S54-I58 WeakPolarHBondContact O-CB 3.35Å; S54-I58 VanDerWaalsContact O-CG1 3.27Å; S54-I58 WeakPolarHBondContact O-CG1 3.41Å; S54-I58 PolarHBondContact O-N 2.99Å; L55-I58 PolarHBondContact O-N 3.31Å; I58-K60 VanDerWaalsContact C-N 3.33Å; I58-K60 PolarHBondContact O-N 2.72Å; I58-K61 PolarHBondContact O-N 2.97Å; I58-F62 WeakPolarHBondContact O-CB 3.48Å; I58-F62 PolarHBondContact O-N 3.22Å; I58-I65 HydrophobicContact CB-CD1 4.48Å; I58-I65 HydrophobicContact CG2-CD1 3.88Å; I58-L74 HydrophobicContact CD1-CD2 3.96Å; I58-L74 HydrophobicContact CG1-CD2 3.9Å; I58-V77 HydrophobicContact CD1-CG2 4.38Å; I58-M157 HydrophobicContact CD1-CB 4.02Å; I58-M157 HydrophobicContact CD1-CG 4.26Å |
| 59 | N | 92.3 | Very high | 87.3 | Confident | 65 Ų | 65 | 71.9 Ų | 71.9 | 35% | 0.348 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | -178.4 | -166.7 | 36.1 | 0 | 0 | 0 | 112.8 | L55 Y57 I153 | L55-N59 WeakPolarHBondContact O-CB 3.41Å; L55-N59 PolarHBondContact O-N 3.28Å; Y57-N59 PolarHBondContact O-N 2.9Å; N59-I153 HydrophobicContact CB-CD1 4.19Å; N59-I153 HydrophobicContact CB-CG1 3.84Å |
| 60 | K | 91.4 | Very high | 86.8 | Confident | 178 Ų | 178 | 63.8 Ų | 63.8 | 77% | 0.774 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -73.3 | -33.4 | -179.7 | -176.8 | 175.4 | 179.5 | 178.9 | 0 | 112.9 | K56 Y57 I58 | K56-K60 VanDerWaalsContact O-CB 3.28Å; K56-K60 WeakPolarHBondContact O-CB 3.23Å; K56-K60 PolarHBondContact O-N 2.9Å; K56-K60 VanDerWaalsContact O-N 3.09Å; Y57-K60 PolarHBondContact O-N 3.47Å; I58-K60 VanDerWaalsContact C-N 3.33Å; I58-K60 PolarHBondContact O-N 2.72Å |
| 61 | K | 92.3 | Very high | 85.9 | Confident | 99 Ų | 99 | 65.6 Ų | 65.6 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -95.9 | -8.5 | -177.1 | -68.6 | -65 | -167.4 | 171 | 0 | 113.7 | Y57 I58 P63 N64 I65 | Y57-K61 HydrophobicContact CD2-CG 4.14Å; Y57-K61 HydrophobicContact CE1-CG 4.4Å; Y57-K61 HydrophobicContact CE2-CG 3.68Å; Y57-K61 WeakPolarHBondContact O-CB 3.25Å; Y57-K61 PolarHBondContact O-N 3.24Å; I58-K61 PolarHBondContact O-N 2.97Å; K61-P63 CarbonylContact O-C 3.24Å; K61-N64 CarbonylContact O-C 3.46Å; K61-N64 VanDerWaalsContact O-C 3.24Å; K61-N64 WeakPolarHBondContact O-CA 3.3Å; K61-N64 PolarHBondContact O-N 3.16Å; K61-I65 HydrophobicContact CB-CG1 4.37Å |
| 62 | F | 92 | Very high | 85.3 | Confident | 14 Ų | 14 | 74.2 Ų | 74.2 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 129.5 | 179.2 | -168.8 | -89.4 | 0 | 0 | 0 | 111.6 | I58 I65 R152 I155 F173 V180 L181 | I58-F62 WeakPolarHBondContact O-CB 3.48Å; I58-F62 PolarHBondContact O-N 3.22Å; F62-I65 HydrophobicContact CD2-CD1 4.42Å; F62-R152 HydrophobicContact CB-CB 4.26Å; F62-R152 HydrophobicContact CD1-CB 4.06Å; F62-R152 HydrophobicContact CD1-CG 3.85Å; F62-R152 HydrophobicContact CD2-CB 4.05Å; F62-R152 WeakPolarHBondContact CD2-O 3.36Å; F62-R152 HydrophobicContact CE1-CB 4.42Å; F62-R152 HydrophobicContact CE1-CG 4.11Å; F62-R152 HydrophobicContact CE2-CB 4.41Å; F62-R152 WeakPolarHBondContact CE2-O 3.44Å; F62-R152 HydrophobicContact CG-CB 3.85Å; F62-R152 HydrophobicContact CG-CG 4.16Å; F62-I155 HydrophobicContact CE2-CB 4.03Å; F62-I155 HydrophobicContact CE2-CG2 3.92Å; F62-I155 HydrophobicContact CZ-CB 4.28Å; F62-I155 HydrophobicContact CZ-CG2 4.03Å; F62-F173 HydrophobicContact CE2-CE2 4.01Å; F62-F173 HydrophobicContact CE2-CZ 4.29Å; F62-V180 HydrophobicContact CE1-CB 4.11Å; F62-V180 HydrophobicContact CE1-CG1 3.97Å; F62-V180 HydrophobicContact CZ-CB 4.46Å; F62-V180 HydrophobicContact CZ-CG1 4.45Å; F62-L181 HydrophobicContact CD1-CD2 4.42Å |
| 63 | P | 88.7 | Confident | 84.9 | Confident | 19 Ų | 19 | 74.1 Ų | 74.1 | 12% | 0.123 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -94.7 | -6.5 | 4.8 | 23.2 | -6.1 | 0 | 0 | 0 | 113.3 | K61 I65 F173 L181 | K61-P63 CarbonylContact O-C 3.24Å; P63-I65 PolarHBondContact O-N 3.49Å; P63-F173 HydrophobicContact CB-CZ 4.45Å; P63-F173 VanDerWaalsContact O-CE1 3.26Å; P63-F173 WeakPolarHBondContact O-CE1 3.5Å; P63-F173 WeakPolarHBondContact O-CZ 3.34Å; P63-L181 HydrophobicContact CG-CD1 3.78Å; P63-L181 HydrophobicContact CG-CG 4.37Å |
| 64 | N | 88.9 | Confident | 84.8 | Confident | 141 Ų | 141 | 70.9 Ų | 70.9 | 75% | 0.754 | 34% | 0.34 | S | S | * | . | trans | -85.2 | 71 | -175.6 | -63.6 | -37.2 | 0 | 0 | 0 | 112 | K61 | K61-N64 CarbonylContact O-C 3.46Å; K61-N64 VanDerWaalsContact O-C 3.24Å; K61-N64 WeakPolarHBondContact O-CA 3.3Å; K61-N64 PolarHBondContact O-N 3.16Å | ||
| 65 | I | 86 | Confident | 84.6 | Confident | 19 Ų | 19 | 72.1 Ų | 72.1 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | trans | -93.7 | 118.3 | -177.1 | -50.9 | 164.9 | 0 | 0 | 0 | 110.3 | Y57 I58 K61 F62 P63 V67 L74 C160 F173 | Y57-I65 HydrophobicContact CE1-CG2 4.04Å; I58-I65 HydrophobicContact CB-CD1 4.48Å; I58-I65 HydrophobicContact CG2-CD1 3.88Å; K61-I65 HydrophobicContact CB-CG1 4.37Å; F62-I65 HydrophobicContact CD2-CD1 4.42Å; P63-I65 PolarHBondContact O-N 3.49Å; I65-V67 PolarHBondContact O-N 2.75Å; I65-L74 HydrophobicContact CG2-CD1 4.46Å; I65-C160 VanDerWaalsContact CG2-SG 3.55Å; I65-F173 HydrophobicContact CD1-CZ 4.29Å | ||
| 66 | D | 82.6 | Confident | 84.4 | Confident | 63 Ų | 63 | 72.2 Ų | 72.2 | 34% | 0.337 | 35% | 0.354 | S | S | . | . | trans | -84.9 | 98.7 | 175.9 | -173.8 | -17.3 | 0 | 0 | 0 | 111 | R68 N69 S70 | D66-R68 PolarHBondContact OD1-N 3.33Å; D66-R68 VanDerWaalsContact OD1-N 3.11Å; D66-N69 PolarHBondContact OD1-N 2.73Å; D66-N69 WeakPolarHBondContact OD2-CB 3.41Å; D66-N69 PolarHBondContact OD2-ND2 3.41Å; D66-S70 WeakPolarHBondContact O-CB 3.31Å; D66-S70 PolarHBondContact O-OG 3.26Å | ||
| 67 | V | 81.3 | Confident | 84.2 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -28.8 | -177.9 | -179.1 | 0 | 0 | 0 | 0 | 112.4 | I65 C160 E163 M164 | I65-V67 PolarHBondContact O-N 2.75Å; V67-C160 HydrophobicContact CG2-CB 4.27Å; V67-E163 HydrophobicContact CG1-CB 4.48Å; V67-E163 HydrophobicContact CG1-CG 4.42Å; V67-E163 WeakPolarHBondContact CG2-OE2 3.2Å; V67-M164 HydrophobicContact CG1-CE 3.67Å; V67-M164 HydrophobicContact CG1-CG 3.58Å; V67-M164 HydrophobicContact CG1-SD 4.48Å |
| 68 | R | 75.9 | Confident | 84 | Confident | 179 Ų | 179 | 68.5 Ų | 68.5 | 68% | 0.675 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -36.5 | -170.9 | -63.9 | -178.3 | -175.9 | -167.5 | -3.9 | 113 | D66 E163 G167 | D66-R68 PolarHBondContact OD1-N 3.33Å; D66-R68 VanDerWaalsContact OD1-N 3.11Å; R68-E163 IonicContact NE-OE1 3.78Å; R68-G167 PolarHBondContact NH2-O 3.39Å |
| 69 | N | 71.2 | Confident | 83.8 | Confident | 131 Ų | 131 | 77.4 Ų | 77.4 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -7 | -176.3 | -58.4 | -42.1 | 0 | 0 | 0 | 114.3 | D66 | D66-N69 PolarHBondContact OD1-N 2.73Å; D66-N69 WeakPolarHBondContact OD2-CB 3.41Å; D66-N69 PolarHBondContact OD2-ND2 3.41Å |
| 70 | S | 75.4 | Confident | 83.7 | Confident | 15 Ų | 15 | 77.4 Ų | 77.4 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | trans | -109 | 32.2 | -171.2 | -42.6 | 0 | 0 | 0 | 0 | 114.1 | Y57 D66 Q72 H73 L74 | Y57-S70 PolarHBondContact OH-OG 2.92Å; D66-S70 WeakPolarHBondContact O-CB 3.31Å; D66-S70 PolarHBondContact O-OG 3.26Å; S70-Q72 PolarHBondContact O-N 3.04Å; S70-Q72 VanDerWaalsContact O-N 3.13Å; S70-H73 PolarHBondContact O-N 3.23Å; S70-L74 PolarHBondContact O-N 3.28Å; S70-L74 VanDerWaalsContact O-N 3.13Å | ||
| 71 | T | 69.1 | Low | 83.7 | Confident | 98 Ų | 98 | 71.3 Ų | 71.3 | 60% | 0.601 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -57.7 | -26.3 | -177.1 | 34.1 | 0 | 0 | 0 | 0 | 114.2 | H73 G75 | T71-H73 VanDerWaalsContact C-N 3.34Å; T71-H73 PolarHBondContact O-N 3.29Å; T71-G75 PolarHBondContact O-N 3.39Å; T71-G75 VanDerWaalsContact O-N 3.09Å |
| 72 | Q | 74.4 | Confident | 83.6 | Confident | 182 Ų | 182 | 69.5 Ų | 69.5 | 85% | 0.85 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.3 | -32.1 | 175 | -67.8 | -176.7 | -2.8 | 0 | 0 | 113.3 | S70 | S70-Q72 PolarHBondContact O-N 3.04Å; S70-Q72 VanDerWaalsContact O-N 3.13Å |
| 73 | H | 80.4 | Confident | 83.5 | Confident | 87 Ų | 87 | 73.6 Ų | 73.6 | 40% | 0.403 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -95.8 | -27.7 | -179.4 | -63.5 | -55.3 | 0 | 0 | 0 | 113 | S54 Y57 S70 T71 | S54-H73 WeakPolarHBondContact CA-O 3.41Å; S54-H73 WeakPolarHBondContact CB-O 3.4Å; S54-H73 PolarHBondContact OG-O 3.16Å; Y57-H73 HydrophobicContact CD1-CB 4.27Å; Y57-H73 HydrophobicContact CD2-CB 4.3Å; Y57-H73 HydrophobicContact CG-CB 3.97Å; S70-H73 PolarHBondContact O-N 3.23Å; T71-H73 VanDerWaalsContact C-N 3.34Å; T71-H73 PolarHBondContact O-N 3.29Å |
| 74 | L | 85.8 | Confident | 83.6 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -102.6 | 7.2 | -177.2 | -62.4 | 173.8 | 0 | 0 | 0 | 113.9 | Y57 I58 I65 S70 V77 H78 M164 | Y57-L74 HydrophobicContact CD1-CD2 4.11Å; Y57-L74 HydrophobicContact CD1-CG 4.22Å; Y57-L74 HydrophobicContact CE1-CD1 4.36Å; Y57-L74 HydrophobicContact CE1-CG 4.45Å; I58-L74 HydrophobicContact CD1-CD2 3.96Å; I58-L74 HydrophobicContact CG1-CD2 3.9Å; I65-L74 HydrophobicContact CG2-CD1 4.46Å; S70-L74 PolarHBondContact O-N 3.28Å; S70-L74 VanDerWaalsContact O-N 3.13Å; L74-V77 HydrophobicContact CD2-CG2 4.34Å; L74-V77 PolarHBondContact O-N 3.32Å; L74-V77 VanDerWaalsContact O-N 3.12Å; L74-H78 PolarHBondContact O-N 3.19Å; L74-M164 HydrophobicContact CB-CE 3.67Å; L74-M164 HydrophobicContact CD1-CE 4.05Å; L74-M164 HydrophobicContact CG-CE 4.47Å |
| 75 | G | 84.4 | Confident | 83.8 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 27% | 0.268 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -53.2 | -41.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | T71 H78 R79 | T71-G75 PolarHBondContact O-N 3.39Å; T71-G75 VanDerWaalsContact O-N 3.09Å; G75-H78 PolarHBondContact O-N 3.27Å; G75-R79 PolarHBondContact O-N 3.38Å |
| 76 | P | 86.7 | Confident | 84 | Confident | 18 Ų | 18 | 74 Ų | 74 | 12% | 0.117 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 171.6 | -25.5 | 36.4 | 0 | 0 | 0 | 113.5 | S50 M51 H78 R79 E80 | S50-P76 WeakPolarHBondContact O-CG 3.47Å; M51-P76 HydrophobicContact SD-CB 3.34Å; M51-P76 WeakPolarHBondContact SD-CB 3.24Å; P76-H78 VanDerWaalsContact C-N 3.27Å; P76-H78 PolarHBondContact O-N 3.19Å; P76-R79 PolarHBondContact O-N 2.93Å; P76-R79 VanDerWaalsContact O-N 3.1Å; P76-E80 PolarHBondContact O-N 3.19Å |
| 77 | V | 87.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.5 | -38.1 | 176.8 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | M51 I58 L74 R79 E80 K81 I84 M157 C160 A161 M164 | M51-V77 HydrophobicContact CE-CG2 3.96Å; I58-V77 HydrophobicContact CD1-CG2 4.38Å; L74-V77 HydrophobicContact CD2-CG2 4.34Å; L74-V77 PolarHBondContact O-N 3.32Å; L74-V77 VanDerWaalsContact O-N 3.12Å; V77-R79 VanDerWaalsContact C-N 3.34Å; V77-R79 PolarHBondContact O-N 3.14Å; V77-E80 PolarHBondContact O-N 3.35Å; V77-K81 WeakPolarHBondContact O-CA 3.41Å; V77-K81 WeakPolarHBondContact O-CB 3.47Å; V77-K81 PolarHBondContact O-N 3.47Å; V77-I84 HydrophobicContact CB-CD1 4.28Å; V77-I84 HydrophobicContact CG1-CD1 3.9Å; V77-I84 HydrophobicContact CG2-CD1 4.47Å; V77-M157 HydrophobicContact CG2-CG 4.48Å; V77-C160 HydrophobicContact CG1-CB 4.34Å; V77-A161 HydrophobicContact CG1-CB 4.41Å; V77-M164 HydrophobicContact CG1-SD 4.44Å |
| 78 | H | 86.3 | Confident | 84.8 | Confident | 92 Ų | 92 | 73.7 Ų | 73.7 | 43% | 0.426 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 177.6 | -168.3 | 80.1 | 0 | 0 | 0 | 113.3 | L74 G75 P76 K81 M164 | L74-H78 PolarHBondContact O-N 3.19Å; G75-H78 PolarHBondContact O-N 3.27Å; P76-H78 VanDerWaalsContact C-N 3.27Å; P76-H78 PolarHBondContact O-N 3.19Å; H78-K81 PolarHBondContact CE1-NZ 3.26Å; H78-K81 VanDerWaalsContact CE1-NZ 3.33Å; H78-K81 WeakPolarHBondContact O-CD 3.13Å; H78-K81 WeakPolarHBondContact O-CG 3.4Å; H78-M164 VanDerWaalsContact CA-SD 3.58Å; H78-M164 HydrophobicContact CB-CE 4.3Å; H78-M164 HydrophobicContact CB-SD 3.67Å; H78-M164 PolarHBondContact ND1-SD 3.03Å; H78-M164 VanDerWaalsContact ND1-SD 3.39Å |
| 79 | R | 88.3 | Confident | 85.6 | Confident | 187 Ų | 187 | 67.1 Ų | 67.1 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -69 | -36.1 | 178.5 | -74.6 | -176.2 | -74.4 | 169.8 | -0.3 | 112 | G75 P76 V77 | G75-R79 PolarHBondContact O-N 3.38Å; P76-R79 PolarHBondContact O-N 2.93Å; P76-R79 VanDerWaalsContact O-N 3.1Å; V77-R79 VanDerWaalsContact C-N 3.34Å; V77-R79 PolarHBondContact O-N 3.14Å |
| 80 | E | 89.6 | Confident | 86.6 | Confident | 66 Ų | 66 | 65.3 Ų | 65.3 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -108.1 | 11.9 | -174.5 | -68.5 | 177.6 | -151.8 | 0 | 0 | 114.2 | P76 V77 A82 E83 I84 | P76-E80 PolarHBondContact O-N 3.19Å; V77-E80 PolarHBondContact O-N 3.35Å; E80-A82 PolarHBondContact O-N 2.83Å; E80-E83 PolarHBondContact O-N 3.05Å; E80-I84 HydrophobicContact CB-CD1 4.15Å; E80-I84 HydrophobicContact CB-CG1 4.29Å; E80-I84 WeakPolarHBondContact O-CG1 3.38Å; E80-I84 PolarHBondContact O-N 3.23Å |
| 81 | K | 90.8 | Very high | 87.4 | Confident | 49 Ų | 49 | 66.3 Ų | 66.3 | 21% | 0.213 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -50.3 | -36.6 | -172.7 | 62.5 | -171.8 | 176.9 | -173.2 | 0 | 115 | V77 H78 I85 A161 M164 | V77-K81 WeakPolarHBondContact O-CA 3.41Å; V77-K81 WeakPolarHBondContact O-CB 3.47Å; V77-K81 PolarHBondContact O-N 3.47Å; H78-K81 PolarHBondContact CE1-NZ 3.26Å; H78-K81 VanDerWaalsContact CE1-NZ 3.33Å; H78-K81 WeakPolarHBondContact O-CD 3.13Å; H78-K81 WeakPolarHBondContact O-CG 3.4Å; K81-I85 WeakPolarHBondContact O-CG1 3.34Å; K81-I85 PolarHBondContact O-N 3.48Å; K81-I85 VanDerWaalsContact O-N 3.11Å; K81-A161 HydrophobicContact CB-CB 4.06Å; K81-M164 HydrophobicContact CD-CB 3.94Å; K81-M164 PolarHBondContact NZ-O 3.43Å |
| 82 | A | 90.8 | Very high | 88.7 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 51% | 0.512 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.3 | -42.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E80 R86 | E80-A82 PolarHBondContact O-N 2.83Å; A82-R86 WeakPolarHBondContact O-CB 3.44Å; A82-R86 PolarHBondContact O-N 3.21Å |
| 83 | E | 89.3 | Confident | 89.7 | Confident | 100 Ų | 100 | 56.8 Ų | 56.8 | 47% | 0.467 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.3 | -39.2 | 177.4 | -74 | -59.4 | 134.9 | 0 | 0 | 111.7 | E80 I85 R86 F87 | E80-E83 PolarHBondContact O-N 3.05Å; E83-I85 PolarHBondContact O-N 3.33Å; E83-R86 PolarHBondContact O-N 3.07Å; E83-R86 IonicContact OE1-NE 3.66Å; E83-R86 IonicContact OE2-CZ 3.9Å; E83-R86 VanDerWaalsContact OE2-CZ 3.26Å; E83-R86 IonicContact OE2-NE 2.76Å; E83-R86 PolarHBondContact OE2-NE 3.01Å; E83-R86 IonicContact OE2-NH2 3.8Å; E83-R86 PolarHBondContact OE2-NH2 3.34Å; E83-F87 PolarHBondContact O-N 3.18Å |
| 84 | I | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 175.4 | -67.8 | 171.7 | 0 | 0 | 0 | 110.6 | F45 M51 V77 E80 F87 L88 M157 A161 | F45-I84 HydrophobicContact CD1-CG1 4.47Å; M51-I84 HydrophobicContact CE-CD1 3.74Å; V77-I84 HydrophobicContact CB-CD1 4.28Å; V77-I84 HydrophobicContact CG1-CD1 3.9Å; V77-I84 HydrophobicContact CG2-CD1 4.47Å; E80-I84 HydrophobicContact CB-CD1 4.15Å; E80-I84 HydrophobicContact CB-CG1 4.29Å; E80-I84 WeakPolarHBondContact O-CG1 3.38Å; E80-I84 PolarHBondContact O-N 3.23Å; I84-F87 PolarHBondContact O-N 2.84Å; I84-L88 HydrophobicContact CG2-CD1 3.78Å; I84-L88 HydrophobicContact CG2-CG 4.48Å; I84-L88 VanDerWaalsContact O-CB 3.28Å; I84-L88 WeakPolarHBondContact O-CB 3.43Å; I84-L88 WeakPolarHBondContact O-CG 3.27Å; I84-L88 PolarHBondContact O-N 2.79Å; I84-M157 HydrophobicContact CD1-CG 4.35Å; I84-M157 HydrophobicContact CD1-SD 4.49Å; I84-M157 HydrophobicContact CG2-CG 3.82Å; I84-A161 HydrophobicContact CB-CB 4.12Å; I84-A161 HydrophobicContact CG2-CB 3.77Å |
| 85 | I | 92.3 | Very high | 90.9 | Very high | 23 Ų | 23 | 52.8 Ų | 52.8 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61 | -52.5 | 175.8 | -72 | 169 | 0 | 0 | 0 | 109.7 | K81 E83 F87 L88 T89 Y158 A161 L165 | K81-I85 WeakPolarHBondContact O-CG1 3.34Å; K81-I85 PolarHBondContact O-N 3.48Å; K81-I85 VanDerWaalsContact O-N 3.11Å; E83-I85 PolarHBondContact O-N 3.33Å; I85-F87 PolarHBondContact O-N 3.39Å; I85-F87 VanDerWaalsContact O-N 3.11Å; I85-L88 PolarHBondContact O-N 3Å; I85-T89 PolarHBondContact O-N 3.45Å; I85-T89 PolarHBondContact O-OG1 3.16Å; I85-Y158 HydrophobicContact CG2-CE2 4.27Å; I85-A161 HydrophobicContact CD1-CB 4.27Å; I85-A161 HydrophobicContact CG1-CB 3.85Å; I85-L165 HydrophobicContact CD1-CB 3.98Å; I85-L165 HydrophobicContact CD1-CD2 3.55Å; I85-L165 HydrophobicContact CD1-CG 4.4Å |
| 86 | R | 90.4 | Very high | 91.5 | Very high | 165 Ų | 165 | 51.8 Ų | 51.8 | 62% | 0.623 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -51.3 | -41.3 | -178.3 | -171.3 | -176 | 68.9 | 78.7 | 0.9 | 112.5 | A82 E83 | A82-R86 WeakPolarHBondContact O-CB 3.44Å; A82-R86 PolarHBondContact O-N 3.21Å; E83-R86 PolarHBondContact O-N 3.07Å; E83-R86 IonicContact OE1-NE 3.66Å; E83-R86 IonicContact OE2-CZ 3.9Å; E83-R86 VanDerWaalsContact OE2-CZ 3.26Å; E83-R86 IonicContact OE2-NE 2.76Å; E83-R86 PolarHBondContact OE2-NE 3.01Å; E83-R86 IonicContact OE2-NH2 3.8Å; E83-R86 PolarHBondContact OE2-NH2 3.34Å |
| 87 | F | 88.7 | Confident | 91.9 | Very high | 66 Ų | 66 | 52.3 Ų | 52.3 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -79.3 | -46.1 | 179.6 | -166.1 | -76.1 | 0 | 0 | 0 | 112.8 | P43 F45 E83 I84 I85 Y91 | P43-F87 HydrophobicContact CB-CD1 4.13Å; P43-F87 HydrophobicContact CB-CE1 3.72Å; P43-F87 HydrophobicContact CB-CZ 4.03Å; P43-F87 HydrophobicContact CG-CD1 4.25Å; P43-F87 HydrophobicContact CG-CE1 3.53Å; P43-F87 HydrophobicContact CG-CZ 4.04Å; F45-F87 HydrophobicContact CE1-CB 3.94Å; F45-F87 HydrophobicContact CE1-CD1 4.09Å; F45-F87 AromaticContact CE1-CG 3.97Å; F45-F87 HydrophobicContact CE1-CG 3.97Å; F45-F87 HydrophobicContact CZ-CB 4.37Å; F45-F87 AromaticContact CZ-CD1 3.89Å; F45-F87 HydrophobicContact CZ-CD1 3.89Å; F45-F87 HydrophobicContact CZ-CG 4.24Å; E83-F87 PolarHBondContact O-N 3.18Å; I84-F87 PolarHBondContact O-N 2.84Å; I85-F87 PolarHBondContact O-N 3.39Å; I85-F87 VanDerWaalsContact O-N 3.11Å; F87-Y91 AromaticContact CE1-CE2 3.93Å; F87-Y91 HydrophobicContact CE1-CE2 3.93Å |
| 88 | L | 92.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -85.3 | -13.6 | -170.3 | -67.8 | -178.9 | 0 | 0 | 0 | 114.7 | F45 I84 I85 N90 Y91 Y92 L154 M157 Y158 | F45-L88 HydrophobicContact CE2-CD1 4.27Å; F45-L88 HydrophobicContact CE2-CD2 4.21Å; F45-L88 HydrophobicContact CE2-CG 4.34Å; F45-L88 HydrophobicContact CZ-CD1 4.14Å; F45-L88 HydrophobicContact CZ-CD2 3.79Å; F45-L88 HydrophobicContact CZ-CG 3.78Å; I84-L88 HydrophobicContact CG2-CD1 3.78Å; I84-L88 HydrophobicContact CG2-CG 4.48Å; I84-L88 VanDerWaalsContact O-CB 3.28Å; I84-L88 WeakPolarHBondContact O-CB 3.43Å; I84-L88 WeakPolarHBondContact O-CG 3.27Å; I84-L88 PolarHBondContact O-N 2.79Å; I85-L88 PolarHBondContact O-N 3Å; L88-N90 VanDerWaalsContact C-N 3.3Å; L88-N90 PolarHBondContact O-N 3.22Å; L88-Y91 HydrophobicContact CD2-CD2 4.04Å; L88-Y91 PolarHBondContact O-N 3Å; L88-Y92 WeakPolarHBondContact O-CB 3.46Å; L88-Y92 PolarHBondContact O-N 3.43Å; L88-L154 HydrophobicContact CD2-CD2 3.62Å; L88-M157 HydrophobicContact CD1-CB 4.29Å; L88-M157 HydrophobicContact CD1-CE 3.82Å; L88-M157 HydrophobicContact CD1-CG 4.41Å; L88-Y158 HydrophobicContact CB-CD2 3.94Å; L88-Y158 HydrophobicContact CB-CG 4.49Å |
| 89 | T | 93.3 | Very high | 92.9 | Very high | 41 Ų | 41 | 48.1 Ų | 48.1 | 25% | 0.252 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -49.6 | -50.7 | -179.9 | -65.5 | 0 | 0 | 0 | 0 | 111.8 | I85 Y91 Y92 Q93 | I85-T89 PolarHBondContact O-N 3.45Å; I85-T89 PolarHBondContact O-OG1 3.16Å; T89-Y91 VanDerWaalsContact C-N 3.31Å; T89-Y91 PolarHBondContact O-N 2.6Å; T89-Y92 PolarHBondContact O-N 3.09Å; T89-Q93 HydrophobicContact CG2-CG 4.32Å; T89-Q93 WeakPolarHBondContact O-CB 3.43Å; T89-Q93 VanDerWaalsContact O-CG 3.31Å; T89-Q93 WeakPolarHBondContact O-CG 3.4Å; T89-Q93 PolarHBondContact O-N 3.04Å |
| 90 | N | 91.2 | Very high | 93.2 | Very high | 92 Ų | 92 | 43.1 Ų | 43.1 | 49% | 0.492 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.4 | -34.5 | -178.2 | -70.1 | -11.3 | 0 | 0 | 0 | 112.5 | L88 S94 | L88-N90 VanDerWaalsContact C-N 3.3Å; L88-N90 PolarHBondContact O-N 3.22Å; N90-S94 WeakPolarHBondContact O-CB 3.35Å; N90-S94 PolarHBondContact O-N 3.4Å; N90-S94 VanDerWaalsContact O-N 3.1Å; N90-S94 PolarHBondContact O-OG 3.17Å |
| 91 | Y | 93.3 | Very high | 93.6 | Very high | 37 Ų | 37 | 40.2 Ų | 40.2 | 15% | 0.145 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.6 | -45.3 | 177.4 | -70.7 | 6.7 | 0 | 0 | 0 | 110.6 | I32 T35 P43 F87 L88 T89 S94 F95 L154 | I32-Y91 HydrophobicContact CD1-CD1 4.01Å; I32-Y91 HydrophobicContact CD1-CG 4.13Å; I32-Y91 HydrophobicContact CG1-CD1 3.79Å; I32-Y91 HydrophobicContact CG1-CE1 3.98Å; I32-Y91 HydrophobicContact CG1-CG 4.13Å; I32-Y91 HydrophobicContact CG2-CD2 4.29Å; I32-Y91 HydrophobicContact CG2-CE2 4.47Å; T35-Y91 VanDerWaalsContact CG2-OH 3.26Å; T35-Y91 WeakPolarHBondContact CG2-OH 3.48Å; P43-Y91 HydrophobicContact CG-CE2 4.37Å; F87-Y91 AromaticContact CE1-CE2 3.93Å; F87-Y91 HydrophobicContact CE1-CE2 3.93Å; L88-Y91 HydrophobicContact CD2-CD2 4.04Å; L88-Y91 PolarHBondContact O-N 3Å; T89-Y91 VanDerWaalsContact C-N 3.31Å; T89-Y91 PolarHBondContact O-N 2.6Å; Y91-S94 WeakPolarHBondContact O-CB 3.42Å; Y91-S94 PolarHBondContact O-N 3.01Å; Y91-F95 WeakPolarHBondContact O-CD2 3.45Å; Y91-F95 PolarHBondContact O-N 3.3Å; Y91-L154 HydrophobicContact CD2-CD1 4.47Å; Y91-L154 HydrophobicContact CD2-CD2 4.36Å |
| 92 | Y | 95.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.5 | -49 | 176.6 | -176 | -95 | 0 | 0 | 0 | 111.6 | L88 T89 S94 F95 V96 I155 Y158 D170 F173 L176 | L88-Y92 WeakPolarHBondContact O-CB 3.46Å; L88-Y92 PolarHBondContact O-N 3.43Å; T89-Y92 PolarHBondContact O-N 3.09Å; Y92-S94 VanDerWaalsContact C-N 3.26Å; Y92-S94 PolarHBondContact O-N 3.33Å; Y92-F95 WeakPolarHBondContact O-CB 3.18Å; Y92-F95 PolarHBondContact O-N 3.19Å; Y92-V96 HydrophobicContact CD1-CG2 4.02Å; Y92-V96 HydrophobicContact CE1-CG2 3.66Å; Y92-V96 WeakPolarHBondContact O-CG2 3.36Å; Y92-V96 PolarHBondContact O-N 3.24Å; Y92-I155 HydrophobicContact CD2-CG2 4.23Å; Y92-I155 HydrophobicContact CE2-CG2 3.91Å; Y92-Y158 AromaticContact CD1-CD1 3.63Å; Y92-Y158 HydrophobicContact CD1-CD1 3.63Å; Y92-Y158 AromaticContact CD1-CE1 3.33Å; Y92-Y158 HydrophobicContact CD1-CE1 3.33Å; Y92-Y158 HydrophobicContact CD1-CG 4.46Å; Y92-Y158 AromaticContact CD1-CZ 3.97Å; Y92-Y158 AromaticContact CD2-CD1 3.3Å; Y92-Y158 HydrophobicContact CD2-CD1 3.3Å; Y92-Y158 AromaticContact CD2-CE1 3.95Å; Y92-Y158 HydrophobicContact CD2-CE1 3.95Å; Y92-Y158 AromaticContact CD2-CG 3.86Å; Y92-Y158 HydrophobicContact CD2-CG 3.86Å; Y92-Y158 HydrophobicContact CE1-CD1 4Å; Y92-Y158 AromaticContact CE1-CE1 3.65Å; Y92-Y158 HydrophobicContact CE1-CE1 3.65Å; Y92-Y158 AromaticContact CE2-CD1 3.7Å; Y92-Y158 HydrophobicContact CE2-CD1 3.7Å; Y92-Y158 HydrophobicContact CE2-CE1 4.22Å; Y92-Y158 AromaticContact CG-CD1 3.25Å; Y92-Y158 HydrophobicContact CG-CD1 3.25Å; Y92-Y158 HydrophobicContact CG-CD2 4.43Å; Y92-Y158 AromaticContact CG-CE1 3.49Å; Y92-Y158 HydrophobicContact CG-CE1 3.49Å; Y92-Y158 VanDerWaalsContact CG-CE1 3.49Å; Y92-Y158 AromaticContact CG-CG 3.77Å; Y92-Y158 HydrophobicContact CG-CG 3.77Å; Y92-D170 HydrophobicContact CE1-CB 4.26Å; Y92-D170 WeakPolarHBondContact CE1-OD1 3.39Å; Y92-D170 VanDerWaalsContact OH-CG 3.25Å; Y92-D170 PolarHBondContact OH-OD1 3.26Å; Y92-F173 HydrophobicContact CE2-CD2 4.45Å; Y92-F173 VanDerWaalsContact OH-CA 3.26Å; Y92-F173 WeakPolarHBondContact OH-CA 3.46Å; Y92-F173 WeakPolarHBondContact OH-CB 3.21Å; Y92-F173 PolarHBondContact OH-N 3.34Å; Y92-F173 VanDerWaalsContact OH-N 3.13Å; Y92-L176 HydrophobicContact CD2-CD2 4.3Å; Y92-L176 HydrophobicContact CE2-CD2 3.8Å |
| 93 | Q | 94.8 | Very high | 94 | Very high | 78 Ų | 78 | 38.8 Ų | 38.8 | 36% | 0.364 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.9 | -36.9 | 176.1 | -67.1 | -56.4 | -25.7 | 0 | 0 | 112 | T89 F95 V96 D97 | T89-Q93 HydrophobicContact CG2-CG 4.32Å; T89-Q93 WeakPolarHBondContact O-CB 3.43Å; T89-Q93 VanDerWaalsContact O-CG 3.31Å; T89-Q93 WeakPolarHBondContact O-CG 3.4Å; T89-Q93 PolarHBondContact O-N 3.04Å; Q93-F95 VanDerWaalsContact C-N 3.32Å; Q93-F95 PolarHBondContact O-N 3.3Å; Q93-V96 WeakPolarHBondContact O-CB 3.26Å; Q93-V96 PolarHBondContact O-N 3.23Å; Q93-D97 PolarHBondContact O-N 3.13Å |
| 94 | S | 95.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.5 | -34.7 | 175 | -51.5 | 0 | 0 | 0 | 0 | 112.4 | R28 M29 N90 Y91 Y92 D97 V98 | R28-S94 PolarHBondContact NE-OG 3.14Å; R28-S94 PolarHBondContact NH2-OG 3.04Å; M29-S94 WeakPolarHBondContact CE-O 3.4Å; N90-S94 WeakPolarHBondContact O-CB 3.35Å; N90-S94 PolarHBondContact O-N 3.4Å; N90-S94 VanDerWaalsContact O-N 3.1Å; N90-S94 PolarHBondContact O-OG 3.17Å; Y91-S94 WeakPolarHBondContact O-CB 3.42Å; Y91-S94 PolarHBondContact O-N 3.01Å; Y92-S94 VanDerWaalsContact C-N 3.26Å; Y92-S94 PolarHBondContact O-N 3.33Å; S94-D97 PolarHBondContact O-N 3.12Å; S94-V98 WeakPolarHBondContact O-CG2 3.31Å; S94-V98 PolarHBondContact O-N 2.87Å; S94-V98 VanDerWaalsContact O-N 3.15Å |
| 95 | F | 96.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.5 | -34.4 | 173 | -67.5 | -57.6 | 0 | 0 | 0 | 112.4 | M29 I32 Y91 Y92 Q93 V98 M99 L145 I148 R151 L154 I155 L176 | M29-F95 HydrophobicContact CE-CD1 4.18Å; M29-F95 HydrophobicContact CE-CE1 4.4Å; M29-F95 HydrophobicContact SD-CD1 3.89Å; M29-F95 HydrophobicContact SD-CE1 3.86Å; I32-F95 HydrophobicContact CG2-CZ 4.09Å; Y91-F95 WeakPolarHBondContact O-CD2 3.45Å; Y91-F95 PolarHBondContact O-N 3.3Å; Y92-F95 WeakPolarHBondContact O-CB 3.18Å; Y92-F95 PolarHBondContact O-N 3.19Å; Q93-F95 VanDerWaalsContact C-N 3.32Å; Q93-F95 PolarHBondContact O-N 3.3Å; F95-V98 PolarHBondContact O-N 2.84Å; F95-M99 PolarHBondContact O-N 3.46Å; F95-L145 HydrophobicContact CD1-CD1 3.58Å; F95-L145 HydrophobicContact CE1-CD1 3.58Å; F95-I148 HydrophobicContact CE1-CD1 3.93Å; F95-I148 HydrophobicContact CZ-CD1 4.27Å; F95-R151 HydrophobicContact CE1-CB 4.46Å; F95-R151 HydrophobicContact CZ-CB 4.39Å; F95-L154 HydrophobicContact CE2-CB 4.09Å; F95-L154 HydrophobicContact CE2-CD1 4.14Å; F95-L154 HydrophobicContact CZ-CD1 4.12Å; F95-I155 HydrophobicContact CB-CD1 4.11Å; F95-I155 HydrophobicContact CB-CG1 4.26Å; F95-I155 HydrophobicContact CD1-CD1 4.28Å; F95-I155 HydrophobicContact CD2-CD1 3.92Å; F95-I155 HydrophobicContact CD2-CG1 3.49Å; F95-I155 VanDerWaalsContact CD2-CG1 3.49Å; F95-I155 HydrophobicContact CE2-CD1 4.41Å; F95-I155 HydrophobicContact CE2-CG1 3.96Å; F95-I155 HydrophobicContact CG-CD1 3.86Å; F95-I155 HydrophobicContact CG-CG1 3.94Å; F95-L176 HydrophobicContact CB-CD1 4.09Å; F95-L176 HydrophobicContact CB-CD2 3.89Å; F95-L176 WeakPolarHBondContact O-CD1 3.4Å |
| 96 | V | 96.7 | Very high | 94.8 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 170.9 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | Y92 Q93 V98 M99 E100 L176 | Y92-V96 HydrophobicContact CD1-CG2 4.02Å; Y92-V96 HydrophobicContact CE1-CG2 3.66Å; Y92-V96 WeakPolarHBondContact O-CG2 3.36Å; Y92-V96 PolarHBondContact O-N 3.24Å; Q93-V96 WeakPolarHBondContact O-CB 3.26Å; Q93-V96 PolarHBondContact O-N 3.23Å; V96-V98 VanDerWaalsContact C-N 3.26Å; V96-V98 PolarHBondContact O-N 2.93Å; V96-M99 HydrophobicContact CG1-CE 4.36Å; V96-M99 WeakPolarHBondContact O-CA 3.35Å; V96-M99 WeakPolarHBondContact O-CB 3.48Å; V96-M99 PolarHBondContact O-N 3.13Å; V96-E100 HydrophobicContact CG1-CG 4.36Å; V96-E100 PolarHBondContact O-N 3.23Å; V96-L176 HydrophobicContact CG2-CD2 4.08Å |
| 97 | D | 96.1 | Very high | 95 | Very high | 28 Ų | 28 | 38.1 Ų | 38.1 | 15% | 0.15 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.8 | -37.7 | 175.9 | -73.2 | -33.4 | 0 | 0 | 0 | 112.3 | R21 V25 Q93 S94 F101 | R21-D97 IonicContact CZ-OD1 3.69Å; R21-D97 IonicContact NH2-OD1 2.93Å; R21-D97 PolarHBondContact NH2-OD1 3.43Å; R21-D97 IonicContact NH2-OD2 2.96Å; V25-D97 HydrophobicContact CG2-CB 4.23Å; Q93-D97 PolarHBondContact O-N 3.13Å; S94-D97 PolarHBondContact O-N 3.12Å; D97-F101 WeakPolarHBondContact O-CB 3.29Å; D97-F101 PolarHBondContact O-N 3.23Å |
| 98 | V | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 173.8 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | V25 M29 S94 F95 V96 R102 V141 I142 L145 M179 | V25-V98 HydrophobicContact CG1-CB 4.32Å; V25-V98 HydrophobicContact CG1-CG2 3.44Å; V25-V98 VanDerWaalsContact CG1-CG2 3.44Å; M29-V98 HydrophobicContact CE-CG2 3.84Å; M29-V98 HydrophobicContact CG-CG2 3.61Å; M29-V98 HydrophobicContact SD-CG2 3.62Å; S94-V98 WeakPolarHBondContact O-CG2 3.31Å; S94-V98 PolarHBondContact O-N 2.87Å; S94-V98 VanDerWaalsContact O-N 3.15Å; F95-V98 PolarHBondContact O-N 2.84Å; V96-V98 VanDerWaalsContact C-N 3.26Å; V96-V98 PolarHBondContact O-N 2.93Å; V98-R102 VanDerWaalsContact O-CB 3.3Å; V98-R102 WeakPolarHBondContact O-CB 3.49Å; V98-R102 PolarHBondContact O-N 2.85Å; V98-V141 HydrophobicContact CB-CG1 4.42Å; V98-V141 HydrophobicContact CG1-CG1 3.71Å; V98-V141 HydrophobicContact CG2-CG1 4Å; V98-I142 HydrophobicContact CG1-CD1 4.43Å; V98-L145 HydrophobicContact CG1-CD2 4.16Å; V98-M179 HydrophobicContact CG1-CE 4.08Å |
| 99 | M | 96.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.02 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.3 | -48 | 178.4 | 179.9 | -173.9 | 66.8 | 0 | 0 | 111.4 | F95 V96 R102 D103 R175 L176 M179 | F95-M99 PolarHBondContact O-N 3.46Å; V96-M99 HydrophobicContact CG1-CE 4.36Å; V96-M99 WeakPolarHBondContact O-CA 3.35Å; V96-M99 WeakPolarHBondContact O-CB 3.48Å; V96-M99 PolarHBondContact O-N 3.13Å; M99-R102 WeakPolarHBondContact O-CB 3.32Å; M99-R102 PolarHBondContact O-N 3.14Å; M99-D103 PolarHBondContact O-N 2.86Å; M99-R175 HydrophobicContact CE-CB 4.35Å; M99-R175 HydrophobicContact SD-CB 3.58Å; M99-R175 VanDerWaalsContact SD-CB 3.58Å; M99-L176 HydrophobicContact CB-CD1 4.26Å; M99-L176 HydrophobicContact SD-CB 4.07Å; M99-L176 PolarHBondContact SD-N 3.12Å; M99-L176 VanDerWaalsContact SD-N 3.43Å; M99-M179 VanDerWaalsContact CA-SD 3.5Å; M99-M179 HydrophobicContact CB-CE 4Å; M99-M179 HydrophobicContact CB-SD 3.63Å; M99-M179 HydrophobicContact CG-SD 3.84Å |
| 100 | E | 96.1 | Very high | 95.5 | Very high | 83 Ų | 83 | 35.8 Ų | 35.8 | 39% | 0.388 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 177.8 | -67.8 | -175.3 | 176 | 0 | 0 | 111.4 | V96 R102 D103 H104 | V96-E100 HydrophobicContact CG1-CG 4.36Å; V96-E100 PolarHBondContact O-N 3.23Å; E100-R102 VanDerWaalsContact C-N 3.33Å; E100-R102 PolarHBondContact O-N 2.89Å; E100-D103 PolarHBondContact O-N 3.36Å; E100-H104 PolarHBondContact O-N 3.47Å; E100-H104 PolarHBondContact O-ND1 3.08Å |
| 101 | F | 97.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.1 | -47.3 | 174.7 | 173.3 | -115.8 | 0 | 0 | 0 | 111.3 | L18 R21 G22 V25 D97 D103 H104 V105 L134 T137 Y138 V141 | L18-F101 HydrophobicContact CB-CE2 4.33Å; L18-F101 HydrophobicContact CD2-CD2 4.22Å; L18-F101 HydrophobicContact CD2-CE2 4.4Å; L18-F101 VanDerWaalsContact O-CE2 3.27Å; L18-F101 WeakPolarHBondContact O-CE2 3.19Å; R21-F101 HydrophobicContact CG-CD2 4.33Å; G22-F101 VanDerWaalsContact CA-CZ 3.49Å; V25-F101 HydrophobicContact CG2-CB 4.47Å; D97-F101 WeakPolarHBondContact O-CB 3.29Å; D97-F101 PolarHBondContact O-N 3.23Å; F101-D103 VanDerWaalsContact C-N 3.33Å; F101-D103 PolarHBondContact O-N 2.9Å; F101-H104 PolarHBondContact O-N 2.64Å; F101-V105 HydrophobicContact CD2-CG2 3.93Å; F101-V105 HydrophobicContact CE1-CG2 4.16Å; F101-V105 HydrophobicContact CE2-CG2 3.46Å; F101-V105 VanDerWaalsContact CE2-CG2 3.46Å; F101-V105 HydrophobicContact CG-CG2 4.43Å; F101-V105 HydrophobicContact CZ-CG2 3.61Å; F101-V105 VanDerWaalsContact O-CG2 3.28Å; F101-V105 WeakPolarHBondContact O-CG2 3.18Å; F101-V105 PolarHBondContact O-N 3.09Å; F101-L134 HydrophobicContact CE2-CD1 4.07Å; F101-L134 HydrophobicContact CZ-CD1 4Å; F101-T137 HydrophobicContact CZ-CG2 4.43Å; F101-Y138 HydrophobicContact CE1-CD2 4.34Å; F101-V141 HydrophobicContact CE1-CG2 4.15Å |
| 102 | R | 95.6 | Very high | 95.7 | Very high | 40 Ų | 40 | 30.8 Ų | 30.8 | 15% | 0.151 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.1 | -44.4 | 176.5 | 176.4 | -98.2 | 167.3 | -146.1 | -9 | 111.9 | V98 M99 E100 V105 Y106 Y138 Y183 E193 | V98-R102 VanDerWaalsContact O-CB 3.3Å; V98-R102 WeakPolarHBondContact O-CB 3.49Å; V98-R102 PolarHBondContact O-N 2.85Å; M99-R102 WeakPolarHBondContact O-CB 3.32Å; M99-R102 PolarHBondContact O-N 3.14Å; E100-R102 VanDerWaalsContact C-N 3.33Å; E100-R102 PolarHBondContact O-N 2.89Å; R102-V105 PolarHBondContact O-N 3.48Å; R102-Y106 WeakPolarHBondContact O-CB 3.28Å; R102-Y106 PolarHBondContact O-N 3.13Å; R102-Y138 HydrophobicContact CB-CE2 3.83Å; R102-Y138 HydrophobicContact CG-CE2 3.51Å; R102-Y138 WeakPolarHBondContact CG-OH 3.49Å; R102-Y183 PolarHBondContact NE-OH 3.13Å; R102-E193 IonicContact CZ-OE1 2.7Å; R102-E193 IonicContact NE-OE1 3.66Å; R102-E193 PolarHBondContact NE-OE1 3.46Å; R102-E193 IonicContact NH2-OE1 3.66Å; R102-E193 PolarHBondContact NH2-OE1 3.27Å |
| 103 | D | 95.2 | Very high | 95.5 | Very high | 41 Ų | 41 | 32.4 Ų | 32.4 | 22% | 0.219 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 179.9 | -70.6 | -20.9 | 0 | 0 | 0 | 112.1 | M99 E100 F101 Y106 E107 R175 | M99-D103 PolarHBondContact O-N 2.86Å; E100-D103 PolarHBondContact O-N 3.36Å; F101-D103 VanDerWaalsContact C-N 3.33Å; F101-D103 PolarHBondContact O-N 2.9Å; D103-Y106 PolarHBondContact O-N 3.13Å; D103-E107 PolarHBondContact O-N 3.32Å; D103-R175 IonicContact OD2-CZ 3.71Å; D103-R175 IonicContact OD2-NH2 2.64Å; D103-R175 PolarHBondContact OD2-NH2 3.34Å |
| 104 | H | 97.2 | Very high | 95.4 | Very high | 97 Ų | 97 | 32.7 Ų | 32.7 | 45% | 0.449 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.5 | -38.2 | 178.6 | -68.2 | 97.4 | 0 | 0 | 0 | 112.5 | L18 E100 F101 L108 | L18-H104 HydrophobicContact CD1-CB 4.26Å; L18-H104 HydrophobicContact CD2-CB 3.78Å; E100-H104 PolarHBondContact O-N 3.47Å; E100-H104 PolarHBondContact O-ND1 3.08Å; F101-H104 PolarHBondContact O-N 2.64Å; H104-L108 WeakPolarHBondContact O-CB 3.45Å; H104-L108 PolarHBondContact O-N 2.69Å |
| 105 | V | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.6 | -48.3 | 174 | 171.9 | 0 | 0 | 0 | 0 | 110.1 | L18 F101 R102 E107 L108 L109 L134 Y138 | L18-V105 HydrophobicContact CD1-CG2 4.43Å; F101-V105 HydrophobicContact CD2-CG2 3.93Å; F101-V105 HydrophobicContact CE1-CG2 4.16Å; F101-V105 HydrophobicContact CE2-CG2 3.46Å; F101-V105 VanDerWaalsContact CE2-CG2 3.46Å; F101-V105 HydrophobicContact CG-CG2 4.43Å; F101-V105 HydrophobicContact CZ-CG2 3.61Å; F101-V105 VanDerWaalsContact O-CG2 3.28Å; F101-V105 WeakPolarHBondContact O-CG2 3.18Å; F101-V105 PolarHBondContact O-N 3.09Å; R102-V105 PolarHBondContact O-N 3.48Å; V105-E107 VanDerWaalsContact C-N 3.35Å; V105-E107 PolarHBondContact O-N 3.42Å; V105-L108 PolarHBondContact O-N 3.39Å; V105-L108 VanDerWaalsContact O-N 3.15Å; V105-L109 HydrophobicContact CG1-CD1 3.98Å; V105-L109 HydrophobicContact CG1-CG 4.15Å; V105-L109 WeakPolarHBondContact O-CG 3.14Å; V105-L109 PolarHBondContact O-N 3.24Å; V105-L134 HydrophobicContact CG1-CD2 4.35Å; V105-L134 HydrophobicContact CG1-CG 4.31Å; V105-L134 HydrophobicContact CG2-CD1 3.86Å; V105-L134 HydrophobicContact CG2-CD2 4.27Å; V105-L134 HydrophobicContact CG2-CG 4.18Å; V105-Y138 HydrophobicContact CG1-CD1 3.9Å; V105-Y138 HydrophobicContact CG1-CD2 4.44Å; V105-Y138 HydrophobicContact CG1-CE1 4.48Å; V105-Y138 HydrophobicContact CG1-CG 3.88Å |
| 106 | Y | 93.8 | Very high | 94.9 | Very high | 75 Ų | 75 | 39.5 Ų | 39.5 | 29% | 0.294 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.4 | -42.1 | -180 | -170 | -106.4 | 0 | 0 | 0 | 112.1 | R102 D103 L108 L109 N110 E193 H197 | R102-Y106 WeakPolarHBondContact O-CB 3.28Å; R102-Y106 PolarHBondContact O-N 3.13Å; D103-Y106 PolarHBondContact O-N 3.13Å; Y106-L108 VanDerWaalsContact C-N 3.35Å; Y106-L108 PolarHBondContact O-N 2.69Å; Y106-L109 PolarHBondContact O-N 3.44Å; Y106-N110 VanDerWaalsContact CD1-ND2 3.26Å; Y106-N110 WeakPolarHBondContact CD1-ND2 3.46Å; Y106-N110 WeakPolarHBondContact CE1-ND2 3.39Å; Y106-N110 PolarHBondContact O-N 3.46Å; Y106-N110 VanDerWaalsContact O-N 3.08Å; Y106-N110 PolarHBondContact O-ND2 3.31Å; Y106-E193 HydrophobicContact CD2-CG 3.74Å; Y106-E193 WeakPolarHBondContact CD2-OE1 3.3Å; Y106-E193 HydrophobicContact CE2-CG 3.41Å; Y106-E193 VanDerWaalsContact CE2-CG 3.41Å; Y106-H197 AromaticContact CE2-NE2 4Å |
| 107 | E | 95.4 | Very high | 94.7 | Very high | 102 Ų | 102 | 39.9 Ų | 39.9 | 48% | 0.477 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59 | -45 | 173.3 | -171.7 | -165 | 141.8 | 0 | 0 | 111.9 | K14 D103 V105 N110 T111 | K14-E107 IonicContact NZ-OE1 2.94Å; D103-E107 PolarHBondContact O-N 3.32Å; V105-E107 VanDerWaalsContact C-N 3.35Å; V105-E107 PolarHBondContact O-N 3.42Å; E107-N110 PolarHBondContact O-N 2.91Å; E107-T111 PolarHBondContact O-N 3.13Å; E107-T111 PolarHBondContact O-OG1 3.45Å |
| 108 | L | 95.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 179.8 | -179.1 | 60.1 | 0 | 0 | 0 | 112.1 | L11 K14 L15 L18 H104 V105 Y106 N110 T111 I112 L134 | L11-L108 HydrophobicContact CD2-CD1 3.62Å; K14-L108 HydrophobicContact CB-CD1 4.09Å; K14-L108 HydrophobicContact CB-CD2 4.03Å; K14-L108 HydrophobicContact CD-CD1 4.02Å; L15-L108 HydrophobicContact CD2-CD2 3.75Å; L15-L108 HydrophobicContact CG-CD2 4.02Å; L18-L108 HydrophobicContact CD1-CB 4.36Å; L18-L108 HydrophobicContact CD1-CD2 3.75Å; H104-L108 WeakPolarHBondContact O-CB 3.45Å; H104-L108 PolarHBondContact O-N 2.69Å; V105-L108 PolarHBondContact O-N 3.39Å; V105-L108 VanDerWaalsContact O-N 3.15Å; Y106-L108 VanDerWaalsContact C-N 3.35Å; Y106-L108 PolarHBondContact O-N 2.69Å; L108-N110 VanDerWaalsContact C-N 3.34Å; L108-N110 PolarHBondContact O-N 2.76Å; L108-T111 WeakPolarHBondContact O-CB 3.4Å; L108-T111 PolarHBondContact O-N 2.83Å; L108-T111 VanDerWaalsContact O-N 3.13Å; L108-I112 HydrophobicContact CD1-CD1 4.32Å; L108-I112 HydrophobicContact CD1-CG1 4.39Å; L108-I112 HydrophobicContact CG-CD1 4.09Å; L108-I112 WeakPolarHBondContact O-CG1 3.31Å; L108-I112 PolarHBondContact O-N 3.44Å; L108-L134 HydrophobicContact CD2-CD2 3.83Å |
| 109 | L | 95.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 177.2 | -66.9 | -179.7 | 0 | 0 | 0 | 111.4 | V105 Y106 T111 I112 D113 Y131 I135 F194 | V105-L109 HydrophobicContact CG1-CD1 3.98Å; V105-L109 HydrophobicContact CG1-CG 4.15Å; V105-L109 WeakPolarHBondContact O-CG 3.14Å; V105-L109 PolarHBondContact O-N 3.24Å; Y106-L109 PolarHBondContact O-N 3.44Å; L109-T111 VanDerWaalsContact C-N 3.3Å; L109-T111 PolarHBondContact O-N 2.98Å; L109-I112 PolarHBondContact O-N 3.39Å; L109-D113 PolarHBondContact O-N 3.36Å; L109-Y131 HydrophobicContact CD2-CD2 4.27Å; L109-Y131 HydrophobicContact CD2-CE2 3.53Å; L109-I135 HydrophobicContact CD2-CG1 4.23Å; L109-F194 HydrophobicContact CD1-CE1 3.86Å; L109-F194 HydrophobicContact CD1-CZ 3.78Å |
| 110 | N | 94.8 | Very high | 94.6 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 31% | 0.305 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.3 | -38 | 174.4 | -73.3 | -50.1 | 0 | 0 | 0 | 112.4 | Y106 E107 L108 D113 A114 H197 | Y106-N110 VanDerWaalsContact CD1-ND2 3.26Å; Y106-N110 WeakPolarHBondContact CD1-ND2 3.46Å; Y106-N110 WeakPolarHBondContact CE1-ND2 3.39Å; Y106-N110 PolarHBondContact O-N 3.46Å; Y106-N110 VanDerWaalsContact O-N 3.08Å; Y106-N110 PolarHBondContact O-ND2 3.31Å; E107-N110 PolarHBondContact O-N 2.91Å; L108-N110 VanDerWaalsContact C-N 3.34Å; L108-N110 PolarHBondContact O-N 2.76Å; N110-D113 PolarHBondContact O-N 3.28Å; N110-A114 WeakPolarHBondContact O-CB 3.43Å; N110-A114 PolarHBondContact O-N 2.95Å; N110-H197 PolarHBondContact OD1-CE1 3.39Å |
| 111 | T | 93.7 | Very high | 94.6 | Very high | 24 Ų | 24 | 40.4 Ų | 40.4 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 176.7 | -56 | 0 | 0 | 0 | 0 | 111.2 | H9 L11 E107 L108 L109 A114 C115 | H9-T111 HydrophobicContact CB-CG2 4.22Å; L11-T111 HydrophobicContact CD2-CG2 4.15Å; E107-T111 PolarHBondContact O-N 3.13Å; E107-T111 PolarHBondContact O-OG1 3.45Å; L108-T111 WeakPolarHBondContact O-CB 3.4Å; L108-T111 PolarHBondContact O-N 2.83Å; L108-T111 VanDerWaalsContact O-N 3.13Å; L109-T111 VanDerWaalsContact C-N 3.3Å; L109-T111 PolarHBondContact O-N 2.98Å; T111-A114 PolarHBondContact O-N 2.83Å; T111-C115 WeakPolarHBondContact O-CB 3.46Å; T111-C115 PolarHBondContact O-N 3.14Å; T111-C115 PolarHBondContact O-SG 3.37Å |
| 112 | I | 93.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.3 | -44.7 | 176.8 | -72.8 | 172.3 | 0 | 0 | 0 | 110.9 | L11 L108 L109 C115 Q116 C117 F119 Y131 | L11-I112 HydrophobicContact CD2-CG1 4.17Å; L108-I112 HydrophobicContact CD1-CD1 4.32Å; L108-I112 HydrophobicContact CD1-CG1 4.39Å; L108-I112 HydrophobicContact CG-CD1 4.09Å; L108-I112 WeakPolarHBondContact O-CG1 3.31Å; L108-I112 PolarHBondContact O-N 3.44Å; L109-I112 PolarHBondContact O-N 3.39Å; I112-C115 PolarHBondContact O-N 2.99Å; I112-Q116 PolarHBondContact O-N 3.48Å; I112-C117 HydrophobicContact CG2-CB 4.05Å; I112-C117 PolarHBondContact O-N 3.32Å; I112-F119 HydrophobicContact CG2-CE2 3.76Å; I112-F119 HydrophobicContact CG2-CZ 3.68Å; I112-Y131 HydrophobicContact CD1-CD2 3.64Å; I112-Y131 HydrophobicContact CD1-CE2 3.8Å; I112-Y131 HydrophobicContact CG2-CE2 4.05Å |
| 113 | D | 92.3 | Very high | 94.2 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 19% | 0.193 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 176.2 | -83.6 | -2.5 | 0 | 0 | 0 | 112.5 | L109 N110 C115 Q116 H197 | L109-D113 PolarHBondContact O-N 3.36Å; N110-D113 PolarHBondContact O-N 3.28Å; D113-C115 VanDerWaalsContact C-N 3.25Å; D113-C115 PolarHBondContact O-N 3.31Å; D113-Q116 WeakPolarHBondContact O-CG 3.49Å; D113-Q116 PolarHBondContact O-N 2.89Å; D113-H197 IonicContact OD1-ND1 3.58Å; D113-H197 WeakPolarHBondContact OD2-CA 3.33Å; D113-H197 IonicContact OD2-CE1 3.44Å; D113-H197 IonicContact OD2-CG 3.1Å; D113-H197 PolarHBondContact OD2-N 3.36Å; D113-H197 IonicContact OD2-ND1 2.74Å; D113-H197 PolarHBondContact OD2-ND1 3.29Å |
| 114 | A | 91.6 | Very high | 94.2 | Very high | 84 Ų | 84 | 39.3 Ų | 39.3 | 69% | 0.694 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -62.7 | -34.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N110 T111 Q116 | N110-A114 WeakPolarHBondContact O-CB 3.43Å; N110-A114 PolarHBondContact O-N 2.95Å; T111-A114 PolarHBondContact O-N 2.83Å; A114-Q116 VanDerWaalsContact C-N 3.27Å |
| 115 | C | 90.8 | Very high | 94.1 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 14% | 0.142 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -77.5 | -11.9 | 174.4 | -65.1 | 0 | 0 | 0 | 0 | 113.4 | T111 I112 D113 C117 V498 A499 | T111-C115 WeakPolarHBondContact O-CB 3.46Å; T111-C115 PolarHBondContact O-N 3.14Å; T111-C115 PolarHBondContact O-SG 3.37Å; I112-C115 PolarHBondContact O-N 2.99Å; D113-C115 VanDerWaalsContact C-N 3.25Å; D113-C115 PolarHBondContact O-N 3.31Å; C115-C117 VanDerWaalsContact C-N 3.28Å; C115-C117 PolarHBondContact O-N 2.64Å; C115-V498 HydrophobicContact CB-CB 4.4Å; C115-V498 HydrophobicContact CB-CG1 3.95Å; C115-A499 PolarHBondContact O-N 3.42Å; C115-A499 VanDerWaalsContact O-N 3.12Å |
| 116 | Q | 91.4 | Very high | 94.1 | Very high | 126 Ų | 126 | 36 Ų | 36 | 59% | 0.589 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 49.8 | -175.7 | -61.2 | -176.9 | 5.7 | 0 | 0 | 111.9 | I112 D113 A114 A499 | I112-Q116 PolarHBondContact O-N 3.48Å; D113-Q116 WeakPolarHBondContact O-CG 3.49Å; D113-Q116 PolarHBondContact O-N 2.89Å; A114-Q116 VanDerWaalsContact C-N 3.27Å; Q116-A499 HydrophobicContact CB-CB 3.69Å |
| 117 | C | 93 | Very high | 94.3 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 8% | 0.081 | 18% | 0.177 | C | C | . | . | trans | -60.2 | 138.3 | -176.6 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | I112 C115 F119 F127 S497 | I112-C117 HydrophobicContact CG2-CB 4.05Å; I112-C117 PolarHBondContact O-N 3.32Å; C115-C117 VanDerWaalsContact C-N 3.28Å; C115-C117 PolarHBondContact O-N 2.64Å; C117-F119 HydrophobicContact CB-CE2 3.86Å; C117-F119 HydrophobicContact CB-CZ 3.9Å; C117-F127 HydrophobicContact CB-CE1 3.94Å; C117-F127 HydrophobicContact CB-CZ 4.06Å; C117-S497 CarbonylContact C-O 3.56Å; C117-S497 WeakPolarHBondContact CA-O 3.38Å | ||
| 118 | H | 94.4 | Very high | 94.4 | Very high | 77 Ų | 77 | 27.5 Ų | 27.5 | 36% | 0.356 | 15% | 0.154 | S | C | . | . | trans | -86.9 | 133.6 | 171.2 | -179.6 | 71.3 | 0 | 0 | 0 | 110.4 | N124 S497 | H118-N124 PolarHBondContact O-ND2 2.9Å; H118-S497 PolarHBondContact N-O 2.85Å; H118-S497 WeakPolarHBondContact O-CB 3.17Å | ||
| 119 | F | 96 | Very high | 94.4 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | trans | -125.9 | 123.9 | -180 | -66.9 | -71.8 | 0 | 0 | 0 | 110.1 | I112 C117 F127 T128 Y131 A200 A204 | I112-F119 HydrophobicContact CG2-CE2 3.76Å; I112-F119 HydrophobicContact CG2-CZ 3.68Å; C117-F119 HydrophobicContact CB-CE2 3.86Å; C117-F119 HydrophobicContact CB-CZ 3.9Å; F119-F127 AromaticContact CD1-CD1 3.93Å; F119-F127 HydrophobicContact CD1-CD1 3.93Å; F119-F127 HydrophobicContact CD1-CE1 4.05Å; F119-F127 HydrophobicContact CD1-CG 4.47Å; F119-F127 AromaticContact CE1-CD1 3.62Å; F119-F127 HydrophobicContact CE1-CD1 3.62Å; F119-F127 HydrophobicContact CE1-CD2 4.18Å; F119-F127 AromaticContact CE1-CE1 3.43Å; F119-F127 HydrophobicContact CE1-CE1 3.43Å; F119-F127 VanDerWaalsContact CE1-CE1 3.43Å; F119-F127 HydrophobicContact CE1-CE2 4.04Å; F119-F127 HydrophobicContact CE1-CG 4.01Å; F119-F127 AromaticContact CE1-CZ 3.67Å; F119-F127 HydrophobicContact CE1-CZ 3.67Å; F119-F127 AromaticContact CZ-CE1 3.95Å; F119-F127 HydrophobicContact CZ-CE1 3.95Å; F119-F127 HydrophobicContact CZ-CE2 4.47Å; F119-F127 AromaticContact CZ-CZ 3.91Å; F119-F127 HydrophobicContact CZ-CZ 3.91Å; F119-T128 HydrophobicContact CB-CG2 4.25Å; F119-Y131 HydrophobicContact CD1-CD1 4.28Å; F119-Y131 HydrophobicContact CD2-CD1 4.24Å; F119-Y131 HydrophobicContact CD2-CE1 4.21Å; F119-Y131 AromaticContact CE1-CD1 3.95Å; F119-Y131 HydrophobicContact CE1-CD1 3.95Å; F119-Y131 HydrophobicContact CE1-CD2 4.44Å; F119-Y131 AromaticContact CE1-CG 3.81Å; F119-Y131 HydrophobicContact CE1-CG 3.81Å; F119-Y131 AromaticContact CE2-CD1 3.92Å; F119-Y131 HydrophobicContact CE2-CD1 3.92Å; F119-Y131 AromaticContact CE2-CE1 3.84Å; F119-Y131 HydrophobicContact CE2-CE1 3.84Å; F119-Y131 HydrophobicContact CE2-CE2 4.46Å; F119-Y131 HydrophobicContact CE2-CG 4.28Å; F119-Y131 HydrophobicContact CG-CD1 4.41Å; F119-Y131 AromaticContact CZ-CD1 3.76Å; F119-Y131 HydrophobicContact CZ-CD1 3.76Å; F119-Y131 AromaticContact CZ-CD2 3.93Å; F119-Y131 HydrophobicContact CZ-CD2 3.93Å; F119-Y131 HydrophobicContact CZ-CE1 4.08Å; F119-Y131 HydrophobicContact CZ-CE2 4.23Å; F119-Y131 AromaticContact CZ-CG 3.67Å; F119-Y131 HydrophobicContact CZ-CG 3.67Å; F119-A200 HydrophobicContact CE2-CB 4.18Å; F119-A204 HydrophobicContact CB-CB 3.62Å; F119-A204 HydrophobicContact CD2-CB 4.32Å; F119-A204 HydrophobicContact CG-CB 4.05Å | ||
| 120 | D | 95.6 | Very high | 94.5 | Very high | 38 Ų | 38 | 30.6 Ų | 30.6 | 20% | 0.203 | 17% | 0.169 | C | C | . | . | trans | -146.4 | 112.9 | 171.6 | -172.4 | -21.7 | 0 | 0 | 0 | 109.7 | N122 L123 N124 T128 | D120-N122 PolarHBondContact O-N 3.12Å; D120-N122 WeakPolarHBondContact OD1-CB 3.47Å; D120-N122 PolarHBondContact OD1-N 3.1Å; D120-N122 PolarHBondContact OD1-ND2 3.4Å; D120-L123 HydrophobicContact CB-CB 4.24Å; D120-L123 HydrophobicContact CB-CD1 4.22Å; D120-L123 HydrophobicContact CB-CG 4.3Å; D120-L123 PolarHBondContact O-N 3.44Å; D120-N124 PolarHBondContact N-OD1 3.1Å; D120-N124 PolarHBondContact O-N 2.55Å; D120-N124 PolarHBondContact O-OD1 3.44Å; D120-T128 PolarHBondContact N-OG1 2.95Å; D120-T128 VanDerWaalsContact N-OG1 3.14Å | ||
| 121 | I | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -24.9 | -178.3 | -162.7 | 63 | 0 | 0 | 0 | 113.3 | F125 T128 R129 S207 L208 L211 W259 | I121-F125 HydrophobicContact CD1-CD2 3.75Å; I121-F125 HydrophobicContact CD1-CE2 4.03Å; I121-F125 HydrophobicContact CG1-CD2 4.05Å; I121-F125 HydrophobicContact CG1-CE2 4.36Å; I121-T128 HydrophobicContact CB-CG2 4.14Å; I121-T128 HydrophobicContact CD1-CG2 4.04Å; I121-R129 HydrophobicContact CD1-CB 4.3Å; I121-S207 PolarHBondContact N-OG 3.28Å; I121-L208 HydrophobicContact CB-CD2 4.07Å; I121-L208 HydrophobicContact CG1-CD2 3.91Å; I121-L208 HydrophobicContact CG2-CD2 4.01Å; I121-L211 HydrophobicContact CG1-CD2 4.5Å; I121-L211 HydrophobicContact CG2-CD2 4.28Å; I121-W259 HydrophobicContact CD1-CZ3 4.34Å |
| 122 | N | 92.8 | Very high | 94.9 | Very high | 38 Ų | 38 | 26.9 Ų | 26.9 | 20% | 0.203 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -15.4 | -179.3 | -51.3 | -72.9 | 0 | 0 | 0 | 112.5 | D120 S207 T245 | D120-N122 PolarHBondContact O-N 3.12Å; D120-N122 WeakPolarHBondContact OD1-CB 3.47Å; D120-N122 PolarHBondContact OD1-N 3.1Å; D120-N122 PolarHBondContact OD1-ND2 3.4Å; N122-S207 PolarHBondContact ND2-O 3.27Å; N122-T245 HydrophobicContact CB-CG2 3.8Å |
| 123 | L | 93 | Very high | 95.1 | Very high | 23 Ų | 23 | 28.7 Ų | 28.7 | 12% | 0.12 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -71.4 | -177.6 | -61.2 | 177.5 | 0 | 0 | 0 | 111 | D120 F125 L505 H506 P509 A512 N516 | D120-L123 HydrophobicContact CB-CB 4.24Å; D120-L123 HydrophobicContact CB-CD1 4.22Å; D120-L123 HydrophobicContact CB-CG 4.3Å; D120-L123 PolarHBondContact O-N 3.44Å; L123-F125 VanDerWaalsContact C-N 3.34Å; L123-F125 PolarHBondContact O-N 2.99Å; L123-L505 HydrophobicContact CB-CD2 4.46Å; L123-H506 HydrophobicContact CD1-CB 4.22Å; L123-P509 HydrophobicContact CD2-CB 3.84Å; L123-A512 HydrophobicContact CB-CB 4.22Å; L123-A512 HydrophobicContact CD2-CB 3.97Å; L123-N516 PolarHBondContact O-ND2 3.14Å |
| 124 | N | 94.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -96 | 65.2 | 179.8 | 54.8 | 13.3 | 0 | 0 | 0 | 110.2 | H118 D120 D126 F127 T128 Q493 S497 L505 | H118-N124 PolarHBondContact O-ND2 2.9Å; D120-N124 PolarHBondContact N-OD1 3.1Å; D120-N124 PolarHBondContact O-N 2.55Å; D120-N124 PolarHBondContact O-OD1 3.44Å; N124-D126 PolarHBondContact O-N 2.88Å; N124-F127 HydrophobicContact CB-CB 4.25Å; N124-F127 PolarHBondContact O-N 3.27Å; N124-T128 WeakPolarHBondContact O-CB 3.26Å; N124-T128 PolarHBondContact O-N 2.78Å; N124-T128 PolarHBondContact O-OG1 3.38Å; N124-T128 PolarHBondContact OD1-OG1 3.28Å; N124-Q493 VanDerWaalsContact CA-OE1 3.28Å; N124-Q493 HydrophobicContact CB-CB 4.01Å; N124-Q493 HydrophobicContact CB-CG 3.98Å; N124-Q493 PolarHBondContact O-OE1 2.98Å; N124-S497 PolarHBondContact ND2-OG 2.9Å; N124-L505 HydrophobicContact CB-CD2 3.99Å |
| 125 | F | 96 | Very high | 95.6 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -53.8 | -54.6 | -172.7 | 177.3 | -94.5 | 0 | 0 | 0 | 112.9 | I121 L123 F127 T128 R129 A247 L251 | I121-F125 HydrophobicContact CD1-CD2 3.75Å; I121-F125 HydrophobicContact CD1-CE2 4.03Å; I121-F125 HydrophobicContact CG1-CD2 4.05Å; I121-F125 HydrophobicContact CG1-CE2 4.36Å; L123-F125 VanDerWaalsContact C-N 3.34Å; L123-F125 PolarHBondContact O-N 2.99Å; F125-F127 VanDerWaalsContact C-N 3.32Å; F125-F127 PolarHBondContact O-N 3.29Å; F125-T128 PolarHBondContact O-N 3.17Å; F125-R129 WeakPolarHBondContact O-CB 3.48Å; F125-R129 PolarHBondContact O-N 3.34Å; F125-A247 HydrophobicContact CD1-CB 3.71Å; F125-A247 HydrophobicContact CD2-CB 3.97Å; F125-A247 HydrophobicContact CE1-CB 3.49Å; F125-A247 VanDerWaalsContact CE1-CB 3.49Å; F125-A247 HydrophobicContact CE2-CB 3.76Å; F125-A247 HydrophobicContact CG-CB 3.94Å; F125-A247 HydrophobicContact CZ-CB 3.51Å; F125-L251 HydrophobicContact CE2-CD2 4.3Å |
| 126 | D | 96.2 | Very high | 96 | Very high | 23 Ų | 23 | 22.3 Ų | 22.3 | 12% | 0.123 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.4 | -39.9 | -176.2 | -57.5 | -71.3 | 0 | 0 | 0 | 110.9 | N124 S130 F490 Q493 | N124-D126 PolarHBondContact O-N 2.88Å; D126-S130 VanDerWaalsContact O-CB 3.28Å; D126-S130 WeakPolarHBondContact O-CB 3.26Å; D126-S130 PolarHBondContact O-N 3.33Å; D126-S130 PolarHBondContact O-OG 3.4Å; D126-S130 VanDerWaalsContact O-OG 3.1Å; D126-F490 HydrophobicContact CB-CB 4.36Å; D126-F490 HydrophobicContact CB-CD1 4.21Å; D126-F490 HydrophobicContact CB-CD2 3.96Å; D126-F490 HydrophobicContact CB-CE2 4.39Å; D126-F490 HydrophobicContact CB-CG 3.92Å; D126-Q493 VanDerWaalsContact N-OE1 3.14Å; D126-Q493 PolarHBondContact OD2-NE2 3.39Å |
| 127 | F | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.6 | -46.7 | 178.8 | -172.2 | -138.2 | 0 | 0 | 0 | 113.2 | L11 L15 C117 F119 N124 F125 Y131 F490 Q493 A494 | L11-F127 HydrophobicContact CB-CE2 4.23Å; L11-F127 HydrophobicContact CD1-CE2 4.43Å; L11-F127 HydrophobicContact CD1-CZ 4.13Å; L15-F127 HydrophobicContact CD1-CD2 3.48Å; L15-F127 VanDerWaalsContact CD1-CD2 3.48Å; L15-F127 HydrophobicContact CD1-CE2 3.52Å; C117-F127 HydrophobicContact CB-CE1 3.94Å; C117-F127 HydrophobicContact CB-CZ 4.06Å; F119-F127 AromaticContact CD1-CD1 3.93Å; F119-F127 HydrophobicContact CD1-CD1 3.93Å; F119-F127 HydrophobicContact CD1-CE1 4.05Å; F119-F127 HydrophobicContact CD1-CG 4.47Å; F119-F127 AromaticContact CE1-CD1 3.62Å; F119-F127 HydrophobicContact CE1-CD1 3.62Å; F119-F127 HydrophobicContact CE1-CD2 4.18Å; F119-F127 AromaticContact CE1-CE1 3.43Å; F119-F127 HydrophobicContact CE1-CE1 3.43Å; F119-F127 VanDerWaalsContact CE1-CE1 3.43Å; F119-F127 HydrophobicContact CE1-CE2 4.04Å; F119-F127 HydrophobicContact CE1-CG 4.01Å; F119-F127 AromaticContact CE1-CZ 3.67Å; F119-F127 HydrophobicContact CE1-CZ 3.67Å; F119-F127 AromaticContact CZ-CE1 3.95Å; F119-F127 HydrophobicContact CZ-CE1 3.95Å; F119-F127 HydrophobicContact CZ-CE2 4.47Å; F119-F127 AromaticContact CZ-CZ 3.91Å; F119-F127 HydrophobicContact CZ-CZ 3.91Å; N124-F127 HydrophobicContact CB-CB 4.25Å; N124-F127 PolarHBondContact O-N 3.27Å; F125-F127 VanDerWaalsContact C-N 3.32Å; F125-F127 PolarHBondContact O-N 3.29Å; F127-Y131 VanDerWaalsContact O-CB 3.29Å; F127-Y131 WeakPolarHBondContact O-CB 3.11Å; F127-Y131 PolarHBondContact O-N 3.11Å; F127-Y131 VanDerWaalsContact O-N 3.08Å; F127-F490 VanDerWaalsContact CA-CE2 3.42Å; F127-F490 HydrophobicContact CB-CD2 4.23Å; F127-F490 HydrophobicContact CB-CE2 3.82Å; F127-F490 AromaticContact CD2-CE2 3.89Å; F127-F490 HydrophobicContact CD2-CE2 3.89Å; F127-F490 HydrophobicContact CG-CE2 4.32Å; F127-Q493 HydrophobicContact CB-CB 4.17Å; F127-A494 HydrophobicContact CD2-CB 4.49Å; F127-A494 HydrophobicContact CE2-CB 4.34Å |
| 128 | T | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.8 | -44.6 | 177.5 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | F119 D120 I121 N124 F125 Y131 L132 A204 | F119-T128 HydrophobicContact CB-CG2 4.25Å; D120-T128 PolarHBondContact N-OG1 2.95Å; D120-T128 VanDerWaalsContact N-OG1 3.14Å; I121-T128 HydrophobicContact CB-CG2 4.14Å; I121-T128 HydrophobicContact CD1-CG2 4.04Å; N124-T128 WeakPolarHBondContact O-CB 3.26Å; N124-T128 PolarHBondContact O-N 2.78Å; N124-T128 PolarHBondContact O-OG1 3.38Å; N124-T128 PolarHBondContact OD1-OG1 3.28Å; F125-T128 PolarHBondContact O-N 3.17Å; T128-Y131 PolarHBondContact O-N 3.1Å; T128-L132 HydrophobicContact CG2-CD1 4.1Å; T128-L132 WeakPolarHBondContact O-CG 3.35Å; T128-L132 PolarHBondContact O-N 2.96Å; T128-A204 HydrophobicContact CG2-CB 4.2Å |
| 129 | R | 97.3 | Very high | 96.5 | Very high | 47 Ų | 47 | 12.2 Ų | 12.2 | 18% | 0.177 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.1 | -55.4 | 176.7 | 172.7 | 173.5 | -179.5 | 173.2 | 0.8 | 111.7 | I121 F125 Y131 L132 D133 W259 E534 | I121-R129 HydrophobicContact CD1-CB 4.3Å; F125-R129 WeakPolarHBondContact O-CB 3.48Å; F125-R129 PolarHBondContact O-N 3.34Å; R129-Y131 PolarHBondContact O-N 3.3Å; R129-L132 PolarHBondContact O-N 3.47Å; R129-L132 VanDerWaalsContact O-N 3.16Å; R129-D133 WeakPolarHBondContact CG-OD2 3.49Å; R129-D133 IonicContact NE-OD2 3.65Å; R129-D133 WeakPolarHBondContact O-CB 3.47Å; R129-D133 PolarHBondContact O-N 3.37Å; R129-W259 HydrophobicContact CB-CH2 4.12Å; R129-W259 HydrophobicContact CB-CZ2 4.45Å; R129-W259 HydrophobicContact CG-CH2 3.79Å; R129-W259 HydrophobicContact CG-CZ2 3.82Å; R129-E534 IonicContact CZ-OE1 2.97Å; R129-E534 IonicContact NH1-OE1 2.84Å; R129-E534 PolarHBondContact NH1-OE1 3.22Å; R129-E534 IonicContact NH2-OE1 2.71Å; R129-E534 PolarHBondContact NH2-OE1 3.18Å |
| 130 | S | 97.9 | Very high | 96.6 | Very high | 20 Ų | 20 | 11.7 Ų | 11.7 | 14% | 0.14 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.8 | -30.6 | -177.5 | -66.7 | 0 | 0 | 0 | 0 | 112.9 | N19 D126 L134 | N19-S130 PolarHBondContact ND2-O 3.44Å; D126-S130 VanDerWaalsContact O-CB 3.28Å; D126-S130 WeakPolarHBondContact O-CB 3.26Å; D126-S130 PolarHBondContact O-N 3.33Å; D126-S130 PolarHBondContact O-OG 3.4Å; D126-S130 VanDerWaalsContact O-OG 3.1Å; S130-L134 WeakPolarHBondContact O-CB 3.44Å; S130-L134 PolarHBondContact O-N 3.28Å; S130-L134 VanDerWaalsContact O-N 3.09Å |
| 131 | Y | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66.2 | -48.3 | 172.8 | 176.5 | -113.7 | 0 | 0 | 0 | 112 | L109 I112 F119 F127 T128 R129 L134 I135 A200 V201 A204 | L109-Y131 HydrophobicContact CD2-CD2 4.27Å; L109-Y131 HydrophobicContact CD2-CE2 3.53Å; I112-Y131 HydrophobicContact CD1-CD2 3.64Å; I112-Y131 HydrophobicContact CD1-CE2 3.8Å; I112-Y131 HydrophobicContact CG2-CE2 4.05Å; F119-Y131 HydrophobicContact CD1-CD1 4.28Å; F119-Y131 HydrophobicContact CD2-CD1 4.24Å; F119-Y131 HydrophobicContact CD2-CE1 4.21Å; F119-Y131 AromaticContact CE1-CD1 3.95Å; F119-Y131 HydrophobicContact CE1-CD1 3.95Å; F119-Y131 HydrophobicContact CE1-CD2 4.44Å; F119-Y131 AromaticContact CE1-CG 3.81Å; F119-Y131 HydrophobicContact CE1-CG 3.81Å; F119-Y131 AromaticContact CE2-CD1 3.92Å; F119-Y131 HydrophobicContact CE2-CD1 3.92Å; F119-Y131 AromaticContact CE2-CE1 3.84Å; F119-Y131 HydrophobicContact CE2-CE1 3.84Å; F119-Y131 HydrophobicContact CE2-CE2 4.46Å; F119-Y131 HydrophobicContact CE2-CG 4.28Å; F119-Y131 HydrophobicContact CG-CD1 4.41Å; F119-Y131 AromaticContact CZ-CD1 3.76Å; F119-Y131 HydrophobicContact CZ-CD1 3.76Å; F119-Y131 AromaticContact CZ-CD2 3.93Å; F119-Y131 HydrophobicContact CZ-CD2 3.93Å; F119-Y131 HydrophobicContact CZ-CE1 4.08Å; F119-Y131 HydrophobicContact CZ-CE2 4.23Å; F119-Y131 AromaticContact CZ-CG 3.67Å; F119-Y131 HydrophobicContact CZ-CG 3.67Å; F127-Y131 VanDerWaalsContact O-CB 3.29Å; F127-Y131 WeakPolarHBondContact O-CB 3.11Å; F127-Y131 PolarHBondContact O-N 3.11Å; F127-Y131 VanDerWaalsContact O-N 3.08Å; T128-Y131 PolarHBondContact O-N 3.1Å; R129-Y131 PolarHBondContact O-N 3.3Å; Y131-L134 PolarHBondContact O-N 2.9Å; Y131-I135 HydrophobicContact CD1-CD1 4.05Å; Y131-I135 HydrophobicContact CD2-CD1 4.31Å; Y131-I135 HydrophobicContact CE1-CD1 3.6Å; Y131-I135 HydrophobicContact CE2-CD1 3.9Å; Y131-I135 HydrophobicContact CG-CD1 4.39Å; Y131-I135 WeakPolarHBondContact O-CG1 3.17Å; Y131-I135 PolarHBondContact O-N 3.05Å; Y131-A200 WeakPolarHBondContact OH-CB 3.42Å; Y131-V201 HydrophobicContact CE1-CG2 4.26Å; Y131-V201 VanDerWaalsContact OH-CG2 3.31Å; Y131-V201 WeakPolarHBondContact OH-CG2 3.39Å; Y131-A204 HydrophobicContact CD1-CB 4.21Å; Y131-A204 HydrophobicContact CE1-CB 4.31Å |
| 132 | L | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 9.9 Ų | 9.9 | 2% | 0.016 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -67 | -40 | 178.5 | -67.5 | 176.5 | 0 | 0 | 0 | 112.3 | T128 R129 L134 I135 V136 A204 L205 L208 W259 | T128-L132 HydrophobicContact CG2-CD1 4.1Å; T128-L132 WeakPolarHBondContact O-CG 3.35Å; T128-L132 PolarHBondContact O-N 2.96Å; R129-L132 PolarHBondContact O-N 3.47Å; R129-L132 VanDerWaalsContact O-N 3.16Å; L132-L134 VanDerWaalsContact C-N 3.31Å; L132-L134 PolarHBondContact O-N 2.75Å; L132-I135 PolarHBondContact O-N 3.17Å; L132-V136 PolarHBondContact O-N 2.71Å; L132-A204 HydrophobicContact CD2-CB 3.92Å; L132-A204 HydrophobicContact CG-CB 4.32Å; L132-L205 HydrophobicContact CD1-CD2 4.45Å; L132-L205 HydrophobicContact CD2-CD2 3.75Å; L132-L205 HydrophobicContact CD2-CG 4.28Å; L132-L208 HydrophobicContact CD1-CD1 4.01Å; L132-W259 HydrophobicContact CB-CB 4.35Å; L132-W259 HydrophobicContact CB-CD2 3.77Å; L132-W259 HydrophobicContact CB-CE3 4.35Å; L132-W259 HydrophobicContact CB-CG 3.76Å; L132-W259 HydrophobicContact CD1-CB 4.34Å; L132-W259 HydrophobicContact CD1-CD2 3.9Å; L132-W259 HydrophobicContact CD1-CE3 3.65Å; L132-W259 HydrophobicContact CD1-CG 4.23Å; L132-W259 HydrophobicContact CD1-CZ3 4.19Å; L132-W259 HydrophobicContact CG-CD2 4.49Å |
| 133 | D | 98 | Very high | 96.8 | Very high | 39 Ų | 39 | 8.5 Ų | 8.5 | 21% | 0.209 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59.2 | -41.9 | 174.2 | -78.7 | -26.1 | 0 | 0 | 0 | 111.5 | N19 R129 V136 T137 W259 | N19-D133 VanDerWaalsContact OD1-C 3.26Å; N19-D133 WeakPolarHBondContact OD1-CB 3.34Å; R129-D133 WeakPolarHBondContact CG-OD2 3.49Å; R129-D133 IonicContact NE-OD2 3.65Å; R129-D133 WeakPolarHBondContact O-CB 3.47Å; R129-D133 PolarHBondContact O-N 3.37Å; D133-V136 PolarHBondContact O-N 3.43Å; D133-T137 VanDerWaalsContact O-CB 3.24Å; D133-T137 WeakPolarHBondContact O-CB 3.35Å; D133-T137 PolarHBondContact O-N 3.49Å; D133-T137 PolarHBondContact O-OG1 3.23Å; D133-W259 VanDerWaalsContact OD1-CE2 3.29Å; D133-W259 VanDerWaalsContact OD1-CZ2 3.25Å; D133-W259 WeakPolarHBondContact OD1-CZ2 3.35Å; D133-W259 PolarHBondContact OD1-NE1 2.91Å |
| 134 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -66.5 | -42.2 | -179.9 | -174 | 61.8 | 0 | 0 | 0 | 111.3 | L15 L18 N19 F101 V105 L108 S130 Y131 L132 T137 Y138 | L15-L134 HydrophobicContact CD2-CB 4.39Å; L15-L134 HydrophobicContact CD2-CD2 3.78Å; L18-L134 HydrophobicContact CB-CD1 3.82Å; L18-L134 HydrophobicContact CB-CD2 4.31Å; L18-L134 HydrophobicContact CD1-CD2 4.39Å; N19-L134 WeakPolarHBondContact OD1-CA 3.39Å; N19-L134 PolarHBondContact OD1-N 2.82Å; F101-L134 HydrophobicContact CE2-CD1 4.07Å; F101-L134 HydrophobicContact CZ-CD1 4Å; V105-L134 HydrophobicContact CG1-CD2 4.35Å; V105-L134 HydrophobicContact CG1-CG 4.31Å; V105-L134 HydrophobicContact CG2-CD1 3.86Å; V105-L134 HydrophobicContact CG2-CD2 4.27Å; V105-L134 HydrophobicContact CG2-CG 4.18Å; L108-L134 HydrophobicContact CD2-CD2 3.83Å; S130-L134 WeakPolarHBondContact O-CB 3.44Å; S130-L134 PolarHBondContact O-N 3.28Å; S130-L134 VanDerWaalsContact O-N 3.09Å; Y131-L134 PolarHBondContact O-N 2.9Å; L132-L134 VanDerWaalsContact C-N 3.31Å; L132-L134 PolarHBondContact O-N 2.75Å; L134-T137 PolarHBondContact O-N 3.2Å; L134-Y138 WeakPolarHBondContact O-CB 3.45Å; L134-Y138 PolarHBondContact O-N 2.77Å |
| 135 | I | 97.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 7.5 Ų | 7.5 | 1% | 0.01 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 177.7 | -69.2 | 169.7 | 0 | 0 | 0 | 110.9 | L109 Y131 L132 T139 F194 V201 L266 | L109-I135 HydrophobicContact CD2-CG1 4.23Å; Y131-I135 HydrophobicContact CD1-CD1 4.05Å; Y131-I135 HydrophobicContact CD2-CD1 4.31Å; Y131-I135 HydrophobicContact CE1-CD1 3.6Å; Y131-I135 HydrophobicContact CE2-CD1 3.9Å; Y131-I135 HydrophobicContact CG-CD1 4.39Å; Y131-I135 WeakPolarHBondContact O-CG1 3.17Å; Y131-I135 PolarHBondContact O-N 3.05Å; L132-I135 PolarHBondContact O-N 3.17Å; I135-T139 WeakPolarHBondContact O-CB 3.44Å; I135-T139 PolarHBondContact O-N 2.67Å; I135-T139 PolarHBondContact O-OG1 2.78Å; I135-F194 HydrophobicContact CB-CE1 4.49Å; I135-F194 HydrophobicContact CD1-CE1 4.33Å; I135-F194 HydrophobicContact CG1-CE1 4.02Å; I135-F194 HydrophobicContact CG1-CZ 4.42Å; I135-F194 HydrophobicContact CG2-CE1 3.81Å; I135-F194 HydrophobicContact CG2-CZ 3.99Å; I135-V201 HydrophobicContact CD1-CG2 3.68Å; I135-L266 HydrophobicContact CG2-CD1 3.52Å |
| 136 | V | 97.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 8.8 Ų | 8.8 | 2% | 0.024 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66.3 | -43.4 | 178.9 | 164.9 | 0 | 0 | 0 | 0 | 110.9 | L132 D133 T139 S140 I262 | L132-V136 PolarHBondContact O-N 2.71Å; D133-V136 PolarHBondContact O-N 3.43Å; V136-T139 PolarHBondContact O-N 3.27Å; V136-S140 WeakPolarHBondContact O-CB 3.47Å; V136-S140 PolarHBondContact O-N 3.16Å; V136-S140 PolarHBondContact O-OG 3.39Å; V136-I262 HydrophobicContact CB-CD1 4.44Å; V136-I262 HydrophobicContact CG1-CD1 3.8Å; V136-I262 HydrophobicContact CG2-CB 4.05Å; V136-I262 HydrophobicContact CG2-CD1 4.15Å; V136-I262 HydrophobicContact CG2-CG2 4.12Å |
| 137 | T | 97.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 11.4 Ų | 11.4 | 1% | 0.012 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 178.5 | -59 | 0 | 0 | 0 | 0 | 110.8 | G22 Q23 F101 D133 L134 T139 S140 V141 | G22-T137 VanDerWaalsContact C-CG2 3.45Å; Q23-T137 PolarHBondContact NE2-OG1 2.74Å; Q23-T137 VanDerWaalsContact NE2-OG1 3.09Å; F101-T137 HydrophobicContact CZ-CG2 4.43Å; D133-T137 VanDerWaalsContact O-CB 3.24Å; D133-T137 WeakPolarHBondContact O-CB 3.35Å; D133-T137 PolarHBondContact O-N 3.49Å; D133-T137 PolarHBondContact O-OG1 3.23Å; L134-T137 PolarHBondContact O-N 3.2Å; T137-T139 PolarHBondContact O-N 3.29Å; T137-S140 PolarHBondContact O-N 2.93Å; T137-V141 WeakPolarHBondContact O-CG2 3.21Å; T137-V141 PolarHBondContact O-N 3.19Å |
| 138 | Y | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58.2 | -46.9 | 176 | 172.9 | -132.1 | 0 | 0 | 0 | 112.1 | F101 R102 V105 L134 S140 V141 I142 Y183 L190 E193 F194 | F101-Y138 HydrophobicContact CE1-CD2 4.34Å; R102-Y138 HydrophobicContact CB-CE2 3.83Å; R102-Y138 HydrophobicContact CG-CE2 3.51Å; R102-Y138 WeakPolarHBondContact CG-OH 3.49Å; V105-Y138 HydrophobicContact CG1-CD1 3.9Å; V105-Y138 HydrophobicContact CG1-CD2 4.44Å; V105-Y138 HydrophobicContact CG1-CE1 4.48Å; V105-Y138 HydrophobicContact CG1-CG 3.88Å; L134-Y138 WeakPolarHBondContact O-CB 3.45Å; L134-Y138 PolarHBondContact O-N 2.77Å; Y138-S140 PolarHBondContact O-N 3.21Å; Y138-V141 PolarHBondContact O-N 2.85Å; Y138-I142 HydrophobicContact CD2-CG1 3.99Å; Y138-I142 HydrophobicContact CE2-CD1 3.91Å; Y138-I142 HydrophobicContact CE2-CG1 3.51Å; Y138-I142 WeakPolarHBondContact O-CG1 3.24Å; Y138-I142 PolarHBondContact O-N 3.13Å; Y138-I142 VanDerWaalsContact O-N 3.1Å; Y138-Y183 PolarHBondContact OH-OH 3.18Å; Y138-L190 HydrophobicContact CE1-CD2 3.93Å; Y138-E193 PolarHBondContact OH-OE1 3.26Å; Y138-E193 PolarHBondContact OH-OE2 3.16Å; Y138-E193 VanDerWaalsContact OH-OE2 3.12Å; Y138-F194 AromaticContact CD1-CE2 3.86Å; Y138-F194 HydrophobicContact CD1-CE2 3.86Å; Y138-F194 AromaticContact CD1-CZ 3.87Å; Y138-F194 HydrophobicContact CD1-CZ 3.87Å; Y138-F194 AromaticContact CE1-CE2 3.68Å; Y138-F194 HydrophobicContact CE1-CE2 3.68Å; Y138-F194 HydrophobicContact CE1-CZ 4.1Å |
| 139 | T | 96.5 | Very high | 96 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 176.1 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | I135 V136 T137 V141 I142 L143 L190 I262 L266 | I135-T139 WeakPolarHBondContact O-CB 3.44Å; I135-T139 PolarHBondContact O-N 2.67Å; I135-T139 PolarHBondContact O-OG1 2.78Å; V136-T139 PolarHBondContact O-N 3.27Å; T137-T139 PolarHBondContact O-N 3.29Å; T139-V141 VanDerWaalsContact C-N 3.33Å; T139-V141 PolarHBondContact O-N 3.43Å; T139-I142 PolarHBondContact O-N 3.22Å; T139-L143 HydrophobicContact CG2-CD1 3.87Å; T139-L143 HydrophobicContact CG2-CG 4.21Å; T139-L143 WeakPolarHBondContact O-CB 3.5Å; T139-L143 VanDerWaalsContact O-CG 3.28Å; T139-L143 WeakPolarHBondContact O-CG 3.21Å; T139-L143 PolarHBondContact O-N 3.09Å; T139-L190 HydrophobicContact CG2-CD1 4.05Å; T139-I262 HydrophobicContact CG2-CG2 3.71Å; T139-L266 HydrophobicContact CG2-CD2 4.44Å; T139-L266 WeakPolarHBondContact OG1-CD1 3.11Å |
| 140 | S | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.4 | -43.2 | 177.7 | -74.1 | 0 | 0 | 0 | 0 | 111.9 | V136 T137 Y138 L143 L144 | V136-S140 WeakPolarHBondContact O-CB 3.47Å; V136-S140 PolarHBondContact O-N 3.16Å; V136-S140 PolarHBondContact O-OG 3.39Å; T137-S140 PolarHBondContact O-N 2.93Å; Y138-S140 PolarHBondContact O-N 3.21Å; S140-L143 PolarHBondContact O-N 2.97Å; S140-L144 WeakPolarHBondContact O-CB 3.5Å; S140-L144 PolarHBondContact O-N 2.98Å |
| 141 | V | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.6 | -48.7 | 177.6 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | V25 L26 V98 F101 T137 Y138 T139 L144 L145 | V25-V141 HydrophobicContact CG1-CG1 3.92Å; V25-V141 HydrophobicContact CG1-CG2 4.22Å; L26-V141 HydrophobicContact CB-CG2 3.81Å; L26-V141 HydrophobicContact CD1-CB 4.49Å; L26-V141 HydrophobicContact CD1-CG2 3.87Å; L26-V141 HydrophobicContact CG-CG2 4.39Å; V98-V141 HydrophobicContact CB-CG1 4.42Å; V98-V141 HydrophobicContact CG1-CG1 3.71Å; V98-V141 HydrophobicContact CG2-CG1 4Å; F101-V141 HydrophobicContact CE1-CG2 4.15Å; T137-V141 WeakPolarHBondContact O-CG2 3.21Å; T137-V141 PolarHBondContact O-N 3.19Å; Y138-V141 PolarHBondContact O-N 2.85Å; T139-V141 VanDerWaalsContact C-N 3.33Å; T139-V141 PolarHBondContact O-N 3.43Å; V141-L144 PolarHBondContact O-N 3.2Å; V141-L145 WeakPolarHBondContact O-CB 3.32Å; V141-L145 PolarHBondContact O-N 3.38Å |
| 142 | I | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67 | -41.2 | -179.2 | -63.9 | -58.8 | 0 | 0 | 0 | 111.8 | V98 Y138 T139 L144 L145 S146 Y183 P186 L190 | V98-I142 HydrophobicContact CG1-CD1 4.43Å; Y138-I142 HydrophobicContact CD2-CG1 3.99Å; Y138-I142 HydrophobicContact CE2-CD1 3.91Å; Y138-I142 HydrophobicContact CE2-CG1 3.51Å; Y138-I142 WeakPolarHBondContact O-CG1 3.24Å; Y138-I142 PolarHBondContact O-N 3.13Å; Y138-I142 VanDerWaalsContact O-N 3.1Å; T139-I142 PolarHBondContact O-N 3.22Å; I142-L144 VanDerWaalsContact C-N 3.33Å; I142-L144 PolarHBondContact O-N 2.84Å; I142-L145 PolarHBondContact O-N 2.88Å; I142-S146 PolarHBondContact O-N 3.35Å; I142-S146 VanDerWaalsContact O-N 3.11Å; I142-Y183 HydrophobicContact CD1-CD2 4.38Å; I142-Y183 HydrophobicContact CD1-CE2 4.2Å; I142-Y183 HydrophobicContact CG2-CD1 3.4Å; I142-Y183 VanDerWaalsContact CG2-CD1 3.4Å; I142-Y183 HydrophobicContact CG2-CE1 3.84Å; I142-Y183 HydrophobicContact CG2-CG 3.83Å; I142-P186 HydrophobicContact CG2-CB 3.87Å; I142-L190 HydrophobicContact CB-CD1 4.2Å; I142-L190 HydrophobicContact CB-CD2 4.49Å; I142-L190 HydrophobicContact CG1-CD2 4.4Å; I142-L190 HydrophobicContact CG2-CD1 3.86Å; I142-L190 HydrophobicContact CG2-CD2 4.33Å; I142-L190 HydrophobicContact CG2-CG 4.18Å |
| 143 | L | 95.1 | Very high | 95 | Very high | 8 Ų | 8 | 22.5 Ų | 22.5 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63 | -41.4 | 174.9 | -71 | 178.4 | 0 | 0 | 0 | 111.4 | T139 S140 S146 R147 P186 L187 L293 L299 | T139-L143 HydrophobicContact CG2-CD1 3.87Å; T139-L143 HydrophobicContact CG2-CG 4.21Å; T139-L143 WeakPolarHBondContact O-CB 3.5Å; T139-L143 VanDerWaalsContact O-CG 3.28Å; T139-L143 WeakPolarHBondContact O-CG 3.21Å; T139-L143 PolarHBondContact O-N 3.09Å; S140-L143 PolarHBondContact O-N 2.97Å; L143-S146 PolarHBondContact O-N 3.37Å; L143-S146 PolarHBondContact O-OG 3.15Å; L143-R147 WeakPolarHBondContact O-CG 3.44Å; L143-R147 PolarHBondContact O-N 2.96Å; L143-P186 HydrophobicContact CD2-CB 4.25Å; L143-P186 HydrophobicContact CD2-CG 4.06Å; L143-L187 HydrophobicContact CD1-CD2 4.47Å; L143-L187 HydrophobicContact CD2-CD2 3.76Å; L143-L187 HydrophobicContact CD2-CG 3.85Å; L143-L293 HydrophobicContact CB-CD1 4.32Å; L143-L293 HydrophobicContact CD1-CD1 4.39Å; L143-L293 HydrophobicContact CD1-CD2 4.17Å; L143-L299 HydrophobicContact CD1-CD1 4.2Å |
| 144 | L | 94.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.4 | -41 | 179.3 | -165.9 | 64 | 0 | 0 | 0 | 112 | L26 M29 K33 S140 V141 I142 S146 R147 I148 I294 D297 | L26-L144 HydrophobicContact CD1-CB 4.36Å; L26-L144 HydrophobicContact CD1-CD2 3.68Å; M29-L144 HydrophobicContact CB-CD2 3.82Å; M29-L144 HydrophobicContact CB-CG 4.3Å; K33-L144 HydrophobicContact CD-CD1 3.49Å; K33-L144 VanDerWaalsContact CD-CD1 3.49Å; K33-L144 HydrophobicContact CD-CG 4.37Å; S140-L144 WeakPolarHBondContact O-CB 3.5Å; S140-L144 PolarHBondContact O-N 2.98Å; V141-L144 PolarHBondContact O-N 3.2Å; I142-L144 VanDerWaalsContact C-N 3.33Å; I142-L144 PolarHBondContact O-N 2.84Å; L144-S146 VanDerWaalsContact C-N 3.27Å; L144-S146 PolarHBondContact O-N 2.94Å; L144-R147 WeakPolarHBondContact O-CB 3.41Å; L144-R147 PolarHBondContact O-N 2.81Å; L144-I148 PolarHBondContact O-N 3.33Å; L144-I294 HydrophobicContact CD1-CG2 4.45Å; L144-I294 HydrophobicContact CD2-CG2 3.83Å; L144-D297 HydrophobicContact CD1-CB 4.42Å |
| 145 | L | 94.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -53.6 | -45.8 | 172 | 176.3 | 66.2 | 0 | 0 | 0 | 111.1 | M29 F95 V98 V141 I142 R147 I148 R151 M179 | M29-L145 HydrophobicContact SD-CD1 4.41Å; F95-L145 HydrophobicContact CD1-CD1 3.58Å; F95-L145 HydrophobicContact CE1-CD1 3.58Å; V98-L145 HydrophobicContact CG1-CD2 4.16Å; V141-L145 WeakPolarHBondContact O-CB 3.32Å; V141-L145 PolarHBondContact O-N 3.38Å; I142-L145 PolarHBondContact O-N 2.88Å; L145-R147 PolarHBondContact O-N 2.59Å; L145-I148 WeakPolarHBondContact O-CB 3.37Å; L145-I148 PolarHBondContact O-N 3.14Å; L145-I148 VanDerWaalsContact O-N 3.15Å; L145-R151 WeakPolarHBondContact O-CD 3.21Å; L145-M179 HydrophobicContact CD2-CE 3.87Å |
| 146 | S | 92.2 | Very high | 94.5 | Very high | 31 Ų | 31 | 20.7 Ų | 20.7 | 22% | 0.217 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.9 | -27 | 179.9 | 79.2 | 0 | 0 | 0 | 0 | 113.8 | I142 L143 L144 I148 R151 | I142-S146 PolarHBondContact O-N 3.35Å; I142-S146 VanDerWaalsContact O-N 3.11Å; L143-S146 PolarHBondContact O-N 3.37Å; L143-S146 PolarHBondContact O-OG 3.15Å; L144-S146 VanDerWaalsContact C-N 3.27Å; L144-S146 PolarHBondContact O-N 2.94Å; S146-I148 VanDerWaalsContact C-N 3.27Å; S146-I148 PolarHBondContact O-N 2.94Å; S146-R151 PolarHBondContact O-NH1 3.03Å; S146-R151 VanDerWaalsContact O-NH1 3.1Å |
| 147 | R | 93.4 | Very high | 94.2 | Very high | 77 Ų | 77 | 20.5 Ų | 20.5 | 29% | 0.291 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -7.2 | 177.7 | -68.3 | 175.5 | -177.5 | -162.7 | -0 | 113.1 | K33 L143 L144 L145 E149 D297 V298 | K33-R147 HydrophobicContact CD-CB 3.97Å; L143-R147 WeakPolarHBondContact O-CG 3.44Å; L143-R147 PolarHBondContact O-N 2.96Å; L144-R147 WeakPolarHBondContact O-CB 3.41Å; L144-R147 PolarHBondContact O-N 2.81Å; L145-R147 PolarHBondContact O-N 2.59Å; R147-E149 PolarHBondContact O-N 3.08Å; R147-D297 IonicContact NH1-OD1 3.86Å; R147-D297 PolarHBondContact NH1-OD1 3.45Å; R147-V298 PolarHBondContact NH1-O 3Å; R147-V298 PolarHBondContact NH2-O 3.09Å |
| 148 | I | 93.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.015 | 10% | 0.096 | C | C | . | . | trans | -83.3 | 101.7 | 170.7 | -57.7 | 170.1 | 0 | 0 | 0 | 107.6 | M29 I32 K33 F95 L144 L145 S146 D150 R151 L154 | M29-I148 HydrophobicContact SD-CD1 4.17Å; I32-I148 HydrophobicContact CB-CD1 4.43Å; I32-I148 HydrophobicContact CG2-CD1 4.08Å; K33-I148 HydrophobicContact CB-CD1 4.4Å; K33-I148 HydrophobicContact CB-CG1 3.81Å; K33-I148 HydrophobicContact CG-CG1 4.32Å; F95-I148 HydrophobicContact CE1-CD1 3.93Å; F95-I148 HydrophobicContact CZ-CD1 4.27Å; L144-I148 PolarHBondContact O-N 3.33Å; L145-I148 WeakPolarHBondContact O-CB 3.37Å; L145-I148 PolarHBondContact O-N 3.14Å; L145-I148 VanDerWaalsContact O-N 3.15Å; S146-I148 VanDerWaalsContact C-N 3.27Å; S146-I148 PolarHBondContact O-N 2.94Å; I148-D150 PolarHBondContact O-N 3.18Å; I148-R151 HydrophobicContact CB-CB 4.12Å; I148-R151 HydrophobicContact CG2-CB 3.94Å; I148-R151 WeakPolarHBondContact O-CB 3.43Å; I148-R151 WeakPolarHBondContact O-CD 3.38Å; I148-R151 WeakPolarHBondContact O-CG 3.48Å; I148-R151 PolarHBondContact O-N 3.4Å; I148-R151 PolarHBondContact O-NH1 2.89Å; I148-L154 HydrophobicContact CG2-CD1 4.35Å | ||
| 149 | E | 89.8 | Confident | 94 | Very high | 171 Ų | 171 | 21.3 Ų | 21.3 | 80% | 0.799 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -44.1 | -176.8 | -63.7 | -174.1 | 173.8 | 0 | 0 | 111.9 | R147 R151 | R147-E149 PolarHBondContact O-N 3.08Å; E149-R151 VanDerWaalsContact C-N 3.27Å; E149-R151 PolarHBondContact O-N 2.61Å |
| 150 | D | 90.6 | Very high | 93.8 | Very high | 25 Ų | 25 | 21.2 Ų | 21.2 | 13% | 0.134 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 7.2 | -176.5 | -62.1 | -57.3 | 0 | 0 | 0 | 114.2 | K42 I148 R152 I153 L154 | K42-D150 WeakPolarHBondContact CE-OD2 3.45Å; K42-D150 IonicContact NZ-OD1 3.89Å; K42-D150 IonicContact NZ-OD2 3.46Å; K42-D150 PolarHBondContact NZ-OD2 3.39Å; I148-D150 PolarHBondContact O-N 3.18Å; D150-R152 VanDerWaalsContact C-N 3.29Å; D150-R152 PolarHBondContact O-N 3.41Å; D150-R152 VanDerWaalsContact O-N 3.14Å; D150-I153 WeakPolarHBondContact O-CA 3.36Å; D150-I153 WeakPolarHBondContact O-CB 3.47Å; D150-I153 PolarHBondContact O-N 2.99Å; D150-L154 HydrophobicContact CB-CD1 4.44Å; D150-L154 HydrophobicContact CB-CG 4.29Å; D150-L154 WeakPolarHBondContact O-CG 3.35Å; D150-L154 PolarHBondContact O-N 3.34Å |
| 151 | R | 93.1 | Very high | 93.6 | Very high | 26 Ų | 26 | 21.2 Ų | 21.2 | 10% | 0.098 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -53 | -42.3 | -172.2 | 68 | -171.7 | 178.2 | -83.9 | 1 | 113.6 | F95 L145 S146 I148 E149 I153 L154 I155 V180 D184 | F95-R151 HydrophobicContact CE1-CB 4.46Å; F95-R151 HydrophobicContact CZ-CB 4.39Å; L145-R151 WeakPolarHBondContact O-CD 3.21Å; S146-R151 PolarHBondContact O-NH1 3.03Å; S146-R151 VanDerWaalsContact O-NH1 3.1Å; I148-R151 HydrophobicContact CB-CB 4.12Å; I148-R151 HydrophobicContact CG2-CB 3.94Å; I148-R151 WeakPolarHBondContact O-CB 3.43Å; I148-R151 WeakPolarHBondContact O-CD 3.38Å; I148-R151 WeakPolarHBondContact O-CG 3.48Å; I148-R151 PolarHBondContact O-N 3.4Å; I148-R151 PolarHBondContact O-NH1 2.89Å; E149-R151 VanDerWaalsContact C-N 3.27Å; E149-R151 PolarHBondContact O-N 2.61Å; R151-I153 VanDerWaalsContact C-N 3.32Å; R151-I153 PolarHBondContact O-N 3.42Å; R151-L154 PolarHBondContact O-N 3.26Å; R151-I155 WeakPolarHBondContact O-CB 3.42Å; R151-I155 WeakPolarHBondContact O-CD1 3.47Å; R151-I155 WeakPolarHBondContact O-CG1 3.43Å; R151-I155 PolarHBondContact O-N 3.26Å; R151-V180 HydrophobicContact CG-CG1 4.16Å; R151-D184 IonicContact NH2-OD1 2.65Å; R151-D184 PolarHBondContact NH2-OD1 2.92Å; R151-D184 VanDerWaalsContact NH2-OD1 3.1Å |
| 152 | R | 94.3 | Very high | 93.4 | Very high | 62 Ų | 62 | 22.4 Ų | 22.4 | 23% | 0.234 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.9 | -37.4 | 178.6 | -63.3 | -176.5 | -170.8 | 174.7 | 5.4 | 111.7 | F62 D150 G156 V180 D184 | F62-R152 HydrophobicContact CB-CB 4.26Å; F62-R152 HydrophobicContact CD1-CB 4.06Å; F62-R152 HydrophobicContact CD1-CG 3.85Å; F62-R152 HydrophobicContact CD2-CB 4.05Å; F62-R152 WeakPolarHBondContact CD2-O 3.36Å; F62-R152 HydrophobicContact CE1-CB 4.42Å; F62-R152 HydrophobicContact CE1-CG 4.11Å; F62-R152 HydrophobicContact CE2-CB 4.41Å; F62-R152 WeakPolarHBondContact CE2-O 3.44Å; F62-R152 HydrophobicContact CG-CB 3.85Å; F62-R152 HydrophobicContact CG-CG 4.16Å; D150-R152 VanDerWaalsContact C-N 3.29Å; D150-R152 PolarHBondContact O-N 3.41Å; D150-R152 VanDerWaalsContact O-N 3.14Å; R152-G156 WeakPolarHBondContact O-CA 3.46Å; R152-G156 PolarHBondContact O-N 3.47Å; R152-V180 HydrophobicContact CG-CG1 4Å; R152-D184 IonicContact CZ-OD1 2.65Å; R152-D184 IonicContact CZ-OD2 3.64Å; R152-D184 IonicContact NE-OD1 3.26Å; R152-D184 IonicContact NH2-OD1 3.66Å; R152-D184 PolarHBondContact NH2-OD1 2.95Å; R152-D184 IonicContact NH2-OD2 2.91Å; R152-D184 PolarHBondContact NH2-OD2 2.85Å |
| 153 | I | 92.9 | Very high | 93.3 | Very high | 17 Ų | 17 | 24.1 Ų | 24.1 | 9% | 0.087 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70 | -48.2 | 179.2 | -63.9 | 172.6 | 0 | 0 | 0 | 109.5 | L46 L55 N59 D150 R151 I155 G156 M157 | L46-I153 HydrophobicContact CD2-CG2 3.67Å; L55-I153 HydrophobicContact CB-CD1 4.49Å; L55-I153 HydrophobicContact CB-CG2 4.45Å; L55-I153 HydrophobicContact CD2-CG2 3.56Å; L55-I153 HydrophobicContact CG-CG2 4.5Å; N59-I153 HydrophobicContact CB-CD1 4.19Å; N59-I153 HydrophobicContact CB-CG1 3.84Å; D150-I153 WeakPolarHBondContact O-CA 3.36Å; D150-I153 WeakPolarHBondContact O-CB 3.47Å; D150-I153 PolarHBondContact O-N 2.99Å; R151-I153 VanDerWaalsContact C-N 3.32Å; R151-I153 PolarHBondContact O-N 3.42Å; I153-I155 PolarHBondContact O-N 3.02Å; I153-G156 PolarHBondContact O-N 3.23Å; I153-M157 HydrophobicContact CG2-CE 4.41Å; I153-M157 WeakPolarHBondContact O-CB 3.22Å; I153-M157 PolarHBondContact O-N 3.36Å |
| 154 | L | 93.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.1 | -49 | 178.8 | -64.3 | 170.6 | 0 | 0 | 0 | 111.5 | I32 L46 L88 Y91 F95 I148 D150 R151 Y158 | I32-L154 HydrophobicContact CG2-CD1 4.35Å; L46-L154 HydrophobicContact CD1-CD2 3.95Å; L88-L154 HydrophobicContact CD2-CD2 3.62Å; Y91-L154 HydrophobicContact CD2-CD1 4.47Å; Y91-L154 HydrophobicContact CD2-CD2 4.36Å; F95-L154 HydrophobicContact CE2-CB 4.09Å; F95-L154 HydrophobicContact CE2-CD1 4.14Å; F95-L154 HydrophobicContact CZ-CD1 4.12Å; I148-L154 HydrophobicContact CG2-CD1 4.35Å; D150-L154 HydrophobicContact CB-CD1 4.44Å; D150-L154 HydrophobicContact CB-CG 4.29Å; D150-L154 WeakPolarHBondContact O-CG 3.35Å; D150-L154 PolarHBondContact O-N 3.34Å; R151-L154 PolarHBondContact O-N 3.26Å; L154-Y158 PolarHBondContact O-N 2.93Å |
| 155 | I | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.6 | -47.2 | -179.4 | -63.5 | 166.8 | 0 | 0 | 0 | 110.9 | F62 Y92 F95 R151 I153 N159 F173 L176 V180 | F62-I155 HydrophobicContact CE2-CB 4.03Å; F62-I155 HydrophobicContact CE2-CG2 3.92Å; F62-I155 HydrophobicContact CZ-CB 4.28Å; F62-I155 HydrophobicContact CZ-CG2 4.03Å; Y92-I155 HydrophobicContact CD2-CG2 4.23Å; Y92-I155 HydrophobicContact CE2-CG2 3.91Å; F95-I155 HydrophobicContact CB-CD1 4.11Å; F95-I155 HydrophobicContact CB-CG1 4.26Å; F95-I155 HydrophobicContact CD1-CD1 4.28Å; F95-I155 HydrophobicContact CD2-CD1 3.92Å; F95-I155 HydrophobicContact CD2-CG1 3.49Å; F95-I155 VanDerWaalsContact CD2-CG1 3.49Å; F95-I155 HydrophobicContact CE2-CD1 4.41Å; F95-I155 HydrophobicContact CE2-CG1 3.96Å; F95-I155 HydrophobicContact CG-CD1 3.86Å; F95-I155 HydrophobicContact CG-CG1 3.94Å; R151-I155 WeakPolarHBondContact O-CB 3.42Å; R151-I155 WeakPolarHBondContact O-CD1 3.47Å; R151-I155 WeakPolarHBondContact O-CG1 3.43Å; R151-I155 PolarHBondContact O-N 3.26Å; I153-I155 PolarHBondContact O-N 3.02Å; I155-N159 PolarHBondContact O-N 3.46Å; I155-F173 HydrophobicContact CG2-CD2 3.95Å; I155-F173 HydrophobicContact CG2-CE2 3.93Å; I155-L176 HydrophobicContact CD1-CD1 4.47Å; I155-L176 HydrophobicContact CD1-CD2 4.17Å; I155-L176 HydrophobicContact CD1-CG 4.2Å; I155-L176 HydrophobicContact CG1-CD2 4.26Å; I155-L176 HydrophobicContact CG2-CD2 3.76Å; I155-L176 HydrophobicContact CG2-CG 4.15Å; I155-V180 HydrophobicContact CD1-CG2 3.72Å |
| 156 | G | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.4 | -41.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R152 I153 N159 C160 | R152-G156 WeakPolarHBondContact O-CA 3.46Å; R152-G156 PolarHBondContact O-N 3.47Å; I153-G156 PolarHBondContact O-N 3.23Å; G156-N159 PolarHBondContact O-N 3.32Å; G156-C160 PolarHBondContact O-N 3.15Å; G156-C160 PolarHBondContact O-SG 3.05Å |
| 157 | M | 92.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70 | -39.1 | -179.2 | -172 | 161 | 59.9 | 0 | 0 | 112.5 | F45 L46 M51 L55 I58 V77 I84 L88 I153 C160 A161 | F45-M157 HydrophobicContact CD2-CE 3.26Å; F45-M157 HydrophobicContact CD2-SD 4.18Å; F45-M157 HydrophobicContact CE2-CE 3.14Å; F45-M157 HydrophobicContact CG-CE 4.39Å; F45-M157 HydrophobicContact CZ-CE 4.19Å; L46-M157 HydrophobicContact CD2-CE 3.81Å; M51-M157 HydrophobicContact CE-SD 4Å; L55-M157 HydrophobicContact CD2-CE 4.21Å; L55-M157 HydrophobicContact CD2-SD 3.68Å; I58-M157 HydrophobicContact CD1-CB 4.02Å; I58-M157 HydrophobicContact CD1-CG 4.26Å; V77-M157 HydrophobicContact CG2-CG 4.48Å; I84-M157 HydrophobicContact CD1-CG 4.35Å; I84-M157 HydrophobicContact CD1-SD 4.49Å; I84-M157 HydrophobicContact CG2-CG 3.82Å; L88-M157 HydrophobicContact CD1-CB 4.29Å; L88-M157 HydrophobicContact CD1-CE 3.82Å; L88-M157 HydrophobicContact CD1-CG 4.41Å; I153-M157 HydrophobicContact CG2-CE 4.41Å; I153-M157 WeakPolarHBondContact O-CB 3.22Å; I153-M157 PolarHBondContact O-N 3.36Å; M157-C160 PolarHBondContact O-N 2.66Å; M157-A161 WeakPolarHBondContact O-CB 3.34Å; M157-A161 PolarHBondContact O-N 3.19Å |
| 158 | Y | 94.8 | Very high | 92.3 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.3 | -50.3 | 171 | 175.7 | -92.4 | 0 | 0 | 0 | 110.9 | I85 L88 Y92 L154 C160 A161 H162 | I85-Y158 HydrophobicContact CG2-CE2 4.27Å; L88-Y158 HydrophobicContact CB-CD2 3.94Å; L88-Y158 HydrophobicContact CB-CG 4.49Å; Y92-Y158 AromaticContact CD1-CD1 3.63Å; Y92-Y158 HydrophobicContact CD1-CD1 3.63Å; Y92-Y158 AromaticContact CD1-CE1 3.33Å; Y92-Y158 HydrophobicContact CD1-CE1 3.33Å; Y92-Y158 HydrophobicContact CD1-CG 4.46Å; Y92-Y158 AromaticContact CD1-CZ 3.97Å; Y92-Y158 AromaticContact CD2-CD1 3.3Å; Y92-Y158 HydrophobicContact CD2-CD1 3.3Å; Y92-Y158 AromaticContact CD2-CE1 3.95Å; Y92-Y158 HydrophobicContact CD2-CE1 3.95Å; Y92-Y158 AromaticContact CD2-CG 3.86Å; Y92-Y158 HydrophobicContact CD2-CG 3.86Å; Y92-Y158 HydrophobicContact CE1-CD1 4Å; Y92-Y158 AromaticContact CE1-CE1 3.65Å; Y92-Y158 HydrophobicContact CE1-CE1 3.65Å; Y92-Y158 AromaticContact CE2-CD1 3.7Å; Y92-Y158 HydrophobicContact CE2-CD1 3.7Å; Y92-Y158 HydrophobicContact CE2-CE1 4.22Å; Y92-Y158 AromaticContact CG-CD1 3.25Å; Y92-Y158 HydrophobicContact CG-CD1 3.25Å; Y92-Y158 HydrophobicContact CG-CD2 4.43Å; Y92-Y158 AromaticContact CG-CE1 3.49Å; Y92-Y158 HydrophobicContact CG-CE1 3.49Å; Y92-Y158 VanDerWaalsContact CG-CE1 3.49Å; Y92-Y158 AromaticContact CG-CG 3.77Å; Y92-Y158 HydrophobicContact CG-CG 3.77Å; L154-Y158 PolarHBondContact O-N 2.93Å; Y158-C160 PolarHBondContact O-N 3.31Å; Y158-A161 PolarHBondContact O-N 2.84Å; Y158-H162 HydrophobicContact CE1-CB 4.43Å; Y158-H162 VanDerWaalsContact O-CB 3.32Å; Y158-H162 WeakPolarHBondContact O-CB 3.45Å; Y158-H162 PolarHBondContact O-N 3.32Å |
| 159 | N | 94.2 | Very high | 92 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | -179.4 | -178.1 | 69.7 | 0 | 0 | 0 | 112.5 | I155 G156 H162 E163 G169 D170 F173 | I155-N159 PolarHBondContact O-N 3.46Å; G156-N159 PolarHBondContact O-N 3.32Å; N159-H162 PolarHBondContact O-N 3.4Å; N159-E163 WeakPolarHBondContact O-CB 3.32Å; N159-E163 PolarHBondContact O-N 3.32Å; N159-G169 WeakPolarHBondContact OD1-CA 3.42Å; N159-D170 PolarHBondContact OD1-N 3.01Å; N159-F173 HydrophobicContact CB-CB 4.36Å; N159-F173 HydrophobicContact CB-CD1 4.27Å; N159-F173 HydrophobicContact CB-CD2 3.31Å; N159-F173 HydrophobicContact CB-CE1 4.44Å; N159-F173 HydrophobicContact CB-CE2 3.51Å; N159-F173 HydrophobicContact CB-CG 3.72Å; N159-F173 HydrophobicContact CB-CZ 4.09Å; N159-F173 WeakPolarHBondContact ND2-CD1 3.41Å; N159-F173 WeakPolarHBondContact ND2-CE1 3.45Å; N159-F173 WeakPolarHBondContact OD1-CG 3.47Å |
| 160 | C | 92.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 174.4 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | I65 V67 V77 G156 M157 Y158 M164 | I65-C160 VanDerWaalsContact CG2-SG 3.55Å; V67-C160 HydrophobicContact CG2-CB 4.27Å; V77-C160 HydrophobicContact CG1-CB 4.34Å; G156-C160 PolarHBondContact O-N 3.15Å; G156-C160 PolarHBondContact O-SG 3.05Å; M157-C160 PolarHBondContact O-N 2.66Å; Y158-C160 PolarHBondContact O-N 3.31Å; C160-M164 WeakPolarHBondContact O-CB 3.14Å; C160-M164 WeakPolarHBondContact O-CG 3.4Å; C160-M164 PolarHBondContact O-N 3.05Å |
| 161 | A | 92.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65 | -41 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V77 K81 I84 I85 M157 Y158 M164 L165 | V77-A161 HydrophobicContact CG1-CB 4.41Å; K81-A161 HydrophobicContact CB-CB 4.06Å; I84-A161 HydrophobicContact CB-CB 4.12Å; I84-A161 HydrophobicContact CG2-CB 3.77Å; I85-A161 HydrophobicContact CD1-CB 4.27Å; I85-A161 HydrophobicContact CG1-CB 3.85Å; M157-A161 WeakPolarHBondContact O-CB 3.34Å; M157-A161 PolarHBondContact O-N 3.19Å; Y158-A161 PolarHBondContact O-N 2.84Å; A161-M164 PolarHBondContact O-N 2.98Å; A161-L165 WeakPolarHBondContact O-CB 3.5Å; A161-L165 PolarHBondContact O-N 3.41Å |
| 162 | H | 92.9 | Very high | 92.3 | Very high | 24 Ų | 24 | 34.7 Ų | 34.7 | 11% | 0.111 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -48.5 | 176.5 | -174.3 | -79.3 | 0 | 0 | 0 | 111.7 | Y158 N159 M164 L165 H166 H168 | Y158-H162 HydrophobicContact CE1-CB 4.43Å; Y158-H162 VanDerWaalsContact O-CB 3.32Å; Y158-H162 WeakPolarHBondContact O-CB 3.45Å; Y158-H162 PolarHBondContact O-N 3.32Å; N159-H162 PolarHBondContact O-N 3.4Å; H162-M164 VanDerWaalsContact C-N 3.32Å; H162-M164 PolarHBondContact O-N 2.61Å; H162-L165 PolarHBondContact O-N 2.85Å; H162-L165 VanDerWaalsContact O-N 3.13Å; H162-H166 AromaticContact CD2-CD2 3.52Å; H162-H166 AromaticContact CE1-CD2 3.67Å; H162-H166 AromaticContact CG-CD2 3.81Å; H162-H166 AromaticContact ND1-CD2 3.9Å; H162-H166 AromaticContact NE2-CD2 3.42Å; H162-H166 PolarHBondContact NE2-CD2 3.3Å; H162-H166 PolarHBondContact O-CD2 3.18Å; H162-H166 PolarHBondContact O-N 3.15Å; H162-H168 PolarHBondContact ND1-O 2.98Å |
| 163 | E | 92.8 | Very high | 92.3 | Very high | 37 Ų | 37 | 32.7 Ų | 32.7 | 17% | 0.173 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -38.3 | 176.9 | -173.4 | 177.9 | 165.9 | 0 | 0 | 112.1 | V67 R68 N159 L165 G167 H168 | V67-E163 HydrophobicContact CG1-CB 4.48Å; V67-E163 HydrophobicContact CG1-CG 4.42Å; V67-E163 WeakPolarHBondContact CG2-OE2 3.2Å; R68-E163 IonicContact NE-OE1 3.78Å; N159-E163 WeakPolarHBondContact O-CB 3.32Å; N159-E163 PolarHBondContact O-N 3.32Å; E163-L165 VanDerWaalsContact C-N 3.27Å; E163-L165 PolarHBondContact O-N 2.86Å; E163-G167 WeakPolarHBondContact O-CA 3.31Å; E163-G167 PolarHBondContact O-N 2.86Å; E163-H168 WeakPolarHBondContact CA-O 3.21Å |
| 164 | M | 91.6 | Very high | 92.3 | Very high | 30 Ų | 30 | 35.4 Ų | 35.4 | 15% | 0.148 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.3 | -18.7 | 176.1 | -72 | -178.6 | -179.2 | 0 | 0 | 114.5 | V67 L74 V77 H78 K81 C160 A161 H162 | V67-M164 HydrophobicContact CG1-CE 3.67Å; V67-M164 HydrophobicContact CG1-CG 3.58Å; V67-M164 HydrophobicContact CG1-SD 4.48Å; L74-M164 HydrophobicContact CB-CE 3.67Å; L74-M164 HydrophobicContact CD1-CE 4.05Å; L74-M164 HydrophobicContact CG-CE 4.47Å; V77-M164 HydrophobicContact CG1-SD 4.44Å; H78-M164 VanDerWaalsContact CA-SD 3.58Å; H78-M164 HydrophobicContact CB-CE 4.3Å; H78-M164 HydrophobicContact CB-SD 3.67Å; H78-M164 PolarHBondContact ND1-SD 3.03Å; H78-M164 VanDerWaalsContact ND1-SD 3.39Å; K81-M164 HydrophobicContact CD-CB 3.94Å; K81-M164 PolarHBondContact NZ-O 3.43Å; C160-M164 WeakPolarHBondContact O-CB 3.14Å; C160-M164 WeakPolarHBondContact O-CG 3.4Å; C160-M164 PolarHBondContact O-N 3.05Å; A161-M164 PolarHBondContact O-N 2.98Å; H162-M164 VanDerWaalsContact C-N 3.32Å; H162-M164 PolarHBondContact O-N 2.61Å |
| 165 | L | 90.8 | Very high | 92.3 | Very high | 84 Ų | 84 | 42.1 Ų | 42.1 | 44% | 0.44 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -96.7 | -42.6 | 178.7 | -168.9 | 67.2 | 0 | 0 | 0 | 111.8 | I85 A161 H162 E163 | I85-L165 HydrophobicContact CD1-CB 3.98Å; I85-L165 HydrophobicContact CD1-CD2 3.55Å; I85-L165 HydrophobicContact CD1-CG 4.4Å; A161-L165 WeakPolarHBondContact O-CB 3.5Å; A161-L165 PolarHBondContact O-N 3.41Å; H162-L165 PolarHBondContact O-N 2.85Å; H162-L165 VanDerWaalsContact O-N 3.13Å; E163-L165 VanDerWaalsContact C-N 3.27Å; E163-L165 PolarHBondContact O-N 2.86Å |
| 166 | H | 90.8 | Very high | 92.3 | Very high | 102 Ų | 102 | 42.1 Ų | 42.1 | 47% | 0.472 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -105.1 | -10 | -172.4 | -60.5 | -69.7 | 0 | 0 | 0 | 114.2 | H162 H168 | H162-H166 AromaticContact CD2-CD2 3.52Å; H162-H166 AromaticContact CE1-CD2 3.67Å; H162-H166 AromaticContact CG-CD2 3.81Å; H162-H166 AromaticContact ND1-CD2 3.9Å; H162-H166 AromaticContact NE2-CD2 3.42Å; H162-H166 PolarHBondContact NE2-CD2 3.3Å; H162-H166 PolarHBondContact O-CD2 3.18Å; H162-H166 PolarHBondContact O-N 3.15Å; H166-H168 VanDerWaalsContact C-N 3.3Å; H166-H168 PolarHBondContact O-N 2.91Å |
| 167 | G | 86.9 | Confident | 92.3 | Very high | 47 Ų | 47 | 42.1 Ų | 42.1 | 49% | 0.485 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 84.4 | -4.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R68 E163 | R68-G167 PolarHBondContact NH2-O 3.39Å; E163-G167 WeakPolarHBondContact O-CA 3.31Å; E163-G167 PolarHBondContact O-N 2.86Å |
| 168 | H | 89.3 | Confident | 92.4 | Very high | 111 Ų | 111 | 46.6 Ų | 46.6 | 51% | 0.514 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -141.7 | 152.1 | 174.3 | 65.1 | 77.1 | 0 | 0 | 0 | 111.4 | H162 E163 H166 | H162-H168 PolarHBondContact ND1-O 2.98Å; E163-H168 WeakPolarHBondContact CA-O 3.21Å; H166-H168 VanDerWaalsContact C-N 3.3Å; H166-H168 PolarHBondContact O-N 2.91Å |
| 169 | G | 87.9 | Confident | 92.4 | Very high | 26 Ų | 26 | 46.7 Ų | 46.7 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | trans | -65.5 | 164.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N159 | N159-G169 WeakPolarHBondContact OD1-CA 3.42Š| ||
| 170 | D | 92.7 | Very high | 92.4 | Very high | 25 Ų | 25 | 46.5 Ų | 46.5 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | trans | -69.3 | 137.5 | 174.7 | 178.2 | -90.8 | 0 | 0 | 0 | 110.7 | Y92 N159 S172 F173 | Y92-D170 HydrophobicContact CE1-CB 4.26Å; Y92-D170 WeakPolarHBondContact CE1-OD1 3.39Å; Y92-D170 VanDerWaalsContact OH-CG 3.25Å; Y92-D170 PolarHBondContact OH-OD1 3.26Å; N159-D170 PolarHBondContact OD1-N 3.01Å; D170-S172 PolarHBondContact O-N 3.36Å; D170-S172 WeakPolarHBondContact OD1-CA 3.22Å; D170-S172 WeakPolarHBondContact OD1-CB 3.14Å; D170-S172 PolarHBondContact OD1-N 3.13Å; D170-F173 HydrophobicContact CB-CB 4.33Å; D170-F173 WeakPolarHBondContact O-CB 3.4Å; D170-F173 PolarHBondContact O-N 3.18Å; D170-F173 VanDerWaalsContact O-N 3.15Å; D170-F173 PolarHBondContact OD1-N 2.79Å | ||
| 171 | P | 92.6 | Very high | 92.4 | Very high | 112 Ų | 112 | 49 Ų | 49 | 73% | 0.727 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -31.8 | -176.7 | -24.8 | 34.4 | 0 | 0 | 0 | 114.3 | ||
| 172 | S | 94.1 | Very high | 92.3 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 22% | 0.217 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -14.8 | -177.6 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | D170 A174 R175 L176 | D170-S172 PolarHBondContact O-N 3.36Å; D170-S172 WeakPolarHBondContact OD1-CA 3.22Å; D170-S172 WeakPolarHBondContact OD1-CB 3.14Å; D170-S172 PolarHBondContact OD1-N 3.13Å; S172-A174 PolarHBondContact O-N 3.4Å; S172-R175 PolarHBondContact O-N 3Å; S172-L176 VanDerWaalsContact O-CB 3.29Å; S172-L176 WeakPolarHBondContact O-CB 3.36Å; S172-L176 PolarHBondContact O-N 3.06Å |
| 173 | F | 94.4 | Very high | 92.3 | Very high | 20 Ų | 20 | 51.7 Ų | 51.7 | 9% | 0.088 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -42.7 | -171.8 | 176.5 | -104.8 | 0 | 0 | 0 | 113.3 | F62 P63 I65 Y92 I155 N159 D170 R175 L176 G177 | F62-F173 HydrophobicContact CE2-CE2 4.01Å; F62-F173 HydrophobicContact CE2-CZ 4.29Å; P63-F173 HydrophobicContact CB-CZ 4.45Å; P63-F173 VanDerWaalsContact O-CE1 3.26Å; P63-F173 WeakPolarHBondContact O-CE1 3.5Å; P63-F173 WeakPolarHBondContact O-CZ 3.34Å; I65-F173 HydrophobicContact CD1-CZ 4.29Å; Y92-F173 HydrophobicContact CE2-CD2 4.45Å; Y92-F173 VanDerWaalsContact OH-CA 3.26Å; Y92-F173 WeakPolarHBondContact OH-CA 3.46Å; Y92-F173 WeakPolarHBondContact OH-CB 3.21Å; Y92-F173 PolarHBondContact OH-N 3.34Å; Y92-F173 VanDerWaalsContact OH-N 3.13Å; I155-F173 HydrophobicContact CG2-CD2 3.95Å; I155-F173 HydrophobicContact CG2-CE2 3.93Å; N159-F173 HydrophobicContact CB-CB 4.36Å; N159-F173 HydrophobicContact CB-CD1 4.27Å; N159-F173 HydrophobicContact CB-CD2 3.31Å; N159-F173 HydrophobicContact CB-CE1 4.44Å; N159-F173 HydrophobicContact CB-CE2 3.51Å; N159-F173 HydrophobicContact CB-CG 3.72Å; N159-F173 HydrophobicContact CB-CZ 4.09Å; N159-F173 WeakPolarHBondContact ND2-CD1 3.41Å; N159-F173 WeakPolarHBondContact ND2-CE1 3.45Å; N159-F173 WeakPolarHBondContact OD1-CG 3.47Å; D170-F173 HydrophobicContact CB-CB 4.33Å; D170-F173 WeakPolarHBondContact O-CB 3.4Å; D170-F173 PolarHBondContact O-N 3.18Å; D170-F173 VanDerWaalsContact O-N 3.15Å; D170-F173 PolarHBondContact OD1-N 2.79Å; F173-R175 PolarHBondContact O-N 3.28Å; F173-L176 PolarHBondContact O-N 2.95Å; F173-G177 PolarHBondContact O-N 2.97Å |
| 174 | A | 92.4 | Very high | 92 | Very high | 74 Ų | 74 | 52.2 Ų | 52.2 | 61% | 0.612 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S172 Q178 | S172-A174 PolarHBondContact O-N 3.4Å; A174-Q178 WeakPolarHBondContact O-CB 3.45Å; A174-Q178 PolarHBondContact O-N 3.46Å |
| 175 | R | 94.9 | Very high | 91.9 | Very high | 144 Ų | 144 | 57.7 Ų | 57.7 | 54% | 0.543 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70.3 | -43.8 | 178 | -66 | -179.8 | 65.9 | -145.1 | -5.5 | 111.3 | M99 D103 S172 F173 Q178 M179 | M99-R175 HydrophobicContact CE-CB 4.35Å; M99-R175 HydrophobicContact SD-CB 3.58Å; M99-R175 VanDerWaalsContact SD-CB 3.58Å; D103-R175 IonicContact OD2-CZ 3.71Å; D103-R175 IonicContact OD2-NH2 2.64Å; D103-R175 PolarHBondContact OD2-NH2 3.34Å; S172-R175 PolarHBondContact O-N 3Å; F173-R175 PolarHBondContact O-N 3.28Å; R175-Q178 PolarHBondContact O-N 2.69Å; R175-M179 PolarHBondContact O-N 3.43Å |
| 176 | L | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 179.3 | 177.6 | 59 | 0 | 0 | 0 | 111.6 | Y92 F95 V96 M99 I155 S172 F173 Q178 M179 V180 | Y92-L176 HydrophobicContact CD2-CD2 4.3Å; Y92-L176 HydrophobicContact CE2-CD2 3.8Å; F95-L176 HydrophobicContact CB-CD1 4.09Å; F95-L176 HydrophobicContact CB-CD2 3.89Å; F95-L176 WeakPolarHBondContact O-CD1 3.4Å; V96-L176 HydrophobicContact CG2-CD2 4.08Å; M99-L176 HydrophobicContact CB-CD1 4.26Å; M99-L176 HydrophobicContact SD-CB 4.07Å; M99-L176 PolarHBondContact SD-N 3.12Å; M99-L176 VanDerWaalsContact SD-N 3.43Å; I155-L176 HydrophobicContact CD1-CD1 4.47Å; I155-L176 HydrophobicContact CD1-CD2 4.17Å; I155-L176 HydrophobicContact CD1-CG 4.2Å; I155-L176 HydrophobicContact CG1-CD2 4.26Å; I155-L176 HydrophobicContact CG2-CD2 3.76Å; I155-L176 HydrophobicContact CG2-CG 4.15Å; S172-L176 VanDerWaalsContact O-CB 3.29Å; S172-L176 WeakPolarHBondContact O-CB 3.36Å; S172-L176 PolarHBondContact O-N 3.06Å; F173-L176 PolarHBondContact O-N 2.95Å; L176-Q178 VanDerWaalsContact C-N 3.32Å; L176-Q178 PolarHBondContact O-N 3.35Å; L176-M179 HydrophobicContact CD1-CE 3.79Å; L176-M179 PolarHBondContact O-N 2.84Å; L176-V180 HydrophobicContact CD1-CG2 4.39Å; L176-V180 WeakPolarHBondContact O-CG2 3.48Å; L176-V180 PolarHBondContact O-N 3.23Å |
| 177 | G | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F173 V180 L181 | F173-G177 PolarHBondContact O-N 2.97Å; G177-V180 PolarHBondContact O-N 3.08Å; G177-L181 PolarHBondContact O-N 3.41Å |
| 178 | Q | 93.3 | Very high | 92.2 | Very high | 94 Ų | 94 | 54.1 Ų | 54.1 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64 | -46 | 174.5 | -177.9 | 58.2 | 30.6 | 0 | 0 | 111.8 | A174 R175 L176 V180 L181 E182 | A174-Q178 WeakPolarHBondContact O-CB 3.45Å; A174-Q178 PolarHBondContact O-N 3.46Å; R175-Q178 PolarHBondContact O-N 2.69Å; L176-Q178 VanDerWaalsContact C-N 3.32Å; L176-Q178 PolarHBondContact O-N 3.35Å; Q178-V180 VanDerWaalsContact C-N 3.33Å; Q178-V180 PolarHBondContact O-N 3.43Å; Q178-L181 PolarHBondContact O-N 3.22Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.39Å; Q178-E182 PolarHBondContact NE2-OE1 3.09Å; Q178-E182 WeakPolarHBondContact O-CG 3.38Å; Q178-E182 PolarHBondContact O-N 2.87Å |
| 179 | M | 94.6 | Very high | 92.4 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 7% | 0.069 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57 | -45.9 | 175.8 | -175.6 | -169.2 | 78.9 | 0 | 0 | 111.7 | V98 M99 L145 R175 L176 L181 E182 Y183 | V98-M179 HydrophobicContact CG1-CE 4.08Å; M99-M179 VanDerWaalsContact CA-SD 3.5Å; M99-M179 HydrophobicContact CB-CE 4Å; M99-M179 HydrophobicContact CB-SD 3.63Å; M99-M179 HydrophobicContact CG-SD 3.84Å; L145-M179 HydrophobicContact CD2-CE 3.87Å; R175-M179 PolarHBondContact O-N 3.43Å; L176-M179 HydrophobicContact CD1-CE 3.79Å; L176-M179 PolarHBondContact O-N 2.84Å; M179-L181 VanDerWaalsContact C-N 3.27Å; M179-L181 PolarHBondContact O-N 3.2Å; M179-E182 PolarHBondContact O-N 2.91Å; M179-Y183 HydrophobicContact CG-CD2 3.76Å; M179-Y183 HydrophobicContact CG-CE2 3.74Å; M179-Y183 VanDerWaalsContact O-CD2 3.29Å; M179-Y183 WeakPolarHBondContact O-CD2 3.33Å; M179-Y183 PolarHBondContact O-N 3.29Å; M179-Y183 VanDerWaalsContact O-N 3.12Å |
| 180 | V | 94.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -36.5 | 180 | 170.1 | 0 | 0 | 0 | 0 | 112 | F62 R151 R152 I155 L176 G177 Q178 D184 | F62-V180 HydrophobicContact CE1-CB 4.11Å; F62-V180 HydrophobicContact CE1-CG1 3.97Å; F62-V180 HydrophobicContact CZ-CB 4.46Å; F62-V180 HydrophobicContact CZ-CG1 4.45Å; R151-V180 HydrophobicContact CG-CG1 4.16Å; R152-V180 HydrophobicContact CG-CG1 4Å; I155-V180 HydrophobicContact CD1-CG2 3.72Å; L176-V180 HydrophobicContact CD1-CG2 4.39Å; L176-V180 WeakPolarHBondContact O-CG2 3.48Å; L176-V180 PolarHBondContact O-N 3.23Å; G177-V180 PolarHBondContact O-N 3.08Å; Q178-V180 VanDerWaalsContact C-N 3.33Å; Q178-V180 PolarHBondContact O-N 3.43Å; V180-D184 PolarHBondContact O-N 3.34Å |
| 181 | L | 92.6 | Very high | 92.7 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 28% | 0.283 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.5 | -41.7 | 174.4 | -70.6 | -175.8 | 0 | 0 | 0 | 112.6 | F62 P63 G177 Q178 M179 Y183 D184 | F62-L181 HydrophobicContact CD1-CD2 4.42Å; P63-L181 HydrophobicContact CG-CD1 3.78Å; P63-L181 HydrophobicContact CG-CG 4.37Å; G177-L181 PolarHBondContact O-N 3.41Å; Q178-L181 PolarHBondContact O-N 3.22Å; M179-L181 VanDerWaalsContact C-N 3.27Å; M179-L181 PolarHBondContact O-N 3.2Å; L181-Y183 PolarHBondContact O-N 3.43Å; L181-D184 WeakPolarHBondContact O-CB 3.45Å; L181-D184 PolarHBondContact O-N 3.34Å; L181-D184 VanDerWaalsContact O-N 3.13Å |
| 182 | E | 92.1 | Very high | 92.6 | Very high | 75 Ų | 75 | 49.9 Ų | 49.9 | 35% | 0.35 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.9 | -35.2 | 179.6 | -73.4 | -176.4 | -154.5 | 0 | 0 | 112.3 | Q178 M179 K189 | Q178-E182 WeakPolarHBondContact CG-OE1 3.39Å; Q178-E182 PolarHBondContact NE2-OE1 3.09Å; Q178-E182 WeakPolarHBondContact O-CG 3.38Å; Q178-E182 PolarHBondContact O-N 2.87Å; M179-E182 PolarHBondContact O-N 2.91Å; E182-K189 WeakPolarHBondContact O-CB 3.31Å; E182-K189 VanDerWaalsContact OE2-CE 3.27Å; E182-K189 WeakPolarHBondContact OE2-CE 3.25Å; E182-K189 IonicContact OE2-NZ 3.49Å; E182-K189 PolarHBondContact OE2-NZ 3.01Å |
| 183 | Y | 91.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 22.3 | 176.5 | -63.5 | -75.2 | 0 | 0 | 0 | 114.1 | R102 Y138 I142 M179 L181 H185 P186 K189 L190 E193 | R102-Y183 PolarHBondContact NE-OH 3.13Å; Y138-Y183 PolarHBondContact OH-OH 3.18Å; I142-Y183 HydrophobicContact CD1-CD2 4.38Å; I142-Y183 HydrophobicContact CD1-CE2 4.2Å; I142-Y183 HydrophobicContact CG2-CD1 3.4Å; I142-Y183 VanDerWaalsContact CG2-CD1 3.4Å; I142-Y183 HydrophobicContact CG2-CE1 3.84Å; I142-Y183 HydrophobicContact CG2-CG 3.83Å; M179-Y183 HydrophobicContact CG-CD2 3.76Å; M179-Y183 HydrophobicContact CG-CE2 3.74Å; M179-Y183 VanDerWaalsContact O-CD2 3.29Å; M179-Y183 WeakPolarHBondContact O-CD2 3.33Å; M179-Y183 PolarHBondContact O-N 3.29Å; M179-Y183 VanDerWaalsContact O-N 3.12Å; L181-Y183 PolarHBondContact O-N 3.43Å; Y183-H185 PolarHBondContact O-N 2.68Å; Y183-P186 WeakPolarHBondContact O-CD 3.34Å; Y183-K189 HydrophobicContact CD1-CB 3.92Å; Y183-K189 HydrophobicContact CD1-CG 3.64Å; Y183-K189 HydrophobicContact CE1-CB 4.14Å; Y183-K189 HydrophobicContact CE1-CG 3.49Å; Y183-K189 VanDerWaalsContact CE1-CG 3.49Å; Y183-K189 HydrophobicContact CG-CG 4.39Å; Y183-L190 HydrophobicContact CD1-CG 4.48Å; Y183-L190 HydrophobicContact CE1-CD2 4Å; Y183-L190 HydrophobicContact CE1-CG 4.1Å; Y183-E193 PolarHBondContact OH-OE1 3.01Å; Y183-E193 PolarHBondContact OH-OE2 3.27Å |
| 184 | D | 86.9 | Confident | 92.5 | Very high | 49 Ų | 49 | 48.1 Ų | 48.1 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -32.1 | 169.5 | -87.4 | -22.3 | 0 | 0 | 0 | 112.4 | R151 R152 V180 L181 P186 | R151-D184 IonicContact NH2-OD1 2.65Å; R151-D184 PolarHBondContact NH2-OD1 2.92Å; R151-D184 VanDerWaalsContact NH2-OD1 3.1Å; R152-D184 IonicContact CZ-OD1 2.65Å; R152-D184 IonicContact CZ-OD2 3.64Å; R152-D184 IonicContact NE-OD1 3.26Å; R152-D184 IonicContact NH2-OD1 3.66Å; R152-D184 PolarHBondContact NH2-OD1 2.95Å; R152-D184 IonicContact NH2-OD2 2.91Å; R152-D184 PolarHBondContact NH2-OD2 2.85Å; V180-D184 PolarHBondContact O-N 3.34Å; L181-D184 WeakPolarHBondContact O-CB 3.45Å; L181-D184 PolarHBondContact O-N 3.34Å; L181-D184 VanDerWaalsContact O-N 3.13Å; D184-P186 WeakPolarHBondContact O-CD 3.44Å |
| 185 | H | 89.8 | Confident | 92.5 | Very high | 144 Ų | 144 | 46.3 Ų | 46.3 | 67% | 0.667 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -116.8 | 77.1 | 168.1 | -64 | -54.1 | 0 | 0 | 0 | 109.1 | Y183 L187 K188 K189 | Y183-H185 PolarHBondContact O-N 2.68Å; H185-L187 PolarHBondContact O-N 3.47Å; H185-K188 HydrophobicContact CB-CB 4.26Å; H185-K188 PolarHBondContact O-N 3.32Å; H185-K188 VanDerWaalsContact O-N 3.16Å; H185-K189 PolarHBondContact O-N 3.15Å; H185-K189 VanDerWaalsContact O-N 3.15Å |
| 186 | P | 92.1 | Very high | 92.4 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 12% | 0.117 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | -162.2 | 25.4 | -37.3 | 0 | 0 | 0 | 112.5 | I142 L143 Y183 D184 K188 K189 L190 | I142-P186 HydrophobicContact CG2-CB 3.87Å; L143-P186 HydrophobicContact CD2-CB 4.25Å; L143-P186 HydrophobicContact CD2-CG 4.06Å; Y183-P186 WeakPolarHBondContact O-CD 3.34Å; D184-P186 WeakPolarHBondContact O-CD 3.44Å; P186-K188 PolarHBondContact O-N 3.24Å; P186-K189 PolarHBondContact O-N 3.26Å; P186-L190 VanDerWaalsContact O-CB 3.3Å; P186-L190 WeakPolarHBondContact O-CB 3.29Å; P186-L190 WeakPolarHBondContact O-CD1 3.47Å; P186-L190 WeakPolarHBondContact O-CG 3.34Å; P186-L190 PolarHBondContact O-N 3.4Å |
| 187 | L | 91.4 | Very high | 92.4 | Very high | 28 Ų | 28 | 43.3 Ų | 43.3 | 15% | 0.147 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -41.5 | -179.3 | -71.7 | 171.9 | 0 | 0 | 0 | 112.6 | L143 H185 L190 T191 L265 V304 L308 | L143-L187 HydrophobicContact CD1-CD2 4.47Å; L143-L187 HydrophobicContact CD2-CD2 3.76Å; L143-L187 HydrophobicContact CD2-CG 3.85Å; H185-L187 PolarHBondContact O-N 3.47Å; L187-L190 PolarHBondContact O-N 3.31Å; L187-T191 WeakPolarHBondContact O-CG2 3.48Å; L187-T191 PolarHBondContact O-N 2.94Å; L187-T191 PolarHBondContact O-OG1 2.69Å; L187-L265 HydrophobicContact CD2-CD2 3.66Å; L187-L265 HydrophobicContact CD2-CG 4.48Å; L187-V304 HydrophobicContact CD1-CG1 3.29Å; L187-L308 HydrophobicContact CB-CD1 4.27Å; L187-L308 HydrophobicContact CB-CD2 4.48Å |
| 188 | K | 90.8 | Very high | 92.3 | Very high | 112 Ų | 112 | 45.2 Ų | 45.2 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.2 | -45.8 | 179 | -175.3 | -178.3 | 174.5 | -171.9 | 0 | 110.9 | H185 P186 T191 E192 | H185-K188 HydrophobicContact CB-CB 4.26Å; H185-K188 PolarHBondContact O-N 3.32Å; H185-K188 VanDerWaalsContact O-N 3.16Å; P186-K188 PolarHBondContact O-N 3.24Å; K188-T191 PolarHBondContact O-N 2.98Å; K188-T191 PolarHBondContact O-OG1 2.85Å; K188-E192 WeakPolarHBondContact CE-OE1 3.48Å; K188-E192 WeakPolarHBondContact O-CG 3.4Å; K188-E192 PolarHBondContact O-N 3.47Å; K188-E192 VanDerWaalsContact O-N 3.16Å |
| 189 | K | 93.7 | Very high | 92.2 | Very high | 54 Ų | 54 | 48.5 Ų | 48.5 | 24% | 0.235 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 176.8 | 178.3 | 60.3 | 175.9 | -170.7 | 0 | 111.7 | E182 Y183 H185 P186 T191 E192 E193 | E182-K189 WeakPolarHBondContact O-CB 3.31Å; E182-K189 VanDerWaalsContact OE2-CE 3.27Å; E182-K189 WeakPolarHBondContact OE2-CE 3.25Å; E182-K189 IonicContact OE2-NZ 3.49Å; E182-K189 PolarHBondContact OE2-NZ 3.01Å; Y183-K189 HydrophobicContact CD1-CB 3.92Å; Y183-K189 HydrophobicContact CD1-CG 3.64Å; Y183-K189 HydrophobicContact CE1-CB 4.14Å; Y183-K189 HydrophobicContact CE1-CG 3.49Å; Y183-K189 VanDerWaalsContact CE1-CG 3.49Å; Y183-K189 HydrophobicContact CG-CG 4.39Å; H185-K189 PolarHBondContact O-N 3.15Å; H185-K189 VanDerWaalsContact O-N 3.15Å; P186-K189 PolarHBondContact O-N 3.26Å; K189-T191 PolarHBondContact O-N 2.99Å; K189-E192 WeakPolarHBondContact O-CB 3.48Å; K189-E192 PolarHBondContact O-N 2.63Å; K189-E193 WeakPolarHBondContact O-CB 3.34Å; K189-E193 PolarHBondContact O-N 3.16Å |
| 190 | L | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 177.7 | -74.7 | 167.8 | 0 | 0 | 0 | 111.8 | Y138 T139 I142 Y183 P186 L187 E192 E193 F194 L266 | Y138-L190 HydrophobicContact CE1-CD2 3.93Å; T139-L190 HydrophobicContact CG2-CD1 4.05Å; I142-L190 HydrophobicContact CB-CD1 4.2Å; I142-L190 HydrophobicContact CB-CD2 4.49Å; I142-L190 HydrophobicContact CG1-CD2 4.4Å; I142-L190 HydrophobicContact CG2-CD1 3.86Å; I142-L190 HydrophobicContact CG2-CD2 4.33Å; I142-L190 HydrophobicContact CG2-CG 4.18Å; Y183-L190 HydrophobicContact CD1-CG 4.48Å; Y183-L190 HydrophobicContact CE1-CD2 4Å; Y183-L190 HydrophobicContact CE1-CG 4.1Å; P186-L190 VanDerWaalsContact O-CB 3.3Å; P186-L190 WeakPolarHBondContact O-CB 3.29Å; P186-L190 WeakPolarHBondContact O-CD1 3.47Å; P186-L190 WeakPolarHBondContact O-CG 3.34Å; P186-L190 PolarHBondContact O-N 3.4Å; L187-L190 PolarHBondContact O-N 3.31Å; L190-E192 VanDerWaalsContact C-N 3.31Å; L190-E192 PolarHBondContact O-N 2.86Å; L190-E193 PolarHBondContact O-N 3.14Å; L190-F194 HydrophobicContact CD2-CE2 4.27Å; L190-F194 WeakPolarHBondContact O-CB 3.42Å; L190-F194 VanDerWaalsContact O-CD2 3.31Å; L190-F194 WeakPolarHBondContact O-CD2 3.42Å; L190-F194 PolarHBondContact O-N 2.95Å; L190-L266 HydrophobicContact CB-CD2 3.69Å |
| 191 | T | 92.5 | Very high | 92.2 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.5 | -34.8 | 176.2 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | L187 K188 K189 G195 L265 L308 | L187-T191 WeakPolarHBondContact O-CG2 3.48Å; L187-T191 PolarHBondContact O-N 2.94Å; L187-T191 PolarHBondContact O-OG1 2.69Å; K188-T191 PolarHBondContact O-N 2.98Å; K188-T191 PolarHBondContact O-OG1 2.85Å; K189-T191 PolarHBondContact O-N 2.99Å; T191-G195 PolarHBondContact O-N 3.07Å; T191-L265 WeakPolarHBondContact CG2-O 3.42Å; T191-L308 HydrophobicContact CG2-CD2 4.09Å |
| 192 | E | 90.8 | Very high | 92.3 | Very high | 119 Ų | 119 | 46.8 Ų | 46.8 | 56% | 0.556 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -68 | -42.3 | 174.7 | -71.2 | 169.7 | -169.9 | 0 | 0 | 110.8 | K188 K189 L190 G195 | K188-E192 WeakPolarHBondContact CE-OE1 3.48Å; K188-E192 WeakPolarHBondContact O-CG 3.4Å; K188-E192 PolarHBondContact O-N 3.47Å; K188-E192 VanDerWaalsContact O-N 3.16Å; K189-E192 WeakPolarHBondContact O-CB 3.48Å; K189-E192 PolarHBondContact O-N 2.63Å; L190-E192 VanDerWaalsContact C-N 3.31Å; L190-E192 PolarHBondContact O-N 2.86Å; E192-G195 PolarHBondContact O-N 3.3Å |
| 193 | E | 92.8 | Very high | 92.3 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.065 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67 | -37.9 | 179.3 | -169.8 | 169.5 | -169.8 | 0 | 0 | 112.9 | R102 Y106 Y138 Y183 K189 L190 G195 P196 | R102-E193 IonicContact CZ-OE1 2.7Å; R102-E193 IonicContact NE-OE1 3.66Å; R102-E193 PolarHBondContact NE-OE1 3.46Å; R102-E193 IonicContact NH2-OE1 3.66Å; R102-E193 PolarHBondContact NH2-OE1 3.27Å; Y106-E193 HydrophobicContact CD2-CG 3.74Å; Y106-E193 WeakPolarHBondContact CD2-OE1 3.3Å; Y106-E193 HydrophobicContact CE2-CG 3.41Å; Y106-E193 VanDerWaalsContact CE2-CG 3.41Å; Y138-E193 PolarHBondContact OH-OE1 3.26Å; Y138-E193 PolarHBondContact OH-OE2 3.16Å; Y138-E193 VanDerWaalsContact OH-OE2 3.12Å; Y183-E193 PolarHBondContact OH-OE1 3.01Å; Y183-E193 PolarHBondContact OH-OE2 3.27Å; K189-E193 WeakPolarHBondContact O-CB 3.34Å; K189-E193 PolarHBondContact O-N 3.16Å; L190-E193 PolarHBondContact O-N 3.14Å; E193-G195 VanDerWaalsContact C-N 3.3Å; E193-G195 PolarHBondContact O-N 3.49Å; E193-P196 WeakPolarHBondContact O-CD 3.48Å |
| 194 | F | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -1.2 | 177.7 | -84.3 | -95.7 | 0 | 0 | 0 | 114.6 | L109 I135 Y138 L190 H197 T198 V201 L266 | L109-F194 HydrophobicContact CD1-CE1 3.86Å; L109-F194 HydrophobicContact CD1-CZ 3.78Å; I135-F194 HydrophobicContact CB-CE1 4.49Å; I135-F194 HydrophobicContact CD1-CE1 4.33Å; I135-F194 HydrophobicContact CG1-CE1 4.02Å; I135-F194 HydrophobicContact CG1-CZ 4.42Å; I135-F194 HydrophobicContact CG2-CE1 3.81Å; I135-F194 HydrophobicContact CG2-CZ 3.99Å; Y138-F194 AromaticContact CD1-CE2 3.86Å; Y138-F194 HydrophobicContact CD1-CE2 3.86Å; Y138-F194 AromaticContact CD1-CZ 3.87Å; Y138-F194 HydrophobicContact CD1-CZ 3.87Å; Y138-F194 AromaticContact CE1-CE2 3.68Å; Y138-F194 HydrophobicContact CE1-CE2 3.68Å; Y138-F194 HydrophobicContact CE1-CZ 4.1Å; L190-F194 HydrophobicContact CD2-CE2 4.27Å; L190-F194 WeakPolarHBondContact O-CB 3.42Å; L190-F194 VanDerWaalsContact O-CD2 3.31Å; L190-F194 WeakPolarHBondContact O-CD2 3.42Å; L190-F194 PolarHBondContact O-N 2.95Å; F194-H197 HydrophobicContact CD1-CB 4.07Å; F194-H197 AromaticContact CD1-CD2 3.97Å; F194-H197 PolarHBondContact O-N 3.34Å; F194-H197 VanDerWaalsContact O-N 3.13Å; F194-T198 PolarHBondContact O-N 2.98Å; F194-T198 PolarHBondContact O-OG1 3.32Å; F194-V201 HydrophobicContact CD1-CG2 4.4Å; F194-L266 HydrophobicContact CB-CB 4.02Å; F194-L266 HydrophobicContact CD1-CB 4.32Å; F194-L266 HydrophobicContact CD1-CD1 4.07Å; F194-L266 HydrophobicContact CD2-CB 4.44Å; F194-L266 HydrophobicContact CD2-CD1 4.09Å; F194-L266 HydrophobicContact CD2-CD2 4Å; F194-L266 HydrophobicContact CD2-CG 4.41Å; F194-L266 HydrophobicContact CE1-CD1 3.96Å; F194-L266 HydrophobicContact CE2-CD1 3.96Å; F194-L266 HydrophobicContact CE2-CD2 4.32Å; F194-L266 HydrophobicContact CG-CB 4.01Å; F194-L266 HydrophobicContact CG-CD1 4.13Å; F194-L266 HydrophobicContact CG-CD2 4.42Å; F194-L266 HydrophobicContact CG-CG 4.43Å; F194-L266 HydrophobicContact CZ-CD1 3.89Å |
| 195 | G | 91.8 | Very high | 93 | Very high | 37 Ų | 37 | 42.3 Ų | 42.3 | 38% | 0.381 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | -59.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T191 E192 E193 H197 T198 | T191-G195 PolarHBondContact O-N 3.07Å; E192-G195 PolarHBondContact O-N 3.3Å; E193-G195 VanDerWaalsContact C-N 3.3Å; E193-G195 PolarHBondContact O-N 3.49Å; G195-H197 VanDerWaalsContact C-N 3.28Å; G195-H197 PolarHBondContact O-N 2.91Å; G195-T198 WeakPolarHBondContact O-CB 3.18Å; G195-T198 PolarHBondContact O-N 2.69Å; G195-T198 PolarHBondContact O-OG1 3.26Å |
| 196 | P | 92.2 | Very high | 93.3 | Very high | 81 Ų | 81 | 37.2 Ų | 37.2 | 53% | 0.526 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -32.6 | 178.2 | 22 | -32.9 | 0 | 0 | 0 | 113.9 | E193 T198 | E193-P196 WeakPolarHBondContact O-CD 3.48Å; P196-T198 VanDerWaalsContact C-N 3.27Å; P196-T198 PolarHBondContact O-N 2.92Å |
| 197 | H | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -6 | -176.7 | -52.4 | -40.8 | 0 | 0 | 0 | 114.1 | Y106 N110 D113 F194 G195 K199 A200 V201 | Y106-H197 AromaticContact CE2-NE2 4Å; N110-H197 PolarHBondContact OD1-CE1 3.39Å; D113-H197 IonicContact OD1-ND1 3.58Å; D113-H197 WeakPolarHBondContact OD2-CA 3.33Å; D113-H197 IonicContact OD2-CE1 3.44Å; D113-H197 IonicContact OD2-CG 3.1Å; D113-H197 PolarHBondContact OD2-N 3.36Å; D113-H197 IonicContact OD2-ND1 2.74Å; D113-H197 PolarHBondContact OD2-ND1 3.29Å; F194-H197 HydrophobicContact CD1-CB 4.07Å; F194-H197 AromaticContact CD1-CD2 3.97Å; F194-H197 PolarHBondContact O-N 3.34Å; F194-H197 VanDerWaalsContact O-N 3.13Å; G195-H197 VanDerWaalsContact C-N 3.28Å; G195-H197 PolarHBondContact O-N 2.91Å; H197-K199 VanDerWaalsContact C-N 3.26Å; H197-K199 PolarHBondContact O-N 3.01Å; H197-K199 VanDerWaalsContact O-N 3.08Å; H197-A200 PolarHBondContact O-N 3.21Å; H197-V201 HydrophobicContact CB-CG2 4.25Å; H197-V201 WeakPolarHBondContact O-CG2 3.27Å; H197-V201 PolarHBondContact O-N 2.89Å; H197-V201 VanDerWaalsContact O-N 3.11Å |
| 198 | T | 92.7 | Very high | 93.6 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 24% | 0.239 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52 | -39.1 | -172.1 | -65 | 0 | 0 | 0 | 0 | 113.8 | F194 G195 P196 S202 C267 C270 | F194-T198 PolarHBondContact O-N 2.98Å; F194-T198 PolarHBondContact O-OG1 3.32Å; G195-T198 WeakPolarHBondContact O-CB 3.18Å; G195-T198 PolarHBondContact O-N 2.69Å; G195-T198 PolarHBondContact O-OG1 3.26Å; P196-T198 VanDerWaalsContact C-N 3.27Å; P196-T198 PolarHBondContact O-N 2.92Å; T198-S202 VanDerWaalsContact O-CB 3.23Å; T198-S202 WeakPolarHBondContact O-CB 3.25Å; T198-S202 PolarHBondContact O-N 3.43Å; T198-S202 PolarHBondContact O-OG 3.29Å; T198-C267 HydrophobicContact CG2-CB 4.21Å; T198-C270 HydrophobicContact CG2-CB 4.41Å |
| 199 | K | 91.5 | Very high | 93.8 | Very high | 163 Ų | 163 | 33.3 Ų | 33.3 | 71% | 0.709 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -67.6 | -47.3 | -177.5 | -173.7 | -177.8 | 176.1 | -172 | 0 | 111.9 | H197 S202 G203 | H197-K199 VanDerWaalsContact C-N 3.26Å; H197-K199 PolarHBondContact O-N 3.01Å; H197-K199 VanDerWaalsContact O-N 3.08Å; K199-S202 PolarHBondContact O-OG 3.3Å; K199-G203 PolarHBondContact O-N 3.46Å; K199-G203 VanDerWaalsContact O-N 3.1Å |
| 200 | A | 93.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66 | -47.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F119 Y131 H197 G203 A204 | F119-A200 HydrophobicContact CE2-CB 4.18Å; Y131-A200 WeakPolarHBondContact OH-CB 3.42Å; H197-A200 PolarHBondContact O-N 3.21Å; A200-G203 PolarHBondContact O-N 3.4Å; A200-A204 PolarHBondContact O-N 2.92Å |
| 201 | V | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -48.7 | 179.6 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | Y131 I135 F194 H197 G203 A204 L205 C267 | Y131-V201 HydrophobicContact CE1-CG2 4.26Å; Y131-V201 VanDerWaalsContact OH-CG2 3.31Å; Y131-V201 WeakPolarHBondContact OH-CG2 3.39Å; I135-V201 HydrophobicContact CD1-CG2 3.68Å; F194-V201 HydrophobicContact CD1-CG2 4.4Å; H197-V201 HydrophobicContact CB-CG2 4.25Å; H197-V201 WeakPolarHBondContact O-CG2 3.27Å; H197-V201 PolarHBondContact O-N 2.89Å; H197-V201 VanDerWaalsContact O-N 3.11Å; V201-G203 VanDerWaalsContact C-N 3.31Å; V201-G203 PolarHBondContact O-N 3.31Å; V201-A204 PolarHBondContact O-N 3.29Å; V201-L205 HydrophobicContact CG1-CD1 3.88Å; V201-L205 HydrophobicContact CG1-CG 4.27Å; V201-L205 VanDerWaalsContact O-CG 3.29Å; V201-L205 WeakPolarHBondContact O-CG 3.5Å; V201-L205 PolarHBondContact O-N 3.36Å; V201-C267 VanDerWaalsContact CB-SG 3.54Å; V201-C267 HydrophobicContact CG1-CB 4.38Å |
| 202 | S | 93.6 | Very high | 93.7 | Very high | 20 Ų | 20 | 37.1 Ų | 37.1 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.4 | -34.3 | -179.8 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | T198 K199 L206 | T198-S202 VanDerWaalsContact O-CB 3.23Å; T198-S202 WeakPolarHBondContact O-CB 3.25Å; T198-S202 PolarHBondContact O-N 3.43Å; T198-S202 PolarHBondContact O-OG 3.29Å; K199-S202 PolarHBondContact O-OG 3.3Å; S202-L206 WeakPolarHBondContact O-CB 3.46Å; S202-L206 VanDerWaalsContact O-CG 3.25Å; S202-L206 WeakPolarHBondContact O-CG 3.4Å; S202-L206 PolarHBondContact O-N 2.65Å |
| 203 | G | 92.9 | Very high | 93.8 | Very high | 34 Ų | 34 | 34 Ų | 34 | 35% | 0.351 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61 | -51.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K199 A200 V201 L205 L206 S207 | K199-G203 PolarHBondContact O-N 3.46Å; K199-G203 VanDerWaalsContact O-N 3.1Å; A200-G203 PolarHBondContact O-N 3.4Å; V201-G203 VanDerWaalsContact C-N 3.31Å; V201-G203 PolarHBondContact O-N 3.31Å; G203-L205 PolarHBondContact O-N 3.38Å; G203-L206 PolarHBondContact O-N 3.23Å; G203-S207 PolarHBondContact O-N 3.37Å |
| 204 | A | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F119 T128 Y131 L132 A200 V201 L206 S207 | F119-A204 HydrophobicContact CB-CB 3.62Å; F119-A204 HydrophobicContact CD2-CB 4.32Å; F119-A204 HydrophobicContact CG-CB 4.05Å; T128-A204 HydrophobicContact CG2-CB 4.2Å; Y131-A204 HydrophobicContact CD1-CB 4.21Å; Y131-A204 HydrophobicContact CE1-CB 4.31Å; L132-A204 HydrophobicContact CD2-CB 3.92Å; L132-A204 HydrophobicContact CG-CB 4.32Å; A200-A204 PolarHBondContact O-N 2.92Å; V201-A204 PolarHBondContact O-N 3.29Å; A204-L206 PolarHBondContact O-N 3.46Å; A204-S207 WeakPolarHBondContact O-CB 3.17Å; A204-S207 PolarHBondContact O-N 3.48Å; A204-S207 PolarHBondContact O-OG 3.46Å |
| 205 | L | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.2 | -37.5 | 179.9 | -66.8 | 175.9 | 0 | 0 | 0 | 113.2 | L132 V201 G203 S207 L208 W259 I260 F264 L280 | L132-L205 HydrophobicContact CD1-CD2 4.45Å; L132-L205 HydrophobicContact CD2-CD2 3.75Å; L132-L205 HydrophobicContact CD2-CG 4.28Å; V201-L205 HydrophobicContact CG1-CD1 3.88Å; V201-L205 HydrophobicContact CG1-CG 4.27Å; V201-L205 VanDerWaalsContact O-CG 3.29Å; V201-L205 WeakPolarHBondContact O-CG 3.5Å; V201-L205 PolarHBondContact O-N 3.36Å; G203-L205 PolarHBondContact O-N 3.38Å; L205-S207 VanDerWaalsContact C-N 3.26Å; L205-S207 PolarHBondContact O-N 2.92Å; L205-L208 HydrophobicContact CD2-CD1 4.1Å; L205-L208 VanDerWaalsContact O-CB 3.3Å; L205-L208 WeakPolarHBondContact O-CB 3.37Å; L205-L208 PolarHBondContact O-N 3.22Å; L205-L208 VanDerWaalsContact O-N 3.12Å; L205-W259 HydrophobicContact CD2-CB 4.25Å; L205-W259 WeakPolarHBondContact CD2-O 3.35Å; L205-I260 HydrophobicContact CD2-CG1 4.48Å; L205-F264 HydrophobicContact CB-CE1 4.21Å; L205-F264 HydrophobicContact CB-CE2 4.32Å; L205-F264 HydrophobicContact CB-CZ 3.84Å; L205-F264 HydrophobicContact CD1-CD1 3.77Å; L205-F264 HydrophobicContact CD1-CD2 4.21Å; L205-F264 HydrophobicContact CD1-CE1 3.75Å; L205-F264 HydrophobicContact CD1-CE2 4.21Å; L205-F264 HydrophobicContact CD1-CG 4Å; L205-F264 HydrophobicContact CD1-CZ 3.98Å; L205-L280 VanDerWaalsContact O-CD2 3.25Å; L205-L280 WeakPolarHBondContact O-CD2 3.32Å |
| 206 | L | 95.5 | Very high | 93.8 | Very high | 38 Ų | 38 | 37.7 Ų | 37.7 | 20% | 0.199 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.6 | -29.9 | 178.8 | -79.9 | 172.7 | 0 | 0 | 0 | 112.6 | S202 G203 A204 L208 H209 N274 Q276 | S202-L206 WeakPolarHBondContact O-CB 3.46Å; S202-L206 VanDerWaalsContact O-CG 3.25Å; S202-L206 WeakPolarHBondContact O-CG 3.4Å; S202-L206 PolarHBondContact O-N 2.65Å; G203-L206 PolarHBondContact O-N 3.23Å; A204-L206 PolarHBondContact O-N 3.46Å; L206-L208 PolarHBondContact O-N 2.8Å; L206-H209 VanDerWaalsContact O-CB 3.24Å; L206-H209 WeakPolarHBondContact O-CB 3.37Å; L206-H209 PolarHBondContact O-N 2.82Å; L206-N274 WeakPolarHBondContact CD1-ND2 3.43Å; L206-Q276 HydrophobicContact CD2-CB 3.8Å |
| 207 | S | 95.1 | Very high | 93.9 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 12% | 0.119 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -25.5 | 174.1 | 78.1 | 0 | 0 | 0 | 0 | 113 | I121 N122 G203 A204 L205 H209 | I121-S207 PolarHBondContact N-OG 3.28Å; N122-S207 PolarHBondContact ND2-O 3.27Å; G203-S207 PolarHBondContact O-N 3.37Å; A204-S207 WeakPolarHBondContact O-CB 3.17Å; A204-S207 PolarHBondContact O-N 3.48Å; A204-S207 PolarHBondContact O-OG 3.46Å; L205-S207 VanDerWaalsContact C-N 3.26Å; L205-S207 PolarHBondContact O-N 2.92Å; S207-H209 VanDerWaalsContact C-N 3.28Å; S207-H209 PolarHBondContact O-N 3.48Å |
| 208 | L | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -74.6 | -14 | 176 | -58 | 166.2 | 0 | 0 | 0 | 113 | I121 L132 L205 L206 F210 L211 F212 M256 W259 I260 | I121-L208 HydrophobicContact CB-CD2 4.07Å; I121-L208 HydrophobicContact CG1-CD2 3.91Å; I121-L208 HydrophobicContact CG2-CD2 4.01Å; L132-L208 HydrophobicContact CD1-CD1 4.01Å; L205-L208 HydrophobicContact CD2-CD1 4.1Å; L205-L208 VanDerWaalsContact O-CB 3.3Å; L205-L208 WeakPolarHBondContact O-CB 3.37Å; L205-L208 PolarHBondContact O-N 3.22Å; L205-L208 VanDerWaalsContact O-N 3.12Å; L206-L208 PolarHBondContact O-N 2.8Å; L208-F210 PolarHBondContact O-N 3.45Å; L208-L211 PolarHBondContact O-N 2.68Å; L208-F212 VanDerWaalsContact O-CB 3.22Å; L208-F212 WeakPolarHBondContact O-CB 3.46Å; L208-F212 PolarHBondContact O-N 2.88Å; L208-M256 HydrophobicContact CB-CE 4.19Å; L208-M256 HydrophobicContact CD2-CE 3.86Å; L208-W259 HydrophobicContact CD1-CB 4.43Å; L208-W259 HydrophobicContact CD1-CE3 3.95Å; L208-W259 HydrophobicContact CD2-CE3 4Å; L208-W259 HydrophobicContact CD2-CZ3 3.99Å; L208-I260 HydrophobicContact CB-CD1 4.41Å; L208-I260 HydrophobicContact CD1-CD1 4.25Å; L208-I260 HydrophobicContact CD1-CG1 3.85Å |
| 209 | H | 93.9 | Very high | 93.9 | Very high | 59 Ų | 59 | 35.4 Ų | 35.4 | 27% | 0.273 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -56.4 | -52.3 | -168.3 | -173.9 | 86.7 | 0 | 0 | 0 | 112.8 | L206 S207 V213 L280 | L206-H209 VanDerWaalsContact O-CB 3.24Å; L206-H209 WeakPolarHBondContact O-CB 3.37Å; L206-H209 PolarHBondContact O-N 2.82Å; S207-H209 VanDerWaalsContact C-N 3.28Å; S207-H209 PolarHBondContact O-N 3.48Å; H209-V213 WeakPolarHBondContact O-CB 3.34Å; H209-V213 WeakPolarHBondContact O-CG2 3.4Å; H209-V213 PolarHBondContact O-N 3.06Å; H209-V213 VanDerWaalsContact O-N 3.16Å; H209-L280 HydrophobicContact CB-CD1 4.49Å; H209-L280 HydrophobicContact CB-CD2 4.19Å |
| 210 | F | 91.6 | Very high | 94 | Very high | 144 Ų | 144 | 33.4 Ų | 33.4 | 63% | 0.632 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -66 | -45.9 | 179.8 | 177.3 | -99.5 | 0 | 0 | 0 | 111.6 | L208 F212 V213 R214 | L208-F210 PolarHBondContact O-N 3.45Å; F210-F212 PolarHBondContact O-N 3.43Å; F210-V213 PolarHBondContact O-N 2.94Å; F210-R214 WeakPolarHBondContact O-CB 3.44Å; F210-R214 PolarHBondContact O-N 3.43Å |
| 211 | L | 93.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.1 | -47.9 | -179.1 | 179 | 61.2 | 0 | 0 | 0 | 111.7 | I121 L208 R214 R215 C248 L251 M256 | I121-L211 HydrophobicContact CG1-CD2 4.5Å; I121-L211 HydrophobicContact CG2-CD2 4.28Å; L208-L211 PolarHBondContact O-N 2.68Å; L211-R214 PolarHBondContact O-N 3.3Å; L211-R215 HydrophobicContact CD1-CG 3.81Å; L211-R215 HydrophobicContact CG-CG 4.37Å; L211-R215 WeakPolarHBondContact O-CB 3.33Å; L211-R215 WeakPolarHBondContact O-CG 3.32Å; L211-R215 PolarHBondContact O-N 3.37Å; L211-C248 HydrophobicContact CD1-CB 3.7Å; L211-C248 HydrophobicContact CD2-CB 3.59Å; L211-C248 HydrophobicContact CG-CB 4.29Å; L211-L251 HydrophobicContact CD2-CD2 4.36Å; L211-M256 HydrophobicContact CB-CE 4.06Å; L211-M256 HydrophobicContact CD2-CE 3.69Å; L211-M256 HydrophobicContact CD2-SD 4.14Å; L211-M256 HydrophobicContact CG-CE 3.66Å; L211-M256 HydrophobicContact CG-SD 4.28Å |
| 212 | F | 94.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -43.8 | -178 | -172.7 | -102.8 | 0 | 0 | 0 | 111 | L208 F210 R214 R215 N216 V253 M256 E257 I260 L280 L283 C284 | L208-F212 VanDerWaalsContact O-CB 3.22Å; L208-F212 WeakPolarHBondContact O-CB 3.46Å; L208-F212 PolarHBondContact O-N 2.88Å; F210-F212 PolarHBondContact O-N 3.43Å; F212-R214 VanDerWaalsContact C-N 3.32Å; F212-R214 PolarHBondContact O-N 2.66Å; F212-R215 PolarHBondContact O-N 2.89Å; F212-N216 HydrophobicContact CD1-CB 4.47Å; F212-N216 HydrophobicContact CE1-CB 4.21Å; F212-N216 HydrophobicContact CE2-CB 4.48Å; F212-N216 HydrophobicContact CZ-CB 4.21Å; F212-N216 WeakPolarHBondContact O-CB 3.31Å; F212-N216 PolarHBondContact O-N 3.39Å; F212-V253 HydrophobicContact CE2-CG1 3.95Å; F212-M256 HydrophobicContact CB-CE 3.65Å; F212-M256 HydrophobicContact CD2-CB 3.93Å; F212-M256 HydrophobicContact CD2-CE 3.97Å; F212-M256 HydrophobicContact CD2-SD 4.45Å; F212-M256 HydrophobicContact CE2-CB 4.33Å; F212-M256 HydrophobicContact CG-CE 4.32Å; F212-E257 HydrophobicContact CE2-CB 4.38Å; F212-I260 HydrophobicContact CB-CD1 4.25Å; F212-I260 HydrophobicContact CD1-CD1 4.25Å; F212-I260 HydrophobicContact CD2-CD1 3.94Å; F212-I260 HydrophobicContact CE2-CD1 4.37Å; F212-I260 HydrophobicContact CG-CD1 3.87Å; F212-L280 HydrophobicContact CB-CD1 4.2Å; F212-L280 HydrophobicContact CD1-CD1 3.96Å; F212-L280 HydrophobicContact CG-CD1 4.37Å; F212-L283 HydrophobicContact CD1-CD2 3.82Å; F212-L283 HydrophobicContact CD1-CG 4.39Å; F212-L283 HydrophobicContact CE1-CD2 3.94Å; F212-L283 HydrophobicContact CE1-CG 4.01Å; F212-C284 WeakPolarHBondContact CE1-SG 3.36Å; F212-C284 HydrophobicContact CZ-CB 4.47Å; F212-C284 WeakPolarHBondContact CZ-SG 3.49Å |
| 213 | V | 92.8 | Very high | 94.2 | Very high | 54 Ų | 54 | 42.2 Ų | 42.2 | 33% | 0.327 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | H209 F210 Q217 L283 | H209-V213 WeakPolarHBondContact O-CB 3.34Å; H209-V213 WeakPolarHBondContact O-CG2 3.4Å; H209-V213 PolarHBondContact O-N 3.06Å; H209-V213 VanDerWaalsContact O-N 3.16Å; F210-V213 PolarHBondContact O-N 2.94Å; V213-Q217 PolarHBondContact O-NE2 3.2Å; V213-L283 HydrophobicContact CG2-CD2 3.65Å |
| 214 | R | 92.4 | Very high | 94.2 | Very high | 93 Ų | 93 | 45.5 Ų | 45.5 | 35% | 0.351 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.9 | -40.5 | 179.5 | -173.4 | -174.8 | 67.9 | 156.3 | 2.1 | 112.8 | F210 L211 F212 Q217 E249 | F210-R214 WeakPolarHBondContact O-CB 3.44Å; F210-R214 PolarHBondContact O-N 3.43Å; L211-R214 PolarHBondContact O-N 3.3Å; F212-R214 VanDerWaalsContact C-N 3.32Å; F212-R214 PolarHBondContact O-N 2.66Å; R214-Q217 WeakPolarHBondContact O-CG 3.34Å; R214-E249 IonicContact CZ-OE1 3.44Å; R214-E249 VanDerWaalsContact CZ-OE1 3.31Å; R214-E249 IonicContact CZ-OE2 3.07Å; R214-E249 IonicContact NH1-OE1 2.88Å; R214-E249 PolarHBondContact NH1-OE1 3.05Å; R214-E249 IonicContact NH1-OE2 2.7Å; R214-E249 IonicContact NH2-OE1 3.49Å; R214-E249 PolarHBondContact NH2-OE1 3.35Å; R214-E249 IonicContact NH2-OE2 2.65Å; R214-E249 PolarHBondContact NH2-OE2 3.17Å |
| 215 | R | 93.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 49 Ų | 49 | 3% | 0.03 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -79.2 | -29.7 | -178.8 | -68.2 | -70.2 | -57.6 | -60 | -6.1 | 112.4 | L211 F212 Q217 C248 E249 L251 V253 F375 | L211-R215 HydrophobicContact CD1-CG 3.81Å; L211-R215 HydrophobicContact CG-CG 4.37Å; L211-R215 WeakPolarHBondContact O-CB 3.33Å; L211-R215 WeakPolarHBondContact O-CG 3.32Å; L211-R215 PolarHBondContact O-N 3.37Å; F212-R215 PolarHBondContact O-N 2.89Å; R215-Q217 VanDerWaalsContact C-N 3.29Å; R215-Q217 PolarHBondContact O-N 3.22Å; R215-C248 PolarHBondContact NH1-O 3.23Å; R215-E249 PolarHBondContact NE-O 3.22Å; R215-E249 PolarHBondContact NH1-O 3.32Å; R215-E249 PolarHBondContact NH2-O 2.74Å; R215-L251 PolarHBondContact NH1-O 2.95Å; R215-L251 PolarHBondContact NH2-O 3.49Å; R215-V253 HydrophobicContact CB-CG2 4.04Å; R215-F375 VanDerWaalsContact NE-CE1 3.28Å |
| 216 | N | 93.5 | Very high | 93.9 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 14% | 0.144 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -90.3 | 44.8 | -178.5 | -162.8 | 26.5 | 0 | 0 | 0 | 113.5 | F212 R340 | F212-N216 HydrophobicContact CD1-CB 4.47Å; F212-N216 HydrophobicContact CE1-CB 4.21Å; F212-N216 HydrophobicContact CE2-CB 4.48Å; F212-N216 HydrophobicContact CZ-CB 4.21Å; F212-N216 WeakPolarHBondContact O-CB 3.31Å; F212-N216 PolarHBondContact O-N 3.39Å; N216-R340 VanDerWaalsContact CA-NH2 3.27Å; N216-R340 PolarHBondContact O-NH2 3.35Å; N216-R340 PolarHBondContact OD1-NH2 3.02Å |
| 217 | Q | 93.5 | Very high | 93.8 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | trans | -89.3 | 154.5 | 179.9 | -67.5 | -70.3 | -29.1 | 0 | 0 | 112.4 | V213 R214 R215 Q221 W222 R340 | V213-Q217 PolarHBondContact O-NE2 3.2Å; R214-Q217 WeakPolarHBondContact O-CG 3.34Å; R215-Q217 VanDerWaalsContact C-N 3.29Å; R215-Q217 PolarHBondContact O-N 3.22Å; Q217-Q221 HydrophobicContact CB-CB 4.07Å; Q217-W222 PolarHBondContact O-NE1 2.87Å; Q217-R340 VanDerWaalsContact O-CZ 3.24Å; Q217-R340 PolarHBondContact O-NE 3.1Å; Q217-R340 PolarHBondContact O-NH2 3.36Å | ||
| 218 | G | 92.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | trans | -76.3 | 168.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E220 Q221 W222 F336 | G218-E220 VanDerWaalsContact C-N 3.26Å; G218-E220 PolarHBondContact O-N 3.01Å; G218-Q221 VanDerWaalsContact C-OE1 3.29Å; G218-Q221 VanDerWaalsContact N-OE1 3.12Å; G218-Q221 PolarHBondContact O-N 3.25Å; G218-Q221 PolarHBondContact O-OE1 2.82Å; G218-W222 PolarHBondContact O-N 3.36Å; G218-F336 VanDerWaalsContact CA-CE2 3.42Å | ||
| 219 | A | 94.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.7 | -31.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | W222 R223 Q339 F343 | A219-W222 PolarHBondContact O-N 2.93Å; A219-R223 WeakPolarHBondContact O-CG 3.49Å; A219-R223 PolarHBondContact O-N 3.37Å; A219-Q339 HydrophobicContact CB-CB 3.79Å; A219-Q339 WeakPolarHBondContact CB-O 3.26Å; A219-F343 HydrophobicContact CB-CB 4.22Å |
| 220 | E | 94 | Very high | 93.6 | Very high | 122 Ų | 122 | 52.3 Ų | 52.3 | 57% | 0.57 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.5 | -40.6 | 176 | -68.3 | -172.4 | 164.6 | 0 | 0 | 112.6 | G218 R223 S224 | G218-E220 VanDerWaalsContact C-N 3.26Å; G218-E220 PolarHBondContact O-N 3.01Å; E220-R223 PolarHBondContact O-N 3.03Å; E220-S224 WeakPolarHBondContact O-CB 3.45Å; E220-S224 PolarHBondContact O-N 3.31Å; E220-S224 PolarHBondContact O-OG 3.13Å |
| 221 | Q | 95.2 | Very high | 93.7 | Very high | 90 Ų | 90 | 49.4 Ų | 49.4 | 42% | 0.421 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 175 | -65.3 | 84.9 | 0.5 | 0 | 0 | 110.7 | Q217 G218 R223 S224 A225 | Q217-Q221 HydrophobicContact CB-CB 4.07Å; G218-Q221 VanDerWaalsContact C-OE1 3.29Å; G218-Q221 VanDerWaalsContact N-OE1 3.12Å; G218-Q221 PolarHBondContact O-N 3.25Å; G218-Q221 PolarHBondContact O-OE1 2.82Å; Q221-R223 PolarHBondContact O-N 2.95Å; Q221-S224 PolarHBondContact O-N 3.18Å; Q221-A225 WeakPolarHBondContact O-CB 3.35Å; Q221-A225 PolarHBondContact O-N 2.63Å |
| 222 | W | 95.7 | Very high | 93.6 | Very high | 12 Ų | 12 | 51.8 Ų | 51.8 | 5% | 0.045 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 173.5 | -69.3 | -6.7 | 0 | 0 | 0 | 112.7 | Q217 G218 A219 A225 Q226 L227 R340 F343 L344 | Q217-W222 PolarHBondContact O-NE1 2.87Å; G218-W222 PolarHBondContact O-N 3.36Å; A219-W222 PolarHBondContact O-N 2.93Å; W222-A225 PolarHBondContact O-N 3.41Å; W222-Q226 PolarHBondContact O-N 2.87Å; W222-L227 HydrophobicContact CB-CB 4.24Å; W222-L227 HydrophobicContact CB-CD2 4.19Å; W222-L227 HydrophobicContact CD2-CD2 3.85Å; W222-L227 HydrophobicContact CG-CD2 3.67Å; W222-L227 PolarHBondContact O-N 3.45Å; W222-R340 HydrophobicContact CE3-CB 4.49Å; W222-R340 HydrophobicContact CE3-CG 4.04Å; W222-R340 HydrophobicContact CH2-CB 4.22Å; W222-R340 VanDerWaalsContact CH2-CD 3.41Å; W222-R340 HydrophobicContact CH2-CG 3.77Å; W222-R340 HydrophobicContact CZ2-CG 4.49Å; W222-R340 HydrophobicContact CZ3-CB 3.73Å; W222-R340 HydrophobicContact CZ3-CG 3.49Å; W222-R340 VanDerWaalsContact CZ3-CG 3.49Å; W222-F343 HydrophobicContact CB-CD1 4.11Å; W222-F343 HydrophobicContact CB-CD2 4.45Å; W222-F343 HydrophobicContact CB-CE1 3.8Å; W222-F343 HydrophobicContact CB-CE2 4.17Å; W222-F343 HydrophobicContact CB-CG 4.41Å; W222-F343 HydrophobicContact CB-CZ 3.82Å; W222-F343 HydrophobicContact CD2-CD1 4.35Å; W222-F343 HydrophobicContact CD2-CE1 4.46Å; W222-F343 AromaticContact CE3-CD1 3.51Å; W222-F343 HydrophobicContact CE3-CD1 3.51Å; W222-F343 AromaticContact CE3-CE1 4Å; W222-F343 HydrophobicContact CE3-CE1 4Å; W222-F343 HydrophobicContact CE3-CG 4.22Å; W222-F343 HydrophobicContact CG-CE1 4.46Å; W222-F343 HydrophobicContact CZ3-CD1 4.27Å; W222-L344 HydrophobicContact CZ3-CD1 4.36Å; W222-L344 HydrophobicContact CZ3-CD2 4.21Å; W222-L344 HydrophobicContact CZ3-CG 4.1Å |
| 223 | R | 94.8 | Very high | 93.3 | Very high | 115 Ų | 115 | 56 Ų | 56 | 43% | 0.434 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 172.6 | -78.6 | -174.6 | -78.9 | -109.4 | 2.1 | 112.1 | A219 E220 Q221 A225 Q226 F343 | A219-R223 WeakPolarHBondContact O-CG 3.49Å; A219-R223 PolarHBondContact O-N 3.37Å; E220-R223 PolarHBondContact O-N 3.03Å; Q221-R223 PolarHBondContact O-N 2.95Å; R223-A225 PolarHBondContact O-N 3.36Å; R223-Q226 PolarHBondContact O-N 3.46Å; R223-F343 HydrophobicContact CB-CE2 4.35Å; R223-F343 HydrophobicContact CG-CD2 3.49Å; R223-F343 VanDerWaalsContact CG-CD2 3.49Å; R223-F343 HydrophobicContact CG-CE2 3.62Å |
| 224 | S | 94.3 | Very high | 93.2 | Very high | 104 Ų | 104 | 57.1 Ų | 57.1 | 73% | 0.727 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63 | -33.8 | 179.7 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | E220 Q221 Q226 | E220-S224 WeakPolarHBondContact O-CB 3.45Å; E220-S224 PolarHBondContact O-N 3.31Å; E220-S224 PolarHBondContact O-OG 3.13Å; Q221-S224 PolarHBondContact O-N 3.18Å; S224-Q226 VanDerWaalsContact C-N 3.35Å |
| 225 | A | 93.1 | Very high | 93.1 | Very high | 73 Ų | 73 | 57.7 Ų | 57.7 | 60% | 0.603 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q221 W222 R223 L227 | Q221-A225 WeakPolarHBondContact O-CB 3.35Å; Q221-A225 PolarHBondContact O-N 2.63Å; W222-A225 PolarHBondContact O-N 3.41Å; R223-A225 PolarHBondContact O-N 3.36Å; A225-L227 PolarHBondContact O-N 3.09Å |
| 226 | Q | 93.2 | Very high | 92.9 | Very high | 115 Ų | 115 | 58.4 Ų | 58.4 | 54% | 0.537 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 42.7 | -173.4 | -58.5 | -180 | -65 | 0 | 0 | 112.7 | W222 R223 S224 L228 S229 | W222-Q226 PolarHBondContact O-N 2.87Å; R223-Q226 PolarHBondContact O-N 3.46Å; S224-Q226 VanDerWaalsContact C-N 3.35Å; Q226-L228 PolarHBondContact O-N 3.21Å; Q226-S229 WeakPolarHBondContact O-CB 3.14Å; Q226-S229 PolarHBondContact O-N 3Å; Q226-S229 VanDerWaalsContact O-N 3.13Å |
| 227 | L | 93.9 | Very high | 92.6 | Very high | 40 Ų | 40 | 59.4 Ų | 59.4 | 21% | 0.209 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 135.1 | -173.8 | -173.9 | 67.3 | 0 | 0 | 0 | 111.4 | W222 A225 S229 F343 M371 F375 | W222-L227 HydrophobicContact CB-CB 4.24Å; W222-L227 HydrophobicContact CB-CD2 4.19Å; W222-L227 HydrophobicContact CD2-CD2 3.85Å; W222-L227 HydrophobicContact CG-CD2 3.67Å; W222-L227 PolarHBondContact O-N 3.45Å; A225-L227 PolarHBondContact O-N 3.09Å; L227-S229 PolarHBondContact O-N 2.87Å; L227-F343 HydrophobicContact CB-CE1 4.25Å; L227-F343 HydrophobicContact CB-CZ 4.08Å; L227-M371 HydrophobicContact CD1-CE 4.37Å; L227-F375 HydrophobicContact CD2-CE2 3.92Å; L227-F375 HydrophobicContact CD2-CZ 4.33Å; L227-F375 HydrophobicContact CG-CE2 4.49Å |
| 228 | L | 94.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.016 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | -5.5 | -176.2 | -55.6 | 174.2 | 0 | 0 | 0 | 116.8 | Q226 L230 L344 V348 F368 M371 A372 F375 | Q226-L228 PolarHBondContact O-N 3.21Å; L228-L230 PolarHBondContact O-N 3.46Å; L228-L344 HydrophobicContact CD1-CD2 4.37Å; L228-V348 HydrophobicContact CD1-CG2 4.14Å; L228-F368 HydrophobicContact CD2-CB 4.38Å; L228-F368 HydrophobicContact CD2-CG 4.5Å; L228-M371 HydrophobicContact CD2-CB 3.9Å; L228-A372 HydrophobicContact CD1-CB 3.87Å; L228-A372 HydrophobicContact CD2-CB 4.43Å; L228-F375 HydrophobicContact CD1-CD2 4.21Å; L228-F375 HydrophobicContact CD2-CE2 4.42Å |
| 229 | S | 94.1 | Very high | 92.5 | Very high | 18 Ų | 18 | 66.4 Ų | 66.4 | 13% | 0.126 | 37% | 0.369 | C | S | . | . | trans | -73.7 | 123.8 | -178.2 | -177.6 | 0 | 0 | 0 | 0 | 112 | Q226 L227 I231 S232 E350 | Q226-S229 WeakPolarHBondContact O-CB 3.14Å; Q226-S229 PolarHBondContact O-N 3Å; Q226-S229 VanDerWaalsContact O-N 3.13Å; L227-S229 PolarHBondContact O-N 2.87Å; S229-I231 PolarHBondContact OG-N 3.48Å; S229-S232 PolarHBondContact O-OG 3.22Å; S229-S232 PolarHBondContact OG-N 3.26Å; S229-E350 WeakPolarHBondContact CB-OE1 3.43Å; S229-E350 PolarHBondContact OG-OE1 2.96Å | ||
| 230 | L | 91.6 | Very high | 92.4 | Very high | 7 Ų | 7 | 68.4 Ų | 68.4 | 4% | 0.037 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -82.6 | -22.2 | 174 | -65.3 | -177 | 0 | 0 | 0 | 113 | L228 M237 L351 V354 L355 L361 K365 F368 | L228-L230 PolarHBondContact O-N 3.46Å; L230-M237 VanDerWaalsContact O-CG 3.22Å; L230-M237 WeakPolarHBondContact O-CG 3.2Å; L230-L351 HydrophobicContact CD1-CD1 3.52Å; L230-L351 HydrophobicContact CD2-CD1 4.28Å; L230-L351 HydrophobicContact CG-CD1 3.67Å; L230-V354 HydrophobicContact CB-CG1 4.27Å; L230-V354 HydrophobicContact CD1-CB 4.31Å; L230-V354 HydrophobicContact CD1-CG1 3.78Å; L230-L355 HydrophobicContact CD1-CD2 4.03Å; L230-L355 HydrophobicContact CD1-CG 4.27Å; L230-L361 HydrophobicContact CD1-CD1 4.46Å; L230-K365 HydrophobicContact CD2-CB 4.14Å; L230-K365 HydrophobicContact CD2-CD 3.81Å; L230-K365 HydrophobicContact CD2-CG 3.72Å; L230-F368 HydrophobicContact CD2-CD2 3.52Å; L230-F368 HydrophobicContact CD2-CE2 3.85Å; L230-F368 HydrophobicContact CG-CD2 4.46Å |
| 231 | I | 92.9 | Very high | 92.2 | Very high | 83 Ų | 83 | 63.3 Ų | 63.3 | 43% | 0.426 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -99 | -3.9 | -175.2 | 63 | 174.8 | 0 | 0 | 0 | 113.2 | S229 N233 P234 E350 V354 | S229-I231 PolarHBondContact OG-N 3.48Å; I231-N233 PolarHBondContact O-N 2.91Å; I231-P234 WeakPolarHBondContact O-CD 3.3Å; I231-E350 HydrophobicContact CD1-CG 4.12Å; I231-E350 WeakPolarHBondContact CD1-OE2 3.26Å; I231-E350 HydrophobicContact CG1-CG 4.47Å; I231-E350 WeakPolarHBondContact CG1-OE1 3.42Å; I231-V354 HydrophobicContact CG2-CG2 4.2Å |
| 232 | S | 91 | Very high | 91.6 | Very high | 52 Ų | 52 | 64.7 Ų | 64.7 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -57.4 | -36.3 | 173.1 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | S229 | S229-S232 PolarHBondContact O-OG 3.22Å; S229-S232 PolarHBondContact OG-N 3.26Å |
| 233 | N | 90 | Very high | 91.2 | Very high | 88 Ų | 88 | 65.3 Ų | 65.3 | 47% | 0.471 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -137.1 | 81.6 | 176.5 | -173.2 | 5.8 | 0 | 0 | 0 | 110.5 | I231 P235 A236 | I231-N233 PolarHBondContact O-N 2.91Å; N233-P235 VanDerWaalsContact C-CD 3.48Å; N233-P235 WeakPolarHBondContact OD1-CD 3.17Å; N233-A236 HydrophobicContact CB-CB 4.25Å; N233-A236 PolarHBondContact O-N 3.18Å |
| 234 | P | 89.2 | Confident | 90.7 | Very high | 78 Ų | 78 | 64.4 Ų | 64.4 | 51% | 0.506 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -54.4 | -39.4 | -173.1 | -24.6 | 33.5 | 0 | 0 | 0 | 115.1 | I231 A236 M237 | I231-P234 WeakPolarHBondContact O-CD 3.3Å; P234-A236 PolarHBondContact O-N 3.49Å; P234-A236 VanDerWaalsContact O-N 3.15Å; P234-M237 HydrophobicContact CB-SD 4.4Å; P234-M237 WeakPolarHBondContact O-CB 3.47Å; P234-M237 VanDerWaalsContact O-CG 3.25Å; P234-M237 WeakPolarHBondContact O-CG 3.35Å; P234-M237 PolarHBondContact O-N 3.46Å; P234-M237 VanDerWaalsContact O-N 3.13Å |
| 235 | P | 89.9 | Confident | 90.4 | Very high | 106 Ų | 106 | 60.3 Ų | 60.3 | 69% | 0.688 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -58.8 | -25.5 | 174.2 | -26.4 | 34.9 | 0 | 0 | 0 | 114.8 | N233 | N233-P235 VanDerWaalsContact C-CD 3.48Å; N233-P235 WeakPolarHBondContact OD1-CD 3.17Å |
| 236 | A | 89.1 | Confident | 90.3 | Very high | 23 Ų | 23 | 57 Ų | 57 | 19% | 0.19 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -93 | 7.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N233 P234 I238 N239 K365 | N233-A236 HydrophobicContact CB-CB 4.25Å; N233-A236 PolarHBondContact O-N 3.18Å; P234-A236 PolarHBondContact O-N 3.49Å; P234-A236 VanDerWaalsContact O-N 3.15Å; A236-I238 VanDerWaalsContact C-N 3.29Å; A236-I238 PolarHBondContact O-N 2.91Å; A236-N239 WeakPolarHBondContact O-CB 3.46Å; A236-N239 PolarHBondContact O-N 3.2Å; A236-K365 PolarHBondContact O-NZ 3.5Å |
| 237 | M | 88.8 | Confident | 90.1 | Very high | 47 Ų | 47 | 51.9 Ų | 51.9 | 23% | 0.232 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -36.5 | 178.9 | -76.5 | 178.9 | 71.8 | 0 | 0 | 112.8 | L230 P234 V354 L361 K365 | L230-M237 VanDerWaalsContact O-CG 3.22Å; L230-M237 WeakPolarHBondContact O-CG 3.2Å; P234-M237 HydrophobicContact CB-SD 4.4Å; P234-M237 WeakPolarHBondContact O-CB 3.47Å; P234-M237 VanDerWaalsContact O-CG 3.25Å; P234-M237 WeakPolarHBondContact O-CG 3.35Å; P234-M237 PolarHBondContact O-N 3.46Å; P234-M237 VanDerWaalsContact O-N 3.13Å; M237-V354 HydrophobicContact CE-CG1 4.17Å; M237-L361 HydrophobicContact CE-CD1 3.74Å; M237-K365 WeakPolarHBondContact O-CE 3.37Å |
| 238 | I | 90.4 | Very high | 90.2 | Very high | 131 Ų | 131 | 50.1 Ų | 50.1 | 67% | 0.672 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -14.6 | 178.9 | 59.7 | 170.6 | 0 | 0 | 0 | 113.6 | A236 | A236-I238 VanDerWaalsContact C-N 3.29Å; A236-I238 PolarHBondContact O-N 2.91Å |
| 239 | N | 92.8 | Very high | 90.2 | Very high | 87 Ų | 87 | 50.7 Ų | 50.7 | 47% | 0.465 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -72.2 | 138.2 | -178.3 | -65.2 | -12.6 | 0 | 0 | 0 | 109.8 | A236 A241 K365 | A236-N239 WeakPolarHBondContact O-CB 3.46Å; A236-N239 PolarHBondContact O-N 3.2Å; N239-A241 PolarHBondContact O-N 3.01Å; N239-K365 WeakPolarHBondContact O-CE 3.33Å; N239-K365 PolarHBondContact O-NZ 2.92Å |
| 240 | P | 91.8 | Very high | 90.2 | Very high | 43 Ų | 43 | 50 Ų | 50 | 28% | 0.279 | 29% | 0.289 | S | S | . | . | trans | -59.2 | 134 | 173.9 | 24.1 | -32.1 | 0 | 0 | 0 | 110.4 | N242 P364 Y432 | P240-N242 PolarHBondContact O-N 3.43Å; P240-N242 VanDerWaalsContact O-N 3.16Å; P240-P364 CarbonylContact C-O 3.16Å; P240-P364 WeakPolarHBondContact CA-O 3.14Å; P240-Y432 HydrophobicContact CB-CE2 4.03Å; P240-Y432 HydrophobicContact CG-CE2 4.11Å | ||
| 241 | A | 90.1 | Very high | 90.5 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 12% | 0.124 | 29% | 0.288 | C | S | . | . | trans | -71.9 | 104.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | N239 P364 K365 L367 F368 | N239-A241 PolarHBondContact O-N 3.01Å; A241-P364 PolarHBondContact N-O 2.8Å; A241-K365 HydrophobicContact CB-CD 4.08Å; A241-L367 HydrophobicContact CB-CB 4.19Å; A241-L367 HydrophobicContact CB-CD2 4.34Å; A241-F368 HydrophobicContact CB-CD1 3.93Å; A241-F368 HydrophobicContact CB-CE1 3.76Å; A241-F368 HydrophobicContact CB-CZ 4.42Å | ||
| 242 | N | 82.8 | Confident | 90.6 | Very high | 119 Ų | 119 | 46.1 Ų | 46.1 | 64% | 0.636 | 27% | 0.27 | S | S | * | . | trans | -114.6 | 152.6 | -178.8 | 64.1 | -6.4 | 0 | 0 | 0 | 111.9 | P240 | P240-N242 PolarHBondContact O-N 3.43Å; P240-N242 VanDerWaalsContact O-N 3.16Å | ||
| 243 | S | 87.6 | Confident | 90.8 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | trans | -146.3 | 144.6 | 170.9 | 174 | 0 | 0 | 0 | 0 | 107.9 | T245 M246 E249 | S243-T245 PolarHBondContact O-N 2.87Å; S243-T245 VanDerWaalsContact O-N 3.09Å; S243-T245 PolarHBondContact OG-N 3.27Å; S243-T245 VanDerWaalsContact OG-N 3.13Å; S243-T245 PolarHBondContact OG-OG1 2.89Å; S243-M246 PolarHBondContact N-SD 2.99Å; S243-M246 WeakPolarHBondContact O-CG 3.17Å; S243-E249 WeakPolarHBondContact CB-OE1 3.49Å; S243-E249 PolarHBondContact OG-OE1 3.16Å | ||
| 244 | D | 83.7 | Confident | 91 | Very high | 95 Ų | 95 | 41.1 Ų | 41.1 | 51% | 0.508 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.2 | 171.4 | -73.4 | 3.9 | 0 | 0 | 0 | 111.8 | K513 | D244-K513 HydrophobicContact CB-CD 3.97Å; D244-K513 HydrophobicContact CB-CG 4.19Å; D244-K513 WeakPolarHBondContact OD2-CE 3.35Å; D244-K513 IonicContact OD2-NZ 3.7Å; D244-K513 PolarHBondContact OD2-NZ 2.96Å |
| 245 | T | 88.4 | Confident | 91.3 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 12% | 0.117 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | 57.2 | -178.1 | 58.9 | 0 | 0 | 0 | 0 | 111.2 | N122 S243 A247 C248 E249 | N122-T245 HydrophobicContact CB-CG2 3.8Å; S243-T245 PolarHBondContact O-N 2.87Å; S243-T245 VanDerWaalsContact O-N 3.09Å; S243-T245 PolarHBondContact OG-N 3.27Å; S243-T245 VanDerWaalsContact OG-N 3.13Å; S243-T245 PolarHBondContact OG-OG1 2.89Å; T245-A247 VanDerWaalsContact C-N 3.35Å; T245-A247 PolarHBondContact O-N 3.43Å; T245-C248 WeakPolarHBondContact O-CA 3.4Å; T245-C248 VanDerWaalsContact O-CB 3.28Å; T245-C248 WeakPolarHBondContact O-CB 3.31Å; T245-C248 PolarHBondContact O-N 2.95Å; T245-E249 PolarHBondContact O-N 3.2Å; T245-E249 PolarHBondContact OG1-OE1 3.37Å |
| 246 | M | 90.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -45.4 | -52.5 | -174.9 | -67.8 | -64.3 | -82.8 | 0 | 0 | 114 | S243 C248 E249 Y250 L367 L517 F520 | S243-M246 PolarHBondContact N-SD 2.99Å; S243-M246 WeakPolarHBondContact O-CG 3.17Å; M246-C248 PolarHBondContact O-N 3.44Å; M246-E249 PolarHBondContact O-N 2.6Å; M246-E249 VanDerWaalsContact O-N 3.08Å; M246-Y250 WeakPolarHBondContact O-CD1 3.27Å; M246-Y250 WeakPolarHBondContact O-CE1 3.38Å; M246-L367 HydrophobicContact CE-CB 4.4Å; M246-L367 HydrophobicContact CE-CD1 4.25Å; M246-L367 HydrophobicContact CE-CD2 3.95Å; M246-L367 HydrophobicContact CE-CG 4.43Å; M246-L367 HydrophobicContact SD-CD2 3.9Å; M246-L517 HydrophobicContact CE-CD1 3.78Å; M246-L517 HydrophobicContact CG-CB 4.36Å; M246-L517 HydrophobicContact CG-CD1 3.53Å; M246-L517 HydrophobicContact SD-CD1 3.89Å; M246-F520 HydrophobicContact CB-CB 4.12Å; M246-F520 HydrophobicContact CB-CG 4.38Å; M246-F520 HydrophobicContact CE-CD1 3.31Å; M246-F520 HydrophobicContact CE-CE1 3.51Å; M246-F520 HydrophobicContact CE-CG 4Å; M246-F520 HydrophobicContact CE-CZ 4.31Å |
| 247 | A | 90.1 | Very high | 92 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 7% | 0.066 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.4 | -22.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F125 T245 E249 L251 | F125-A247 HydrophobicContact CD1-CB 3.71Å; F125-A247 HydrophobicContact CD2-CB 3.97Å; F125-A247 HydrophobicContact CE1-CB 3.49Å; F125-A247 VanDerWaalsContact CE1-CB 3.49Å; F125-A247 HydrophobicContact CE2-CB 3.76Å; F125-A247 HydrophobicContact CG-CB 3.94Å; F125-A247 HydrophobicContact CZ-CB 3.51Å; T245-A247 VanDerWaalsContact C-N 3.35Å; T245-A247 PolarHBondContact O-N 3.43Å; A247-E249 VanDerWaalsContact C-N 3.35Å; A247-L251 PolarHBondContact O-N 2.82Å |
| 248 | C | 94.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -77.8 | -18.7 | 176.8 | -65.8 | 0 | 0 | 0 | 0 | 113 | L211 R215 T245 M246 | L211-C248 HydrophobicContact CD1-CB 3.7Å; L211-C248 HydrophobicContact CD2-CB 3.59Å; L211-C248 HydrophobicContact CG-CB 4.29Å; R215-C248 PolarHBondContact NH1-O 3.23Å; T245-C248 WeakPolarHBondContact O-CA 3.4Å; T245-C248 VanDerWaalsContact O-CB 3.28Å; T245-C248 WeakPolarHBondContact O-CB 3.31Å; T245-C248 PolarHBondContact O-N 2.95Å; M246-C248 PolarHBondContact O-N 3.44Å |
| 249 | E | 94.9 | Very high | 92.7 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 7% | 0.07 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.9 | -29.3 | -177.9 | -56.7 | -54.9 | 161.4 | 0 | 0 | 112.9 | R214 R215 S243 T245 M246 A247 L367 M371 | R214-E249 IonicContact CZ-OE1 3.44Å; R214-E249 VanDerWaalsContact CZ-OE1 3.31Å; R214-E249 IonicContact CZ-OE2 3.07Å; R214-E249 IonicContact NH1-OE1 2.88Å; R214-E249 PolarHBondContact NH1-OE1 3.05Å; R214-E249 IonicContact NH1-OE2 2.7Å; R214-E249 IonicContact NH2-OE1 3.49Å; R214-E249 PolarHBondContact NH2-OE1 3.35Å; R214-E249 IonicContact NH2-OE2 2.65Å; R214-E249 PolarHBondContact NH2-OE2 3.17Å; R215-E249 PolarHBondContact NE-O 3.22Å; R215-E249 PolarHBondContact NH1-O 3.32Å; R215-E249 PolarHBondContact NH2-O 2.74Å; S243-E249 WeakPolarHBondContact CB-OE1 3.49Å; S243-E249 PolarHBondContact OG-OE1 3.16Å; T245-E249 PolarHBondContact O-N 3.2Å; T245-E249 PolarHBondContact OG1-OE1 3.37Å; M246-E249 PolarHBondContact O-N 2.6Å; M246-E249 VanDerWaalsContact O-N 3.08Å; A247-E249 VanDerWaalsContact C-N 3.35Å; E249-L367 HydrophobicContact CB-CD1 4.15Å; E249-L367 HydrophobicContact CG-CD2 4.39Å; E249-M371 HydrophobicContact CB-CE 4.34Å; E249-M371 HydrophobicContact CB-CG 4.03Å; E249-M371 HydrophobicContact CB-SD 3.94Å |
| 250 | Y | 94.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -111.7 | 6.6 | 176.4 | 61.3 | -99.5 | 0 | 0 | 0 | 113.1 | M246 S252 L367 F370 S374 F520 L531 T535 | M246-Y250 WeakPolarHBondContact O-CD1 3.27Å; M246-Y250 WeakPolarHBondContact O-CE1 3.38Å; Y250-S252 PolarHBondContact O-N 3.1Å; Y250-L367 HydrophobicContact CD1-CD1 3.89Å; Y250-L367 HydrophobicContact CE1-CD1 4.39Å; Y250-F370 HydrophobicContact CG-CB 4.44Å; Y250-S374 WeakPolarHBondContact O-CB 3.4Å; Y250-S374 PolarHBondContact O-OG 3.19Å; Y250-S374 VanDerWaalsContact O-OG 3.1Å; Y250-F520 AromaticContact CE1-CD2 3.68Å; Y250-F520 HydrophobicContact CE1-CD2 3.68Å; Y250-F520 AromaticContact CE1-CE2 3.91Å; Y250-F520 HydrophobicContact CE1-CE2 3.91Å; Y250-L531 HydrophobicContact CD2-CD1 4.09Å; Y250-L531 HydrophobicContact CE2-CD1 3.6Å; Y250-T535 HydrophobicContact CD2-CG2 3.92Å; Y250-T535 HydrophobicContact CG-CG2 4.36Å |
| 251 | L | 96.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -61.3 | 133.9 | 170.4 | 178.2 | 63.8 | 0 | 0 | 0 | 109.3 | F125 L211 R215 A247 V253 M256 W259 | F125-L251 HydrophobicContact CE2-CD2 4.3Å; L211-L251 HydrophobicContact CD2-CD2 4.36Å; R215-L251 PolarHBondContact NH1-O 2.95Å; R215-L251 PolarHBondContact NH2-O 3.49Å; A247-L251 PolarHBondContact O-N 2.82Å; L251-V253 PolarHBondContact O-N 3.34Å; L251-M256 HydrophobicContact CD2-CG 3.66Å; L251-M256 HydrophobicContact CD2-SD 3.88Å; L251-M256 HydrophobicContact CG-CG 4.03Å; L251-M256 HydrophobicContact CG-SD 4.27Å; L251-W259 HydrophobicContact CD1-CH2 3.87Å; L251-W259 HydrophobicContact CD1-CZ3 4.45Å; L251-W259 HydrophobicContact CD2-CH2 3.94Å; L251-W259 HydrophobicContact CD2-CZ3 3.74Å; L251-W259 HydrophobicContact CG-CH2 4.49Å |
| 252 | S | 96.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 20 Ų | 20 | 4% | 0.042 | 11% | 0.108 | C | C | . | . | trans | -61.7 | 130.4 | 179.8 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | Y250 E254 V255 M256 R377 D378 | Y250-S252 PolarHBondContact O-N 3.1Å; S252-E254 VanDerWaalsContact C-N 3.26Å; S252-E254 PolarHBondContact O-N 3.35Å; S252-E254 WeakPolarHBondContact OG-CB 3.45Å; S252-E254 PolarHBondContact OG-N 3.04Å; S252-V255 PolarHBondContact O-N 2.77Å; S252-V255 PolarHBondContact OG-N 3.43Å; S252-M256 WeakPolarHBondContact O-CG 3.32Å; S252-M256 PolarHBondContact O-N 2.82Å; S252-M256 VanDerWaalsContact O-N 3.17Å; S252-R377 PolarHBondContact OG-NH2 3.42Å; S252-D378 WeakPolarHBondContact CA-OD2 3.48Å; S252-D378 WeakPolarHBondContact CB-OD1 3.24Å; S252-D378 PolarHBondContact OG-OD1 3.49Å | ||
| 253 | V | 95.1 | Very high | 94 | Very high | 14 Ų | 14 | 14.4 Ų | 14.4 | 9% | 0.085 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.9 | -32.8 | 172.1 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | F212 R215 L251 M256 E257 D378 | F212-V253 HydrophobicContact CE2-CG1 3.95Å; R215-V253 HydrophobicContact CB-CG2 4.04Å; L251-V253 PolarHBondContact O-N 3.34Å; V253-M256 PolarHBondContact O-N 2.85Å; V253-E257 WeakPolarHBondContact O-CB 3.47Å; V253-E257 PolarHBondContact O-N 3.47Å; V253-D378 PolarHBondContact N-OD2 2.9Å |
| 254 | E | 93.8 | Very high | 94.4 | Very high | 21 Ų | 21 | 13.2 Ų | 13.2 | 10% | 0.098 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 176 | -170.2 | -81.3 | 165.5 | 0 | 0 | 111.6 | S252 E257 R258 | S252-E254 VanDerWaalsContact C-N 3.26Å; S252-E254 PolarHBondContact O-N 3.35Å; S252-E254 WeakPolarHBondContact OG-CB 3.45Å; S252-E254 PolarHBondContact OG-N 3.04Å; E254-E257 WeakPolarHBondContact O-CB 3.33Å; E254-E257 PolarHBondContact O-N 3.26Å; E254-R258 VanDerWaalsContact CD-CD 3.49Å; E254-R258 WeakPolarHBondContact O-CG 3.34Å; E254-R258 PolarHBondContact O-N 3.28Å; E254-R258 WeakPolarHBondContact OE1-CD 3.28Å; E254-R258 WeakPolarHBondContact OE2-CD 3.39Å; E254-R258 IonicContact OE2-NH1 2.69Å |
| 255 | V | 95.9 | Very high | 94.8 | Very high | 30 Ų | 30 | 8.8 Ų | 8.8 | 18% | 0.182 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -64.6 | -44.2 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | S252 E257 R258 W259 | S252-V255 PolarHBondContact O-N 2.77Å; S252-V255 PolarHBondContact OG-N 3.43Å; V255-E257 VanDerWaalsContact C-N 3.33Å; V255-E257 PolarHBondContact O-N 3.49Å; V255-R258 WeakPolarHBondContact O-CB 3.5Å; V255-R258 PolarHBondContact O-N 3.34Å; V255-W259 HydrophobicContact CG1-CD2 3.99Å; V255-W259 HydrophobicContact CG1-CH2 4Å; V255-W259 HydrophobicContact CG1-CZ2 3.3Å; V255-W259 VanDerWaalsContact O-CG 3.29Å; V255-W259 PolarHBondContact O-N 2.84Å |
| 256 | M | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 175.3 | -67 | 176.1 | 72.4 | 0 | 0 | 112 | L208 L211 F212 L251 S252 V253 R258 W259 I260 | L208-M256 HydrophobicContact CB-CE 4.19Å; L208-M256 HydrophobicContact CD2-CE 3.86Å; L211-M256 HydrophobicContact CB-CE 4.06Å; L211-M256 HydrophobicContact CD2-CE 3.69Å; L211-M256 HydrophobicContact CD2-SD 4.14Å; L211-M256 HydrophobicContact CG-CE 3.66Å; L211-M256 HydrophobicContact CG-SD 4.28Å; F212-M256 HydrophobicContact CB-CE 3.65Å; F212-M256 HydrophobicContact CD2-CB 3.93Å; F212-M256 HydrophobicContact CD2-CE 3.97Å; F212-M256 HydrophobicContact CD2-SD 4.45Å; F212-M256 HydrophobicContact CE2-CB 4.33Å; F212-M256 HydrophobicContact CG-CE 4.32Å; L251-M256 HydrophobicContact CD2-CG 3.66Å; L251-M256 HydrophobicContact CD2-SD 3.88Å; L251-M256 HydrophobicContact CG-CG 4.03Å; L251-M256 HydrophobicContact CG-SD 4.27Å; S252-M256 WeakPolarHBondContact O-CG 3.32Å; S252-M256 PolarHBondContact O-N 2.82Å; S252-M256 VanDerWaalsContact O-N 3.17Å; V253-M256 PolarHBondContact O-N 2.85Å; M256-R258 VanDerWaalsContact C-N 3.33Å; M256-R258 PolarHBondContact O-N 2.92Å; M256-W259 HydrophobicContact CG-CE3 4.28Å; M256-W259 HydrophobicContact CG-CZ3 4.25Å; M256-W259 PolarHBondContact O-N 3.44Å; M256-I260 WeakPolarHBondContact O-CB 3.49Å; M256-I260 WeakPolarHBondContact O-CD1 3.46Å; M256-I260 VanDerWaalsContact O-CG1 3.25Å; M256-I260 WeakPolarHBondContact O-CG1 3.44Å; M256-I260 PolarHBondContact O-N 2.91Å |
| 257 | E | 95.5 | Very high | 95.2 | Very high | 10 Ų | 10 | 8 Ų | 8 | 5% | 0.047 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60.1 | -43.6 | 176.6 | -178.7 | 175.9 | -144.6 | 0 | 0 | 111 | F212 V253 E254 V255 I260 I261 C284 S288 I291 R385 | F212-E257 HydrophobicContact CE2-CB 4.38Å; V253-E257 WeakPolarHBondContact O-CB 3.47Å; V253-E257 PolarHBondContact O-N 3.47Å; E254-E257 WeakPolarHBondContact O-CB 3.33Å; E254-E257 PolarHBondContact O-N 3.26Å; V255-E257 VanDerWaalsContact C-N 3.33Å; V255-E257 PolarHBondContact O-N 3.49Å; E257-I260 PolarHBondContact O-N 2.91Å; E257-I261 HydrophobicContact CG-CD1 3.62Å; E257-I261 HydrophobicContact CG-CG1 4.46Å; E257-I261 WeakPolarHBondContact O-CB 3.46Å; E257-I261 WeakPolarHBondContact O-CG1 3.37Å; E257-I261 PolarHBondContact O-N 3.39Å; E257-C284 HydrophobicContact CG-CB 4.45Å; E257-S288 VanDerWaalsContact CD-OG 3.23Å; E257-S288 WeakPolarHBondContact OE1-CB 3.5Å; E257-S288 PolarHBondContact OE1-N 2.99Å; E257-S288 VanDerWaalsContact OE1-N 3.12Å; E257-S288 PolarHBondContact OE1-OG 3.17Å; E257-S288 PolarHBondContact OE2-OG 2.91Å; E257-I291 HydrophobicContact CG-CG2 4.27Å; E257-R385 IonicContact OE2-NH2 3.29Å |
| 258 | R | 96 | Very high | 95.3 | Very high | 40 Ų | 40 | 9 Ų | 9 | 15% | 0.151 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61 | -47.7 | 174.1 | -76.8 | 174.4 | 57.5 | -173.7 | 5.3 | 112.7 | E254 V255 M256 I260 I261 I262 I291 T292 | E254-R258 VanDerWaalsContact CD-CD 3.49Å; E254-R258 WeakPolarHBondContact O-CG 3.34Å; E254-R258 PolarHBondContact O-N 3.28Å; E254-R258 WeakPolarHBondContact OE1-CD 3.28Å; E254-R258 WeakPolarHBondContact OE2-CD 3.39Å; E254-R258 IonicContact OE2-NH1 2.69Å; V255-R258 WeakPolarHBondContact O-CB 3.5Å; V255-R258 PolarHBondContact O-N 3.34Å; M256-R258 VanDerWaalsContact C-N 3.33Å; M256-R258 PolarHBondContact O-N 2.92Å; R258-I260 VanDerWaalsContact C-N 3.33Å; R258-I260 PolarHBondContact O-N 3.08Å; R258-I261 PolarHBondContact O-N 3.44Å; R258-I262 WeakPolarHBondContact O-CB 3.39Å; R258-I262 PolarHBondContact O-N 3.49Å; R258-I291 HydrophobicContact CG-CB 4.05Å; R258-I291 HydrophobicContact CG-CD1 4.31Å; R258-I291 HydrophobicContact CG-CG2 4.45Å; R258-T292 WeakPolarHBondContact CD-O 3.47Å; R258-T292 PolarHBondContact NE-O 3.31Å |
| 259 | W | 97.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 1% | 0.011 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -56.9 | -47.9 | 176.8 | -63.8 | -22.8 | 0 | 0 | 0 | 111.2 | I121 R129 L132 D133 L205 L208 L251 V255 M256 G263 | I121-W259 HydrophobicContact CD1-CZ3 4.34Å; R129-W259 HydrophobicContact CB-CH2 4.12Å; R129-W259 HydrophobicContact CB-CZ2 4.45Å; R129-W259 HydrophobicContact CG-CH2 3.79Å; R129-W259 HydrophobicContact CG-CZ2 3.82Å; L132-W259 HydrophobicContact CB-CB 4.35Å; L132-W259 HydrophobicContact CB-CD2 3.77Å; L132-W259 HydrophobicContact CB-CE3 4.35Å; L132-W259 HydrophobicContact CB-CG 3.76Å; L132-W259 HydrophobicContact CD1-CB 4.34Å; L132-W259 HydrophobicContact CD1-CD2 3.9Å; L132-W259 HydrophobicContact CD1-CE3 3.65Å; L132-W259 HydrophobicContact CD1-CG 4.23Å; L132-W259 HydrophobicContact CD1-CZ3 4.19Å; L132-W259 HydrophobicContact CG-CD2 4.49Å; D133-W259 VanDerWaalsContact OD1-CE2 3.29Å; D133-W259 VanDerWaalsContact OD1-CZ2 3.25Å; D133-W259 WeakPolarHBondContact OD1-CZ2 3.35Å; D133-W259 PolarHBondContact OD1-NE1 2.91Å; L205-W259 HydrophobicContact CD2-CB 4.25Å; L205-W259 WeakPolarHBondContact CD2-O 3.35Å; L208-W259 HydrophobicContact CD1-CB 4.43Å; L208-W259 HydrophobicContact CD1-CE3 3.95Å; L208-W259 HydrophobicContact CD2-CE3 4Å; L208-W259 HydrophobicContact CD2-CZ3 3.99Å; L251-W259 HydrophobicContact CD1-CH2 3.87Å; L251-W259 HydrophobicContact CD1-CZ3 4.45Å; L251-W259 HydrophobicContact CD2-CH2 3.94Å; L251-W259 HydrophobicContact CD2-CZ3 3.74Å; L251-W259 HydrophobicContact CG-CH2 4.49Å; V255-W259 HydrophobicContact CG1-CD2 3.99Å; V255-W259 HydrophobicContact CG1-CH2 4Å; V255-W259 HydrophobicContact CG1-CZ2 3.3Å; V255-W259 VanDerWaalsContact O-CG 3.29Å; V255-W259 PolarHBondContact O-N 2.84Å; M256-W259 HydrophobicContact CG-CE3 4.28Å; M256-W259 HydrophobicContact CG-CZ3 4.25Å; M256-W259 PolarHBondContact O-N 3.44Å; W259-G263 WeakPolarHBondContact O-CA 3.5Å; W259-G263 PolarHBondContact O-N 3.27Å |
| 260 | I | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.5 | -47 | -177.4 | -66.9 | 164.3 | 0 | 0 | 0 | 111.3 | L205 L208 F212 M256 E257 R258 F264 L280 C284 | L205-I260 HydrophobicContact CD2-CG1 4.48Å; L208-I260 HydrophobicContact CB-CD1 4.41Å; L208-I260 HydrophobicContact CD1-CD1 4.25Å; L208-I260 HydrophobicContact CD1-CG1 3.85Å; F212-I260 HydrophobicContact CB-CD1 4.25Å; F212-I260 HydrophobicContact CD1-CD1 4.25Å; F212-I260 HydrophobicContact CD2-CD1 3.94Å; F212-I260 HydrophobicContact CE2-CD1 4.37Å; F212-I260 HydrophobicContact CG-CD1 3.87Å; M256-I260 WeakPolarHBondContact O-CB 3.49Å; M256-I260 WeakPolarHBondContact O-CD1 3.46Å; M256-I260 VanDerWaalsContact O-CG1 3.25Å; M256-I260 WeakPolarHBondContact O-CG1 3.44Å; M256-I260 PolarHBondContact O-N 2.91Å; E257-I260 PolarHBondContact O-N 2.91Å; R258-I260 VanDerWaalsContact C-N 3.33Å; R258-I260 PolarHBondContact O-N 3.08Å; I260-F264 HydrophobicContact CG2-CD2 3.65Å; I260-F264 HydrophobicContact CG2-CE2 3.77Å; I260-F264 WeakPolarHBondContact O-CB 3.48Å; I260-F264 VanDerWaalsContact O-CD2 3.24Å; I260-F264 WeakPolarHBondContact O-CD2 3.45Å; I260-F264 PolarHBondContact O-N 2.91Å; I260-F264 VanDerWaalsContact O-N 3.1Å; I260-L280 HydrophobicContact CD1-CD1 3.88Å; I260-L280 HydrophobicContact CD1-CD2 4.22Å; I260-L280 HydrophobicContact CD1-CG 4.04Å; I260-L280 HydrophobicContact CG1-CD2 4.32Å; I260-L280 HydrophobicContact CG1-CG 4.39Å; I260-L280 HydrophobicContact CG2-CG 4.08Å; I260-C284 HydrophobicContact CB-CB 4.5Å; I260-C284 WeakPolarHBondContact CD1-SG 3.27Å; I260-C284 HydrophobicContact CG2-CB 3.98Å; I260-C284 WeakPolarHBondContact CG2-SG 3.37Å |
| 261 | I | 96 | Very high | 94.8 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66.6 | -51.9 | -177.5 | -71.4 | 169.6 | 0 | 0 | 0 | 110.8 | E257 R258 L265 C284 I291 V301 | E257-I261 HydrophobicContact CG-CD1 3.62Å; E257-I261 HydrophobicContact CG-CG1 4.46Å; E257-I261 WeakPolarHBondContact O-CB 3.46Å; E257-I261 WeakPolarHBondContact O-CG1 3.37Å; E257-I261 PolarHBondContact O-N 3.39Å; R258-I261 PolarHBondContact O-N 3.44Å; I261-L265 VanDerWaalsContact O-CB 3.32Å; I261-L265 WeakPolarHBondContact O-CB 3.16Å; I261-L265 PolarHBondContact O-N 3.45Å; I261-C284 HydrophobicContact CD1-CB 4.31Å; I261-C284 HydrophobicContact CG1-CB 3.97Å; I261-I291 HydrophobicContact CB-CD1 4.19Å; I261-I291 HydrophobicContact CD1-CG2 3.68Å; I261-I291 HydrophobicContact CG2-CD1 3.82Å; I261-V301 HydrophobicContact CD1-CG1 4.02Å; I261-V301 HydrophobicContact CD1-CG2 4.02Å; I261-V301 HydrophobicContact CG1-CG1 4.39Å; I261-V301 HydrophobicContact CG2-CG1 3.73Å; I261-V301 HydrophobicContact CG2-CG2 4.26Å |
| 262 | I | 96.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.8 | -44.6 | -177.6 | -70.1 | 168.9 | 0 | 0 | 0 | 110.4 | V136 T139 R258 F264 L265 L266 I291 L293 | V136-I262 HydrophobicContact CB-CD1 4.44Å; V136-I262 HydrophobicContact CG1-CD1 3.8Å; V136-I262 HydrophobicContact CG2-CB 4.05Å; V136-I262 HydrophobicContact CG2-CD1 4.15Å; V136-I262 HydrophobicContact CG2-CG2 4.12Å; T139-I262 HydrophobicContact CG2-CG2 3.71Å; R258-I262 WeakPolarHBondContact O-CB 3.39Å; R258-I262 PolarHBondContact O-N 3.49Å; I262-F264 PolarHBondContact O-N 2.97Å; I262-L265 WeakPolarHBondContact O-CB 3.41Å; I262-L265 PolarHBondContact O-N 3.16Å; I262-L265 VanDerWaalsContact O-N 3.11Å; I262-L266 HydrophobicContact CG2-CD1 4.07Å; I262-L266 HydrophobicContact CG2-CG 4.42Å; I262-L266 WeakPolarHBondContact O-CG 3.28Å; I262-L266 PolarHBondContact O-N 2.94Å; I262-I291 HydrophobicContact CD1-CD1 4.01Å; I262-I291 HydrophobicContact CG1-CD1 3.93Å; I262-L293 HydrophobicContact CD1-CD2 4.4Å |
| 263 | G | 96 | Very high | 94.1 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | W259 L266 C267 | W259-G263 WeakPolarHBondContact O-CA 3.5Å; W259-G263 PolarHBondContact O-N 3.27Å; G263-L266 PolarHBondContact O-N 3.02Å; G263-C267 WeakPolarHBondContact O-CB 3.38Å; G263-C267 PolarHBondContact O-N 3.09Å |
| 264 | F | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -76 | -21.7 | 174.3 | -72.9 | -48.1 | 0 | 0 | 0 | 114.1 | L205 I260 I262 H268 C270 L271 C277 L280 W281 | L205-F264 HydrophobicContact CB-CE1 4.21Å; L205-F264 HydrophobicContact CB-CE2 4.32Å; L205-F264 HydrophobicContact CB-CZ 3.84Å; L205-F264 HydrophobicContact CD1-CD1 3.77Å; L205-F264 HydrophobicContact CD1-CD2 4.21Å; L205-F264 HydrophobicContact CD1-CE1 3.75Å; L205-F264 HydrophobicContact CD1-CE2 4.21Å; L205-F264 HydrophobicContact CD1-CG 4Å; L205-F264 HydrophobicContact CD1-CZ 3.98Å; I260-F264 HydrophobicContact CG2-CD2 3.65Å; I260-F264 HydrophobicContact CG2-CE2 3.77Å; I260-F264 WeakPolarHBondContact O-CB 3.48Å; I260-F264 VanDerWaalsContact O-CD2 3.24Å; I260-F264 WeakPolarHBondContact O-CD2 3.45Å; I260-F264 PolarHBondContact O-N 2.91Å; I260-F264 VanDerWaalsContact O-N 3.1Å; I262-F264 PolarHBondContact O-N 2.97Å; F264-H268 VanDerWaalsContact O-CA 3.28Å; F264-H268 WeakPolarHBondContact O-CA 3.4Å; F264-H268 PolarHBondContact O-N 3.06Å; F264-C270 WeakPolarHBondContact CD1-SG 3.31Å; F264-C270 VanDerWaalsContact CE1-SG 3.54Å; F264-L271 HydrophobicContact CB-CD1 4.43Å; F264-L271 HydrophobicContact CB-CD2 4.1Å; F264-L271 HydrophobicContact CD1-CD2 4.03Å; F264-L271 HydrophobicContact CD2-CD2 4.5Å; F264-L271 HydrophobicContact CG-CD2 3.97Å; F264-C277 HydrophobicContact CD1-CB 4.44Å; F264-C277 HydrophobicContact CE1-CB 3.63Å; F264-C277 HydrophobicContact CZ-CB 3.79Å; F264-L280 HydrophobicContact CE2-CB 4.23Å; F264-L280 HydrophobicContact CE2-CD2 4.11Å; F264-L280 HydrophobicContact CE2-CG 4.22Å; F264-L280 HydrophobicContact CZ-CD2 4.41Å; F264-W281 HydrophobicContact CB-CG 4.23Å; F264-W281 HydrophobicContact CD2-CB 3.67Å; F264-W281 HydrophobicContact CD2-CG 4.16Å; F264-W281 HydrophobicContact CE2-CB 4.17Å; F264-W281 HydrophobicContact CG-CB 4.31Å |
| 265 | L | 93.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.7 | -41.7 | 169.7 | -170 | 68.9 | 0 | 0 | 0 | 110.7 | L187 T191 I261 I262 V304 T305 L308 F309 | L187-L265 HydrophobicContact CD2-CD2 3.66Å; L187-L265 HydrophobicContact CD2-CG 4.48Å; T191-L265 WeakPolarHBondContact CG2-O 3.42Å; I261-L265 VanDerWaalsContact O-CB 3.32Å; I261-L265 WeakPolarHBondContact O-CB 3.16Å; I261-L265 PolarHBondContact O-N 3.45Å; I262-L265 WeakPolarHBondContact O-CB 3.41Å; I262-L265 PolarHBondContact O-N 3.16Å; I262-L265 VanDerWaalsContact O-N 3.11Å; L265-V304 HydrophobicContact CD2-CG1 4.39Å; L265-T305 HydrophobicContact CD1-CG2 4.43Å; L265-L308 HydrophobicContact CD1-CD2 3.57Å; L265-L308 HydrophobicContact CG-CD2 4.01Å; L265-F309 HydrophobicContact CD1-CE1 4.5Å |
| 266 | L | 94 | Very high | 93.5 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.6 | -48.3 | 177.3 | -62.7 | 172 | 0 | 0 | 0 | 112 | I135 T139 L190 F194 I262 G263 H268 | I135-L266 HydrophobicContact CG2-CD1 3.52Å; T139-L266 HydrophobicContact CG2-CD2 4.44Å; T139-L266 WeakPolarHBondContact OG1-CD1 3.11Å; L190-L266 HydrophobicContact CB-CD2 3.69Å; F194-L266 HydrophobicContact CB-CB 4.02Å; F194-L266 HydrophobicContact CD1-CB 4.32Å; F194-L266 HydrophobicContact CD1-CD1 4.07Å; F194-L266 HydrophobicContact CD2-CB 4.44Å; F194-L266 HydrophobicContact CD2-CD1 4.09Å; F194-L266 HydrophobicContact CD2-CD2 4Å; F194-L266 HydrophobicContact CD2-CG 4.41Å; F194-L266 HydrophobicContact CE1-CD1 3.96Å; F194-L266 HydrophobicContact CE2-CD1 3.96Å; F194-L266 HydrophobicContact CE2-CD2 4.32Å; F194-L266 HydrophobicContact CG-CB 4.01Å; F194-L266 HydrophobicContact CG-CD1 4.13Å; F194-L266 HydrophobicContact CG-CD2 4.42Å; F194-L266 HydrophobicContact CG-CG 4.43Å; F194-L266 HydrophobicContact CZ-CD1 3.89Å; I262-L266 HydrophobicContact CG2-CD1 4.07Å; I262-L266 HydrophobicContact CG2-CG 4.42Å; I262-L266 WeakPolarHBondContact O-CG 3.28Å; I262-L266 PolarHBondContact O-N 2.94Å; G263-L266 PolarHBondContact O-N 3.02Å; L266-H268 PolarHBondContact O-N 3.46Å |
| 267 | C | 92 | Very high | 93.3 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 44.4 | -175.3 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | T198 V201 G263 G269 C270 | T198-C267 HydrophobicContact CG2-CB 4.21Å; V201-C267 VanDerWaalsContact CB-SG 3.54Å; V201-C267 HydrophobicContact CG1-CB 4.38Å; G263-C267 WeakPolarHBondContact O-CB 3.38Å; G263-C267 PolarHBondContact O-N 3.09Å; C267-G269 PolarHBondContact O-N 3.19Å; C267-C270 PolarHBondContact O-N 3.22Å; C267-C270 PolarHBondContact O-SG 2.86Å |
| 268 | H | 91.9 | Very high | 93.2 | Very high | 31 Ų | 31 | 27.1 Ų | 27.1 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.6 | -169 | 60.2 | 77.6 | 0 | 0 | 0 | 115.2 | F264 L266 C270 L271 F309 Y315 | F264-H268 VanDerWaalsContact O-CA 3.28Å; F264-H268 WeakPolarHBondContact O-CA 3.4Å; F264-H268 PolarHBondContact O-N 3.06Å; L266-H268 PolarHBondContact O-N 3.46Å; H268-C270 PolarHBondContact O-N 2.92Å; H268-L271 WeakPolarHBondContact O-CB 3.39Å; H268-L271 PolarHBondContact O-N 3.44Å; H268-L271 VanDerWaalsContact O-N 3.14Å; H268-F309 HydrophobicContact CB-CE1 3.66Å; H268-F309 HydrophobicContact CB-CZ 3.74Å; H268-Y315 HydrophobicContact CB-CE1 4.19Å; H268-Y315 AromaticContact CE1-CZ 3.99Å; H268-Y315 PolarHBondContact CE1-OH 3.33Å; H268-Y315 AromaticContact ND1-CE1 3.69Å; H268-Y315 AromaticContact ND1-CZ 3.25Å; H268-Y315 PolarHBondContact ND1-OH 3.5Å |
| 269 | G | 90 | Very high | 93.1 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 34% | 0.34 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C267 L271 N272 S273 | C267-G269 PolarHBondContact O-N 3.19Å; G269-L271 VanDerWaalsContact C-N 3.3Å; G269-L271 PolarHBondContact O-N 3.03Å; G269-N272 PolarHBondContact O-N 3.02Å; G269-S273 PolarHBondContact O-OG 3.28Å; G269-S273 VanDerWaalsContact O-OG 3.06Å |
| 270 | C | 91.4 | Very high | 93 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.8 | -22.1 | 178.5 | 73.9 | 0 | 0 | 0 | 0 | 113.3 | T198 F264 C267 H268 N272 S273 N274 | T198-C270 HydrophobicContact CG2-CB 4.41Å; F264-C270 WeakPolarHBondContact CD1-SG 3.31Å; F264-C270 VanDerWaalsContact CE1-SG 3.54Å; C267-C270 PolarHBondContact O-N 3.22Å; C267-C270 PolarHBondContact O-SG 2.86Å; H268-C270 PolarHBondContact O-N 2.92Å; C270-N272 PolarHBondContact O-N 3.31Å; C270-S273 WeakPolarHBondContact CA-OG 3.34Å; C270-S273 PolarHBondContact O-N 2.65Å; C270-S273 PolarHBondContact O-OG 2.89Å; C270-N274 PolarHBondContact O-N 2.98Å |
| 271 | L | 92.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.2 | -22.3 | 179.3 | -61.3 | 174.7 | 0 | 0 | 0 | 113.2 | F264 H268 G269 C277 W281 F309 R318 | F264-L271 HydrophobicContact CB-CD1 4.43Å; F264-L271 HydrophobicContact CB-CD2 4.1Å; F264-L271 HydrophobicContact CD1-CD2 4.03Å; F264-L271 HydrophobicContact CD2-CD2 4.5Å; F264-L271 HydrophobicContact CG-CD2 3.97Å; H268-L271 WeakPolarHBondContact O-CB 3.39Å; H268-L271 PolarHBondContact O-N 3.44Å; H268-L271 VanDerWaalsContact O-N 3.14Å; G269-L271 VanDerWaalsContact C-N 3.3Å; G269-L271 PolarHBondContact O-N 3.03Å; L271-C277 HydrophobicContact CD2-CB 4.34Å; L271-W281 HydrophobicContact CD1-CD2 4.02Å; L271-W281 HydrophobicContact CD1-CE3 4.14Å; L271-W281 HydrophobicContact CD1-CH2 4.25Å; L271-W281 HydrophobicContact CD1-CZ2 4.11Å; L271-W281 HydrophobicContact CD1-CZ3 4.29Å; L271-W281 HydrophobicContact CD2-CB 3.8Å; L271-W281 HydrophobicContact CD2-CD2 4.03Å; L271-W281 HydrophobicContact CD2-CE3 4.16Å; L271-W281 HydrophobicContact CD2-CG 3.93Å; L271-F309 HydrophobicContact CD1-CE2 3.89Å; L271-F309 HydrophobicContact CD1-CZ 3.72Å; L271-R318 PolarHBondContact O-NE 3.4Å; L271-R318 PolarHBondContact O-NH2 2.63Å; L271-R318 VanDerWaalsContact O-NH2 3.14Å |
| 272 | N | 90.1 | Very high | 92.9 | Very high | 72 Ų | 72 | 33.1 Ų | 33.1 | 39% | 0.385 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -94.1 | -28.2 | 175.7 | -71.7 | -29.9 | 0 | 0 | 0 | 112.7 | G269 C270 Y315 R318 | G269-N272 PolarHBondContact O-N 3.02Å; C270-N272 PolarHBondContact O-N 3.31Å; N272-Y315 WeakPolarHBondContact ND2-CE1 3.46Å; N272-R318 WeakPolarHBondContact OD1-CG 3.48Å; N272-R318 PolarHBondContact OD1-NE 3.35Å |
| 273 | S | 88.4 | Confident | 92.7 | Very high | 101 Ų | 101 | 35.6 Ų | 35.6 | 71% | 0.706 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -94.3 | -27.4 | -175.4 | 48.6 | 0 | 0 | 0 | 0 | 113.9 | G269 C270 | G269-S273 PolarHBondContact O-OG 3.28Å; G269-S273 VanDerWaalsContact O-OG 3.06Å; C270-S273 WeakPolarHBondContact CA-OG 3.34Å; C270-S273 PolarHBondContact O-N 2.65Å; C270-S273 PolarHBondContact O-OG 2.89Å |
| 274 | N | 90.8 | Very high | 92.5 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | trans | -123.9 | 118.7 | -179.7 | -172.1 | -19.7 | 0 | 0 | 0 | 112 | L206 C270 Q276 C277 Q278 | L206-N274 WeakPolarHBondContact CD1-ND2 3.43Å; C270-N274 PolarHBondContact O-N 2.98Å; N274-Q276 VanDerWaalsContact C-N 3.33Å; N274-Q276 PolarHBondContact O-N 3.45Å; N274-Q276 WeakPolarHBondContact OD1-CB 3.39Å; N274-Q276 PolarHBondContact OD1-N 3.22Å; N274-C277 HydrophobicContact CB-CB 4.25Å; N274-C277 PolarHBondContact O-N 3.43Å; N274-Q278 PolarHBondContact O-N 3.15Å | ||
| 275 | S | 90.8 | Very high | 92.5 | Very high | 72 Ų | 72 | 35.5 Ų | 35.5 | 50% | 0.503 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.7 | -28.9 | 179.9 | 71.1 | 0 | 0 | 0 | 0 | 114 | Q278 K279 | S275-Q278 PolarHBondContact O-N 3.49Å; S275-K279 WeakPolarHBondContact O-CG 3.23Å; S275-K279 PolarHBondContact O-N 3.07Å |
| 276 | Q | 92.6 | Very high | 92.4 | Very high | 106 Ų | 106 | 38 Ų | 38 | 50% | 0.495 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.9 | -39.3 | 177.5 | -70 | -177.5 | -32.4 | 0 | 0 | 111.5 | L206 N274 Q278 K279 L280 | L206-Q276 HydrophobicContact CD2-CB 3.8Å; N274-Q276 VanDerWaalsContact C-N 3.33Å; N274-Q276 PolarHBondContact O-N 3.45Å; N274-Q276 WeakPolarHBondContact OD1-CB 3.39Å; N274-Q276 PolarHBondContact OD1-N 3.22Å; Q276-Q278 VanDerWaalsContact C-N 3.33Å; Q276-Q278 PolarHBondContact O-N 2.95Å; Q276-K279 PolarHBondContact O-N 3.15Å; Q276-L280 PolarHBondContact O-N 2.98Å |
| 277 | C | 92.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 173 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | F264 L271 N274 K279 L280 W281 | F264-C277 HydrophobicContact CD1-CB 4.44Å; F264-C277 HydrophobicContact CE1-CB 3.63Å; F264-C277 HydrophobicContact CZ-CB 3.79Å; L271-C277 HydrophobicContact CD2-CB 4.34Å; N274-C277 HydrophobicContact CB-CB 4.25Å; N274-C277 PolarHBondContact O-N 3.43Å; C277-K279 PolarHBondContact O-N 3.35Å; C277-L280 PolarHBondContact O-N 3.25Å; C277-W281 VanDerWaalsContact O-CB 3.28Å; C277-W281 WeakPolarHBondContact O-CB 3.3Å; C277-W281 PolarHBondContact O-N 2.87Å |
| 278 | Q | 93.5 | Very high | 92.1 | Very high | 42 Ų | 42 | 38.2 Ų | 38.2 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 177.4 | -170.8 | -159.2 | -22.1 | 0 | 0 | 111.7 | N274 S275 Q276 W281 K282 R318 D321 | N274-Q278 PolarHBondContact O-N 3.15Å; S275-Q278 PolarHBondContact O-N 3.49Å; Q276-Q278 VanDerWaalsContact C-N 3.33Å; Q276-Q278 PolarHBondContact O-N 2.95Å; Q278-W281 PolarHBondContact O-N 3.22Å; Q278-K282 WeakPolarHBondContact O-CB 3.14Å; Q278-K282 WeakPolarHBondContact O-CG 3.36Å; Q278-K282 PolarHBondContact O-N 3.12Å; Q278-R318 VanDerWaalsContact CD-CZ 3.42Å; Q278-D321 PolarHBondContact NE2-OD2 3.35Å; Q278-D321 VanDerWaalsContact NE2-OD2 3.16Å |
| 279 | K | 93.9 | Very high | 92.1 | Very high | 135 Ų | 135 | 37.7 Ų | 37.7 | 59% | 0.587 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.8 | -47.4 | 179.3 | -75.2 | 175.7 | -179.8 | -178.2 | 0 | 112.2 | S275 Q276 C277 W281 K282 L283 | S275-K279 WeakPolarHBondContact O-CG 3.23Å; S275-K279 PolarHBondContact O-N 3.07Å; Q276-K279 PolarHBondContact O-N 3.15Å; C277-K279 PolarHBondContact O-N 3.35Å; K279-W281 VanDerWaalsContact C-N 3.34Å; K279-W281 PolarHBondContact O-N 2.82Å; K279-K282 PolarHBondContact O-N 3.45Å; K279-L283 PolarHBondContact O-N 2.99Å |
| 280 | L | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | 178.6 | -175.2 | 53 | 0 | 0 | 0 | 111.2 | L205 H209 F212 I260 F264 Q276 C277 L283 C284 | L205-L280 VanDerWaalsContact O-CD2 3.25Å; L205-L280 WeakPolarHBondContact O-CD2 3.32Å; H209-L280 HydrophobicContact CB-CD1 4.49Å; H209-L280 HydrophobicContact CB-CD2 4.19Å; F212-L280 HydrophobicContact CB-CD1 4.2Å; F212-L280 HydrophobicContact CD1-CD1 3.96Å; F212-L280 HydrophobicContact CG-CD1 4.37Å; I260-L280 HydrophobicContact CD1-CD1 3.88Å; I260-L280 HydrophobicContact CD1-CD2 4.22Å; I260-L280 HydrophobicContact CD1-CG 4.04Å; I260-L280 HydrophobicContact CG1-CD2 4.32Å; I260-L280 HydrophobicContact CG1-CG 4.39Å; I260-L280 HydrophobicContact CG2-CG 4.08Å; F264-L280 HydrophobicContact CE2-CB 4.23Å; F264-L280 HydrophobicContact CE2-CD2 4.11Å; F264-L280 HydrophobicContact CE2-CG 4.22Å; F264-L280 HydrophobicContact CZ-CD2 4.41Å; Q276-L280 PolarHBondContact O-N 2.98Å; C277-L280 PolarHBondContact O-N 3.25Å; L280-L283 WeakPolarHBondContact O-CB 3.36Å; L280-L283 PolarHBondContact O-N 3.07Å; L280-C284 PolarHBondContact O-N 3.11Å |
| 281 | W | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 178.1 | 179.4 | 65.9 | 0 | 0 | 0 | 112.7 | F264 L271 C277 Q278 K279 L283 C284 L285 T305 F309 D321 V322 | F264-W281 HydrophobicContact CB-CG 4.23Å; F264-W281 HydrophobicContact CD2-CB 3.67Å; F264-W281 HydrophobicContact CD2-CG 4.16Å; F264-W281 HydrophobicContact CE2-CB 4.17Å; F264-W281 HydrophobicContact CG-CB 4.31Å; L271-W281 HydrophobicContact CD1-CD2 4.02Å; L271-W281 HydrophobicContact CD1-CE3 4.14Å; L271-W281 HydrophobicContact CD1-CH2 4.25Å; L271-W281 HydrophobicContact CD1-CZ2 4.11Å; L271-W281 HydrophobicContact CD1-CZ3 4.29Å; L271-W281 HydrophobicContact CD2-CB 3.8Å; L271-W281 HydrophobicContact CD2-CD2 4.03Å; L271-W281 HydrophobicContact CD2-CE3 4.16Å; L271-W281 HydrophobicContact CD2-CG 3.93Å; C277-W281 VanDerWaalsContact O-CB 3.28Å; C277-W281 WeakPolarHBondContact O-CB 3.3Å; C277-W281 PolarHBondContact O-N 2.87Å; Q278-W281 PolarHBondContact O-N 3.22Å; K279-W281 VanDerWaalsContact C-N 3.34Å; K279-W281 PolarHBondContact O-N 2.82Å; W281-L283 VanDerWaalsContact C-N 3.29Å; W281-L283 PolarHBondContact O-N 2.96Å; W281-C284 PolarHBondContact O-N 2.78Å; W281-L285 HydrophobicContact CD2-CD1 3.81Å; W281-L285 HydrophobicContact CD2-CG 4.27Å; W281-L285 HydrophobicContact CE3-CD1 3.91Å; W281-L285 HydrophobicContact CH2-CD1 3.8Å; W281-L285 HydrophobicContact CZ2-CD1 3.7Å; W281-L285 HydrophobicContact CZ2-CG 4.5Å; W281-L285 HydrophobicContact CZ3-CD1 3.89Å; W281-L285 WeakPolarHBondContact O-CG 3.4Å; W281-L285 PolarHBondContact O-N 3.36Å; W281-T305 HydrophobicContact CH2-CG2 4.12Å; W281-T305 HydrophobicContact CZ2-CG2 3.52Å; W281-F309 HydrophobicContact CH2-CD2 4.24Å; W281-F309 AromaticContact CH2-CE2 3.57Å; W281-F309 HydrophobicContact CH2-CE2 3.57Å; W281-F309 HydrophobicContact CH2-CZ 4.45Å; W281-F309 AromaticContact CZ2-CE2 3.74Å; W281-F309 HydrophobicContact CZ2-CE2 3.74Å; W281-F309 HydrophobicContact CZ2-CZ 4.21Å; W281-D321 HydrophobicContact CZ3-CB 4.45Å; W281-V322 HydrophobicContact CH2-CG2 3.47Å; W281-V322 VanDerWaalsContact CH2-CG2 3.47Å; W281-V322 HydrophobicContact CZ2-CG2 4.01Å; W281-V322 HydrophobicContact CZ3-CG2 4.36Å |
| 282 | K | 94.1 | Very high | 92.6 | Very high | 35 Ų | 35 | 38.2 Ų | 38.2 | 15% | 0.152 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.2 | -39.3 | 175.5 | -76.5 | -170.2 | 74.5 | 160 | 0 | 112 | Q278 K279 C284 L285 Q286 D321 E324 | Q278-K282 WeakPolarHBondContact O-CB 3.14Å; Q278-K282 WeakPolarHBondContact O-CG 3.36Å; Q278-K282 PolarHBondContact O-N 3.12Å; K279-K282 PolarHBondContact O-N 3.45Å; K282-C284 VanDerWaalsContact C-N 3.34Å; K282-C284 PolarHBondContact O-N 2.93Å; K282-L285 PolarHBondContact O-N 2.88Å; K282-Q286 WeakPolarHBondContact O-CB 3.25Å; K282-Q286 VanDerWaalsContact O-CG 3.28Å; K282-Q286 WeakPolarHBondContact O-CG 3.42Å; K282-Q286 PolarHBondContact O-N 2.83Å; K282-D321 HydrophobicContact CD-CB 4.12Å; K282-D321 HydrophobicContact CG-CB 4.4Å; K282-D321 IonicContact NZ-OD1 3.5Å; K282-D321 PolarHBondContact NZ-OD1 2.92Å; K282-E324 IonicContact NZ-OE2 3.45Å; K282-E324 PolarHBondContact NZ-OE2 3.05Å |
| 283 | L | 92.9 | Very high | 92.7 | Very high | 54 Ų | 54 | 34.9 Ų | 34.9 | 28% | 0.283 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.7 | -41 | 178 | -171.9 | 67.2 | 0 | 0 | 0 | 111.9 | F212 V213 K279 L280 W281 Q286 G287 | F212-L283 HydrophobicContact CD1-CD2 3.82Å; F212-L283 HydrophobicContact CD1-CG 4.39Å; F212-L283 HydrophobicContact CE1-CD2 3.94Å; F212-L283 HydrophobicContact CE1-CG 4.01Å; V213-L283 HydrophobicContact CG2-CD2 3.65Å; K279-L283 PolarHBondContact O-N 2.99Å; L280-L283 WeakPolarHBondContact O-CB 3.36Å; L280-L283 PolarHBondContact O-N 3.07Å; W281-L283 VanDerWaalsContact C-N 3.29Å; W281-L283 PolarHBondContact O-N 2.96Å; L283-Q286 PolarHBondContact O-N 3.5Å; L283-G287 PolarHBondContact O-N 3.38Å |
| 284 | C | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.9 | -41.1 | 173.7 | -67.5 | 0 | 0 | 0 | 0 | 112.5 | F212 E257 I260 I261 L280 W281 K282 Q286 G287 | F212-C284 WeakPolarHBondContact CE1-SG 3.36Å; F212-C284 HydrophobicContact CZ-CB 4.47Å; F212-C284 WeakPolarHBondContact CZ-SG 3.49Å; E257-C284 HydrophobicContact CG-CB 4.45Å; I260-C284 HydrophobicContact CB-CB 4.5Å; I260-C284 WeakPolarHBondContact CD1-SG 3.27Å; I260-C284 HydrophobicContact CG2-CB 3.98Å; I260-C284 WeakPolarHBondContact CG2-SG 3.37Å; I261-C284 HydrophobicContact CD1-CB 4.31Å; I261-C284 HydrophobicContact CG1-CB 3.97Å; L280-C284 PolarHBondContact O-N 3.11Å; W281-C284 PolarHBondContact O-N 2.78Å; K282-C284 VanDerWaalsContact C-N 3.34Å; K282-C284 PolarHBondContact O-N 2.93Å; C284-Q286 PolarHBondContact O-N 3.5Å; C284-G287 PolarHBondContact O-N 3.14Å |
| 285 | L | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.9 | -33.5 | 174.3 | -70.8 | -178.3 | 0 | 0 | 0 | 111.5 | W281 K282 G287 V301 H302 V322 V329 | W281-L285 HydrophobicContact CD2-CD1 3.81Å; W281-L285 HydrophobicContact CD2-CG 4.27Å; W281-L285 HydrophobicContact CE3-CD1 3.91Å; W281-L285 HydrophobicContact CH2-CD1 3.8Å; W281-L285 HydrophobicContact CZ2-CD1 3.7Å; W281-L285 HydrophobicContact CZ2-CG 4.5Å; W281-L285 HydrophobicContact CZ3-CD1 3.89Å; W281-L285 WeakPolarHBondContact O-CG 3.4Å; W281-L285 PolarHBondContact O-N 3.36Å; K282-L285 PolarHBondContact O-N 2.88Å; L285-G287 VanDerWaalsContact C-N 3.28Å; L285-G287 PolarHBondContact O-N 3.49Å; L285-V301 HydrophobicContact CD2-CG1 3.39Å; L285-H302 PolarHBondContact O-CE1 3.47Å; L285-H302 PolarHBondContact O-NE2 3.27Å; L285-V322 HydrophobicContact CD1-CG2 4.07Å; L285-V329 WeakPolarHBondContact O-CG2 3.37Å |
| 286 | Q | 92.6 | Very high | 93 | Very high | 55 Ų | 55 | 27.6 Ų | 27.6 | 26% | 0.257 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -11.3 | 177.4 | -73 | 173 | -13 | 0 | 0 | 114.3 | K282 L283 C284 H328 V329 | K282-Q286 WeakPolarHBondContact O-CB 3.25Å; K282-Q286 VanDerWaalsContact O-CG 3.28Å; K282-Q286 WeakPolarHBondContact O-CG 3.42Å; K282-Q286 PolarHBondContact O-N 2.83Å; L283-Q286 PolarHBondContact O-N 3.5Å; C284-Q286 PolarHBondContact O-N 3.5Å; Q286-H328 HydrophobicContact CG-CB 4.38Å; Q286-V329 VanDerWaalsContact C-CG2 3.45Å; Q286-V329 VanDerWaalsContact CA-CG2 3.44Å; Q286-V329 WeakPolarHBondContact O-CG2 3.48Å |
| 287 | G | 87.6 | Confident | 93 | Very high | 8 Ų | 8 | 23.1 Ų | 23.1 | 8% | 0.082 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -57.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | L283 C284 L285 S333 | L283-G287 PolarHBondContact O-N 3.38Å; C284-G287 PolarHBondContact O-N 3.14Å; L285-G287 VanDerWaalsContact C-N 3.28Å; L285-G287 PolarHBondContact O-N 3.49Å; G287-S333 PolarHBondContact O-OG 3.33Å |
| 288 | S | 90.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.007 | 12% | 0.115 | C | C | . | . | trans | -127.2 | 148.3 | -174.8 | -62.3 | 0 | 0 | 0 | 0 | 114.4 | E257 H302 W382 R385 | E257-S288 VanDerWaalsContact CD-OG 3.23Å; E257-S288 WeakPolarHBondContact OE1-CB 3.5Å; E257-S288 PolarHBondContact OE1-N 2.99Å; E257-S288 VanDerWaalsContact OE1-N 3.12Å; E257-S288 PolarHBondContact OE1-OG 3.17Å; E257-S288 PolarHBondContact OE2-OG 2.91Å; S288-H302 PolarHBondContact O-CE1 3.45Å; S288-W382 PolarHBondContact OG-NE1 3.16Å; S288-R385 PolarHBondContact OG-NH2 3.46Å | ||
| 289 | L | 92.6 | Very high | 93.1 | Very high | 19 Ų | 19 | 22.2 Ų | 22.2 | 10% | 0.099 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -81.9 | -32.3 | 169.8 | -68.1 | 175.5 | 0 | 0 | 0 | 112.1 | V301 V329 I330 H386 V390 | L289-V301 PolarHBondContact O-N 3.07Å; L289-V329 HydrophobicContact CD2-CB 3.89Å; L289-V329 HydrophobicContact CD2-CG1 3.57Å; L289-V329 HydrophobicContact CG-CB 4.41Å; L289-V329 HydrophobicContact CG-CG1 3.55Å; L289-I330 HydrophobicContact CD1-CG1 4.28Å; L289-I330 HydrophobicContact CD2-CG1 4.02Å; L289-H386 PolarHBondContact N-NE2 3.49Å; L289-V390 HydrophobicContact CD1-CG2 3.94Å |
| 290 | Y | 94.6 | Very high | 93.2 | Very high | 29 Ų | 29 | 19.2 Ų | 19.2 | 11% | 0.114 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136.7 | -175 | -59.8 | -89.6 | 0 | 0 | 0 | 110.2 | V298 L299 Q300 R385 N389 V390 | Y290-V298 HydrophobicContact CD1-CB 4.33Å; Y290-V298 HydrophobicContact CD1-CG2 3.77Å; Y290-V298 HydrophobicContact CE1-CG2 4.46Å; Y290-V298 HydrophobicContact CG-CG2 4.49Å; Y290-L299 WeakPolarHBondContact CA-O 3.43Å; Y290-Q300 HydrophobicContact CD1-CB 4.13Å; Y290-Q300 HydrophobicContact CD1-CG 4.27Å; Y290-Q300 HydrophobicContact CE1-CB 3.84Å; Y290-Q300 HydrophobicContact CE1-CG 3.7Å; Y290-Q300 PolarHBondContact OH-NE2 2.9Å; Y290-R385 PolarHBondContact O-NE 3.03Å; Y290-N389 HydrophobicContact CD1-CB 4.12Å; Y290-N389 HydrophobicContact CD2-CB 3.9Å; Y290-N389 HydrophobicContact CE1-CB 3.9Å; Y290-N389 HydrophobicContact CE2-CB 3.73Å; Y290-N389 HydrophobicContact CG-CB 4.11Å; Y290-N389 PolarHBondContact OH-O 3.41Å; Y290-V390 HydrophobicContact CD2-CG2 4.38Å; Y290-V390 HydrophobicContact CE2-CG2 3.93Å |
| 291 | I | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 151.5 | 167 | 61.9 | 173.5 | 0 | 0 | 0 | 110.2 | E257 R258 I261 I262 V298 L299 V301 | E257-I291 HydrophobicContact CG-CG2 4.27Å; R258-I291 HydrophobicContact CG-CB 4.05Å; R258-I291 HydrophobicContact CG-CD1 4.31Å; R258-I291 HydrophobicContact CG-CG2 4.45Å; I261-I291 HydrophobicContact CB-CD1 4.19Å; I261-I291 HydrophobicContact CD1-CG2 3.68Å; I261-I291 HydrophobicContact CG2-CD1 3.82Å; I262-I291 HydrophobicContact CD1-CD1 4.01Å; I262-I291 HydrophobicContact CG1-CD1 3.93Å; I291-V298 CarbonylContact O-C 3.47Å; I291-V298 VanDerWaalsContact O-CA 3.3Å; I291-V298 WeakPolarHBondContact O-CA 3.44Å; I291-V298 WeakPolarHBondContact O-CB 3.45Å; I291-L299 HydrophobicContact CD1-CB 4.4Å; I291-L299 HydrophobicContact CD1-CD2 4.01Å; I291-L299 HydrophobicContact CG1-CB 3.79Å; I291-L299 HydrophobicContact CG1-CD2 4.27Å; I291-L299 PolarHBondContact N-O 3.45Å; I291-L299 PolarHBondContact O-N 3.43Å; I291-V301 HydrophobicContact CB-CG2 4.39Å; I291-V301 HydrophobicContact CD1-CG2 4.44Å; I291-V301 HydrophobicContact CG1-CG2 3.98Å; I291-V301 HydrophobicContact CG2-CG2 3.89Å |
| 292 | T | 93.8 | Very high | 93 | Very high | 22 Ų | 22 | 19.3 Ų | 19.3 | 14% | 0.135 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 129 | 179.7 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | R258 R295 | R258-T292 WeakPolarHBondContact CD-O 3.47Å; R258-T292 PolarHBondContact NE-O 3.31Å; T292-R295 VanDerWaalsContact CG2-O 3.25Å; T292-R295 WeakPolarHBondContact CG2-O 3.44Å |
| 293 | L | 92.4 | Very high | 93 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -51.2 | 167.8 | -64.3 | 177.7 | 0 | 0 | 0 | 109.8 | L143 I262 D297 L299 | L143-L293 HydrophobicContact CB-CD1 4.32Å; L143-L293 HydrophobicContact CD1-CD1 4.39Å; L143-L293 HydrophobicContact CD1-CD2 4.17Å; I262-L293 HydrophobicContact CD1-CD2 4.4Å; L293-D297 WeakPolarHBondContact CB-O 3.1Å; L293-D297 PolarHBondContact N-O 3.1Å; L293-L299 HydrophobicContact CD1-CB 4.36Å; L293-L299 HydrophobicContact CD1-CD1 4.44Å; L293-L299 HydrophobicContact CD2-CB 4.07Å; L293-L299 HydrophobicContact CG-CB 4.09Å |
| 294 | I | 93.6 | Very high | 93.1 | Very high | 19 Ų | 19 | 21.6 Ų | 21.6 | 10% | 0.097 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 134.2 | 173.4 | -176.2 | 60.5 | 0 | 0 | 0 | 108.4 | L26 I27 Y30 L144 E296 D297 | L26-I294 HydrophobicContact CD1-CB 4.37Å; L26-I294 HydrophobicContact CD1-CG2 4.24Å; L26-I294 HydrophobicContact CD2-CB 3.95Å; L26-I294 HydrophobicContact CD2-CD1 4.11Å; L26-I294 HydrophobicContact CD2-CG1 4.23Å; L26-I294 HydrophobicContact CG-CB 3.94Å; L26-I294 HydrophobicContact CG-CD1 4.32Å; L26-I294 HydrophobicContact CG-CG1 4.04Å; L26-I294 HydrophobicContact CG-CG2 4.25Å; I27-I294 HydrophobicContact CG1-CD1 4.4Å; Y30-I294 HydrophobicContact CD2-CG2 3.95Å; Y30-I294 HydrophobicContact CG-CG2 4.38Å; L144-I294 HydrophobicContact CD1-CG2 4.45Å; L144-I294 HydrophobicContact CD2-CG2 3.83Å; I294-E296 PolarHBondContact O-N 3.45Å; I294-D297 HydrophobicContact CG2-CB 4.16Å; I294-D297 PolarHBondContact N-O 3.29Å; I294-D297 WeakPolarHBondContact O-CA 3.22Å; I294-D297 WeakPolarHBondContact O-CB 3.43Å; I294-D297 PolarHBondContact O-N 3.45Å |
| 295 | R | 92.1 | Very high | 93.1 | Very high | 19 Ų | 19 | 21.7 Ų | 21.7 | 7% | 0.072 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | -122.6 | 175.5 | -60.8 | 165.9 | 176.5 | -170.8 | -5.1 | 111.3 | Y30 N31 T292 F543 C578 E586 | Y30-R295 HydrophobicContact CD2-CB 4.49Å; Y30-R295 VanDerWaalsContact CE1-CD 3.45Å; Y30-R295 HydrophobicContact CE2-CB 4.01Å; N31-R295 PolarHBondContact OD1-NH1 3.16Å; T292-R295 VanDerWaalsContact CG2-O 3.25Å; T292-R295 WeakPolarHBondContact CG2-O 3.44Å; R295-F543 HydrophobicContact CB-CB 4.29Å; R295-F543 HydrophobicContact CB-CD1 4.25Å; R295-F543 HydrophobicContact CB-CD2 3.85Å; R295-F543 HydrophobicContact CB-CE2 4.28Å; R295-F543 HydrophobicContact CB-CG 3.84Å; R295-F543 VanDerWaalsContact CD-CE1 3.47Å; R295-F543 VanDerWaalsContact CD-CZ 3.43Å; R295-F543 HydrophobicContact CG-CD1 4.21Å; R295-F543 HydrophobicContact CG-CD2 3.68Å; R295-F543 HydrophobicContact CG-CE1 4.13Å; R295-F543 HydrophobicContact CG-CE2 3.58Å; R295-F543 HydrophobicContact CG-CG 4.01Å; R295-F543 HydrophobicContact CG-CZ 3.82Å; R295-F543 VanDerWaalsContact CZ-CZ 3.5Å; R295-C578 PolarHBondContact NH2-O 2.96Å; R295-C578 VanDerWaalsContact NH2-O 3.13Å; R295-E586 IonicContact CZ-OE1 3.29Å; R295-E586 IonicContact CZ-OE2 3.58Å; R295-E586 VanDerWaalsContact CZ-OE2 3.29Å; R295-E586 IonicContact NH1-OE2 3.17Å; R295-E586 PolarHBondContact NH1-OE2 3.05Å; R295-E586 IonicContact NH2-OE1 2.73Å; R295-E586 PolarHBondContact NH2-OE1 3.2Å; R295-E586 IonicContact NH2-OE2 3.28Å; R295-E586 PolarHBondContact NH2-OE2 3.41Å |
| 296 | E | 90.8 | Very high | 93.1 | Very high | 33 Ų | 33 | 23.5 Ų | 23.5 | 15% | 0.154 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -7.8 | 176.8 | 73.7 | -89.1 | -141.7 | 0 | 0 | 114.5 | Y30 K34 I294 V298 F543 H544 | Y30-E296 WeakPolarHBondContact CE2-OE2 3.34Å; Y30-E296 VanDerWaalsContact CZ-OE2 3.26Å; Y30-E296 PolarHBondContact OH-OE1 3.37Å; Y30-E296 PolarHBondContact OH-OE2 3.22Å; K34-E296 WeakPolarHBondContact CE-OE1 3.31Å; K34-E296 VanDerWaalsContact NZ-CG 3.33Å; K34-E296 IonicContact NZ-OE1 2.81Å; K34-E296 PolarHBondContact NZ-OE1 3.25Å; I294-E296 PolarHBondContact O-N 3.45Å; E296-V298 PolarHBondContact O-N 3.34Å; E296-F543 WeakPolarHBondContact OE2-CB 3.27Å; E296-H544 WeakPolarHBondContact CB-CE1 3.18Å |
| 297 | D | 93.1 | Very high | 93.2 | Very high | 12 Ų | 12 | 25.5 Ų | 25.5 | 6% | 0.064 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 108.1 | 177.2 | -104.2 | -74.9 | 0 | 0 | 0 | 110.1 | K33 L144 R147 L293 I294 | K33-D297 WeakPolarHBondContact CE-OD1 3.19Å; K33-D297 IonicContact NZ-OD1 3.8Å; K33-D297 PolarHBondContact NZ-OD1 3.27Å; K33-D297 IonicContact NZ-OD2 2.65Å; K33-D297 PolarHBondContact NZ-OD2 3.08Å; L144-D297 HydrophobicContact CD1-CB 4.42Å; R147-D297 IonicContact NH1-OD1 3.86Å; R147-D297 PolarHBondContact NH1-OD1 3.45Å; L293-D297 WeakPolarHBondContact CB-O 3.1Å; L293-D297 PolarHBondContact N-O 3.1Å; I294-D297 HydrophobicContact CG2-CB 4.16Å; I294-D297 PolarHBondContact N-O 3.29Å; I294-D297 WeakPolarHBondContact O-CA 3.22Å; I294-D297 WeakPolarHBondContact O-CB 3.43Å; I294-D297 PolarHBondContact O-N 3.45Å |
| 298 | V | 94.6 | Very high | 93.4 | Very high | 18 Ų | 18 | 25.7 Ų | 25.7 | 11% | 0.109 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 161.1 | -176.9 | -62.4 | 0 | 0 | 0 | 0 | 113.2 | R147 Y290 I291 E296 | R147-V298 PolarHBondContact NH1-O 3Å; R147-V298 PolarHBondContact NH2-O 3.09Å; Y290-V298 HydrophobicContact CD1-CB 4.33Å; Y290-V298 HydrophobicContact CD1-CG2 3.77Å; Y290-V298 HydrophobicContact CE1-CG2 4.46Å; Y290-V298 HydrophobicContact CG-CG2 4.49Å; I291-V298 CarbonylContact O-C 3.47Å; I291-V298 VanDerWaalsContact O-CA 3.3Å; I291-V298 WeakPolarHBondContact O-CA 3.44Å; I291-V298 WeakPolarHBondContact O-CB 3.45Å; E296-V298 PolarHBondContact O-N 3.34Å |
| 299 | L | 94.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.026 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.4 | 168.2 | -169.8 | 75.5 | 0 | 0 | 0 | 109.6 | L143 Y290 I291 L293 V301 V304 | L143-L299 HydrophobicContact CD1-CD1 4.2Å; Y290-L299 WeakPolarHBondContact CA-O 3.43Å; I291-L299 HydrophobicContact CD1-CB 4.4Å; I291-L299 HydrophobicContact CD1-CD2 4.01Å; I291-L299 HydrophobicContact CG1-CB 3.79Å; I291-L299 HydrophobicContact CG1-CD2 4.27Å; I291-L299 PolarHBondContact N-O 3.45Å; I291-L299 PolarHBondContact O-N 3.43Å; L293-L299 HydrophobicContact CD1-CB 4.36Å; L293-L299 HydrophobicContact CD1-CD1 4.44Å; L293-L299 HydrophobicContact CD2-CB 4.07Å; L293-L299 HydrophobicContact CG-CB 4.09Å; L299-V301 PolarHBondContact O-N 3.29Å; L299-V301 VanDerWaalsContact O-N 3.07Å; L299-V304 HydrophobicContact CD1-CB 4.43Å; L299-V304 HydrophobicContact CD1-CG1 4.25Å; L299-V304 HydrophobicContact CD1-CG2 3.88Å; L299-V304 HydrophobicContact CG-CG2 4.3Å |
| 300 | Q | 94.5 | Very high | 93.5 | Very high | 72 Ų | 72 | 28.4 Ų | 28.4 | 34% | 0.336 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 89.8 | 174.3 | -168 | 176.5 | 37.9 | 0 | 0 | 109.9 | Y290 H302 K303 V304 | Y290-Q300 HydrophobicContact CD1-CB 4.13Å; Y290-Q300 HydrophobicContact CD1-CG 4.27Å; Y290-Q300 HydrophobicContact CE1-CB 3.84Å; Y290-Q300 HydrophobicContact CE1-CG 3.7Å; Y290-Q300 PolarHBondContact OH-NE2 2.9Å; Q300-H302 PolarHBondContact O-N 3.27Å; Q300-K303 HydrophobicContact CB-CB 4.41Å; Q300-K303 HydrophobicContact CG-CB 3.99Å; Q300-K303 PolarHBondContact O-N 2.79Å; Q300-V304 WeakPolarHBondContact O-CG2 3.45Å; Q300-V304 PolarHBondContact O-N 2.93Å |
| 301 | V | 93 | Very high | 93.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -49 | -57.4 | -165.3 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | I261 L285 L289 I291 L299 K303 T305 | I261-V301 HydrophobicContact CD1-CG1 4.02Å; I261-V301 HydrophobicContact CD1-CG2 4.02Å; I261-V301 HydrophobicContact CG1-CG1 4.39Å; I261-V301 HydrophobicContact CG2-CG1 3.73Å; I261-V301 HydrophobicContact CG2-CG2 4.26Å; L285-V301 HydrophobicContact CD2-CG1 3.39Å; L289-V301 PolarHBondContact O-N 3.07Å; I291-V301 HydrophobicContact CB-CG2 4.39Å; I291-V301 HydrophobicContact CD1-CG2 4.44Å; I291-V301 HydrophobicContact CG1-CG2 3.98Å; I291-V301 HydrophobicContact CG2-CG2 3.89Å; L299-V301 PolarHBondContact O-N 3.29Å; L299-V301 VanDerWaalsContact O-N 3.07Å; V301-K303 PolarHBondContact O-N 3.13Å; V301-T305 VanDerWaalsContact O-CB 3.25Å; V301-T305 WeakPolarHBondContact O-CB 3.3Å; V301-T305 PolarHBondContact O-N 3.08Å; V301-T305 PolarHBondContact O-OG1 3.36Å |
| 302 | H | 94.8 | Very high | 93 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.3 | -42.7 | -173.2 | -63 | 86.9 | 0 | 0 | 0 | 112.9 | L285 S288 Q300 E306 V322 K326 | L285-H302 PolarHBondContact O-CE1 3.47Å; L285-H302 PolarHBondContact O-NE2 3.27Å; S288-H302 PolarHBondContact O-CE1 3.45Å; Q300-H302 PolarHBondContact O-N 3.27Å; H302-E306 WeakPolarHBondContact O-CB 3.36Å; H302-E306 PolarHBondContact O-N 3.39Å; H302-V322 HydrophobicContact CB-CG1 4.16Å; H302-V322 PolarHBondContact CD2-O 2.94Å; H302-V322 WeakPolarHBondContact O-CG1 3.28Å; H302-K326 HydrophobicContact CB-CB 4.13Å; H302-K326 HydrophobicContact CB-CD 3.99Å; H302-K326 HydrophobicContact CB-CG 4.03Å; H302-K326 VanDerWaalsContact CD2-CB 3.47Å; H302-K326 WeakPolarHBondContact CD2-CB 3.47Å; H302-K326 PolarHBondContact NE2-N 3.32Å |
| 303 | K | 94.1 | Very high | 92.7 | Very high | 107 Ų | 107 | 42.2 Ų | 42.2 | 47% | 0.465 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.1 | -50.4 | -179 | -178.3 | -178.5 | 178.2 | -176.1 | 0 | 110.8 | Q300 V301 T305 E306 D307 | Q300-K303 HydrophobicContact CB-CB 4.41Å; Q300-K303 HydrophobicContact CG-CB 3.99Å; Q300-K303 PolarHBondContact O-N 2.79Å; V301-K303 PolarHBondContact O-N 3.13Å; K303-T305 VanDerWaalsContact C-N 3.28Å; K303-T305 PolarHBondContact O-N 3.29Å; K303-E306 PolarHBondContact O-N 3.41Å; K303-D307 WeakPolarHBondContact O-CB 3.45Å; K303-D307 VanDerWaalsContact O-CG 3.25Å; K303-D307 PolarHBondContact O-N 3.46Å |
| 304 | V | 93.7 | Very high | 92.5 | Very high | 29 Ų | 29 | 45.3 Ų | 45.3 | 18% | 0.176 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.8 | -42 | -178.9 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L187 L265 L299 Q300 L308 | L187-V304 HydrophobicContact CD1-CG1 3.29Å; L265-V304 HydrophobicContact CD2-CG1 4.39Å; L299-V304 HydrophobicContact CD1-CB 4.43Å; L299-V304 HydrophobicContact CD1-CG1 4.25Å; L299-V304 HydrophobicContact CD1-CG2 3.88Å; L299-V304 HydrophobicContact CG-CG2 4.3Å; Q300-V304 WeakPolarHBondContact O-CG2 3.45Å; Q300-V304 PolarHBondContact O-N 2.93Å; V304-L308 WeakPolarHBondContact O-CB 3.37Å; V304-L308 PolarHBondContact O-N 3.36Å; V304-L308 VanDerWaalsContact O-N 3.11Å |
| 305 | T | 92.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67 | -44.5 | 177.8 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | L265 W281 V301 K303 L308 F309 V322 | L265-T305 HydrophobicContact CD1-CG2 4.43Å; W281-T305 HydrophobicContact CH2-CG2 4.12Å; W281-T305 HydrophobicContact CZ2-CG2 3.52Å; V301-T305 VanDerWaalsContact O-CB 3.25Å; V301-T305 WeakPolarHBondContact O-CB 3.3Å; V301-T305 PolarHBondContact O-N 3.08Å; V301-T305 PolarHBondContact O-OG1 3.36Å; K303-T305 VanDerWaalsContact C-N 3.28Å; K303-T305 PolarHBondContact O-N 3.29Å; T305-L308 PolarHBondContact O-N 3.33Å; T305-F309 HydrophobicContact CG2-CD2 4.16Å; T305-F309 HydrophobicContact CG2-CE2 4.12Å; T305-F309 HydrophobicContact CG2-CG 4.46Å; T305-F309 HydrophobicContact CG2-CZ 4.36Å; T305-F309 WeakPolarHBondContact O-CB 3.35Å; T305-F309 PolarHBondContact O-N 2.78Å; T305-V322 HydrophobicContact CG2-CG2 3.6Å |
| 306 | E | 94.4 | Very high | 92.4 | Very high | 39 Ų | 39 | 47.4 Ų | 47.4 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.3 | -47 | 177.3 | 179.4 | 175.7 | 179.9 | 0 | 0 | 111.5 | H302 K303 F309 S310 V319 V322 K323 | H302-E306 WeakPolarHBondContact O-CB 3.36Å; H302-E306 PolarHBondContact O-N 3.39Å; K303-E306 PolarHBondContact O-N 3.41Å; E306-F309 PolarHBondContact O-N 3.41Å; E306-S310 WeakPolarHBondContact O-CB 3.22Å; E306-S310 PolarHBondContact O-N 3.17Å; E306-S310 PolarHBondContact O-OG 3.2Å; E306-V319 HydrophobicContact CG-CG1 4.26Å; E306-V322 HydrophobicContact CB-CG1 4.29Å; E306-K323 VanDerWaalsContact CD-CE 3.45Å; E306-K323 WeakPolarHBondContact OE1-CE 3.21Å; E306-K323 IonicContact OE1-NZ 3.52Å; E306-K323 PolarHBondContact OE1-NZ 3.32Å; E306-K323 VanDerWaalsContact OE1-NZ 3.07Å |
| 307 | D | 93.6 | Very high | 92.4 | Very high | 97 Ų | 97 | 54 Ų | 54 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | -179.7 | -69.8 | -20.6 | 0 | 0 | 0 | 111.1 | K303 S311 | K303-D307 WeakPolarHBondContact O-CB 3.45Å; K303-D307 VanDerWaalsContact O-CG 3.25Å; K303-D307 PolarHBondContact O-N 3.46Å; D307-S311 PolarHBondContact O-N 3.06Å |
| 308 | L | 92.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 6% | 0.063 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.7 | -52.4 | 177.9 | -178.4 | 64.9 | 0 | 0 | 0 | 111.5 | L187 T191 L265 V304 T305 S310 S311 | L187-L308 HydrophobicContact CB-CD1 4.27Å; L187-L308 HydrophobicContact CB-CD2 4.48Å; T191-L308 HydrophobicContact CG2-CD2 4.09Å; L265-L308 HydrophobicContact CD1-CD2 3.57Å; L265-L308 HydrophobicContact CG-CD2 4.01Å; V304-L308 WeakPolarHBondContact O-CB 3.37Å; V304-L308 PolarHBondContact O-N 3.36Å; V304-L308 VanDerWaalsContact O-N 3.11Å; T305-L308 PolarHBondContact O-N 3.33Å; L308-S310 VanDerWaalsContact C-N 3.32Å; L308-S310 PolarHBondContact O-N 3.39Å; L308-S311 WeakPolarHBondContact O-CB 3.37Å; L308-S311 PolarHBondContact O-N 2.93Å; L308-S311 VanDerWaalsContact O-N 3.12Å; L308-S311 PolarHBondContact O-OG 2.96Å |
| 309 | F | 93.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.1 | -28.7 | -174.6 | -77 | 11.5 | 0 | 0 | 0 | 112.7 | L265 H268 L271 W281 T305 E306 S311 L312 Y315 R318 V319 | L265-F309 HydrophobicContact CD1-CE1 4.5Å; H268-F309 HydrophobicContact CB-CE1 3.66Å; H268-F309 HydrophobicContact CB-CZ 3.74Å; L271-F309 HydrophobicContact CD1-CE2 3.89Å; L271-F309 HydrophobicContact CD1-CZ 3.72Å; W281-F309 HydrophobicContact CH2-CD2 4.24Å; W281-F309 AromaticContact CH2-CE2 3.57Å; W281-F309 HydrophobicContact CH2-CE2 3.57Å; W281-F309 HydrophobicContact CH2-CZ 4.45Å; W281-F309 AromaticContact CZ2-CE2 3.74Å; W281-F309 HydrophobicContact CZ2-CE2 3.74Å; W281-F309 HydrophobicContact CZ2-CZ 4.21Å; T305-F309 HydrophobicContact CG2-CD2 4.16Å; T305-F309 HydrophobicContact CG2-CE2 4.12Å; T305-F309 HydrophobicContact CG2-CG 4.46Å; T305-F309 HydrophobicContact CG2-CZ 4.36Å; T305-F309 WeakPolarHBondContact O-CB 3.35Å; T305-F309 PolarHBondContact O-N 2.78Å; E306-F309 PolarHBondContact O-N 3.41Å; F309-S311 PolarHBondContact O-N 3Å; F309-L312 HydrophobicContact CD1-CD1 4.31Å; F309-L312 PolarHBondContact O-N 3.12Å; F309-Y315 HydrophobicContact CD1-CD1 4.34Å; F309-Y315 AromaticContact CD2-CD1 3.97Å; F309-Y315 HydrophobicContact CD2-CD1 3.97Å; F309-Y315 HydrophobicContact CE2-CD1 4.17Å; F309-Y315 HydrophobicContact CG-CD1 4.07Å; F309-Y315 HydrophobicContact CG-CG 4.47Å; F309-Y315 HydrophobicContact CZ-CD1 4.46Å; F309-Y315 WeakPolarHBondContact O-CB 3.46Å; F309-R318 HydrophobicContact CD2-CB 3.7Å; F309-R318 HydrophobicContact CE2-CB 3.98Å; F309-V319 HydrophobicContact CB-CG2 3.81Å |
| 310 | S | 92.6 | Very high | 92.4 | Very high | 75 Ų | 75 | 57 Ų | 57 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66 | -27 | 173.6 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | E306 L308 L312 | E306-S310 WeakPolarHBondContact O-CB 3.22Å; E306-S310 PolarHBondContact O-N 3.17Å; E306-S310 PolarHBondContact O-OG 3.2Å; L308-S310 VanDerWaalsContact C-N 3.32Å; L308-S310 PolarHBondContact O-N 3.39Å; S310-L312 VanDerWaalsContact C-N 3.32Å |
| 311 | S | 90.4 | Very high | 92.4 | Very high | 82 Ų | 82 | 54.4 Ų | 54.4 | 57% | 0.573 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -78.3 | -15.1 | 175.5 | 79.9 | 0 | 0 | 0 | 0 | 113.8 | D307 L308 F309 | D307-S311 PolarHBondContact O-N 3.06Å; L308-S311 WeakPolarHBondContact O-CB 3.37Å; L308-S311 PolarHBondContact O-N 2.93Å; L308-S311 VanDerWaalsContact O-N 3.12Å; L308-S311 PolarHBondContact O-OG 2.96Å; F309-S311 PolarHBondContact O-N 3Å |
| 312 | L | 88.7 | Confident | 92.5 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -100.2 | 133.4 | -175.5 | -62.2 | 175.9 | 0 | 0 | 0 | 112.1 | F309 S310 Y315 | F309-L312 HydrophobicContact CD1-CD1 4.31Å; F309-L312 PolarHBondContact O-N 3.12Å; S310-L312 VanDerWaalsContact C-N 3.32Å; L312-Y315 HydrophobicContact CB-CD2 3.51Å; L312-Y315 HydrophobicContact CB-CE2 4.01Å; L312-Y315 HydrophobicContact CB-CG 4.18Å; L312-Y315 HydrophobicContact CD1-CD2 4.33Å; L312-Y315 HydrophobicContact CD1-CE2 4.29Å |
| 313 | K | 88 | Confident | 92.6 | Very high | 210 Ų | 210 | 58.8 Ų | 58.8 | 91% | 0.913 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 134.8 | 175.5 | -69.4 | -178.1 | 179.3 | 178.9 | 0 | 110.8 | Y315 | K313-Y315 WeakPolarHBondContact O-CD2 3.23Š|
| 314 | G | 86.9 | Confident | 92.6 | Very high | 68 Ų | 68 | 58.7 Ų | 58.7 | 70% | 0.701 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.5 | 0.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 315 | Y | 92.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 57.3 Ų | 57.3 | 9% | 0.094 | 33% | 0.326 | C | S | . | . | trans | -100.2 | 7.9 | -175.9 | -73.5 | -97.3 | 0 | 0 | 0 | 115 | H268 N272 F309 L312 K313 K317 R318 V319 | H268-Y315 HydrophobicContact CB-CE1 4.19Å; H268-Y315 AromaticContact CE1-CZ 3.99Å; H268-Y315 PolarHBondContact CE1-OH 3.33Å; H268-Y315 AromaticContact ND1-CE1 3.69Å; H268-Y315 AromaticContact ND1-CZ 3.25Å; H268-Y315 PolarHBondContact ND1-OH 3.5Å; N272-Y315 WeakPolarHBondContact ND2-CE1 3.46Å; F309-Y315 HydrophobicContact CD1-CD1 4.34Å; F309-Y315 AromaticContact CD2-CD1 3.97Å; F309-Y315 HydrophobicContact CD2-CD1 3.97Å; F309-Y315 HydrophobicContact CE2-CD1 4.17Å; F309-Y315 HydrophobicContact CG-CD1 4.07Å; F309-Y315 HydrophobicContact CG-CG 4.47Å; F309-Y315 HydrophobicContact CZ-CD1 4.46Å; F309-Y315 WeakPolarHBondContact O-CB 3.46Å; L312-Y315 HydrophobicContact CB-CD2 3.51Å; L312-Y315 HydrophobicContact CB-CE2 4.01Å; L312-Y315 HydrophobicContact CB-CG 4.18Å; L312-Y315 HydrophobicContact CD1-CD2 4.33Å; L312-Y315 HydrophobicContact CD1-CE2 4.29Å; K313-Y315 WeakPolarHBondContact O-CD2 3.23Å; Y315-K317 VanDerWaalsContact C-N 3.29Å; Y315-K317 PolarHBondContact O-N 3.35Å; Y315-K317 VanDerWaalsContact O-N 3.17Å; Y315-R318 HydrophobicContact CD1-CB 4.31Å; Y315-R318 HydrophobicContact CD1-CG 4.1Å; Y315-R318 WeakPolarHBondContact O-CA 3.4Å; Y315-R318 WeakPolarHBondContact O-CB 3.37Å; Y315-R318 PolarHBondContact O-N 2.94Å; Y315-V319 PolarHBondContact O-N 3.04Å | ||
| 316 | G | 91.1 | Very high | 92.8 | Very high | 58 Ų | 58 | 60.7 Ų | 60.7 | 60% | 0.598 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -55.3 | -37.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V319 A320 | G316-V319 PolarHBondContact O-N 3.46Å; G316-A320 PolarHBondContact O-N 2.92Å |
| 317 | K | 91.8 | Very high | 92.7 | Very high | 170 Ų | 170 | 65.7 Ų | 65.7 | 74% | 0.739 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65.8 | -36 | 173.8 | -70 | -175.3 | 178.8 | -179.3 | 0 | 112.6 | Y315 A320 D321 | Y315-K317 VanDerWaalsContact C-N 3.29Å; Y315-K317 PolarHBondContact O-N 3.35Å; Y315-K317 VanDerWaalsContact O-N 3.17Å; K317-A320 WeakPolarHBondContact O-CB 3.4Å; K317-A320 PolarHBondContact O-N 2.82Å; K317-D321 PolarHBondContact O-N 2.92Å; K317-D321 VanDerWaalsContact O-N 3.08Å |
| 318 | R | 93.6 | Very high | 92.7 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 10% | 0.098 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -72.8 | -35.3 | 178.7 | -56.4 | -63.3 | 156 | -133.7 | 18.7 | 111.7 | L271 N272 Q278 F309 Y315 A320 D321 V322 | L271-R318 PolarHBondContact O-NE 3.4Å; L271-R318 PolarHBondContact O-NH2 2.63Å; L271-R318 VanDerWaalsContact O-NH2 3.14Å; N272-R318 WeakPolarHBondContact OD1-CG 3.48Å; N272-R318 PolarHBondContact OD1-NE 3.35Å; Q278-R318 VanDerWaalsContact CD-CZ 3.42Å; F309-R318 HydrophobicContact CD2-CB 3.7Å; F309-R318 HydrophobicContact CE2-CB 3.98Å; Y315-R318 HydrophobicContact CD1-CB 4.31Å; Y315-R318 HydrophobicContact CD1-CG 4.1Å; Y315-R318 WeakPolarHBondContact O-CA 3.4Å; Y315-R318 WeakPolarHBondContact O-CB 3.37Å; Y315-R318 PolarHBondContact O-N 2.94Å; R318-A320 VanDerWaalsContact C-N 3.27Å; R318-A320 PolarHBondContact O-N 3.46Å; R318-D321 IonicContact CZ-OD2 3.74Å; R318-D321 IonicContact NH1-OD2 3.92Å; R318-D321 PolarHBondContact NH1-OD2 3.32Å; R318-D321 WeakPolarHBondContact O-CB 3.47Å; R318-D321 PolarHBondContact O-N 3.1Å; R318-V322 WeakPolarHBondContact O-CG2 3.37Å; R318-V322 PolarHBondContact O-N 2.85Å |
| 319 | V | 94.3 | Very high | 92.7 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 10% | 0.103 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60 | -39.9 | 170.2 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | E306 F309 Y315 G316 V322 K323 | E306-V319 HydrophobicContact CG-CG1 4.26Å; F309-V319 HydrophobicContact CB-CG2 3.81Å; Y315-V319 PolarHBondContact O-N 3.04Å; G316-V319 PolarHBondContact O-N 3.46Å; V319-V322 PolarHBondContact O-N 3.38Å; V319-K323 WeakPolarHBondContact O-CG 3.22Å; V319-K323 PolarHBondContact O-N 2.87Å; V319-K323 VanDerWaalsContact O-N 3.09Å |
| 320 | A | 93.9 | Very high | 92.6 | Very high | 56 Ų | 56 | 68 Ų | 68 | 46% | 0.463 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G316 K317 R318 V322 K323 E324 | G316-A320 PolarHBondContact O-N 2.92Å; K317-A320 WeakPolarHBondContact O-CB 3.4Å; K317-A320 PolarHBondContact O-N 2.82Å; R318-A320 VanDerWaalsContact C-N 3.27Å; R318-A320 PolarHBondContact O-N 3.46Å; A320-V322 VanDerWaalsContact C-N 3.28Å; A320-V322 PolarHBondContact O-N 3.35Å; A320-K323 PolarHBondContact O-N 3.35Å; A320-E324 WeakPolarHBondContact O-CB 3.5Å; A320-E324 PolarHBondContact O-N 2.74Å |
| 321 | D | 94.4 | Very high | 92.5 | Very high | 17 Ų | 17 | 67.6 Ų | 67.6 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.9 | -39.4 | 174.5 | -70.7 | -50.2 | 0 | 0 | 0 | 112.3 | Q278 W281 K282 K317 R318 S325 | Q278-D321 PolarHBondContact NE2-OD2 3.35Å; Q278-D321 VanDerWaalsContact NE2-OD2 3.16Å; W281-D321 HydrophobicContact CZ3-CB 4.45Å; K282-D321 HydrophobicContact CD-CB 4.12Å; K282-D321 HydrophobicContact CG-CB 4.4Å; K282-D321 IonicContact NZ-OD1 3.5Å; K282-D321 PolarHBondContact NZ-OD1 2.92Å; K317-D321 PolarHBondContact O-N 2.92Å; K317-D321 VanDerWaalsContact O-N 3.08Å; R318-D321 IonicContact CZ-OD2 3.74Å; R318-D321 IonicContact NH1-OD2 3.92Å; R318-D321 PolarHBondContact NH1-OD2 3.32Å; R318-D321 WeakPolarHBondContact O-CB 3.47Å; R318-D321 PolarHBondContact O-N 3.1Å; D321-S325 VanDerWaalsContact O-CB 3.31Å; D321-S325 WeakPolarHBondContact O-CB 3.04Å; D321-S325 PolarHBondContact O-N 3.13Å; D321-S325 PolarHBondContact O-OG 2.72Å |
| 322 | V | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 178 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | W281 L285 H302 T305 E306 R318 V319 A320 S325 K326 | W281-V322 HydrophobicContact CH2-CG2 3.47Å; W281-V322 VanDerWaalsContact CH2-CG2 3.47Å; W281-V322 HydrophobicContact CZ2-CG2 4.01Å; W281-V322 HydrophobicContact CZ3-CG2 4.36Å; L285-V322 HydrophobicContact CD1-CG2 4.07Å; H302-V322 HydrophobicContact CB-CG1 4.16Å; H302-V322 PolarHBondContact CD2-O 2.94Å; H302-V322 WeakPolarHBondContact O-CG1 3.28Å; T305-V322 HydrophobicContact CG2-CG2 3.6Å; E306-V322 HydrophobicContact CB-CG1 4.29Å; R318-V322 WeakPolarHBondContact O-CG2 3.37Å; R318-V322 PolarHBondContact O-N 2.85Å; V319-V322 PolarHBondContact O-N 3.38Å; A320-V322 VanDerWaalsContact C-N 3.28Å; A320-V322 PolarHBondContact O-N 3.35Å; V322-S325 PolarHBondContact O-N 3.46Å; V322-K326 VanDerWaalsContact O-CB 3.3Å; V322-K326 WeakPolarHBondContact O-CB 3.48Å; V322-K326 PolarHBondContact O-N 2.75Å |
| 323 | K | 94.9 | Very high | 92.7 | Very high | 95 Ų | 95 | 64.9 Ų | 64.9 | 41% | 0.413 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65 | -46.2 | 177.7 | -72.1 | -179.9 | 179.5 | -172.7 | 0 | 112 | E306 V319 A320 S325 K326 E327 | E306-K323 VanDerWaalsContact CD-CE 3.45Å; E306-K323 WeakPolarHBondContact OE1-CE 3.21Å; E306-K323 IonicContact OE1-NZ 3.52Å; E306-K323 PolarHBondContact OE1-NZ 3.32Å; E306-K323 VanDerWaalsContact OE1-NZ 3.07Å; V319-K323 WeakPolarHBondContact O-CG 3.22Å; V319-K323 PolarHBondContact O-N 2.87Å; V319-K323 VanDerWaalsContact O-N 3.09Å; A320-K323 PolarHBondContact O-N 3.35Å; K323-S325 PolarHBondContact O-N 3.49Å; K323-K326 WeakPolarHBondContact O-CB 3.22Å; K323-K326 PolarHBondContact O-N 3Å; K323-E327 WeakPolarHBondContact O-CG 3.42Å; K323-E327 PolarHBondContact O-N 3.06Å |
| 324 | E | 95.8 | Very high | 92.9 | Very high | 106 Ų | 106 | 55 Ų | 55 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.7 | -47.3 | 175.1 | -177.1 | -167.3 | -171.5 | 0 | 0 | 111.2 | K282 A320 K326 E327 H328 | K282-E324 IonicContact NZ-OE2 3.45Å; K282-E324 PolarHBondContact NZ-OE2 3.05Å; A320-E324 WeakPolarHBondContact O-CB 3.5Å; A320-E324 PolarHBondContact O-N 2.74Å; E324-K326 VanDerWaalsContact C-N 3.33Å; E324-K326 PolarHBondContact O-N 3.04Å; E324-E327 PolarHBondContact O-N 2.73Å; E324-H328 PolarHBondContact O-N 2.93Å |
| 325 | S | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 179.3 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | D321 V322 K323 E327 H328 V329 | D321-S325 VanDerWaalsContact O-CB 3.31Å; D321-S325 WeakPolarHBondContact O-CB 3.04Å; D321-S325 PolarHBondContact O-N 3.13Å; D321-S325 PolarHBondContact O-OG 2.72Å; V322-S325 PolarHBondContact O-N 3.46Å; K323-S325 PolarHBondContact O-N 3.49Å; S325-E327 PolarHBondContact O-N 3.27Å; S325-H328 WeakPolarHBondContact O-CB 3.3Å; S325-H328 PolarHBondContact O-N 3.25Å; S325-V329 WeakPolarHBondContact O-CG2 3.47Å; S325-V329 PolarHBondContact O-N 3.46Å |
| 326 | K | 94.4 | Very high | 93.3 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 32% | 0.317 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 175.7 | -173.7 | -177.5 | 179.6 | 180 | 0 | 112 | H302 V322 K323 E324 H328 V329 I330 | H302-K326 HydrophobicContact CB-CB 4.13Å; H302-K326 HydrophobicContact CB-CD 3.99Å; H302-K326 HydrophobicContact CB-CG 4.03Å; H302-K326 VanDerWaalsContact CD2-CB 3.47Å; H302-K326 WeakPolarHBondContact CD2-CB 3.47Å; H302-K326 PolarHBondContact NE2-N 3.32Å; V322-K326 VanDerWaalsContact O-CB 3.3Å; V322-K326 WeakPolarHBondContact O-CB 3.48Å; V322-K326 PolarHBondContact O-N 2.75Å; K323-K326 WeakPolarHBondContact O-CB 3.22Å; K323-K326 PolarHBondContact O-N 3Å; E324-K326 VanDerWaalsContact C-N 3.33Å; E324-K326 PolarHBondContact O-N 3.04Å; K326-H328 VanDerWaalsContact C-N 3.31Å; K326-V329 PolarHBondContact O-N 3.25Å; K326-I330 HydrophobicContact CG-CD1 3.98Å; K326-I330 VanDerWaalsContact O-CG1 3.25Å; K326-I330 WeakPolarHBondContact O-CG1 3.25Å; K326-I330 PolarHBondContact O-N 3.34Å; K326-I330 VanDerWaalsContact O-N 3.13Å |
| 327 | E | 93.4 | Very high | 93.5 | Very high | 144 Ų | 144 | 56 Ų | 56 | 67% | 0.673 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.2 | -41.4 | 176.9 | -72.4 | 175.8 | -175.2 | 0 | 0 | 111.2 | K323 E324 S325 A331 | K323-E327 WeakPolarHBondContact O-CG 3.42Å; K323-E327 PolarHBondContact O-N 3.06Å; E324-E327 PolarHBondContact O-N 2.73Å; S325-E327 PolarHBondContact O-N 3.27Å; E327-A331 WeakPolarHBondContact O-CB 3.14Å; E327-A331 PolarHBondContact O-N 3.28Å |
| 328 | H | 93.8 | Very high | 93.7 | Very high | 78 Ų | 78 | 49 Ų | 49 | 36% | 0.361 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 176.1 | -177.7 | 85.3 | 0 | 0 | 0 | 112.8 | Q286 E324 S325 K326 A331 N332 | Q286-H328 HydrophobicContact CG-CB 4.38Å; E324-H328 PolarHBondContact O-N 2.93Å; S325-H328 WeakPolarHBondContact O-CB 3.3Å; S325-H328 PolarHBondContact O-N 3.25Å; K326-H328 VanDerWaalsContact C-N 3.31Å; H328-A331 PolarHBondContact O-N 3Å; H328-N332 PolarHBondContact CE1-ND2 2.92Å; H328-N332 VanDerWaalsContact CE1-ND2 3.31Å; H328-N332 PolarHBondContact ND1-ND2 3.38Å; H328-N332 WeakPolarHBondContact O-CB 3.31Å; H328-N332 PolarHBondContact O-N 3.43Å; H328-N332 PolarHBondContact O-ND2 3.11Å |
| 329 | V | 92.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -46.5 | -178.3 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | L285 Q286 L289 S325 K326 A331 N332 S333 | L285-V329 WeakPolarHBondContact O-CG2 3.37Å; Q286-V329 VanDerWaalsContact C-CG2 3.45Å; Q286-V329 VanDerWaalsContact CA-CG2 3.44Å; Q286-V329 WeakPolarHBondContact O-CG2 3.48Å; L289-V329 HydrophobicContact CD2-CB 3.89Å; L289-V329 HydrophobicContact CD2-CG1 3.57Å; L289-V329 HydrophobicContact CG-CB 4.41Å; L289-V329 HydrophobicContact CG-CG1 3.55Å; S325-V329 WeakPolarHBondContact O-CG2 3.47Å; S325-V329 PolarHBondContact O-N 3.46Å; K326-V329 PolarHBondContact O-N 3.25Å; V329-A331 PolarHBondContact O-N 3.49Å; V329-N332 PolarHBondContact O-N 2.93Å; V329-S333 WeakPolarHBondContact O-CB 3.26Å; V329-S333 PolarHBondContact O-N 3.4Å |
| 330 | I | 90.8 | Very high | 93.9 | Very high | 82 Ų | 82 | 49.9 Ų | 49.9 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.6 | -34.8 | 179.7 | -68.6 | 169.4 | 0 | 0 | 0 | 110.7 | L289 K326 | L289-I330 HydrophobicContact CD1-CG1 4.28Å; L289-I330 HydrophobicContact CD2-CG1 4.02Å; K326-I330 HydrophobicContact CG-CD1 3.98Å; K326-I330 VanDerWaalsContact O-CG1 3.25Å; K326-I330 WeakPolarHBondContact O-CG1 3.25Å; K326-I330 PolarHBondContact O-N 3.34Å; K326-I330 VanDerWaalsContact O-N 3.13Å |
| 331 | A | 90.4 | Very high | 94.1 | Very high | 66 Ų | 66 | 47.2 Ų | 47.2 | 55% | 0.545 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -82.8 | -35.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E327 H328 V329 | E327-A331 WeakPolarHBondContact O-CB 3.14Å; E327-A331 PolarHBondContact O-N 3.28Å; H328-A331 PolarHBondContact O-N 3Å; V329-A331 PolarHBondContact O-N 3.49Å |
| 332 | N | 91.7 | Very high | 94.2 | Very high | 68 Ų | 68 | 50.8 Ų | 50.8 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -120.2 | -26.7 | -164.9 | -57 | -71.7 | 0 | 0 | 0 | 115.2 | H328 V329 G334 Q335 F336 | H328-N332 PolarHBondContact CE1-ND2 2.92Å; H328-N332 VanDerWaalsContact CE1-ND2 3.31Å; H328-N332 PolarHBondContact ND1-ND2 3.38Å; H328-N332 WeakPolarHBondContact O-CB 3.31Å; H328-N332 PolarHBondContact O-N 3.43Å; H328-N332 PolarHBondContact O-ND2 3.11Å; V329-N332 PolarHBondContact O-N 2.93Å; N332-G334 PolarHBondContact O-N 2.7Å; N332-Q335 PolarHBondContact O-N 3.01Å; N332-F336 WeakPolarHBondContact O-CB 3.37Å; N332-F336 PolarHBondContact O-N 3.36Å |
| 333 | S | 91.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -39.8 | -169.4 | 176.6 | 0 | 0 | 0 | 0 | 112.7 | G287 V329 Q335 F336 H337 W382 | G287-S333 PolarHBondContact O-OG 3.33Å; V329-S333 WeakPolarHBondContact O-CB 3.26Å; V329-S333 PolarHBondContact O-N 3.4Å; S333-Q335 PolarHBondContact O-N 2.87Å; S333-F336 WeakPolarHBondContact O-CB 3.26Å; S333-F336 PolarHBondContact O-N 2.97Å; S333-H337 PolarHBondContact O-CD2 3.29Å; S333-H337 VanDerWaalsContact O-CD2 3.28Å; S333-H337 PolarHBondContact O-N 3.06Å; S333-W382 VanDerWaalsContact OG-CZ2 3.31Å; S333-W382 WeakPolarHBondContact OG-CZ2 3.26Å |
| 334 | G | 92.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -53.9 | -55.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N332 F336 H337 C338 | N332-G334 PolarHBondContact O-N 2.7Å; G334-F336 VanDerWaalsContact C-N 3.34Å; G334-F336 PolarHBondContact O-N 3.43Å; G334-H337 PolarHBondContact O-N 3.25Å; G334-C338 WeakPolarHBondContact O-CB 3.38Å; G334-C338 PolarHBondContact O-N 3.28Å |
| 335 | Q | 93.3 | Very high | 94.5 | Very high | 102 Ų | 102 | 43.1 Ų | 43.1 | 48% | 0.477 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 178.6 | -170.4 | 179.8 | 27 | 0 | 0 | 112.2 | N332 S333 H337 C338 Q339 | N332-Q335 PolarHBondContact O-N 3.01Å; S333-Q335 PolarHBondContact O-N 2.87Å; Q335-H337 PolarHBondContact O-N 2.69Å; Q335-C338 PolarHBondContact O-N 3.34Å; Q335-Q339 WeakPolarHBondContact O-CG 3.47Å; Q335-Q339 PolarHBondContact O-N 3.12Å |
| 336 | F | 94.9 | Very high | 94.6 | Very high | 60 Ų | 60 | 49 Ų | 49 | 26% | 0.263 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.2 | -50.2 | 179.3 | 178.3 | -96.9 | 0 | 0 | 0 | 112.2 | G218 N332 S333 G334 Q339 R340 | G218-F336 VanDerWaalsContact CA-CE2 3.42Å; N332-F336 WeakPolarHBondContact O-CB 3.37Å; N332-F336 PolarHBondContact O-N 3.36Å; S333-F336 WeakPolarHBondContact O-CB 3.26Å; S333-F336 PolarHBondContact O-N 2.97Å; G334-F336 VanDerWaalsContact C-N 3.34Å; G334-F336 PolarHBondContact O-N 3.43Å; F336-Q339 PolarHBondContact O-N 3.25Å; F336-R340 VanDerWaalsContact CZ-NH2 3.28Å; F336-R340 PolarHBondContact O-N 3.25Å |
| 337 | H | 95.6 | Very high | 94.7 | Very high | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.046 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71 | -35.5 | 178.3 | -75.7 | -76.4 | 0 | 0 | 0 | 112.4 | S333 G334 Q335 Q339 R340 R341 E379 W382 | S333-H337 PolarHBondContact O-CD2 3.29Å; S333-H337 VanDerWaalsContact O-CD2 3.28Å; S333-H337 PolarHBondContact O-N 3.06Å; G334-H337 PolarHBondContact O-N 3.25Å; Q335-H337 PolarHBondContact O-N 2.69Å; H337-Q339 VanDerWaalsContact C-N 3.34Å; H337-Q339 PolarHBondContact O-N 3.39Å; H337-R340 PolarHBondContact O-N 3.38Å; H337-R341 WeakPolarHBondContact O-CG 3.38Å; H337-R341 PolarHBondContact O-N 3.38Å; H337-R341 PolarHBondContact O-NH1 2.9Å; H337-E379 WeakPolarHBondContact CB-OE2 3.35Å; H337-E379 IonicContact CE1-OE1 2.98Å; H337-E379 IonicContact CE1-OE2 3.06Å; H337-E379 IonicContact CG-OE2 3.91Å; H337-E379 VanDerWaalsContact ND1-CD 3.33Å; H337-E379 IonicContact ND1-OE1 3.89Å; H337-E379 PolarHBondContact ND1-OE1 3.45Å; H337-E379 IonicContact ND1-OE2 3.28Å; H337-E379 PolarHBondContact ND1-OE2 2.85Å; H337-W382 HydrophobicContact CB-CD2 4Å; H337-W382 HydrophobicContact CB-CE3 3.59Å; H337-W382 HydrophobicContact CB-CH2 3.92Å; H337-W382 HydrophobicContact CB-CZ2 4.25Å; H337-W382 HydrophobicContact CB-CZ3 3.56Å; H337-W382 AromaticContact CD2-CD1 3.97Å; H337-W382 AromaticContact CD2-CD2 3.63Å; H337-W382 AromaticContact CD2-CE2 3.15Å; H337-W382 AromaticContact CD2-CH2 3.91Å; H337-W382 AromaticContact CD2-CZ2 3.34Å; H337-W382 WeakPolarHBondContact CD2-CZ2 3.44Å; H337-W382 AromaticContact CD2-NE1 3.36Å; H337-W382 PolarHBondContact CD2-NE1 3.13Å; H337-W382 AromaticContact CE1-CD1 3.54Å; H337-W382 AromaticContact CE1-CG 3.85Å; H337-W382 AromaticContact CE1-NE1 3.67Å; H337-W382 AromaticContact CG-CD2 3.53Å; H337-W382 AromaticContact CG-CE2 3.59Å; H337-W382 AromaticContact CG-CE3 3.69Å; H337-W382 AromaticContact CG-CZ2 3.91Å; H337-W382 AromaticContact CG-CZ3 3.98Å; H337-W382 AromaticContact ND1-CD2 3.82Å; H337-W382 AromaticContact ND1-CG 3.88Å; H337-W382 AromaticContact NE2-CD1 3.51Å; H337-W382 AromaticContact NE2-CD2 3.99Å; H337-W382 AromaticContact NE2-CE2 3.51Å; H337-W382 AromaticContact NE2-NE1 3.14Å; H337-W382 PolarHBondContact NE2-NE1 2.96Å; H337-W382 VanDerWaalsContact NE2-NE1 3.14Å |
| 338 | C | 95.4 | Very high | 95 | Very high | 23 Ų | 23 | 39.1 Ų | 39.1 | 16% | 0.155 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.1 | -46.6 | 173.2 | -177.1 | 0 | 0 | 0 | 0 | 112 | G334 Q335 R340 R341 Q342 | G334-C338 WeakPolarHBondContact O-CB 3.38Å; G334-C338 PolarHBondContact O-N 3.28Å; Q335-C338 PolarHBondContact O-N 3.34Å; C338-R340 VanDerWaalsContact C-N 3.34Å; C338-R340 PolarHBondContact O-N 3.38Å; C338-R341 PolarHBondContact O-N 3.01Å; C338-Q342 WeakPolarHBondContact O-CG 3.34Å; C338-Q342 PolarHBondContact O-N 3.08Å; C338-Q342 VanDerWaalsContact O-N 3.14Å |
| 339 | Q | 96.1 | Very high | 95.1 | Very high | 56 Ų | 56 | 39.3 Ų | 39.3 | 26% | 0.262 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.7 | -34.3 | 177.9 | -69.8 | 178.3 | -5 | 0 | 0 | 113 | A219 Q335 F336 H337 Q342 F343 | A219-Q339 HydrophobicContact CB-CB 3.79Å; A219-Q339 WeakPolarHBondContact CB-O 3.26Å; Q335-Q339 WeakPolarHBondContact O-CG 3.47Å; Q335-Q339 PolarHBondContact O-N 3.12Å; F336-Q339 PolarHBondContact O-N 3.25Å; H337-Q339 VanDerWaalsContact C-N 3.34Å; H337-Q339 PolarHBondContact O-N 3.39Å; Q339-Q342 PolarHBondContact O-N 3.44Å; Q339-F343 PolarHBondContact O-N 3.42Å |
| 340 | R | 96.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -45.2 | 174.5 | -78.7 | -173 | 166.3 | 172.1 | 5.2 | 112.2 | N216 Q217 W222 F336 H337 C338 Q342 F343 L344 E379 | N216-R340 VanDerWaalsContact CA-NH2 3.27Å; N216-R340 PolarHBondContact O-NH2 3.35Å; N216-R340 PolarHBondContact OD1-NH2 3.02Å; Q217-R340 VanDerWaalsContact O-CZ 3.24Å; Q217-R340 PolarHBondContact O-NE 3.1Å; Q217-R340 PolarHBondContact O-NH2 3.36Å; W222-R340 HydrophobicContact CE3-CB 4.49Å; W222-R340 HydrophobicContact CE3-CG 4.04Å; W222-R340 HydrophobicContact CH2-CB 4.22Å; W222-R340 VanDerWaalsContact CH2-CD 3.41Å; W222-R340 HydrophobicContact CH2-CG 3.77Å; W222-R340 HydrophobicContact CZ2-CG 4.49Å; W222-R340 HydrophobicContact CZ3-CB 3.73Å; W222-R340 HydrophobicContact CZ3-CG 3.49Å; W222-R340 VanDerWaalsContact CZ3-CG 3.49Å; F336-R340 VanDerWaalsContact CZ-NH2 3.28Å; F336-R340 PolarHBondContact O-N 3.25Å; H337-R340 PolarHBondContact O-N 3.38Å; C338-R340 VanDerWaalsContact C-N 3.34Å; C338-R340 PolarHBondContact O-N 3.38Å; R340-Q342 VanDerWaalsContact C-N 3.29Å; R340-Q342 PolarHBondContact O-N 3.48Å; R340-F343 PolarHBondContact O-N 3.45Å; R340-F343 VanDerWaalsContact O-N 3.16Å; R340-L344 WeakPolarHBondContact O-CG 3.24Å; R340-L344 PolarHBondContact O-N 2.87Å; R340-E379 HydrophobicContact CB-CG 4.28Å; R340-E379 WeakPolarHBondContact CD-OE1 3.36Å; R340-E379 IonicContact CZ-OE1 2.73Å; R340-E379 IonicContact NE-OE1 3.06Å; R340-E379 IonicContact NH1-OE1 3.82Å; R340-E379 PolarHBondContact NH1-OE1 2.95Å |
| 341 | R | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59 | -41.8 | 175.6 | -67.3 | -170.4 | -55.9 | -88.7 | 7.4 | 111.7 | H337 C338 L344 R345 E379 D398 D401 L407 | H337-R341 WeakPolarHBondContact O-CG 3.38Å; H337-R341 PolarHBondContact O-N 3.38Å; H337-R341 PolarHBondContact O-NH1 2.9Å; C338-R341 PolarHBondContact O-N 3.01Å; R341-L344 PolarHBondContact O-N 3.19Å; R341-R345 PolarHBondContact O-N 3.02Å; R341-E379 HydrophobicContact CG-CB 3.9Å; R341-D398 PolarHBondContact NH2-O 3.45Å; R341-D401 WeakPolarHBondContact CD-OD2 3.5Å; R341-D401 IonicContact CZ-OD2 3.74Å; R341-D401 IonicContact NE-OD2 2.76Å; R341-D401 PolarHBondContact NE-OD2 2.99Å; R341-L407 HydrophobicContact CB-CD2 4.41Å; R341-L407 HydrophobicContact CG-CD2 4.25Å |
| 342 | Q | 96.5 | Very high | 96 | Very high | 92 Ų | 92 | 36.2 Ų | 36.2 | 43% | 0.43 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 174.5 | -69.3 | 174.4 | 3.1 | 0 | 0 | 112.6 | C338 Q339 R340 | C338-Q342 WeakPolarHBondContact O-CG 3.34Å; C338-Q342 PolarHBondContact O-N 3.08Å; C338-Q342 VanDerWaalsContact O-N 3.14Å; Q339-Q342 PolarHBondContact O-N 3.44Å; R340-Q342 VanDerWaalsContact C-N 3.29Å; R340-Q342 PolarHBondContact O-N 3.48Å |
| 343 | F | 97.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 8% | 0.075 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -47.8 | 175.7 | 174.3 | -93 | 0 | 0 | 0 | 111.8 | A219 W222 R223 L227 Q339 R340 R345 I346 A347 | A219-F343 HydrophobicContact CB-CB 4.22Å; W222-F343 HydrophobicContact CB-CD1 4.11Å; W222-F343 HydrophobicContact CB-CD2 4.45Å; W222-F343 HydrophobicContact CB-CE1 3.8Å; W222-F343 HydrophobicContact CB-CE2 4.17Å; W222-F343 HydrophobicContact CB-CG 4.41Å; W222-F343 HydrophobicContact CB-CZ 3.82Å; W222-F343 HydrophobicContact CD2-CD1 4.35Å; W222-F343 HydrophobicContact CD2-CE1 4.46Å; W222-F343 AromaticContact CE3-CD1 3.51Å; W222-F343 HydrophobicContact CE3-CD1 3.51Å; W222-F343 AromaticContact CE3-CE1 4Å; W222-F343 HydrophobicContact CE3-CE1 4Å; W222-F343 HydrophobicContact CE3-CG 4.22Å; W222-F343 HydrophobicContact CG-CE1 4.46Å; W222-F343 HydrophobicContact CZ3-CD1 4.27Å; R223-F343 HydrophobicContact CB-CE2 4.35Å; R223-F343 HydrophobicContact CG-CD2 3.49Å; R223-F343 VanDerWaalsContact CG-CD2 3.49Å; R223-F343 HydrophobicContact CG-CE2 3.62Å; L227-F343 HydrophobicContact CB-CE1 4.25Å; L227-F343 HydrophobicContact CB-CZ 4.08Å; Q339-F343 PolarHBondContact O-N 3.42Å; R340-F343 PolarHBondContact O-N 3.45Å; R340-F343 VanDerWaalsContact O-N 3.16Å; F343-R345 VanDerWaalsContact C-N 3.34Å; F343-R345 PolarHBondContact O-N 3.28Å; F343-I346 PolarHBondContact O-N 3.29Å; F343-I346 VanDerWaalsContact O-N 3.13Å; F343-A347 HydrophobicContact CD1-CB 4.25Å; F343-A347 HydrophobicContact CE1-CB 3.76Å; F343-A347 HydrophobicContact CE2-CB 4.49Å; F343-A347 HydrophobicContact CZ-CB 3.91Å; F343-A347 WeakPolarHBondContact O-CB 3.48Å; F343-A347 PolarHBondContact O-N 3.34Å |
| 344 | L | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.1 | -39.4 | -178 | -70.9 | 171.9 | 0 | 0 | 0 | 111.9 | W222 L228 R340 R341 I346 A347 V348 F375 E379 L407 | W222-L344 HydrophobicContact CZ3-CD1 4.36Å; W222-L344 HydrophobicContact CZ3-CD2 4.21Å; W222-L344 HydrophobicContact CZ3-CG 4.1Å; L228-L344 HydrophobicContact CD1-CD2 4.37Å; R340-L344 WeakPolarHBondContact O-CG 3.24Å; R340-L344 PolarHBondContact O-N 2.87Å; R341-L344 PolarHBondContact O-N 3.19Å; L344-I346 PolarHBondContact O-N 3.49Å; L344-A347 PolarHBondContact O-N 3.33Å; L344-V348 HydrophobicContact CB-CG2 4.42Å; L344-V348 HydrophobicContact CD2-CG2 4.34Å; L344-V348 WeakPolarHBondContact O-CB 3.39Å; L344-V348 WeakPolarHBondContact O-CG2 3.35Å; L344-V348 PolarHBondContact O-N 3.22Å; L344-F375 HydrophobicContact CD1-CB 4Å; L344-F375 HydrophobicContact CD2-CB 3.76Å; L344-F375 HydrophobicContact CD2-CD2 4.35Å; L344-F375 HydrophobicContact CD2-CG 4.46Å; L344-E379 HydrophobicContact CD1-CB 4.37Å; L344-E379 HydrophobicContact CD1-CG 3.8Å; L344-L407 HydrophobicContact CB-CD1 3.93Å |
| 345 | R | 97.3 | Very high | 96.7 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 9% | 0.087 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.4 | -42.2 | 174.2 | -80.1 | -171.9 | -77.7 | -93.8 | 4.6 | 112.4 | R341 F343 K349 D401 S403 E406 L407 L410 | R341-R345 PolarHBondContact O-N 3.02Å; F343-R345 VanDerWaalsContact C-N 3.34Å; F343-R345 PolarHBondContact O-N 3.28Å; R345-K349 WeakPolarHBondContact O-CB 3.45Å; R345-K349 PolarHBondContact O-N 3.3Å; R345-D401 IonicContact CZ-OD1 3.1Å; R345-D401 IonicContact CZ-OD2 3.22Å; R345-D401 VanDerWaalsContact NH1-CG 3.31Å; R345-D401 IonicContact NH1-OD1 3.46Å; R345-D401 PolarHBondContact NH1-OD1 2.85Å; R345-D401 VanDerWaalsContact NH1-OD1 3.12Å; R345-D401 IonicContact NH1-OD2 3.92Å; R345-D401 PolarHBondContact NH1-OD2 3.44Å; R345-D401 IonicContact NH2-OD1 3.78Å; R345-D401 PolarHBondContact NH2-OD1 3.3Å; R345-D401 IonicContact NH2-OD2 3.32Å; R345-D401 PolarHBondContact NH2-OD2 3.46Å; R345-S403 PolarHBondContact NH1-O 3.49Å; R345-E406 WeakPolarHBondContact CD-OE2 3.49Å; R345-E406 HydrophobicContact CG-CG 4.43Å; R345-L407 HydrophobicContact CG-CB 4.15Å; R345-L407 HydrophobicContact CG-CD1 4.01Å; R345-L410 WeakPolarHBondContact O-CD1 3.25Å |
| 346 | I | 96.8 | Very high | 96.9 | Very high | 125 Ų | 125 | 34.9 Ų | 34.9 | 64% | 0.641 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -75.9 | -51.6 | -179.3 | -60.1 | 170.3 | 0 | 0 | 0 | 110.5 | F343 L344 V348 K349 E350 | F343-I346 PolarHBondContact O-N 3.29Å; F343-I346 VanDerWaalsContact O-N 3.13Å; L344-I346 PolarHBondContact O-N 3.49Å; I346-V348 PolarHBondContact O-N 3.17Å; I346-K349 PolarHBondContact O-N 2.92Å; I346-E350 PolarHBondContact O-N 3.34Å |
| 347 | A | 97.6 | Very high | 97 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66 | -40.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F343 L344 L351 | F343-A347 HydrophobicContact CD1-CB 4.25Å; F343-A347 HydrophobicContact CE1-CB 3.76Å; F343-A347 HydrophobicContact CE2-CB 4.49Å; F343-A347 HydrophobicContact CZ-CB 3.91Å; F343-A347 WeakPolarHBondContact O-CB 3.48Å; F343-A347 PolarHBondContact O-N 3.34Å; L344-A347 PolarHBondContact O-N 3.33Å; A347-L351 WeakPolarHBondContact O-CB 3.5Å; A347-L351 PolarHBondContact O-N 3.49Å |
| 348 | V | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -74.4 | -34.7 | 179.7 | -179 | 0 | 0 | 0 | 0 | 110.9 | L228 L344 I346 L351 E352 A372 I376 L410 I414 | L228-V348 HydrophobicContact CD1-CG2 4.14Å; L344-V348 HydrophobicContact CB-CG2 4.42Å; L344-V348 HydrophobicContact CD2-CG2 4.34Å; L344-V348 WeakPolarHBondContact O-CB 3.39Å; L344-V348 WeakPolarHBondContact O-CG2 3.35Å; L344-V348 PolarHBondContact O-N 3.22Å; I346-V348 PolarHBondContact O-N 3.17Å; V348-L351 PolarHBondContact O-N 3.43Å; V348-E352 WeakPolarHBondContact O-CB 3.41Å; V348-E352 PolarHBondContact O-N 3.05Å; V348-A372 HydrophobicContact CG1-CB 4.41Å; V348-A372 HydrophobicContact CG2-CB 3.98Å; V348-I376 HydrophobicContact CB-CD1 4.38Å; V348-I376 HydrophobicContact CG1-CD1 3.9Å; V348-I376 HydrophobicContact CG2-CD1 4.02Å; V348-I376 HydrophobicContact CG2-CG1 4.31Å; V348-L410 HydrophobicContact CB-CD1 4.37Å; V348-L410 HydrophobicContact CG1-CB 3.97Å; V348-I414 HydrophobicContact CG1-CG1 4.06Å |
| 349 | K | 97.5 | Very high | 97 | Very high | 81 Ų | 81 | 43.3 Ų | 43.3 | 35% | 0.352 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 173.1 | -173.4 | 175.1 | -163.6 | 160.6 | 0 | 112 | R345 I346 T353 E406 L410 Y564 | R345-K349 WeakPolarHBondContact O-CB 3.45Å; R345-K349 PolarHBondContact O-N 3.3Å; I346-K349 PolarHBondContact O-N 2.92Å; K349-T353 WeakPolarHBondContact O-CB 3.29Å; K349-T353 PolarHBondContact O-N 3.23Å; K349-T353 PolarHBondContact O-OG1 3.21Å; K349-E406 IonicContact NZ-OE1 3.78Å; K349-E406 PolarHBondContact NZ-OE1 3.28Å; K349-L410 HydrophobicContact CB-CD1 4.01Å; K349-L410 HydrophobicContact CB-CD2 3.89Å; K349-L410 HydrophobicContact CG-CD2 4.21Å; K349-Y564 PolarHBondContact NZ-OH 3.49Å |
| 350 | E | 97.3 | Very high | 97 | Very high | 61 Ų | 61 | 43 Ų | 43 | 29% | 0.285 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.9 | -48.1 | 172 | -179.5 | -175.6 | 106.7 | 0 | 0 | 111.2 | S229 I231 I346 T353 V354 | S229-E350 WeakPolarHBondContact CB-OE1 3.43Å; S229-E350 PolarHBondContact OG-OE1 2.96Å; I231-E350 HydrophobicContact CD1-CG 4.12Å; I231-E350 WeakPolarHBondContact CD1-OE2 3.26Å; I231-E350 HydrophobicContact CG1-CG 4.47Å; I231-E350 WeakPolarHBondContact CG1-OE1 3.42Å; I346-E350 PolarHBondContact O-N 3.34Å; E350-T353 PolarHBondContact O-N 3.49Å; E350-V354 VanDerWaalsContact O-CG2 3.28Å; E350-V354 WeakPolarHBondContact O-CG2 3.39Å; E350-V354 PolarHBondContact O-N 3.44Å |
| 351 | L | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.7 | -49.7 | 179.1 | 177.2 | 63.7 | 0 | 0 | 0 | 112.1 | L230 A347 V348 V354 L355 F368 A372 I414 | L230-L351 HydrophobicContact CD1-CD1 3.52Å; L230-L351 HydrophobicContact CD2-CD1 4.28Å; L230-L351 HydrophobicContact CG-CD1 3.67Å; A347-L351 WeakPolarHBondContact O-CB 3.5Å; A347-L351 PolarHBondContact O-N 3.49Å; V348-L351 PolarHBondContact O-N 3.43Å; L351-V354 PolarHBondContact O-N 3.39Å; L351-L355 HydrophobicContact CD1-CD1 3.76Å; L351-L355 HydrophobicContact CD1-CG 4.08Å; L351-L355 HydrophobicContact CG-CD1 3.85Å; L351-L355 HydrophobicContact CG-CG 4.47Å; L351-L355 WeakPolarHBondContact O-CB 3.49Å; L351-L355 WeakPolarHBondContact O-CG 3.31Å; L351-L355 PolarHBondContact O-N 3.49Å; L351-F368 HydrophobicContact CD1-CB 4.31Å; L351-F368 HydrophobicContact CD2-CB 4.32Å; L351-A372 HydrophobicContact CD2-CB 3.78Å; L351-I414 HydrophobicContact CG-CD1 4.48Å |
| 352 | E | 97.4 | Very high | 96.9 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 11% | 0.107 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57 | -51.9 | 178.1 | 177.6 | -75.8 | 139.5 | 0 | 0 | 110.4 | V348 V354 L355 A356 L410 E413 I414 L417 | V348-E352 WeakPolarHBondContact O-CB 3.41Å; V348-E352 PolarHBondContact O-N 3.05Å; E352-V354 VanDerWaalsContact C-N 3.33Å; E352-V354 PolarHBondContact O-N 3.42Å; E352-L355 PolarHBondContact O-N 3.26Å; E352-L355 VanDerWaalsContact O-N 3.15Å; E352-A356 WeakPolarHBondContact O-CB 3.39Å; E352-A356 PolarHBondContact O-N 3.32Å; E352-L410 HydrophobicContact CB-CD2 4.37Å; E352-L410 HydrophobicContact CG-CD2 4.49Å; E352-E413 HydrophobicContact CG-CB 3.74Å; E352-I414 HydrophobicContact CB-CD1 3.71Å; E352-I414 HydrophobicContact CB-CG1 4.37Å; E352-I414 HydrophobicContact CG-CD1 4.25Å; E352-L417 HydrophobicContact CG-CD1 4.11Å |
| 353 | T | 97.2 | Very high | 96.8 | Very high | 78 Ų | 78 | 39.3 Ų | 39.3 | 48% | 0.479 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.4 | -39.4 | -176.2 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | K349 E350 A356 D357 | K349-T353 WeakPolarHBondContact O-CB 3.29Å; K349-T353 PolarHBondContact O-N 3.23Å; K349-T353 PolarHBondContact O-OG1 3.21Å; E350-T353 PolarHBondContact O-N 3.49Å; T353-A356 PolarHBondContact O-N 3.16Å; T353-D357 WeakPolarHBondContact O-CB 3.26Å; T353-D357 PolarHBondContact O-N 2.94Å |
| 354 | V | 96.7 | Very high | 96.7 | Very high | 28 Ų | 28 | 39.2 Ų | 39.2 | 17% | 0.17 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.1 | -40 | 176 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | L230 I231 M237 E350 L351 E352 D357 E358 L361 | L230-V354 HydrophobicContact CB-CG1 4.27Å; L230-V354 HydrophobicContact CD1-CB 4.31Å; L230-V354 HydrophobicContact CD1-CG1 3.78Å; I231-V354 HydrophobicContact CG2-CG2 4.2Å; M237-V354 HydrophobicContact CE-CG1 4.17Å; E350-V354 VanDerWaalsContact O-CG2 3.28Å; E350-V354 WeakPolarHBondContact O-CG2 3.39Å; E350-V354 PolarHBondContact O-N 3.44Å; L351-V354 PolarHBondContact O-N 3.39Å; E352-V354 VanDerWaalsContact C-N 3.33Å; E352-V354 PolarHBondContact O-N 3.42Å; V354-D357 PolarHBondContact O-N 3.13Å; V354-E358 PolarHBondContact O-N 3.3Å; V354-L361 HydrophobicContact CG1-CD1 3.87Å |
| 355 | L | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.2 | -31.2 | 177.5 | -69.3 | 174.7 | 0 | 0 | 0 | 112.5 | L230 L351 E352 E358 P359 L361 L362 I414 L417 | L230-L355 HydrophobicContact CD1-CD2 4.03Å; L230-L355 HydrophobicContact CD1-CG 4.27Å; L351-L355 HydrophobicContact CD1-CD1 3.76Å; L351-L355 HydrophobicContact CD1-CG 4.08Å; L351-L355 HydrophobicContact CG-CD1 3.85Å; L351-L355 HydrophobicContact CG-CG 4.47Å; L351-L355 WeakPolarHBondContact O-CB 3.49Å; L351-L355 WeakPolarHBondContact O-CG 3.31Å; L351-L355 PolarHBondContact O-N 3.49Å; E352-L355 PolarHBondContact O-N 3.26Å; E352-L355 VanDerWaalsContact O-N 3.15Å; L355-E358 CarbonylContact O-C 3.27Å; L355-P359 VanDerWaalsContact O-CA 3.26Å; L355-P359 WeakPolarHBondContact O-CA 3.41Å; L355-L361 HydrophobicContact CD2-CB 3.83Å; L355-L362 HydrophobicContact CD1-CD2 3.9Å; L355-L362 HydrophobicContact CD2-CD2 4.04Å; L355-L362 HydrophobicContact CD2-CG 4.19Å; L355-L362 HydrophobicContact CG-CD2 4.38Å; L355-I414 HydrophobicContact CD1-CD1 4.22Å; L355-L417 HydrophobicContact CB-CD1 4.15Å |
| 356 | A | 96.4 | Very high | 96.5 | Very high | 43 Ų | 43 | 39 Ų | 39 | 36% | 0.355 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.3 | -39.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E352 T353 L417 | E352-A356 WeakPolarHBondContact O-CB 3.39Å; E352-A356 PolarHBondContact O-N 3.32Å; T353-A356 PolarHBondContact O-N 3.16Å; A356-L417 HydrophobicContact CB-CD1 4.19Å; A356-L417 HydrophobicContact CB-CD2 4.01Å |
| 357 | D | 97 | Very high | 96.5 | Very high | 128 Ų | 128 | 33.3 Ų | 33.3 | 68% | 0.684 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -69.7 | -43.1 | 176.3 | -166.3 | 54.1 | 0 | 0 | 0 | 111.7 | T353 V354 P359 | T353-D357 WeakPolarHBondContact O-CB 3.26Å; T353-D357 PolarHBondContact O-N 2.94Å; V354-D357 PolarHBondContact O-N 3.13Å; D357-P359 WeakPolarHBondContact O-CD 3.36Å |
| 358 | E | 95.8 | Very high | 96.4 | Very high | 112 Ų | 112 | 35.1 Ų | 35.1 | 52% | 0.523 | 20% | 0.198 | S | C | . | . | trans | -124.2 | 77.7 | 179.6 | -70.8 | -66.9 | 172.3 | 0 | 0 | 112.7 | V354 L355 G360 L361 | V354-E358 PolarHBondContact O-N 3.3Å; L355-E358 CarbonylContact O-C 3.27Å; E358-G360 PolarHBondContact O-N 3.05Å; E358-L361 HydrophobicContact CB-CD1 3.85Å; E358-L361 HydrophobicContact CB-CG 4.09Å; E358-L361 WeakPolarHBondContact O-CB 3.3Å; E358-L361 PolarHBondContact O-N 3.03Å | ||
| 359 | P | 96 | Very high | 96.4 | Very high | 30 Ų | 30 | 35.1 Ų | 35.1 | 20% | 0.195 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -60.7 | -20.1 | -176.7 | -25.7 | 34.6 | 0 | 0 | 0 | 114.9 | L355 D357 L361 L362 H421 | L355-P359 VanDerWaalsContact O-CA 3.26Å; L355-P359 WeakPolarHBondContact O-CA 3.41Å; D357-P359 WeakPolarHBondContact O-CD 3.36Å; P359-L361 PolarHBondContact O-N 3.29Å; P359-L362 WeakPolarHBondContact O-CB 3.35Å; P359-L362 PolarHBondContact O-N 2.95Å; P359-L362 VanDerWaalsContact O-N 3.12Å; P359-H421 HydrophobicContact CB-CB 4.47Å |
| 360 | G | 95.8 | Very high | 96.4 | Very high | 48 Ų | 48 | 31.2 Ų | 31.2 | 50% | 0.495 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -57.6 | -28.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E358 L362 G363 P364 | E358-G360 PolarHBondContact O-N 3.05Å; G360-L362 PolarHBondContact O-N 3.37Å; G360-G363 PolarHBondContact O-N 3.19Å; G360-P364 WeakPolarHBondContact O-CD 3.35Å |
| 361 | L | 96.2 | Very high | 96.4 | Very high | 18 Ų | 18 | 29 Ų | 29 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -67.3 | -19.3 | 178.6 | -65.6 | 176 | 0 | 0 | 0 | 113 | L230 M237 V354 L355 E358 P359 G363 P364 K365 | L230-L361 HydrophobicContact CD1-CD1 4.46Å; M237-L361 HydrophobicContact CE-CD1 3.74Å; V354-L361 HydrophobicContact CG1-CD1 3.87Å; L355-L361 HydrophobicContact CD2-CB 3.83Å; E358-L361 HydrophobicContact CB-CD1 3.85Å; E358-L361 HydrophobicContact CB-CG 4.09Å; E358-L361 WeakPolarHBondContact O-CB 3.3Å; E358-L361 PolarHBondContact O-N 3.03Å; P359-L361 PolarHBondContact O-N 3.29Å; L361-G363 PolarHBondContact O-N 3.35Å; L361-G363 VanDerWaalsContact O-N 3.16Å; L361-P364 VanDerWaalsContact O-CD 3.32Å; L361-P364 WeakPolarHBondContact O-CD 3.47Å; L361-K365 WeakPolarHBondContact O-CA 3.2Å; L361-K365 VanDerWaalsContact O-CB 3.24Å; L361-K365 WeakPolarHBondContact O-CB 3.45Å; L361-K365 PolarHBondContact O-N 3.38Å |
| 362 | L | 96.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -61 | -22.1 | 174.3 | -73.4 | 168.7 | 0 | 0 | 0 | 112.8 | L355 P359 G360 A366 L417 V418 H421 I425 | L355-L362 HydrophobicContact CD1-CD2 3.9Å; L355-L362 HydrophobicContact CD2-CD2 4.04Å; L355-L362 HydrophobicContact CD2-CG 4.19Å; L355-L362 HydrophobicContact CG-CD2 4.38Å; P359-L362 WeakPolarHBondContact O-CB 3.35Å; P359-L362 PolarHBondContact O-N 2.95Å; P359-L362 VanDerWaalsContact O-N 3.12Å; G360-L362 PolarHBondContact O-N 3.37Å; L362-A366 WeakPolarHBondContact O-CA 3.46Å; L362-A366 VanDerWaalsContact O-CB 3.3Å; L362-A366 WeakPolarHBondContact O-CB 3.29Å; L362-A366 PolarHBondContact O-N 2.97Å; L362-L417 HydrophobicContact CD1-CB 4.48Å; L362-V418 HydrophobicContact CD2-CG2 4.26Å; L362-H421 HydrophobicContact CD1-CB 3.64Å; L362-I425 HydrophobicContact CB-CD1 4.23Å; L362-I425 HydrophobicContact CB-CG1 3.87Å |
| 363 | G | 94.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -74.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G360 L361 K365 Y428 H429 | G360-G363 PolarHBondContact O-N 3.19Å; L361-G363 PolarHBondContact O-N 3.35Å; L361-G363 VanDerWaalsContact O-N 3.16Å; G363-K365 VanDerWaalsContact C-N 3.29Å; G363-K365 PolarHBondContact O-N 3.37Å; G363-Y428 VanDerWaalsContact C-CD1 3.4Å; G363-Y428 WeakPolarHBondContact O-CD1 3.35Å; G363-H429 PolarHBondContact O-CE1 3.21Å |
| 364 | P | 95.1 | Very high | 96.6 | Very high | 14 Ų | 14 | 24.1 Ų | 24.1 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.7 | -177.1 | 25 | -33.9 | 0 | 0 | 0 | 114.4 | P240 A241 G360 L361 Y428 | P240-P364 CarbonylContact C-O 3.16Å; P240-P364 WeakPolarHBondContact CA-O 3.14Å; A241-P364 PolarHBondContact N-O 2.8Å; G360-P364 WeakPolarHBondContact O-CD 3.35Å; L361-P364 VanDerWaalsContact O-CD 3.32Å; L361-P364 WeakPolarHBondContact O-CD 3.47Å; P364-Y428 HydrophobicContact CB-CE1 4.47Å; P364-Y428 HydrophobicContact CB-CE2 4.26Å |
| 365 | K | 95.9 | Very high | 96.6 | Very high | 17 Ų | 17 | 23.2 Ų | 23.2 | 7% | 0.074 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 15.5 | -174.1 | -52.9 | -61.9 | -176.1 | -175.6 | 0 | 114 | L230 A236 M237 N239 A241 L361 G363 L367 F368 | L230-K365 HydrophobicContact CD2-CB 4.14Å; L230-K365 HydrophobicContact CD2-CD 3.81Å; L230-K365 HydrophobicContact CD2-CG 3.72Å; A236-K365 PolarHBondContact O-NZ 3.5Å; M237-K365 WeakPolarHBondContact O-CE 3.37Å; N239-K365 WeakPolarHBondContact O-CE 3.33Å; N239-K365 PolarHBondContact O-NZ 2.92Å; A241-K365 HydrophobicContact CB-CD 4.08Å; L361-K365 WeakPolarHBondContact O-CA 3.2Å; L361-K365 VanDerWaalsContact O-CB 3.24Å; L361-K365 WeakPolarHBondContact O-CB 3.45Å; L361-K365 PolarHBondContact O-N 3.38Å; G363-K365 VanDerWaalsContact C-N 3.29Å; G363-K365 PolarHBondContact O-N 3.37Å; K365-L367 PolarHBondContact O-N 3.22Å; K365-L367 VanDerWaalsContact O-N 3.08Å; K365-F368 PolarHBondContact O-N 2.88Å |
| 366 | A | 95.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -47 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L362 F368 A369 F370 F520 M524 | L362-A366 WeakPolarHBondContact O-CA 3.46Å; L362-A366 VanDerWaalsContact O-CB 3.3Å; L362-A366 WeakPolarHBondContact O-CB 3.29Å; L362-A366 PolarHBondContact O-N 2.97Å; A366-F368 VanDerWaalsContact C-N 3.31Å; A366-F368 PolarHBondContact O-N 3.06Å; A366-A369 WeakPolarHBondContact O-CB 3.48Å; A366-A369 PolarHBondContact O-N 2.96Å; A366-A369 VanDerWaalsContact O-N 3.16Å; A366-F370 HydrophobicContact CB-CE2 4.32Å; A366-F370 WeakPolarHBondContact O-CD2 3.45Å; A366-F370 PolarHBondContact O-N 3.46Å; A366-F520 HydrophobicContact CB-CZ 4.3Å; A366-M524 HydrophobicContact CB-SD 3.94Å |
| 367 | L | 96.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.8 | -42.7 | 178.8 | -176.5 | 62.7 | 0 | 0 | 0 | 112.8 | A241 M246 E249 Y250 K365 A369 F370 M371 F520 | A241-L367 HydrophobicContact CB-CB 4.19Å; A241-L367 HydrophobicContact CB-CD2 4.34Å; M246-L367 HydrophobicContact CE-CB 4.4Å; M246-L367 HydrophobicContact CE-CD1 4.25Å; M246-L367 HydrophobicContact CE-CD2 3.95Å; M246-L367 HydrophobicContact CE-CG 4.43Å; M246-L367 HydrophobicContact SD-CD2 3.9Å; E249-L367 HydrophobicContact CB-CD1 4.15Å; E249-L367 HydrophobicContact CG-CD2 4.39Å; Y250-L367 HydrophobicContact CD1-CD1 3.89Å; Y250-L367 HydrophobicContact CE1-CD1 4.39Å; K365-L367 PolarHBondContact O-N 3.22Å; K365-L367 VanDerWaalsContact O-N 3.08Å; L367-A369 VanDerWaalsContact C-N 3.31Å; L367-A369 PolarHBondContact O-N 3.3Å; L367-F370 PolarHBondContact O-N 3.27Å; L367-M371 HydrophobicContact CD1-CG 4.35Å; L367-M371 HydrophobicContact CD1-SD 4.48Å; L367-M371 HydrophobicContact CD2-SD 4.3Å; L367-M371 HydrophobicContact CG-CG 4.27Å; L367-M371 HydrophobicContact CG-SD 3.88Å; L367-M371 WeakPolarHBondContact O-CB 3.39Å; L367-M371 VanDerWaalsContact O-CG 3.24Å; L367-M371 WeakPolarHBondContact O-CG 3.36Å; L367-M371 PolarHBondContact O-N 2.96Å; L367-F520 HydrophobicContact CB-CZ 4.3Å; L367-F520 HydrophobicContact CD1-CE2 4.35Å; L367-F520 HydrophobicContact CD1-CZ 4.35Å |
| 368 | F | 96.6 | Very high | 96.8 | Very high | 46 Ų | 46 | 17.1 Ų | 17.1 | 20% | 0.202 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.4 | -34.8 | -178.6 | -78.2 | 15.5 | 0 | 0 | 0 | 111.7 | L228 L230 A241 L351 K365 A366 M371 A372 | L228-F368 HydrophobicContact CD2-CB 4.38Å; L228-F368 HydrophobicContact CD2-CG 4.5Å; L230-F368 HydrophobicContact CD2-CD2 3.52Å; L230-F368 HydrophobicContact CD2-CE2 3.85Å; L230-F368 HydrophobicContact CG-CD2 4.46Å; A241-F368 HydrophobicContact CB-CD1 3.93Å; A241-F368 HydrophobicContact CB-CE1 3.76Å; A241-F368 HydrophobicContact CB-CZ 4.42Å; L351-F368 HydrophobicContact CD1-CB 4.31Å; L351-F368 HydrophobicContact CD2-CB 4.32Å; K365-F368 PolarHBondContact O-N 2.88Å; A366-F368 VanDerWaalsContact C-N 3.31Å; A366-F368 PolarHBondContact O-N 3.06Å; F368-M371 HydrophobicContact CD1-SD 4.07Å; F368-M371 HydrophobicContact CE1-SD 4.48Å; F368-M371 PolarHBondContact O-N 3.4Å; F368-A372 VanDerWaalsContact O-CB 3.27Å; F368-A372 WeakPolarHBondContact O-CB 3.38Å; F368-A372 PolarHBondContact O-N 3.42Å |
| 369 | A | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.1 | -50 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | A366 L367 M371 A372 L373 I414 V418 | A366-A369 WeakPolarHBondContact O-CB 3.48Å; A366-A369 PolarHBondContact O-N 2.96Å; A366-A369 VanDerWaalsContact O-N 3.16Å; L367-A369 VanDerWaalsContact C-N 3.31Å; L367-A369 PolarHBondContact O-N 3.3Å; A369-M371 PolarHBondContact O-N 3.28Å; A369-A372 WeakPolarHBondContact O-CB 3.47Å; A369-A372 PolarHBondContact O-N 2.98Å; A369-L373 WeakPolarHBondContact O-CB 3.39Å; A369-L373 VanDerWaalsContact O-CG 3.27Å; A369-L373 WeakPolarHBondContact O-CG 3.32Å; A369-L373 PolarHBondContact O-N 3.1Å; A369-I414 HydrophobicContact CB-CG2 3.84Å; A369-V418 HydrophobicContact CB-CG2 4.26Å |
| 370 | F | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.4 | -32.8 | 179.2 | -64.9 | -65.2 | 0 | 0 | 0 | 113.7 | Y250 A366 L367 L373 S374 V418 F520 M524 V528 L531 L532 T535 | Y250-F370 HydrophobicContact CG-CB 4.44Å; A366-F370 HydrophobicContact CB-CE2 4.32Å; A366-F370 WeakPolarHBondContact O-CD2 3.45Å; A366-F370 PolarHBondContact O-N 3.46Å; L367-F370 PolarHBondContact O-N 3.27Å; F370-L373 HydrophobicContact CD1-CD1 4.31Å; F370-S374 WeakPolarHBondContact O-CB 3.49Å; F370-S374 PolarHBondContact O-N 3.37Å; F370-V418 HydrophobicContact CZ-CG1 4.34Å; F370-F520 HydrophobicContact CD2-CE2 4.18Å; F370-F520 HydrophobicContact CD2-CZ 4.33Å; F370-M524 HydrophobicContact CD2-CE 4.21Å; F370-M524 HydrophobicContact CD2-SD 4.49Å; F370-M524 HydrophobicContact CE2-CE 3.42Å; F370-M524 VanDerWaalsContact CE2-CE 3.42Å; F370-M524 HydrophobicContact CE2-SD 3.55Å; F370-M524 VanDerWaalsContact CE2-SD 3.55Å; F370-M524 HydrophobicContact CZ-CE 3.77Å; F370-M524 HydrophobicContact CZ-SD 4.18Å; F370-V528 HydrophobicContact CZ-CG1 4.2Å; F370-L531 HydrophobicContact CD1-CB 4.43Å; F370-L531 HydrophobicContact CD1-CD2 3.67Å; F370-L531 HydrophobicContact CD1-CG 3.63Å; F370-L531 HydrophobicContact CD2-CD2 3.72Å; F370-L531 HydrophobicContact CE1-CB 4.03Å; F370-L531 HydrophobicContact CE1-CD2 3.66Å; F370-L531 HydrophobicContact CE1-CG 3.7Å; F370-L531 HydrophobicContact CE2-CD2 3.76Å; F370-L531 HydrophobicContact CG-CD2 3.7Å; F370-L531 HydrophobicContact CG-CG 4.11Å; F370-L531 HydrophobicContact CZ-CD2 3.73Å; F370-L531 HydrophobicContact CZ-CG 4.25Å; F370-L532 HydrophobicContact CE1-CD2 3.82Å; F370-L532 HydrophobicContact CE1-CG 4.18Å; F370-T535 HydrophobicContact CB-CG2 4.28Å; F370-T535 HydrophobicContact CD1-CG2 4.37Å |
| 371 | M | 97.7 | Very high | 96.9 | Very high | 13 Ų | 13 | 9.4 Ų | 9.4 | 6% | 0.064 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.7 | -48.5 | 171.2 | -72 | 174.3 | 70.1 | 0 | 0 | 111.2 | L227 L228 E249 L367 F368 A369 L373 S374 F375 | L227-M371 HydrophobicContact CD1-CE 4.37Å; L228-M371 HydrophobicContact CD2-CB 3.9Å; E249-M371 HydrophobicContact CB-CE 4.34Å; E249-M371 HydrophobicContact CB-CG 4.03Å; E249-M371 HydrophobicContact CB-SD 3.94Å; L367-M371 HydrophobicContact CD1-CG 4.35Å; L367-M371 HydrophobicContact CD1-SD 4.48Å; L367-M371 HydrophobicContact CD2-SD 4.3Å; L367-M371 HydrophobicContact CG-CG 4.27Å; L367-M371 HydrophobicContact CG-SD 3.88Å; L367-M371 WeakPolarHBondContact O-CB 3.39Å; L367-M371 VanDerWaalsContact O-CG 3.24Å; L367-M371 WeakPolarHBondContact O-CG 3.36Å; L367-M371 PolarHBondContact O-N 2.96Å; F368-M371 HydrophobicContact CD1-SD 4.07Å; F368-M371 HydrophobicContact CE1-SD 4.48Å; F368-M371 PolarHBondContact O-N 3.4Å; A369-M371 PolarHBondContact O-N 3.28Å; M371-L373 PolarHBondContact O-N 3.01Å; M371-S374 PolarHBondContact O-N 3.2Å; M371-F375 HydrophobicContact CB-CE2 4.1Å; M371-F375 HydrophobicContact CE-CE2 4.09Å; M371-F375 HydrophobicContact CE-CZ 4.15Å; M371-F375 WeakPolarHBondContact O-CD2 3.4Å; M371-F375 WeakPolarHBondContact O-CG 3.4Å; M371-F375 PolarHBondContact O-N 3.37Å |
| 372 | A | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -57 | -49.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L228 V348 L351 F368 A369 S374 F375 I376 | L228-A372 HydrophobicContact CD1-CB 3.87Å; L228-A372 HydrophobicContact CD2-CB 4.43Å; V348-A372 HydrophobicContact CG1-CB 4.41Å; V348-A372 HydrophobicContact CG2-CB 3.98Å; L351-A372 HydrophobicContact CD2-CB 3.78Å; F368-A372 VanDerWaalsContact O-CB 3.27Å; F368-A372 WeakPolarHBondContact O-CB 3.38Å; F368-A372 PolarHBondContact O-N 3.42Å; A369-A372 WeakPolarHBondContact O-CB 3.47Å; A369-A372 PolarHBondContact O-N 2.98Å; A372-S374 PolarHBondContact O-N 2.94Å; A372-F375 PolarHBondContact O-N 3.35Å; A372-I376 VanDerWaalsContact O-CG1 3.26Å; A372-I376 WeakPolarHBondContact O-CG1 3.39Å; A372-I376 PolarHBondContact O-N 2.95Å |
| 373 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -55.2 | -50.6 | 175.6 | -74.3 | -176.7 | 0 | 0 | 0 | 112.1 | A369 F370 M371 F375 I376 R377 L411 I414 R415 L532 T535 | A369-L373 WeakPolarHBondContact O-CB 3.39Å; A369-L373 VanDerWaalsContact O-CG 3.27Å; A369-L373 WeakPolarHBondContact O-CG 3.32Å; A369-L373 PolarHBondContact O-N 3.1Å; F370-L373 HydrophobicContact CD1-CD1 4.31Å; M371-L373 PolarHBondContact O-N 3.01Å; L373-F375 PolarHBondContact O-N 2.91Å; L373-I376 PolarHBondContact O-N 2.96Å; L373-R377 WeakPolarHBondContact O-CB 3.44Å; L373-R377 PolarHBondContact O-N 2.93Å; L373-L411 HydrophobicContact CD2-CB 4.49Å; L373-L411 HydrophobicContact CD2-CG 3.94Å; L373-L411 WeakPolarHBondContact CD2-O 3.2Å; L373-I414 HydrophobicContact CD1-CG2 4.07Å; L373-I414 HydrophobicContact CD2-CB 3.92Å; L373-I414 HydrophobicContact CD2-CG2 3.81Å; L373-I414 HydrophobicContact CG-CB 4.43Å; L373-I414 HydrophobicContact CG-CG2 3.78Å; L373-R415 HydrophobicContact CD1-CG 4.19Å; L373-R415 HydrophobicContact CD2-CG 3.93Å; L373-L532 HydrophobicContact CD1-CD2 3.57Å; L373-T535 CarbonylContact C-O 3.44Å; L373-T535 VanDerWaalsContact O-O 3.07Å |
| 374 | S | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 178.5 | -177.8 | 0 | 0 | 0 | 0 | 112.3 | Y250 F370 M371 A372 R377 D378 T535 | Y250-S374 WeakPolarHBondContact O-CB 3.4Å; Y250-S374 PolarHBondContact O-OG 3.19Å; Y250-S374 VanDerWaalsContact O-OG 3.1Å; F370-S374 WeakPolarHBondContact O-CB 3.49Å; F370-S374 PolarHBondContact O-N 3.37Å; M371-S374 PolarHBondContact O-N 3.2Å; A372-S374 PolarHBondContact O-N 2.94Å; S374-R377 PolarHBondContact O-N 2.98Å; S374-D378 WeakPolarHBondContact O-CB 3.38Å; S374-D378 PolarHBondContact O-N 3.31Å; S374-T535 VanDerWaalsContact CA-O 3.22Å; S374-T535 WeakPolarHBondContact CA-O 3.41Å; S374-T535 PolarHBondContact N-O 3.06Å |
| 375 | F | 98 | Very high | 96.8 | Very high | 8 Ų | 8 | 8.2 Ų | 8.2 | 4% | 0.035 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -65.9 | -41.9 | -179.6 | -65.6 | -37.1 | 0 | 0 | 0 | 112.1 | R215 L227 L228 L344 M371 A372 L373 D378 E379 | R215-F375 VanDerWaalsContact NE-CE1 3.28Å; L227-F375 HydrophobicContact CD2-CE2 3.92Å; L227-F375 HydrophobicContact CD2-CZ 4.33Å; L227-F375 HydrophobicContact CG-CE2 4.49Å; L228-F375 HydrophobicContact CD1-CD2 4.21Å; L228-F375 HydrophobicContact CD2-CE2 4.42Å; L344-F375 HydrophobicContact CD1-CB 4Å; L344-F375 HydrophobicContact CD2-CB 3.76Å; L344-F375 HydrophobicContact CD2-CD2 4.35Å; L344-F375 HydrophobicContact CD2-CG 4.46Å; M371-F375 HydrophobicContact CB-CE2 4.1Å; M371-F375 HydrophobicContact CE-CE2 4.09Å; M371-F375 HydrophobicContact CE-CZ 4.15Å; M371-F375 WeakPolarHBondContact O-CD2 3.4Å; M371-F375 WeakPolarHBondContact O-CG 3.4Å; M371-F375 PolarHBondContact O-N 3.37Å; A372-F375 PolarHBondContact O-N 3.35Å; L373-F375 PolarHBondContact O-N 2.91Å; F375-D378 PolarHBondContact O-N 3.32Å; F375-E379 WeakPolarHBondContact O-CG 3.39Å; F375-E379 PolarHBondContact O-N 2.88Å; F375-E379 VanDerWaalsContact O-N 3.11Å |
| 376 | I | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -61.6 | -50.6 | 175.2 | -64.8 | 167 | 0 | 0 | 0 | 110.2 | V348 A372 L373 D378 E379 V380 L407 L411 | V348-I376 HydrophobicContact CB-CD1 4.38Å; V348-I376 HydrophobicContact CG1-CD1 3.9Å; V348-I376 HydrophobicContact CG2-CD1 4.02Å; V348-I376 HydrophobicContact CG2-CG1 4.31Å; A372-I376 VanDerWaalsContact O-CG1 3.26Å; A372-I376 WeakPolarHBondContact O-CG1 3.39Å; A372-I376 PolarHBondContact O-N 2.95Å; L373-I376 PolarHBondContact O-N 2.96Å; I376-D378 VanDerWaalsContact C-N 3.31Å; I376-D378 PolarHBondContact O-N 3.33Å; I376-E379 PolarHBondContact O-N 3.38Å; I376-V380 HydrophobicContact CG2-CG2 3.92Å; I376-V380 WeakPolarHBondContact O-CB 3.2Å; I376-V380 WeakPolarHBondContact O-CG2 3.16Å; I376-V380 PolarHBondContact O-N 3.21Å; I376-L407 HydrophobicContact CD1-CD1 4.28Å; I376-L407 HydrophobicContact CG1-CD1 3.81Å; I376-L407 HydrophobicContact CG1-CG 4.27Å; I376-L407 HydrophobicContact CG2-CD1 4.18Å; I376-L407 HydrophobicContact CG2-CD2 4.09Å; I376-L407 HydrophobicContact CG2-CG 3.67Å; I376-L411 HydrophobicContact CB-CD1 4.05Å; I376-L411 HydrophobicContact CD1-CB 4.06Å; I376-L411 HydrophobicContact CG2-CB 3.98Å; I376-L411 HydrophobicContact CG2-CD1 3.58Å; I376-L411 HydrophobicContact CG2-CG 4.42Å |
| 377 | R | 97.9 | Very high | 96.5 | Very high | 33 Ų | 33 | 9.3 Ų | 9.3 | 13% | 0.125 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -56.1 | -47.8 | -179.8 | -172.6 | -74.5 | -52.9 | -72.9 | -17.9 | 111 | S252 L373 S374 E379 V380 T381 E534 T535 D537 L538 | S252-R377 PolarHBondContact OG-NH2 3.42Å; L373-R377 WeakPolarHBondContact O-CB 3.44Å; L373-R377 PolarHBondContact O-N 2.93Å; S374-R377 PolarHBondContact O-N 2.98Å; R377-E379 PolarHBondContact O-N 2.93Å; R377-V380 PolarHBondContact O-N 3.34Å; R377-T381 HydrophobicContact CG-CG2 4.3Å; R377-T381 WeakPolarHBondContact O-CB 3.23Å; R377-T381 VanDerWaalsContact O-CG2 3.26Å; R377-T381 WeakPolarHBondContact O-CG2 3.43Å; R377-T381 PolarHBondContact O-N 3.2Å; R377-T381 PolarHBondContact O-OG1 3.5Å; R377-E534 PolarHBondContact NH1-O 3.26Å; R377-E534 VanDerWaalsContact NH1-O 3.07Å; R377-T535 WeakPolarHBondContact CB-O 3.46Å; R377-D537 VanDerWaalsContact CG-O 3.31Å; R377-D537 WeakPolarHBondContact CG-O 3.41Å; R377-L538 HydrophobicContact CG-CD2 4.12Å |
| 378 | D | 97.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 13.1 Ų | 13.1 | 5% | 0.053 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | -178.9 | -67.7 | -11.4 | 0 | 0 | 0 | 111.7 | S252 V253 S374 F375 I376 T381 W382 | S252-D378 WeakPolarHBondContact CA-OD2 3.48Å; S252-D378 WeakPolarHBondContact CB-OD1 3.24Å; S252-D378 PolarHBondContact OG-OD1 3.49Å; V253-D378 PolarHBondContact N-OD2 2.9Å; S374-D378 WeakPolarHBondContact O-CB 3.38Å; S374-D378 PolarHBondContact O-N 3.31Å; F375-D378 PolarHBondContact O-N 3.32Å; I376-D378 VanDerWaalsContact C-N 3.31Å; I376-D378 PolarHBondContact O-N 3.33Å; D378-T381 PolarHBondContact O-OG1 2.82Å; D378-T381 VanDerWaalsContact O-OG1 3.06Å; D378-W382 VanDerWaalsContact O-CB 3.23Å; D378-W382 WeakPolarHBondContact O-CB 3.35Å; D378-W382 PolarHBondContact O-N 3.09Å |
| 379 | E | 97.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 13 Ų | 13 | 3% | 0.028 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -72.1 | -36.2 | 179.1 | -66.7 | -61.7 | 141.9 | 0 | 0 | 113.1 | H337 R340 R341 L344 F375 I376 R377 L383 | H337-E379 WeakPolarHBondContact CB-OE2 3.35Å; H337-E379 IonicContact CE1-OE1 2.98Å; H337-E379 IonicContact CE1-OE2 3.06Å; H337-E379 IonicContact CG-OE2 3.91Å; H337-E379 VanDerWaalsContact ND1-CD 3.33Å; H337-E379 IonicContact ND1-OE1 3.89Å; H337-E379 PolarHBondContact ND1-OE1 3.45Å; H337-E379 IonicContact ND1-OE2 3.28Å; H337-E379 PolarHBondContact ND1-OE2 2.85Å; R340-E379 HydrophobicContact CB-CG 4.28Å; R340-E379 WeakPolarHBondContact CD-OE1 3.36Å; R340-E379 IonicContact CZ-OE1 2.73Å; R340-E379 IonicContact NE-OE1 3.06Å; R340-E379 IonicContact NH1-OE1 3.82Å; R340-E379 PolarHBondContact NH1-OE1 2.95Å; R341-E379 HydrophobicContact CG-CB 3.9Å; L344-E379 HydrophobicContact CD1-CB 4.37Å; L344-E379 HydrophobicContact CD1-CG 3.8Å; F375-E379 WeakPolarHBondContact O-CG 3.39Å; F375-E379 PolarHBondContact O-N 2.88Å; F375-E379 VanDerWaalsContact O-N 3.11Å; I376-E379 PolarHBondContact O-N 3.38Å; R377-E379 PolarHBondContact O-N 2.93Å; E379-L383 WeakPolarHBondContact O-CB 3.42Å; E379-L383 PolarHBondContact O-N 2.9Å |
| 380 | V | 97.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.8 | -50 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | I376 R377 W382 L383 V384 I404 L407 L408 L538 F541 | I376-V380 HydrophobicContact CG2-CG2 3.92Å; I376-V380 WeakPolarHBondContact O-CB 3.2Å; I376-V380 WeakPolarHBondContact O-CG2 3.16Å; I376-V380 PolarHBondContact O-N 3.21Å; R377-V380 PolarHBondContact O-N 3.34Å; V380-W382 VanDerWaalsContact C-N 3.27Å; V380-W382 PolarHBondContact O-N 2.97Å; V380-L383 PolarHBondContact O-N 3.33Å; V380-L383 VanDerWaalsContact O-N 3.15Å; V380-V384 HydrophobicContact CG1-CG2 4.46Å; V380-V384 WeakPolarHBondContact O-CG2 3.49Å; V380-V384 PolarHBondContact O-N 2.91Å; V380-I404 HydrophobicContact CG2-CD1 4.11Å; V380-L407 HydrophobicContact CG2-CD2 4.03Å; V380-L408 HydrophobicContact CG1-CD2 3.97Å; V380-L408 HydrophobicContact CG2-CD2 3.98Å; V380-L538 HydrophobicContact CB-CD2 4.12Å; V380-L538 HydrophobicContact CG1-CD1 4.43Å; V380-L538 HydrophobicContact CG1-CD2 3.75Å; V380-F541 HydrophobicContact CG1-CE2 3.78Å; V380-F541 HydrophobicContact CG1-CZ 3.73Å |
| 381 | T | 95.4 | Very high | 94.4 | Very high | 21 Ų | 21 | 19.8 Ų | 19.8 | 13% | 0.129 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.6 | -32 | 178.1 | 56 | 0 | 0 | 0 | 0 | 112.1 | R377 D378 R385 L538 T540 | R377-T381 HydrophobicContact CG-CG2 4.3Å; R377-T381 WeakPolarHBondContact O-CB 3.23Å; R377-T381 VanDerWaalsContact O-CG2 3.26Å; R377-T381 WeakPolarHBondContact O-CG2 3.43Å; R377-T381 PolarHBondContact O-N 3.2Å; R377-T381 PolarHBondContact O-OG1 3.5Å; D378-T381 PolarHBondContact O-OG1 2.82Å; D378-T381 VanDerWaalsContact O-OG1 3.06Å; T381-R385 WeakPolarHBondContact O-CG 3.37Å; T381-R385 PolarHBondContact O-N 3.06Å; T381-R385 PolarHBondContact O-NH1 3.2Å; T381-L538 HydrophobicContact CG2-CD2 4.35Å; T381-T540 HydrophobicContact CG2-CG2 4.08Å |
| 382 | W | 95.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 1% | 0.011 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.3 | -47.2 | 170.4 | -176.4 | 104.6 | 0 | 0 | 0 | 112.1 | S288 S333 H337 D378 V380 R385 H386 Y399 | S288-W382 PolarHBondContact OG-NE1 3.16Å; S333-W382 VanDerWaalsContact OG-CZ2 3.31Å; S333-W382 WeakPolarHBondContact OG-CZ2 3.26Å; H337-W382 HydrophobicContact CB-CD2 4Å; H337-W382 HydrophobicContact CB-CE3 3.59Å; H337-W382 HydrophobicContact CB-CH2 3.92Å; H337-W382 HydrophobicContact CB-CZ2 4.25Å; H337-W382 HydrophobicContact CB-CZ3 3.56Å; H337-W382 AromaticContact CD2-CD1 3.97Å; H337-W382 AromaticContact CD2-CD2 3.63Å; H337-W382 AromaticContact CD2-CE2 3.15Å; H337-W382 AromaticContact CD2-CH2 3.91Å; H337-W382 AromaticContact CD2-CZ2 3.34Å; H337-W382 WeakPolarHBondContact CD2-CZ2 3.44Å; H337-W382 AromaticContact CD2-NE1 3.36Å; H337-W382 PolarHBondContact CD2-NE1 3.13Å; H337-W382 AromaticContact CE1-CD1 3.54Å; H337-W382 AromaticContact CE1-CG 3.85Å; H337-W382 AromaticContact CE1-NE1 3.67Å; H337-W382 AromaticContact CG-CD2 3.53Å; H337-W382 AromaticContact CG-CE2 3.59Å; H337-W382 AromaticContact CG-CE3 3.69Å; H337-W382 AromaticContact CG-CZ2 3.91Å; H337-W382 AromaticContact CG-CZ3 3.98Å; H337-W382 AromaticContact ND1-CD2 3.82Å; H337-W382 AromaticContact ND1-CG 3.88Å; H337-W382 AromaticContact NE2-CD1 3.51Å; H337-W382 AromaticContact NE2-CD2 3.99Å; H337-W382 AromaticContact NE2-CE2 3.51Å; H337-W382 AromaticContact NE2-NE1 3.14Å; H337-W382 PolarHBondContact NE2-NE1 2.96Å; H337-W382 VanDerWaalsContact NE2-NE1 3.14Å; D378-W382 VanDerWaalsContact O-CB 3.23Å; D378-W382 WeakPolarHBondContact O-CB 3.35Å; D378-W382 PolarHBondContact O-N 3.09Å; V380-W382 VanDerWaalsContact C-N 3.27Å; V380-W382 PolarHBondContact O-N 2.97Å; W382-R385 WeakPolarHBondContact O-CG 3.41Å; W382-H386 AromaticContact CD1-CE1 3.54Å; W382-H386 AromaticContact CD1-ND1 3.76Å; W382-H386 AromaticContact CD2-CE1 4Å; W382-H386 AromaticContact CD2-ND1 3.54Å; W382-H386 AromaticContact CE2-CE1 3.41Å; W382-H386 VanDerWaalsContact CE2-CE1 3.41Å; W382-H386 AromaticContact CE2-CG 3.86Å; W382-H386 AromaticContact CE2-ND1 3.31Å; W382-H386 VanDerWaalsContact CE2-ND1 3.31Å; W382-H386 AromaticContact CG-CE1 4Å; W382-H386 AromaticContact CG-ND1 3.74Å; W382-H386 HydrophobicContact CH2-CB 4.27Å; W382-H386 HydrophobicContact CZ2-CB 4.39Å; W382-H386 AromaticContact CZ2-CE1 3.94Å; W382-H386 AromaticContact CZ2-CG 3.82Å; W382-H386 AromaticContact CZ2-ND1 3.78Å; W382-H386 HydrophobicContact CZ3-CB 4.42Å; W382-H386 AromaticContact NE1-CE1 3.13Å; W382-H386 PolarHBondContact NE1-CE1 3.36Å; W382-H386 AromaticContact NE1-ND1 3.49Å; W382-H386 PolarHBondContact NE1-ND1 3.24Å; W382-H386 AromaticContact NE1-NE2 3.85Å; W382-H386 WeakPolarHBondContact O-CB 2.91Å; W382-H386 PolarHBondContact O-N 3.15Å; W382-H386 PolarHBondContact O-ND1 2.91Å; W382-Y399 AromaticContact CH2-CD1 3.96Å; W382-Y399 HydrophobicContact CH2-CD1 3.96Å; W382-Y399 AromaticContact CH2-CE1 3.67Å; W382-Y399 HydrophobicContact CH2-CE1 3.67Å; W382-Y399 HydrophobicContact CZ2-CE1 4.32Å; W382-Y399 HydrophobicContact CZ3-CD1 4.34Å; W382-Y399 HydrophobicContact CZ3-CE1 4.49Å |
| 383 | L | 95.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.8 | -52.9 | 179.2 | -179.3 | 62.2 | 0 | 0 | 0 | 110.5 | E379 V380 R385 H386 T387 Y399 D401 I404 M551 | E379-L383 WeakPolarHBondContact O-CB 3.42Å; E379-L383 PolarHBondContact O-N 2.9Å; V380-L383 PolarHBondContact O-N 3.33Å; V380-L383 VanDerWaalsContact O-N 3.15Å; L383-R385 PolarHBondContact O-N 3.47Å; L383-H386 PolarHBondContact O-N 3.4Å; L383-H386 VanDerWaalsContact O-N 3.13Å; L383-T387 WeakPolarHBondContact O-CB 3.5Å; L383-T387 PolarHBondContact O-N 2.95Å; L383-T387 PolarHBondContact O-OG1 3.46Å; L383-Y399 WeakPolarHBondContact CD1-O 3.23Å; L383-D401 HydrophobicContact CD2-CB 3.89Å; L383-I404 HydrophobicContact CD2-CD1 4.04Å; L383-I404 HydrophobicContact CD2-CG1 4.48Å; L383-M551 HydrophobicContact CD2-CE 4Å; L383-M551 HydrophobicContact CG-CE 4.29Å |
| 384 | V | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -53.8 | -50.9 | -176.4 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | V380 H386 E388 F541 H544 M551 | V380-V384 HydrophobicContact CG1-CG2 4.46Å; V380-V384 WeakPolarHBondContact O-CG2 3.49Å; V380-V384 PolarHBondContact O-N 2.91Å; V384-H386 PolarHBondContact O-N 3.14Å; V384-E388 PolarHBondContact O-N 3.05Å; V384-F541 HydrophobicContact CG2-CD1 4.17Å; V384-F541 HydrophobicContact CG2-CE1 3.36Å; V384-F541 HydrophobicContact CG2-CZ 3.64Å; V384-H544 HydrophobicContact CG1-CB 3.56Å; V384-H544 VanDerWaalsContact CG1-CD2 3.45Å; V384-H544 WeakPolarHBondContact CG1-CD2 3.29Å; V384-H544 VanDerWaalsContact CG1-CG 3.42Å; V384-M551 HydrophobicContact CG2-CE 4.34Å |
| 385 | R | 93.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.1 | -34.6 | -178.4 | 73.6 | -177.9 | 179.3 | -102.8 | 6.8 | 112.8 | E257 S288 Y290 T381 W382 L383 N389 | E257-R385 IonicContact OE2-NH2 3.29Å; S288-R385 PolarHBondContact OG-NH2 3.46Å; Y290-R385 PolarHBondContact O-NE 3.03Å; T381-R385 WeakPolarHBondContact O-CG 3.37Å; T381-R385 PolarHBondContact O-N 3.06Å; T381-R385 PolarHBondContact O-NH1 3.2Å; W382-R385 WeakPolarHBondContact O-CG 3.41Å; L383-R385 PolarHBondContact O-N 3.47Å; R385-N389 WeakPolarHBondContact O-CB 3.49Å; R385-N389 PolarHBondContact O-N 3.32Å; R385-N389 PolarHBondContact O-ND2 3.45Å |
| 386 | H | 93.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -79.7 | -36.6 | -179.4 | -72.8 | 87.9 | 0 | 0 | 0 | 112.1 | L289 W382 L383 V384 E388 N389 V390 Y399 | L289-H386 PolarHBondContact N-NE2 3.49Å; W382-H386 AromaticContact CD1-CE1 3.54Å; W382-H386 AromaticContact CD1-ND1 3.76Å; W382-H386 AromaticContact CD2-CE1 4Å; W382-H386 AromaticContact CD2-ND1 3.54Å; W382-H386 AromaticContact CE2-CE1 3.41Å; W382-H386 VanDerWaalsContact CE2-CE1 3.41Å; W382-H386 AromaticContact CE2-CG 3.86Å; W382-H386 AromaticContact CE2-ND1 3.31Å; W382-H386 VanDerWaalsContact CE2-ND1 3.31Å; W382-H386 AromaticContact CG-CE1 4Å; W382-H386 AromaticContact CG-ND1 3.74Å; W382-H386 HydrophobicContact CH2-CB 4.27Å; W382-H386 HydrophobicContact CZ2-CB 4.39Å; W382-H386 AromaticContact CZ2-CE1 3.94Å; W382-H386 AromaticContact CZ2-CG 3.82Å; W382-H386 AromaticContact CZ2-ND1 3.78Å; W382-H386 HydrophobicContact CZ3-CB 4.42Å; W382-H386 AromaticContact NE1-CE1 3.13Å; W382-H386 PolarHBondContact NE1-CE1 3.36Å; W382-H386 AromaticContact NE1-ND1 3.49Å; W382-H386 PolarHBondContact NE1-ND1 3.24Å; W382-H386 AromaticContact NE1-NE2 3.85Å; W382-H386 WeakPolarHBondContact O-CB 2.91Å; W382-H386 PolarHBondContact O-N 3.15Å; W382-H386 PolarHBondContact O-ND1 2.91Å; L383-H386 PolarHBondContact O-N 3.4Å; L383-H386 VanDerWaalsContact O-N 3.13Å; V384-H386 PolarHBondContact O-N 3.14Å; H386-E388 VanDerWaalsContact C-N 3.25Å; H386-E388 PolarHBondContact O-N 3.06Å; H386-N389 PolarHBondContact O-N 3.47Å; H386-V390 HydrophobicContact CB-CG2 4.22Å; H386-V390 WeakPolarHBondContact O-CB 3.35Å; H386-V390 WeakPolarHBondContact O-CG2 3.25Å; H386-V390 PolarHBondContact O-N 3.02Å; H386-Y399 HydrophobicContact CB-CD1 3.74Å; H386-Y399 HydrophobicContact CB-CE1 3.93Å |
| 387 | T | 91.9 | Very high | 90.2 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59 | -37.4 | 174.2 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | L383 Y399 | L383-T387 WeakPolarHBondContact O-CB 3.5Å; L383-T387 PolarHBondContact O-N 2.95Å; L383-T387 PolarHBondContact O-OG1 3.46Å; T387-Y399 PolarHBondContact OG1-O 3.35Å |
| 388 | E | 89.3 | Confident | 89.7 | Confident | 87 Ų | 87 | 50.9 Ų | 50.9 | 41% | 0.407 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -72.5 | -42.7 | 178.2 | -161.2 | 171.4 | 179.3 | 0 | 0 | 113.2 | V384 H386 H544 I547 | V384-E388 PolarHBondContact O-N 3.05Å; H386-E388 VanDerWaalsContact C-N 3.25Å; H386-E388 PolarHBondContact O-N 3.06Å; E388-H544 IonicContact OE2-CE1 2.74Å; E388-H544 PolarHBondContact OE2-CE1 2.98Å; E388-H544 IonicContact OE2-CG 3.46Å; E388-H544 IonicContact OE2-ND1 3.12Å; E388-H544 PolarHBondContact OE2-ND1 3.28Å; E388-I547 HydrophobicContact CB-CD1 3.59Å; E388-I547 HydrophobicContact CG-CD1 4.06Å |
| 389 | N | 89.9 | Confident | 89.3 | Confident | 44 Ų | 44 | 51 Ų | 51 | 24% | 0.235 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -95.9 | -24.2 | -166.6 | -69.7 | -76.7 | 0 | 0 | 0 | 113.5 | Y290 R385 H386 T391 | Y290-N389 HydrophobicContact CD1-CB 4.12Å; Y290-N389 HydrophobicContact CD2-CB 3.9Å; Y290-N389 HydrophobicContact CE1-CB 3.9Å; Y290-N389 HydrophobicContact CE2-CB 3.73Å; Y290-N389 HydrophobicContact CG-CB 4.11Å; Y290-N389 PolarHBondContact OH-O 3.41Å; R385-N389 WeakPolarHBondContact O-CB 3.49Å; R385-N389 PolarHBondContact O-N 3.32Å; R385-N389 PolarHBondContact O-ND2 3.45Å; H386-N389 PolarHBondContact O-N 3.47Å; N389-T391 PolarHBondContact O-N 2.94Å |
| 390 | V | 88 | Confident | 88.9 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 13% | 0.127 | 28% | 0.276 | C | S | . | . | trans | -90.7 | 81.2 | 178.8 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | L289 Y290 H386 T393 Y399 | L289-V390 HydrophobicContact CD1-CG2 3.94Å; Y290-V390 HydrophobicContact CD2-CG2 4.38Å; Y290-V390 HydrophobicContact CE2-CG2 3.93Å; H386-V390 HydrophobicContact CB-CG2 4.22Å; H386-V390 WeakPolarHBondContact O-CB 3.35Å; H386-V390 WeakPolarHBondContact O-CG2 3.25Å; H386-V390 PolarHBondContact O-N 3.02Å; V390-T393 HydrophobicContact CG1-CG2 4.19Å; V390-Y399 HydrophobicContact CB-CE1 4.41Å; V390-Y399 HydrophobicContact CG1-CE1 4.37Å; V390-Y399 HydrophobicContact CG1-CE2 4.19Å; V390-Y399 HydrophobicContact CG2-CE1 4.14Å | ||
| 391 | T | 76.6 | Confident | 88.7 | Confident | 121 Ų | 121 | 53.5 Ų | 53.5 | 74% | 0.742 | 28% | 0.28 | S | S | * | . | trans | -88.5 | -16.2 | -177.6 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | N389 | N389-T391 PolarHBondContact O-N 2.94Š| ||
| 392 | K | 78.1 | Confident | 88.5 | Confident | 197 Ų | 197 | 55.8 Ų | 55.8 | 86% | 0.857 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -130.2 | 97.5 | -178.3 | -66.1 | -178.3 | -178.3 | 179 | 0 | 109.7 | ||
| 393 | T | 83.1 | Confident | 88.4 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 24% | 0.239 | 31% | 0.305 | C | S | . | . | trans | -138.5 | 157.4 | 175.5 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | V390 T395 P396 Y399 | V390-T393 HydrophobicContact CG1-CG2 4.19Å; T393-T395 VanDerWaalsContact C-N 3.32Å; T393-T395 PolarHBondContact OG1-N 2.96Å; T393-P396 HydrophobicContact CG2-CB 4.16Å; T393-Y399 HydrophobicContact CG2-CD2 4.06Å; T393-Y399 HydrophobicContact CG2-CE2 4.12Å | ||
| 394 | K | 82.7 | Confident | 88.5 | Confident | 205 Ų | 205 | 56.9 Ų | 56.9 | 89% | 0.891 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -78.7 | -19.2 | 172.4 | -68.1 | -178.6 | 179 | 177.9 | 0 | 112.5 | P396 | K394-P396 VanDerWaalsContact C-CD 3.47Å; K394-P396 WeakPolarHBondContact O-CD 3.13Å |
| 395 | T | 84.4 | Confident | 88.6 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | trans | -125.4 | 67.5 | -178.3 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | T393 E397 D398 Y399 | T393-T395 VanDerWaalsContact C-N 3.32Å; T393-T395 PolarHBondContact OG1-N 2.96Å; T395-E397 WeakPolarHBondContact CA-OE1 3.26Å; T395-E397 PolarHBondContact O-N 3.43Å; T395-D398 WeakPolarHBondContact CB-OD2 3.41Å; T395-D398 PolarHBondContact O-N 3.44Å; T395-D398 PolarHBondContact OG1-OD2 3.03Å; T395-Y399 WeakPolarHBondContact O-CD2 3.19Å | ||
| 396 | P | 85.2 | Confident | 88.8 | Confident | 79 Ų | 79 | 57.8 Ų | 57.8 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -60.5 | -28 | 179.7 | 25 | -34.4 | 0 | 0 | 0 | 113.3 | T393 K394 D398 Y399 | T393-P396 HydrophobicContact CG2-CB 4.16Å; K394-P396 VanDerWaalsContact C-CD 3.47Å; K394-P396 WeakPolarHBondContact O-CD 3.13Å; P396-D398 VanDerWaalsContact C-N 3.28Å; P396-D398 PolarHBondContact O-N 3.14Å; P396-Y399 PolarHBondContact O-N 2.65Å |
| 397 | E | 85.9 | Confident | 89 | Confident | 116 Ų | 116 | 57.8 Ų | 57.8 | 54% | 0.542 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -59.6 | -30.5 | 176.4 | 57.4 | -79.6 | 179.2 | 0 | 0 | 114 | T395 Y399 A400 | T395-E397 WeakPolarHBondContact CA-OE1 3.26Å; T395-E397 PolarHBondContact O-N 3.43Å; E397-Y399 PolarHBondContact O-N 3.49Å; E397-A400 PolarHBondContact O-N 3.41Å |
| 398 | D | 87.3 | Confident | 89.3 | Confident | 29 Ų | 29 | 55.9 Ų | 55.9 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -68.3 | -23.6 | 179.2 | -69.7 | -29.9 | 0 | 0 | 0 | 112.9 | R341 T395 P396 | R341-D398 PolarHBondContact NH2-O 3.45Å; T395-D398 WeakPolarHBondContact CB-OD2 3.41Å; T395-D398 PolarHBondContact O-N 3.44Å; T395-D398 PolarHBondContact OG1-OD2 3.03Å; P396-D398 VanDerWaalsContact C-N 3.28Å; P396-D398 PolarHBondContact O-N 3.14Å |
| 399 | Y | 89.8 | Confident | 89.7 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -101.3 | 13.4 | -179.3 | -58.2 | -87.6 | 0 | 0 | 0 | 112.5 | W382 L383 H386 T387 V390 T393 T395 P396 E397 | W382-Y399 AromaticContact CH2-CD1 3.96Å; W382-Y399 HydrophobicContact CH2-CD1 3.96Å; W382-Y399 AromaticContact CH2-CE1 3.67Å; W382-Y399 HydrophobicContact CH2-CE1 3.67Å; W382-Y399 HydrophobicContact CZ2-CE1 4.32Å; W382-Y399 HydrophobicContact CZ3-CD1 4.34Å; W382-Y399 HydrophobicContact CZ3-CE1 4.49Å; L383-Y399 WeakPolarHBondContact CD1-O 3.23Å; H386-Y399 HydrophobicContact CB-CD1 3.74Å; H386-Y399 HydrophobicContact CB-CE1 3.93Å; T387-Y399 PolarHBondContact OG1-O 3.35Å; V390-Y399 HydrophobicContact CB-CE1 4.41Å; V390-Y399 HydrophobicContact CG1-CE1 4.37Å; V390-Y399 HydrophobicContact CG1-CE2 4.19Å; V390-Y399 HydrophobicContact CG2-CE1 4.14Å; T393-Y399 HydrophobicContact CG2-CD2 4.06Å; T393-Y399 HydrophobicContact CG2-CE2 4.12Å; T395-Y399 WeakPolarHBondContact O-CD2 3.19Å; P396-Y399 PolarHBondContact O-N 2.65Å; E397-Y399 PolarHBondContact O-N 3.49Å |
| 400 | A | 89.8 | Confident | 90.1 | Very high | 44 Ų | 44 | 50.8 Ų | 50.8 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | trans | -124.6 | 149.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | E397 | E397-A400 PolarHBondContact O-N 3.41Š| ||
| 401 | D | 92.8 | Very high | 90.6 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | trans | -142.2 | 106.3 | 176.7 | -167.3 | -22.2 | 0 | 0 | 0 | 109.1 | R341 R345 L383 S403 I404 | R341-D401 WeakPolarHBondContact CD-OD2 3.5Å; R341-D401 IonicContact CZ-OD2 3.74Å; R341-D401 IonicContact NE-OD2 2.76Å; R341-D401 PolarHBondContact NE-OD2 2.99Å; R345-D401 IonicContact CZ-OD1 3.1Å; R345-D401 IonicContact CZ-OD2 3.22Å; R345-D401 VanDerWaalsContact NH1-CG 3.31Å; R345-D401 IonicContact NH1-OD1 3.46Å; R345-D401 PolarHBondContact NH1-OD1 2.85Å; R345-D401 VanDerWaalsContact NH1-OD1 3.12Å; R345-D401 IonicContact NH1-OD2 3.92Å; R345-D401 PolarHBondContact NH1-OD2 3.44Å; R345-D401 IonicContact NH2-OD1 3.78Å; R345-D401 PolarHBondContact NH2-OD1 3.3Å; R345-D401 IonicContact NH2-OD2 3.32Å; R345-D401 PolarHBondContact NH2-OD2 3.46Å; L383-D401 HydrophobicContact CD2-CB 3.89Å; D401-S403 PolarHBondContact O-N 3.28Å; D401-S403 WeakPolarHBondContact OD1-CA 3.3Å; D401-S403 PolarHBondContact OD1-N 3.28Å; D401-I404 HydrophobicContact CB-CB 4.2Å; D401-I404 WeakPolarHBondContact O-CB 3.45Å; D401-I404 WeakPolarHBondContact O-CG2 3.28Å; D401-I404 PolarHBondContact O-N 3.16Å; D401-I404 PolarHBondContact OD1-N 2.94Å | ||
| 402 | S | 91 | Very high | 91.6 | Very high | 69 Ų | 69 | 44.8 Ų | 44.8 | 48% | 0.483 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.7 | 178.5 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 403 | S | 94.2 | Very high | 92.5 | Very high | 24 Ų | 24 | 37 Ų | 37 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 24.8 | 179 | -49.2 | 0 | 0 | 0 | 0 | 112 | R345 D401 A405 E406 M561 | R345-S403 PolarHBondContact NH1-O 3.49Å; D401-S403 PolarHBondContact O-N 3.28Å; D401-S403 WeakPolarHBondContact OD1-CA 3.3Å; D401-S403 PolarHBondContact OD1-N 3.28Å; S403-A405 VanDerWaalsContact C-N 3.27Å; S403-A405 PolarHBondContact O-N 2.88Å; S403-E406 PolarHBondContact O-N 3.34Å; S403-M561 VanDerWaalsContact OG-CE 3.23Å; S403-M561 WeakPolarHBondContact OG-CE 3.45Å |
| 404 | I | 96.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -34.9 | 177.4 | -167.5 | 58.6 | 0 | 0 | 0 | 111.7 | V380 L383 D401 E406 L407 L408 M551 | V380-I404 HydrophobicContact CG2-CD1 4.11Å; L383-I404 HydrophobicContact CD2-CD1 4.04Å; L383-I404 HydrophobicContact CD2-CG1 4.48Å; D401-I404 HydrophobicContact CB-CB 4.2Å; D401-I404 WeakPolarHBondContact O-CB 3.45Å; D401-I404 WeakPolarHBondContact O-CG2 3.28Å; D401-I404 PolarHBondContact O-N 3.16Å; D401-I404 PolarHBondContact OD1-N 2.94Å; I404-E406 VanDerWaalsContact C-N 3.31Å; I404-E406 PolarHBondContact O-N 3.48Å; I404-L407 HydrophobicContact CD1-CD2 4.39Å; I404-L407 WeakPolarHBondContact O-CB 3.38Å; I404-L407 PolarHBondContact O-N 3.26Å; I404-L408 HydrophobicContact CG1-CD1 4.33Å; I404-L408 HydrophobicContact CG1-CG 4.26Å; I404-L408 WeakPolarHBondContact O-CG 3.42Å; I404-L408 PolarHBondContact O-N 3.22Å; I404-M551 HydrophobicContact CG1-SD 4.27Å; I404-M551 HydrophobicContact CG2-CB 4.02Å; I404-M551 HydrophobicContact CG2-CG 4.03Å; I404-M551 HydrophobicContact CG2-SD 4.18Å |
| 405 | A | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.2 | -42.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S403 L407 L408 F409 T555 F568 | S403-A405 VanDerWaalsContact C-N 3.27Å; S403-A405 PolarHBondContact O-N 2.88Å; A405-L407 VanDerWaalsContact C-N 3.31Å; A405-L407 PolarHBondContact O-N 2.94Å; A405-L408 PolarHBondContact O-N 2.95Å; A405-F409 VanDerWaalsContact O-CB 3.29Å; A405-F409 WeakPolarHBondContact O-CB 3.49Å; A405-F409 PolarHBondContact O-N 3Å; A405-T555 HydrophobicContact CB-CG2 3.57Å; A405-F568 HydrophobicContact CB-CE2 3.77Å; A405-F568 HydrophobicContact CB-CZ 4.32Å |
| 406 | E | 97.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 25.3 Ų | 25.3 | 12% | 0.117 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 176.3 | -176.9 | 169.6 | -152.5 | 0 | 0 | 111.5 | R345 K349 S403 I404 F409 L410 Y564 | R345-E406 WeakPolarHBondContact CD-OE2 3.49Å; R345-E406 HydrophobicContact CG-CG 4.43Å; K349-E406 IonicContact NZ-OE1 3.78Å; K349-E406 PolarHBondContact NZ-OE1 3.28Å; S403-E406 PolarHBondContact O-N 3.34Å; I404-E406 VanDerWaalsContact C-N 3.31Å; I404-E406 PolarHBondContact O-N 3.48Å; E406-F409 PolarHBondContact O-N 2.96Å; E406-L410 HydrophobicContact CG-CD1 4.14Å; E406-L410 WeakPolarHBondContact O-CB 3.39Å; E406-L410 VanDerWaalsContact O-CG 3.22Å; E406-L410 WeakPolarHBondContact O-CG 3.23Å; E406-L410 PolarHBondContact O-N 2.92Å; E406-Y564 HydrophobicContact CB-CD2 3.59Å; E406-Y564 HydrophobicContact CB-CE2 3.6Å; E406-Y564 HydrophobicContact CB-CG 4.09Å; E406-Y564 HydrophobicContact CG-CD2 4.1Å; E406-Y564 HydrophobicContact CG-CE1 4.14Å; E406-Y564 HydrophobicContact CG-CE2 3.65Å; E406-Y564 PolarHBondContact OE1-OH 3.43Å |
| 407 | L | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.5 | -39.3 | -179.5 | -166.6 | 66.3 | 0 | 0 | 0 | 112 | R341 L344 R345 I376 V380 I404 A405 L411 | R341-L407 HydrophobicContact CB-CD2 4.41Å; R341-L407 HydrophobicContact CG-CD2 4.25Å; L344-L407 HydrophobicContact CB-CD1 3.93Å; R345-L407 HydrophobicContact CG-CB 4.15Å; R345-L407 HydrophobicContact CG-CD1 4.01Å; I376-L407 HydrophobicContact CD1-CD1 4.28Å; I376-L407 HydrophobicContact CG1-CD1 3.81Å; I376-L407 HydrophobicContact CG1-CG 4.27Å; I376-L407 HydrophobicContact CG2-CD1 4.18Å; I376-L407 HydrophobicContact CG2-CD2 4.09Å; I376-L407 HydrophobicContact CG2-CG 3.67Å; V380-L407 HydrophobicContact CG2-CD2 4.03Å; I404-L407 HydrophobicContact CD1-CD2 4.39Å; I404-L407 WeakPolarHBondContact O-CB 3.38Å; I404-L407 PolarHBondContact O-N 3.26Å; A405-L407 VanDerWaalsContact C-N 3.31Å; A405-L407 PolarHBondContact O-N 2.94Å; L407-L411 PolarHBondContact O-N 2.91Å; L407-L411 VanDerWaalsContact O-N 3.15Å |
| 408 | L | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 173.9 | -65 | -177.7 | 0 | 0 | 0 | 111.4 | V380 I404 A405 L411 E412 L538 F541 F548 A567 F568 I571 | V380-L408 HydrophobicContact CG1-CD2 3.97Å; V380-L408 HydrophobicContact CG2-CD2 3.98Å; I404-L408 HydrophobicContact CG1-CD1 4.33Å; I404-L408 HydrophobicContact CG1-CG 4.26Å; I404-L408 WeakPolarHBondContact O-CG 3.42Å; I404-L408 PolarHBondContact O-N 3.22Å; A405-L408 PolarHBondContact O-N 2.95Å; L408-L411 WeakPolarHBondContact O-CB 3.26Å; L408-L411 PolarHBondContact O-N 3.34Å; L408-E412 PolarHBondContact O-N 3.34Å; L408-L538 HydrophobicContact CD2-CD1 3.69Å; L408-F541 HydrophobicContact CD2-CE2 4.2Å; L408-F548 HydrophobicContact CD1-CE2 4.47Å; L408-A567 HydrophobicContact CB-CB 3.85Å; L408-F568 HydrophobicContact CD1-CE1 4.33Å; L408-F568 HydrophobicContact CD1-CZ 4.33Å; L408-I571 HydrophobicContact CB-CD1 3.78Å; L408-I571 HydrophobicContact CD1-CD1 3.74Å; L408-I571 HydrophobicContact CD2-CD1 3.73Å; L408-I571 HydrophobicContact CG-CD1 3.92Å |
| 409 | F | 98.3 | Very high | 96.1 | Very high | 21 Ų | 21 | 19.3 Ų | 19.3 | 9% | 0.092 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.6 | -47.6 | 176.7 | 179.5 | -92.2 | 0 | 0 | 0 | 112 | A405 E406 L411 E412 E413 Y564 I566 A567 H692 | A405-F409 VanDerWaalsContact O-CB 3.29Å; A405-F409 WeakPolarHBondContact O-CB 3.49Å; A405-F409 PolarHBondContact O-N 3Å; E406-F409 PolarHBondContact O-N 2.96Å; F409-L411 PolarHBondContact O-N 2.79Å; F409-E412 PolarHBondContact O-N 3.5Å; F409-E413 HydrophobicContact CD1-CG 3.91Å; F409-E413 HydrophobicContact CE1-CG 3.43Å; F409-E413 VanDerWaalsContact CE1-CG 3.43Å; F409-E413 HydrophobicContact CE2-CG 4.45Å; F409-E413 HydrophobicContact CZ-CG 3.73Å; F409-E413 PolarHBondContact O-N 3.38Å; F409-Y564 HydrophobicContact CB-CD1 3.84Å; F409-Y564 HydrophobicContact CB-CG 4.2Å; F409-Y564 AromaticContact CD1-CD1 3.51Å; F409-Y564 HydrophobicContact CD1-CD1 3.51Å; F409-Y564 AromaticContact CD1-CE1 3.93Å; F409-Y564 HydrophobicContact CD1-CE1 3.93Å; F409-Y564 HydrophobicContact CD2-CD1 4.18Å; F409-Y564 HydrophobicContact CE1-CD1 4.08Å; F409-Y564 HydrophobicContact CE1-CE1 4.27Å; F409-Y564 AromaticContact CG-CD1 3.57Å; F409-Y564 HydrophobicContact CG-CD1 3.57Å; F409-Y564 HydrophobicContact CG-CE1 4.43Å; F409-Y564 HydrophobicContact CG-CG 4.34Å; F409-I566 HydrophobicContact CD2-CG2 3.88Å; F409-I566 HydrophobicContact CE2-CG2 3.82Å; F409-A567 HydrophobicContact CB-CB 3.99Å; F409-H692 AromaticContact CE2-CD2 3.71Å; F409-H692 AromaticContact CE2-CE1 3.48Å; F409-H692 VanDerWaalsContact CE2-CE1 3.48Å; F409-H692 WeakPolarHBondContact CE2-CE1 3.29Å; F409-H692 AromaticContact CE2-CG 3.94Å; F409-H692 AromaticContact CE2-ND1 3.79Å; F409-H692 AromaticContact CE2-NE2 3.42Å; F409-H692 WeakPolarHBondContact CE2-NE2 3.24Å; F409-H692 AromaticContact CZ-CE1 3.41Å; F409-H692 VanDerWaalsContact CZ-CE1 3.41Å; F409-H692 WeakPolarHBondContact CZ-CE1 3.4Å; F409-H692 AromaticContact CZ-ND1 3.81Å; F409-H692 AromaticContact CZ-NE2 3.81Å |
| 410 | L | 98.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.8 | -35.8 | 177.2 | -72 | 170.6 | 0 | 0 | 0 | 112.5 | R345 V348 K349 E352 E406 E413 I414 | R345-L410 WeakPolarHBondContact O-CD1 3.25Å; V348-L410 HydrophobicContact CB-CD1 4.37Å; V348-L410 HydrophobicContact CG1-CB 3.97Å; K349-L410 HydrophobicContact CB-CD1 4.01Å; K349-L410 HydrophobicContact CB-CD2 3.89Å; K349-L410 HydrophobicContact CG-CD2 4.21Å; E352-L410 HydrophobicContact CB-CD2 4.37Å; E352-L410 HydrophobicContact CG-CD2 4.49Å; E406-L410 HydrophobicContact CG-CD1 4.14Å; E406-L410 WeakPolarHBondContact O-CB 3.39Å; E406-L410 VanDerWaalsContact O-CG 3.22Å; E406-L410 WeakPolarHBondContact O-CG 3.23Å; E406-L410 PolarHBondContact O-N 2.92Å; L410-E413 PolarHBondContact O-N 3.45Å; L410-I414 WeakPolarHBondContact O-CG1 3.36Å; L410-I414 PolarHBondContact O-N 2.94Å; L410-I414 VanDerWaalsContact O-N 3.09Å |
| 411 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 173.3 | 175.9 | 146.8 | 0 | 0 | 0 | 111.3 | L373 I376 L407 L408 F409 R415 L538 | L373-L411 HydrophobicContact CD2-CB 4.49Å; L373-L411 HydrophobicContact CD2-CG 3.94Å; L373-L411 WeakPolarHBondContact CD2-O 3.2Å; I376-L411 HydrophobicContact CB-CD1 4.05Å; I376-L411 HydrophobicContact CD1-CB 4.06Å; I376-L411 HydrophobicContact CG2-CB 3.98Å; I376-L411 HydrophobicContact CG2-CD1 3.58Å; I376-L411 HydrophobicContact CG2-CG 4.42Å; L407-L411 PolarHBondContact O-N 2.91Å; L407-L411 VanDerWaalsContact O-N 3.15Å; L408-L411 WeakPolarHBondContact O-CB 3.26Å; L408-L411 PolarHBondContact O-N 3.34Å; F409-L411 PolarHBondContact O-N 2.79Å; L411-R415 WeakPolarHBondContact O-CD 3.1Å; L411-R415 VanDerWaalsContact O-CG 3.23Å; L411-R415 WeakPolarHBondContact O-CG 3.33Å; L411-R415 PolarHBondContact O-N 3.16Å; L411-L538 HydrophobicContact CD1-CD1 4Å; L411-L538 HydrophobicContact CD1-CG 4.41Å; L411-L538 HydrophobicContact CD2-CD1 4.1Å |
| 412 | E | 97.8 | Very high | 96.8 | Very high | 15 Ų | 15 | 28 Ų | 28 | 7% | 0.07 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.6 | -36.2 | 176.4 | -75.4 | -53.7 | 114.1 | 0 | 0 | 112.9 | L408 F409 R415 S416 L570 H574 | L408-E412 PolarHBondContact O-N 3.34Å; F409-E412 PolarHBondContact O-N 3.5Å; E412-R415 WeakPolarHBondContact O-CB 3.32Å; E412-R415 PolarHBondContact O-N 3.45Å; E412-R415 WeakPolarHBondContact OE1-CD 3.45Å; E412-R415 IonicContact OE1-NE 3.6Å; E412-R415 PolarHBondContact OE1-NE 2.95Å; E412-R415 IonicContact OE2-NE 3.2Å; E412-S416 VanDerWaalsContact O-CB 3.29Å; E412-S416 WeakPolarHBondContact O-CB 3.46Å; E412-S416 PolarHBondContact O-N 3.16Å; E412-L570 HydrophobicContact CB-CD1 4.31Å; E412-L570 HydrophobicContact CG-CB 4.07Å; E412-L570 HydrophobicContact CG-CD1 4.31Å; E412-H574 IonicContact OE1-CE1 2.78Å; E412-H574 PolarHBondContact OE1-CE1 3.12Å; E412-H574 IonicContact OE1-NE2 2.7Å; E412-H574 PolarHBondContact OE1-NE2 2.82Å; E412-H574 IonicContact OE2-NE2 2.97Å |
| 413 | E | 97.3 | Very high | 96.9 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 15% | 0.154 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65 | -45 | 177.4 | -74.6 | -66 | 77.5 | 0 | 0 | 112.2 | E352 F409 L410 R415 S416 L417 H692 | E352-E413 HydrophobicContact CG-CB 3.74Å; F409-E413 HydrophobicContact CD1-CG 3.91Å; F409-E413 HydrophobicContact CE1-CG 3.43Å; F409-E413 VanDerWaalsContact CE1-CG 3.43Å; F409-E413 HydrophobicContact CE2-CG 4.45Å; F409-E413 HydrophobicContact CZ-CG 3.73Å; F409-E413 PolarHBondContact O-N 3.38Å; L410-E413 PolarHBondContact O-N 3.45Å; E413-R415 VanDerWaalsContact C-N 3.3Å; E413-R415 PolarHBondContact O-N 2.96Å; E413-S416 WeakPolarHBondContact O-CB 3.39Å; E413-S416 PolarHBondContact O-N 2.84Å; E413-L417 WeakPolarHBondContact O-CB 3.39Å; E413-L417 WeakPolarHBondContact O-CG 3.25Å; E413-L417 PolarHBondContact O-N 3.36Å; E413-H692 VanDerWaalsContact CD-CE1 3.44Å; E413-H692 IonicContact OE1-CE1 3.3Å; E413-H692 PolarHBondContact OE1-CE1 3.49Å; E413-H692 IonicContact OE1-NE2 3.61Å; E413-H692 PolarHBondContact OE1-NE2 3.04Å; E413-H692 IonicContact OE2-CE1 3.94Å |
| 414 | I | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 174.7 | -65.3 | -66 | 0 | 0 | 0 | 110.8 | V348 L351 E352 L355 A369 L373 L410 L417 V418 | V348-I414 HydrophobicContact CG1-CG1 4.06Å; L351-I414 HydrophobicContact CG-CD1 4.48Å; E352-I414 HydrophobicContact CB-CD1 3.71Å; E352-I414 HydrophobicContact CB-CG1 4.37Å; E352-I414 HydrophobicContact CG-CD1 4.25Å; L355-I414 HydrophobicContact CD1-CD1 4.22Å; A369-I414 HydrophobicContact CB-CG2 3.84Å; L373-I414 HydrophobicContact CD1-CG2 4.07Å; L373-I414 HydrophobicContact CD2-CB 3.92Å; L373-I414 HydrophobicContact CD2-CG2 3.81Å; L373-I414 HydrophobicContact CG-CB 4.43Å; L373-I414 HydrophobicContact CG-CG2 3.78Å; L410-I414 WeakPolarHBondContact O-CG1 3.36Å; L410-I414 PolarHBondContact O-N 2.94Å; L410-I414 VanDerWaalsContact O-N 3.09Å; I414-L417 PolarHBondContact O-N 3.23Å; I414-V418 VanDerWaalsContact O-CG2 3.32Å; I414-V418 WeakPolarHBondContact O-CG2 3.37Å; I414-V418 PolarHBondContact O-N 3Å |
| 415 | R | 97.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 1% | 0.011 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 175.4 | -69.6 | 161.9 | 61.3 | 67.7 | -2.5 | 111.4 | L373 L411 E412 E413 V418 R419 L532 S536 H574 | L373-R415 HydrophobicContact CD1-CG 4.19Å; L373-R415 HydrophobicContact CD2-CG 3.93Å; L411-R415 WeakPolarHBondContact O-CD 3.1Å; L411-R415 VanDerWaalsContact O-CG 3.23Å; L411-R415 WeakPolarHBondContact O-CG 3.33Å; L411-R415 PolarHBondContact O-N 3.16Å; E412-R415 WeakPolarHBondContact O-CB 3.32Å; E412-R415 PolarHBondContact O-N 3.45Å; E412-R415 WeakPolarHBondContact OE1-CD 3.45Å; E412-R415 IonicContact OE1-NE 3.6Å; E412-R415 PolarHBondContact OE1-NE 2.95Å; E412-R415 IonicContact OE2-NE 3.2Å; E413-R415 VanDerWaalsContact C-N 3.3Å; E413-R415 PolarHBondContact O-N 2.96Å; R415-V418 PolarHBondContact O-N 3.47Å; R415-R419 WeakPolarHBondContact O-CG 3.31Å; R415-R419 PolarHBondContact O-N 2.88Å; R415-L532 HydrophobicContact CB-CD2 4.5Å; R415-L532 HydrophobicContact CG-CD2 4.13Å; R415-L532 PolarHBondContact NH1-O 3.31Å; R415-S536 WeakPolarHBondContact CD-OG 3.49Å; R415-S536 PolarHBondContact NH1-OG 3.02Å; R415-H574 VanDerWaalsContact CZ-NE2 3.28Å; R415-H574 PolarHBondContact NE-NE2 3.12Å; R415-H574 PolarHBondContact NH2-CD2 2.67Å; R415-H574 PolarHBondContact NH2-NE2 3.23Å |
| 416 | S | 96.3 | Very high | 96.8 | Very high | 37 Ų | 37 | 34.3 Ų | 34.3 | 26% | 0.259 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.1 | -46.6 | 177.8 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | E412 E413 R419 R420 | E412-S416 VanDerWaalsContact O-CB 3.29Å; E412-S416 WeakPolarHBondContact O-CB 3.46Å; E412-S416 PolarHBondContact O-N 3.16Å; E413-S416 WeakPolarHBondContact O-CB 3.39Å; E413-S416 PolarHBondContact O-N 2.84Å; S416-R419 PolarHBondContact O-N 2.82Å; S416-R420 WeakPolarHBondContact O-CB 3.32Å; S416-R420 PolarHBondContact O-N 3.27Å; S416-R420 PolarHBondContact OG-NH2 3.22Å |
| 417 | L | 96.8 | Very high | 96.6 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.1 | -47.2 | 176.6 | -72.6 | 173.6 | 0 | 0 | 0 | 111.9 | E352 L355 A356 L362 E413 I414 R419 R420 H421 | E352-L417 HydrophobicContact CG-CD1 4.11Å; L355-L417 HydrophobicContact CB-CD1 4.15Å; A356-L417 HydrophobicContact CB-CD1 4.19Å; A356-L417 HydrophobicContact CB-CD2 4.01Å; L362-L417 HydrophobicContact CD1-CB 4.48Å; E413-L417 WeakPolarHBondContact O-CB 3.39Å; E413-L417 WeakPolarHBondContact O-CG 3.25Å; E413-L417 PolarHBondContact O-N 3.36Å; I414-L417 PolarHBondContact O-N 3.23Å; L417-R419 PolarHBondContact O-N 3.14Å; L417-R420 PolarHBondContact O-N 2.95Å; L417-H421 WeakPolarHBondContact O-CB 3.21Å; L417-H421 PolarHBondContact O-CD2 2.85Å; L417-H421 PolarHBondContact O-N 3.26Å |
| 418 | V | 97.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 177.8 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | L362 A369 F370 I414 R415 I422 I425 V528 L532 | L362-V418 HydrophobicContact CD2-CG2 4.26Å; A369-V418 HydrophobicContact CB-CG2 4.26Å; F370-V418 HydrophobicContact CZ-CG1 4.34Å; I414-V418 VanDerWaalsContact O-CG2 3.32Å; I414-V418 WeakPolarHBondContact O-CG2 3.37Å; I414-V418 PolarHBondContact O-N 3Å; R415-V418 PolarHBondContact O-N 3.47Å; V418-I422 WeakPolarHBondContact O-CA 3.44Å; V418-I422 PolarHBondContact O-N 3.45Å; V418-I422 VanDerWaalsContact O-N 3.1Å; V418-I425 HydrophobicContact CB-CD1 4.41Å; V418-I425 HydrophobicContact CG1-CD1 3.83Å; V418-I425 HydrophobicContact CG2-CD1 4.49Å; V418-V528 HydrophobicContact CG1-CG1 3.39Å; V418-L532 HydrophobicContact CB-CD1 4.47Å; V418-L532 HydrophobicContact CB-CD2 4.15Å; V418-L532 HydrophobicContact CG1-CD1 4.02Å; V418-L532 HydrophobicContact CG1-CD2 3.99Å; V418-L532 HydrophobicContact CG1-CG 4.25Å; V418-L532 HydrophobicContact CG2-CD2 4.45Å |
| 419 | R | 95.9 | Very high | 96.3 | Very high | 90 Ų | 90 | 39.7 Ų | 39.7 | 34% | 0.34 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.6 | -45.6 | 177.5 | -72.2 | -177.9 | -175.2 | 124.7 | -4.2 | 112.3 | R415 S416 L417 H421 I422 E529 L532 | R415-R419 WeakPolarHBondContact O-CG 3.31Å; R415-R419 PolarHBondContact O-N 2.88Å; S416-R419 PolarHBondContact O-N 2.82Å; L417-R419 PolarHBondContact O-N 3.14Å; R419-H421 VanDerWaalsContact C-N 3.3Å; R419-H421 PolarHBondContact O-N 2.89Å; R419-I422 WeakPolarHBondContact O-CG2 3.3Å; R419-I422 PolarHBondContact O-N 3.26Å; R419-E529 IonicContact CZ-OE1 2.78Å; R419-E529 IonicContact CZ-OE2 3.27Å; R419-E529 IonicContact NE-OE1 2.89Å; R419-E529 PolarHBondContact NE-OE1 3.11Å; R419-E529 IonicContact NE-OE2 2.79Å; R419-E529 PolarHBondContact NE-OE2 3.47Å; R419-E529 IonicContact NH2-OE1 2.74Å; R419-E529 PolarHBondContact NH2-OE1 2.95Å; R419-E529 IonicContact NH2-OE2 2.93Å; R419-L532 HydrophobicContact CG-CD1 3.83Å |
| 420 | R | 95.8 | Very high | 96.2 | Very high | 163 Ų | 163 | 38.8 Ų | 38.8 | 62% | 0.615 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -62.1 | -38.4 | -178.5 | -172.8 | -178.1 | -60.8 | 165.4 | 4.3 | 111.8 | S416 L417 | S416-R420 WeakPolarHBondContact O-CB 3.32Å; S416-R420 PolarHBondContact O-N 3.27Å; S416-R420 PolarHBondContact OG-NH2 3.22Å; L417-R420 PolarHBondContact O-N 2.95Å |
| 421 | H | 96.3 | Very high | 95.9 | Very high | 45 Ų | 45 | 42.2 Ų | 42.2 | 21% | 0.208 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 24.7 | -176 | -60.4 | -73.4 | 0 | 0 | 0 | 113.5 | P359 L362 L417 R419 K423 V424 I425 | P359-H421 HydrophobicContact CB-CB 4.47Å; L362-H421 HydrophobicContact CD1-CB 3.64Å; L417-H421 WeakPolarHBondContact O-CB 3.21Å; L417-H421 PolarHBondContact O-CD2 2.85Å; L417-H421 PolarHBondContact O-N 3.26Å; R419-H421 VanDerWaalsContact C-N 3.3Å; R419-H421 PolarHBondContact O-N 2.89Å; H421-K423 PolarHBondContact O-N 3.43Å; H421-K423 VanDerWaalsContact O-N 3.1Å; H421-V424 HydrophobicContact CB-CG2 4.35Å; H421-V424 WeakPolarHBondContact O-CB 3.23Å; H421-V424 PolarHBondContact O-N 2.96Å; H421-I425 PolarHBondContact O-N 3.28Å |
| 422 | I | 95.1 | Very high | 95.7 | Very high | 48 Ų | 48 | 44.2 Ų | 44.2 | 25% | 0.246 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -52.6 | -37.3 | -179.5 | -172.2 | 60.4 | 0 | 0 | 0 | 113 | V418 R419 V424 I425 Q426 V528 | V418-I422 WeakPolarHBondContact O-CA 3.44Å; V418-I422 PolarHBondContact O-N 3.45Å; V418-I422 VanDerWaalsContact O-N 3.1Å; R419-I422 WeakPolarHBondContact O-CG2 3.3Å; R419-I422 PolarHBondContact O-N 3.26Å; I422-V424 VanDerWaalsContact C-N 3.31Å; I422-V424 PolarHBondContact O-N 3.46Å; I422-I425 WeakPolarHBondContact O-CB 3.37Å; I422-I425 PolarHBondContact O-N 3.29Å; I422-Q426 HydrophobicContact CD1-CG 4.49Å; I422-Q426 HydrophobicContact CG1-CG 4.32Å; I422-Q426 VanDerWaalsContact O-CG 3.3Å; I422-Q426 WeakPolarHBondContact O-CG 3.42Å; I422-Q426 PolarHBondContact O-N 3.35Å; I422-V528 HydrophobicContact CD1-CB 3.51Å; I422-V528 HydrophobicContact CD1-CG1 3.6Å; I422-V528 HydrophobicContact CD1-CG2 3.51Å |
| 423 | K | 93.4 | Very high | 95.6 | Very high | 143 Ų | 143 | 43.5 Ų | 43.5 | 62% | 0.622 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -61.8 | -37.4 | 178.2 | -67.7 | -173.7 | 176.8 | -174.4 | 0 | 112.7 | H421 Q426 Q427 | H421-K423 PolarHBondContact O-N 3.43Å; H421-K423 VanDerWaalsContact O-N 3.1Å; K423-Q426 PolarHBondContact O-N 3.26Å; K423-Q427 WeakPolarHBondContact O-CB 3.41Å; K423-Q427 VanDerWaalsContact O-CG 3.29Å; K423-Q427 WeakPolarHBondContact O-CG 3.39Å; K423-Q427 PolarHBondContact O-N 3.03Å |
| 424 | V | 95 | Very high | 95.4 | Very high | 44 Ų | 44 | 42.9 Ų | 42.9 | 27% | 0.267 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.5 | -45.5 | 177.9 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | H421 I422 Q426 Q427 Y428 | H421-V424 HydrophobicContact CB-CG2 4.35Å; H421-V424 WeakPolarHBondContact O-CB 3.23Å; H421-V424 PolarHBondContact O-N 2.96Å; I422-V424 VanDerWaalsContact C-N 3.31Å; I422-V424 PolarHBondContact O-N 3.46Å; V424-Q426 VanDerWaalsContact C-N 3.32Å; V424-Q426 PolarHBondContact O-N 3.3Å; V424-Q427 PolarHBondContact O-N 2.92Å; V424-Y428 WeakPolarHBondContact O-CB 3.49Å; V424-Y428 PolarHBondContact O-N 3.13Å |
| 425 | I | 95.4 | Very high | 95 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.3 | -46.7 | 176.3 | -62.1 | 173.8 | 0 | 0 | 0 | 109.9 | L362 V418 H421 I422 H429 M524 | L362-I425 HydrophobicContact CB-CD1 4.23Å; L362-I425 HydrophobicContact CB-CG1 3.87Å; V418-I425 HydrophobicContact CB-CD1 4.41Å; V418-I425 HydrophobicContact CG1-CD1 3.83Å; V418-I425 HydrophobicContact CG2-CD1 4.49Å; H421-I425 PolarHBondContact O-N 3.28Å; I422-I425 WeakPolarHBondContact O-CB 3.37Å; I422-I425 PolarHBondContact O-N 3.29Å; I425-H429 PolarHBondContact O-N 2.81Å; I425-H429 VanDerWaalsContact O-N 3.07Å; I425-H429 PolarHBondContact O-ND1 3.4Å; I425-M524 HydrophobicContact CG2-CB 3.87Å; I425-M524 HydrophobicContact CG2-CG 4.27Å; I425-M524 HydrophobicContact CG2-SD 3.86Å |
| 426 | Q | 94.9 | Very high | 94.8 | Very high | 39 Ų | 39 | 55.8 Ų | 55.8 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -47.5 | -180 | -72.6 | 176.1 | -33 | 0 | 0 | 112.5 | I422 K423 V424 Y428 H429 L430 V474 L525 | I422-Q426 HydrophobicContact CD1-CG 4.49Å; I422-Q426 HydrophobicContact CG1-CG 4.32Å; I422-Q426 VanDerWaalsContact O-CG 3.3Å; I422-Q426 WeakPolarHBondContact O-CG 3.42Å; I422-Q426 PolarHBondContact O-N 3.35Å; K423-Q426 PolarHBondContact O-N 3.26Å; V424-Q426 VanDerWaalsContact C-N 3.32Å; V424-Q426 PolarHBondContact O-N 3.3Å; Q426-Y428 VanDerWaalsContact C-N 3.35Å; Q426-Y428 PolarHBondContact O-N 2.95Å; Q426-H429 PolarHBondContact O-N 3.18Å; Q426-L430 VanDerWaalsContact O-CB 3.25Å; Q426-L430 WeakPolarHBondContact O-CB 3.5Å; Q426-L430 PolarHBondContact O-N 2.95Å; Q426-V474 HydrophobicContact CB-CG1 4.19Å; Q426-V474 HydrophobicContact CB-CG2 4.36Å; Q426-L525 HydrophobicContact CB-CD2 4.07Å; Q426-L525 HydrophobicContact CG-CD2 4.34Å; Q426-L525 PolarHBondContact NE2-O 3.45Å; Q426-L525 WeakPolarHBondContact O-CD2 3.43Å |
| 427 | Q | 94.1 | Very high | 94.7 | Very high | 71 Ų | 71 | 54 Ų | 54 | 33% | 0.332 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 179.1 | -75.7 | 177.8 | -19 | 0 | 0 | 111.7 | K423 V424 Q431 V474 D475 | K423-Q427 WeakPolarHBondContact O-CB 3.41Å; K423-Q427 VanDerWaalsContact O-CG 3.29Å; K423-Q427 WeakPolarHBondContact O-CG 3.39Å; K423-Q427 PolarHBondContact O-N 3.03Å; V424-Q427 PolarHBondContact O-N 2.92Å; Q427-Q431 WeakPolarHBondContact O-CG 3.38Å; Q427-Q431 PolarHBondContact O-N 2.89Å; Q427-V474 HydrophobicContact CG-CB 4.19Å; Q427-V474 HydrophobicContact CG-CG1 3.61Å; Q427-D475 PolarHBondContact NE2-OD1 3.03Å; Q427-D475 VanDerWaalsContact NE2-OD1 3.14Å |
| 428 | Y | 95.5 | Very high | 94.6 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 24% | 0.243 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -52 | 179.2 | -178.1 | -92.2 | 0 | 0 | 0 | 111.8 | G363 P364 V424 Q426 L430 Q431 Y432 | G363-Y428 VanDerWaalsContact C-CD1 3.4Å; G363-Y428 WeakPolarHBondContact O-CD1 3.35Å; P364-Y428 HydrophobicContact CB-CE1 4.47Å; P364-Y428 HydrophobicContact CB-CE2 4.26Å; V424-Y428 WeakPolarHBondContact O-CB 3.49Å; V424-Y428 PolarHBondContact O-N 3.13Å; Q426-Y428 VanDerWaalsContact C-N 3.35Å; Q426-Y428 PolarHBondContact O-N 2.95Å; Y428-L430 VanDerWaalsContact C-N 3.35Å; Y428-L430 PolarHBondContact O-N 3.41Å; Y428-Q431 PolarHBondContact O-N 2.92Å; Y428-Y432 AromaticContact CE1-CD2 3.76Å; Y428-Y432 HydrophobicContact CE1-CD2 3.76Å; Y428-Y432 HydrophobicContact CE1-CE2 4.33Å; Y428-Y432 PolarHBondContact O-N 3.43Å; Y428-Y432 VanDerWaalsContact O-N 3.1Å |
| 429 | H | 95.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.6 | -28.1 | -176.1 | -70 | 89.7 | 0 | 0 | 0 | 113.1 | G363 I425 Q426 Y432 L433 H521 M524 L525 | G363-H429 PolarHBondContact O-CE1 3.21Å; I425-H429 PolarHBondContact O-N 2.81Å; I425-H429 VanDerWaalsContact O-N 3.07Å; I425-H429 PolarHBondContact O-ND1 3.4Å; Q426-H429 PolarHBondContact O-N 3.18Å; H429-Y432 PolarHBondContact O-N 3.4Å; H429-L433 WeakPolarHBondContact O-CB 3.47Å; H429-L433 WeakPolarHBondContact O-CG 3.32Å; H429-L433 PolarHBondContact O-N 3.06Å; H429-H521 AromaticContact CD2-CD2 3.4Å; H429-H521 PolarHBondContact CD2-CD2 2.87Å; H429-H521 VanDerWaalsContact CD2-CD2 3.4Å; H429-H521 AromaticContact CD2-CG 3.89Å; H429-H521 AromaticContact NE2-CD2 3.94Å; H429-M524 HydrophobicContact CB-CB 3.82Å; H429-M524 VanDerWaalsContact CG-CB 3.42Å; H429-L525 HydrophobicContact CB-CD2 4.23Å |
| 430 | L | 95.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 172.1 | -174.9 | 153.3 | 0 | 0 | 0 | 110.8 | Q426 Y428 Y432 L433 A434 L469 N470 L471 V474 F480 L525 | Q426-L430 VanDerWaalsContact O-CB 3.25Å; Q426-L430 WeakPolarHBondContact O-CB 3.5Å; Q426-L430 PolarHBondContact O-N 2.95Å; Y428-L430 VanDerWaalsContact C-N 3.35Å; Y428-L430 PolarHBondContact O-N 3.41Å; L430-Y432 VanDerWaalsContact C-N 3.29Å; L430-Y432 PolarHBondContact O-N 2.96Å; L430-L433 PolarHBondContact O-N 2.96Å; L430-A434 VanDerWaalsContact O-CB 3.3Å; L430-A434 WeakPolarHBondContact O-CB 3.37Å; L430-A434 PolarHBondContact O-N 3.39Å; L430-L469 HydrophobicContact CD2-CB 4.34Å; L430-L469 HydrophobicContact CG-CB 4.18Å; L430-N470 WeakPolarHBondContact CD1-O 3.38Å; L430-L471 HydrophobicContact CD2-CD2 4.34Å; L430-L471 HydrophobicContact CD2-CG 4.3Å; L430-V474 HydrophobicContact CB-CG2 4.46Å; L430-V474 HydrophobicContact CD1-CG2 3.55Å; L430-F480 HydrophobicContact CD1-CE1 3.95Å; L430-F480 HydrophobicContact CD1-CZ 3.77Å; L430-L525 HydrophobicContact CB-CD1 4.41Å; L430-L525 HydrophobicContact CB-CD2 4.06Å |
| 431 | Q | 93.2 | Very high | 94.2 | Very high | 77 Ų | 77 | 49.4 Ų | 49.4 | 36% | 0.36 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.4 | -39.7 | 177.6 | -66.3 | 179.6 | 15.6 | 0 | 0 | 111.3 | Q427 Y428 R435 L471 | Q427-Q431 WeakPolarHBondContact O-CG 3.38Å; Q427-Q431 PolarHBondContact O-N 2.89Å; Y428-Q431 PolarHBondContact O-N 2.92Å; Q431-R435 VanDerWaalsContact O-CB 3.26Å; Q431-R435 WeakPolarHBondContact O-CB 3.5Å; Q431-R435 PolarHBondContact O-N 3.42Å; Q431-L471 HydrophobicContact CG-CD1 4.08Å; Q431-L471 HydrophobicContact CG-CD2 3.74Å; Q431-L471 HydrophobicContact CG-CG 4.08Å |
| 432 | Y | 94 | Very high | 94.1 | Very high | 41 Ų | 41 | 48.7 Ų | 48.7 | 16% | 0.161 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -50.4 | 177.6 | -143.3 | -57.8 | 0 | 0 | 0 | 111.2 | P240 Y428 H429 L430 F436 D437 H521 | P240-Y432 HydrophobicContact CB-CE2 4.03Å; P240-Y432 HydrophobicContact CG-CE2 4.11Å; Y428-Y432 AromaticContact CE1-CD2 3.76Å; Y428-Y432 HydrophobicContact CE1-CD2 3.76Å; Y428-Y432 HydrophobicContact CE1-CE2 4.33Å; Y428-Y432 PolarHBondContact O-N 3.43Å; Y428-Y432 VanDerWaalsContact O-N 3.1Å; H429-Y432 PolarHBondContact O-N 3.4Å; L430-Y432 VanDerWaalsContact C-N 3.29Å; L430-Y432 PolarHBondContact O-N 2.96Å; Y432-F436 HydrophobicContact CD1-CB 3.97Å; Y432-F436 AromaticContact CD1-CD1 3.95Å; Y432-F436 HydrophobicContact CD1-CD1 3.95Å; Y432-F436 HydrophobicContact CD1-CG 4.27Å; Y432-F436 HydrophobicContact CE1-CB 4.06Å; Y432-F436 AromaticContact CE1-CD1 3.33Å; Y432-F436 HydrophobicContact CE1-CD1 3.33Å; Y432-F436 AromaticContact CE1-CE1 3.93Å; Y432-F436 HydrophobicContact CE1-CE1 3.93Å; Y432-F436 AromaticContact CE1-CG 3.86Å; Y432-F436 HydrophobicContact CE1-CG 3.86Å; Y432-F436 WeakPolarHBondContact O-CA 3.37Å; Y432-F436 WeakPolarHBondContact O-CB 3.41Å; Y432-F436 PolarHBondContact O-N 2.64Å; Y432-D437 WeakPolarHBondContact CD1-OD1 3.39Å; Y432-D437 PolarHBondContact O-N 3.27Å; Y432-H521 AromaticContact CD1-CE1 3.51Å; Y432-H521 AromaticContact CD1-ND1 3.84Å; Y432-H521 AromaticContact CE1-CE1 3.72Å; Y432-H521 AromaticContact CG-CE1 3.79Å |
| 433 | L | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -60.6 | -48.5 | 178.7 | -77.5 | 169.6 | 0 | 0 | 0 | 112.3 | H429 L430 D437 A438 L466 L469 I518 H521 L525 | H429-L433 WeakPolarHBondContact O-CB 3.47Å; H429-L433 WeakPolarHBondContact O-CG 3.32Å; H429-L433 PolarHBondContact O-N 3.06Å; L430-L433 PolarHBondContact O-N 2.96Å; L433-D437 WeakPolarHBondContact CA-OD2 3.25Å; L433-D437 HydrophobicContact CD2-CB 4.33Å; L433-D437 WeakPolarHBondContact CD2-OD2 3.43Å; L433-A438 WeakPolarHBondContact O-CB 3.43Å; L433-A438 PolarHBondContact O-N 3.1Å; L433-A438 VanDerWaalsContact O-N 3.08Å; L433-L466 HydrophobicContact CB-CD2 4.2Å; L433-L466 HydrophobicContact CD1-CD2 4.49Å; L433-L466 HydrophobicContact CD2-CD1 4.48Å; L433-L466 HydrophobicContact CD2-CD2 3.74Å; L433-L466 HydrophobicContact CG-CD2 4.35Å; L433-L469 HydrophobicContact CB-CD1 3.95Å; L433-L469 HydrophobicContact CD1-CD1 4.27Å; L433-I518 HydrophobicContact CD2-CB 4.42Å; L433-I518 HydrophobicContact CD2-CG1 4.36Å; L433-I518 HydrophobicContact CD2-CG2 4.01Å; L433-H521 HydrophobicContact CD1-CB 4.11Å; L433-H521 HydrophobicContact CD2-CB 3.64Å; L433-H521 HydrophobicContact CG-CB 3.76Å; L433-L525 HydrophobicContact CD1-CD1 3.56Å; L433-L525 HydrophobicContact CD1-CG 4.19Å |
| 434 | A | 93 | Very high | 93.9 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 17% | 0.174 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -73.6 | -37.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L430 L466 L469 | L430-A434 VanDerWaalsContact O-CB 3.3Å; L430-A434 WeakPolarHBondContact O-CB 3.37Å; L430-A434 PolarHBondContact O-N 3.39Å; A434-L466 WeakPolarHBondContact CA-O 3.37Å; A434-L469 HydrophobicContact CB-CB 4.01Å |
| 435 | R | 90.4 | Very high | 93.7 | Very high | 170 Ų | 170 | 44.9 Ų | 44.9 | 64% | 0.642 | 22% | 0.215 | S | C | * | . | I | π-helix | trans | -107.2 | -20.9 | -168.5 | -59.5 | -175.5 | 175.9 | -175.1 | -0.5 | 114.5 | Q431 L439 | Q431-R435 VanDerWaalsContact O-CB 3.26Å; Q431-R435 WeakPolarHBondContact O-CB 3.5Å; Q431-R435 PolarHBondContact O-N 3.42Å; R435-L439 WeakPolarHBondContact O-CD1 3.25Å |
| 436 | F | 92.9 | Very high | 93.4 | Very high | 105 Ų | 105 | 51.8 Ų | 51.8 | 46% | 0.461 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -118.2 | -60.3 | -179.2 | -176.3 | -89.8 | 0 | 0 | 0 | 111 | Y432 A438 L439 V440 | Y432-F436 HydrophobicContact CD1-CB 3.97Å; Y432-F436 AromaticContact CD1-CD1 3.95Å; Y432-F436 HydrophobicContact CD1-CD1 3.95Å; Y432-F436 HydrophobicContact CD1-CG 4.27Å; Y432-F436 HydrophobicContact CE1-CB 4.06Å; Y432-F436 AromaticContact CE1-CD1 3.33Å; Y432-F436 HydrophobicContact CE1-CD1 3.33Å; Y432-F436 AromaticContact CE1-CE1 3.93Å; Y432-F436 HydrophobicContact CE1-CE1 3.93Å; Y432-F436 AromaticContact CE1-CG 3.86Å; Y432-F436 HydrophobicContact CE1-CG 3.86Å; Y432-F436 WeakPolarHBondContact O-CA 3.37Å; Y432-F436 WeakPolarHBondContact O-CB 3.41Å; Y432-F436 PolarHBondContact O-N 2.64Å; F436-A438 VanDerWaalsContact C-N 3.34Å; F436-A438 PolarHBondContact O-N 3.29Å; F436-L439 PolarHBondContact O-N 3.28Å; F436-L439 VanDerWaalsContact O-N 3.08Å; F436-V440 HydrophobicContact CD1-CG2 4.08Å; F436-V440 HydrophobicContact CE1-CG2 3.76Å; F436-V440 HydrophobicContact CE2-CG2 4.18Å; F436-V440 HydrophobicContact CG-CG2 4.47Å; F436-V440 HydrophobicContact CZ-CG2 3.81Å; F436-V440 WeakPolarHBondContact O-CG2 3.49Å; F436-V440 PolarHBondContact O-N 3.46Å |
| 437 | D | 94.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -63.5 | -40.6 | -171.3 | -60.6 | -34.3 | 0 | 0 | 0 | 112.2 | Y432 L433 L439 V440 L441 I518 H521 | Y432-D437 WeakPolarHBondContact CD1-OD1 3.39Å; Y432-D437 PolarHBondContact O-N 3.27Å; L433-D437 WeakPolarHBondContact CA-OD2 3.25Å; L433-D437 HydrophobicContact CD2-CB 4.33Å; L433-D437 WeakPolarHBondContact CD2-OD2 3.43Å; D437-L439 VanDerWaalsContact C-N 3.3Å; D437-L439 PolarHBondContact O-N 3.41Å; D437-V440 PolarHBondContact O-N 3.01Å; D437-L441 WeakPolarHBondContact O-CB 3.35Å; D437-L441 PolarHBondContact O-N 3.39Å; D437-I518 HydrophobicContact CB-CD1 4Å; D437-I518 HydrophobicContact CB-CG1 3.65Å; D437-H521 IonicContact OD1-CE1 3.29Å; D437-H521 IonicContact OD1-ND1 3.6Å; D437-H521 IonicContact OD2-CE1 3.85Å; D437-H521 IonicContact OD2-CG 3.27Å; D437-H521 IonicContact OD2-ND1 2.79Å; D437-H521 PolarHBondContact OD2-ND1 2.97Å |
| 438 | A | 94.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59 | -39.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L433 F436 S442 L466 | L433-A438 WeakPolarHBondContact O-CB 3.43Å; L433-A438 PolarHBondContact O-N 3.1Å; L433-A438 VanDerWaalsContact O-N 3.08Å; F436-A438 VanDerWaalsContact C-N 3.34Å; F436-A438 PolarHBondContact O-N 3.29Å; A438-S442 VanDerWaalsContact O-CB 3.29Å; A438-S442 WeakPolarHBondContact O-CB 3.42Å; A438-S442 PolarHBondContact O-N 3.34Å; A438-L466 HydrophobicContact CB-CB 3.84Å |
| 439 | L | 93.9 | Very high | 92 | Very high | 118 Ų | 118 | 56.1 Ų | 56.1 | 62% | 0.618 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -71.9 | -46.9 | -179.8 | -63.6 | -178.2 | 0 | 0 | 0 | 111.3 | R435 F436 D437 S442 D443 | R435-L439 WeakPolarHBondContact O-CD1 3.25Å; F436-L439 PolarHBondContact O-N 3.28Å; F436-L439 VanDerWaalsContact O-N 3.08Å; D437-L439 VanDerWaalsContact C-N 3.3Å; D437-L439 PolarHBondContact O-N 3.41Å; L439-S442 PolarHBondContact O-N 2.88Å; L439-D443 PolarHBondContact O-N 3.36Å |
| 440 | V | 94 | Very high | 91.3 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 27% | 0.267 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 178.4 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | F436 D437 S442 D443 I444 V514 | F436-V440 HydrophobicContact CD1-CG2 4.08Å; F436-V440 HydrophobicContact CE1-CG2 3.76Å; F436-V440 HydrophobicContact CE2-CG2 4.18Å; F436-V440 HydrophobicContact CG-CG2 4.47Å; F436-V440 HydrophobicContact CZ-CG2 3.81Å; F436-V440 WeakPolarHBondContact O-CG2 3.49Å; F436-V440 PolarHBondContact O-N 3.46Å; D437-V440 PolarHBondContact O-N 3.01Å; V440-S442 PolarHBondContact O-N 3.21Å; V440-D443 PolarHBondContact O-N 2.97Å; V440-I444 HydrophobicContact CG1-CD1 3.94Å; V440-I444 WeakPolarHBondContact O-CG1 3.07Å; V440-I444 PolarHBondContact O-N 3.39Å; V440-V514 HydrophobicContact CG1-CG1 4.32Å; V440-V514 HydrophobicContact CG1-CG2 3.89Å |
| 441 | L | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 176.6 | -179.9 | 61.4 | 0 | 0 | 0 | 111.3 | D437 D443 I444 I445 F462 V463 L466 L511 V514 M515 I518 | D437-L441 WeakPolarHBondContact O-CB 3.35Å; D437-L441 PolarHBondContact O-N 3.39Å; L441-D443 VanDerWaalsContact C-N 3.35Å; L441-D443 PolarHBondContact O-N 3.01Å; L441-I444 PolarHBondContact O-N 3.43Å; L441-I445 HydrophobicContact CD1-CD1 3.84Å; L441-I445 HydrophobicContact CD1-CG1 4.15Å; L441-I445 HydrophobicContact CD2-CD1 4.34Å; L441-I445 HydrophobicContact CG-CD1 3.65Å; L441-I445 HydrophobicContact CG-CG1 4.4Å; L441-I445 WeakPolarHBondContact O-CD1 3.44Å; L441-I445 WeakPolarHBondContact O-CG1 3.22Å; L441-I445 PolarHBondContact O-N 3.37Å; L441-F462 HydrophobicContact CD2-CB 3.77Å; L441-V463 HydrophobicContact CD2-CG2 4.03Å; L441-V463 HydrophobicContact CG-CG2 4.05Å; L441-L466 HydrophobicContact CD2-CD1 4.31Å; L441-L511 HydrophobicContact CD1-CD1 3.82Å; L441-V514 HydrophobicContact CB-CG1 4.32Å; L441-M515 HydrophobicContact CD1-CG 4.21Å; L441-M515 HydrophobicContact CD1-SD 3.64Å; L441-M515 HydrophobicContact CD2-SD 3.74Å; L441-M515 HydrophobicContact CG-SD 4.35Å; L441-I518 HydrophobicContact CB-CD1 4.11Å; L441-I518 HydrophobicContact CD2-CD1 3.82Å; L441-I518 HydrophobicContact CG-CD1 4.37Å |
| 442 | S | 93.3 | Very high | 90.3 | Very high | 31 Ų | 31 | 59.8 Ų | 59.8 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 177.3 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | A438 L439 V440 I445 Q446 | A438-S442 VanDerWaalsContact O-CB 3.29Å; A438-S442 WeakPolarHBondContact O-CB 3.42Å; A438-S442 PolarHBondContact O-N 3.34Å; L439-S442 PolarHBondContact O-N 2.88Å; V440-S442 PolarHBondContact O-N 3.21Å; S442-I445 PolarHBondContact O-N 3.4Å; S442-Q446 VanDerWaalsContact O-CG 3.27Å; S442-Q446 WeakPolarHBondContact O-CG 3.35Å; S442-Q446 PolarHBondContact O-N 3.33Å; S442-Q446 PolarHBondContact OG-NE2 2.7Å |
| 443 | D | 93.8 | Very high | 89.9 | Confident | 91 Ų | 91 | 65.7 Ų | 65.7 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 177.7 | -175.7 | 58.3 | 0 | 0 | 0 | 111.4 | L439 V440 L441 I445 Q446 N447 | L439-D443 PolarHBondContact O-N 3.36Å; V440-D443 PolarHBondContact O-N 2.97Å; L441-D443 VanDerWaalsContact C-N 3.35Å; L441-D443 PolarHBondContact O-N 3.01Å; D443-I445 PolarHBondContact O-N 3.26Å; D443-Q446 PolarHBondContact O-N 3.47Å; D443-N447 PolarHBondContact O-N 3.17Å; D443-N447 PolarHBondContact O-ND2 2.86Å; D443-N447 PolarHBondContact OD1-ND2 3.25Å |
| 444 | I | 91.5 | Very high | 89.4 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 17% | 0.169 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 176.6 | -67.9 | 170.2 | 0 | 0 | 0 | 111.1 | V440 L441 Q446 N447 L448 D510 L511 V514 | V440-I444 HydrophobicContact CG1-CD1 3.94Å; V440-I444 WeakPolarHBondContact O-CG1 3.07Å; V440-I444 PolarHBondContact O-N 3.39Å; L441-I444 PolarHBondContact O-N 3.43Å; I444-Q446 PolarHBondContact O-N 2.78Å; I444-N447 PolarHBondContact O-N 3.26Å; I444-L448 PolarHBondContact O-N 3.22Å; I444-D510 HydrophobicContact CD1-CB 4.38Å; I444-L511 HydrophobicContact CG2-CB 4.01Å; I444-L511 HydrophobicContact CG2-CD1 4.26Å; I444-V514 HydrophobicContact CD1-CB 4.13Å; I444-V514 HydrophobicContact CD1-CG2 3.59Å |
| 445 | I | 90.6 | Very high | 89.2 | Confident | 30 Ų | 30 | 70.3 Ų | 70.3 | 15% | 0.154 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 179.5 | -67.9 | 161 | 0 | 0 | 0 | 111.1 | L441 S442 D443 N447 L448 M459 V463 | L441-I445 HydrophobicContact CD1-CD1 3.84Å; L441-I445 HydrophobicContact CD1-CG1 4.15Å; L441-I445 HydrophobicContact CD2-CD1 4.34Å; L441-I445 HydrophobicContact CG-CD1 3.65Å; L441-I445 HydrophobicContact CG-CG1 4.4Å; L441-I445 WeakPolarHBondContact O-CD1 3.44Å; L441-I445 WeakPolarHBondContact O-CG1 3.22Å; L441-I445 PolarHBondContact O-N 3.37Å; S442-I445 PolarHBondContact O-N 3.4Å; D443-I445 PolarHBondContact O-N 3.26Å; I445-N447 PolarHBondContact O-N 2.93Å; I445-L448 WeakPolarHBondContact O-CB 3.28Å; I445-L448 PolarHBondContact O-N 3.44Å; I445-M459 HydrophobicContact CD1-CB 3.78Å; I445-M459 HydrophobicContact CD1-CG 4.42Å; I445-M459 HydrophobicContact CG1-CB 4.17Å; I445-M459 HydrophobicContact CG1-CG 4.42Å; I445-M459 HydrophobicContact CG1-SD 4.1Å; I445-M459 HydrophobicContact CG2-CB 4.41Å; I445-M459 HydrophobicContact CG2-SD 4.33Å; I445-V463 HydrophobicContact CD1-CG2 3.7Å |
| 446 | Q | 88.6 | Confident | 89.2 | Confident | 147 Ų | 147 | 64.3 Ų | 64.3 | 69% | 0.687 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65 | -26.3 | 179.6 | -74.8 | 176.2 | 14 | 0 | 0 | 113 | S442 D443 I444 | S442-Q446 VanDerWaalsContact O-CG 3.27Å; S442-Q446 WeakPolarHBondContact O-CG 3.35Å; S442-Q446 PolarHBondContact O-N 3.33Å; S442-Q446 PolarHBondContact OG-NE2 2.7Å; D443-Q446 PolarHBondContact O-N 3.47Å; I444-Q446 PolarHBondContact O-N 2.78Å |
| 447 | N | 88.5 | Confident | 89.1 | Confident | 117 Ų | 117 | 63.6 Ų | 63.6 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -1 | 179.3 | -68.9 | -41 | 0 | 0 | 0 | 113.7 | D443 I444 I445 S449 | D443-N447 PolarHBondContact O-N 3.17Å; D443-N447 PolarHBondContact O-ND2 2.86Å; D443-N447 PolarHBondContact OD1-ND2 3.25Å; I444-N447 PolarHBondContact O-N 3.26Å; I445-N447 PolarHBondContact O-N 2.93Å; N447-S449 PolarHBondContact O-N 3.48Å |
| 448 | L | 87.5 | Confident | 89 | Confident | 24 Ų | 24 | 64.4 Ų | 64.4 | 13% | 0.126 | 36% | 0.357 | C | S | . | . | trans | -71.6 | 125.3 | 176 | -65.8 | 175.6 | 0 | 0 | 0 | 111.2 | I444 I445 V450 M459 L503 N508 | I444-L448 PolarHBondContact O-N 3.22Å; I445-L448 WeakPolarHBondContact O-CB 3.28Å; I445-L448 PolarHBondContact O-N 3.44Å; L448-V450 PolarHBondContact O-N 3.25Å; L448-M459 HydrophobicContact CD1-CE 3.98Å; L448-M459 HydrophobicContact CD1-SD 3.81Å; L448-L503 HydrophobicContact CD2-CD1 4.46Å; L448-N508 HydrophobicContact CD2-CB 4.4Å; L448-N508 WeakPolarHBondContact CD2-OD1 3.25Å | ||
| 449 | S | 79.5 | Confident | 88.9 | Confident | 121 Ų | 121 | 64.4 Ų | 64.4 | 85% | 0.846 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -72.1 | -28.4 | -177.7 | 55.3 | 0 | 0 | 0 | 0 | 114.2 | N447 | N447-S449 PolarHBondContact O-N 3.48Š|
| 450 | V | 80.8 | Confident | 88.8 | Confident | 84 Ų | 84 | 61.9 Ų | 61.9 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | trans | -144.7 | 119.7 | -179.3 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | L448 | L448-V450 PolarHBondContact O-N 3.25Š| ||
| 451 | C | 81.3 | Confident | 88.8 | Confident | 46 Ų | 46 | 62.3 Ų | 62.3 | 31% | 0.311 | 35% | 0.354 | S | S | . | . | trans | -137.7 | 119.4 | 173.9 | -168.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 452 | P | 85.8 | Confident | 88.9 | Confident | 30 Ų | 30 | 62.4 Ų | 62.4 | 20% | 0.195 | 35% | 0.354 | C | S | . | . | trans | -71.9 | 165.4 | 175 | -3.9 | 18.4 | 0 | 0 | 0 | 112.2 | E454 E455 S456 P502 | P452-E454 PolarHBondContact O-N 3.05Å; P452-E455 WeakPolarHBondContact CB-OE2 3.41Å; P452-E455 VanDerWaalsContact CG-OE2 3.23Å; P452-E455 WeakPolarHBondContact CG-OE2 3.21Å; P452-E455 PolarHBondContact O-N 2.88Å; P452-S456 VanDerWaalsContact O-CB 3.25Å; P452-S456 WeakPolarHBondContact O-CB 3.49Å; P452-S456 PolarHBondContact O-N 3.49Å; P452-P502 HydrophobicContact CB-CG 4.28Å; P452-P502 HydrophobicContact CG-CB 3.73Å; P452-P502 HydrophobicContact CG-CG 3.17Å | ||
| 453 | E | 85.3 | Confident | 88.9 | Confident | 166 Ų | 166 | 62.2 Ų | 62.2 | 78% | 0.776 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.2 | -46.1 | -171.4 | -171.1 | 175.1 | -176.9 | 0 | 0 | 113 | S456 V457 | E453-S456 PolarHBondContact O-N 3.04Å; E453-V457 VanDerWaalsContact O-CG2 3.27Å; E453-V457 WeakPolarHBondContact O-CG2 3.42Å; E453-V457 PolarHBondContact O-N 2.8Å |
| 454 | E | 83.9 | Confident | 88.9 | Confident | 117 Ų | 117 | 61.7 Ų | 61.7 | 55% | 0.547 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.8 | -47.9 | -178.8 | -68 | -73.5 | 176.6 | 0 | 0 | 112 | Y7 P452 V457 I458 | Y7-E454 HydrophobicContact CE1-CB 4.37Å; P452-E454 PolarHBondContact O-N 3.05Å; E454-V457 PolarHBondContact O-N 3.12Å; E454-I458 WeakPolarHBondContact O-CG1 3.33Å; E454-I458 PolarHBondContact O-N 3Å |
| 455 | E | 89.3 | Confident | 89 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.8 | -41 | 175.6 | -66.9 | 86 | 164 | 0 | 0 | 111.6 | Y7 P452 V457 I458 M459 L492 | Y7-E455 WeakPolarHBondContact CE1-OE1 3.49Å; Y7-E455 PolarHBondContact OH-OE1 2.91Å; Y7-E455 PolarHBondContact OH-OE2 2.95Å; P452-E455 WeakPolarHBondContact CB-OE2 3.41Å; P452-E455 VanDerWaalsContact CG-OE2 3.23Å; P452-E455 WeakPolarHBondContact CG-OE2 3.21Å; P452-E455 PolarHBondContact O-N 2.88Å; E455-V457 VanDerWaalsContact C-N 3.33Å; E455-V457 PolarHBondContact O-N 3.21Å; E455-I458 PolarHBondContact O-N 3.13Å; E455-M459 WeakPolarHBondContact O-CB 3.4Å; E455-M459 VanDerWaalsContact O-CG 3.27Å; E455-M459 WeakPolarHBondContact O-CG 3.2Å; E455-M459 PolarHBondContact O-N 3.15Å; E455-L492 HydrophobicContact CB-CD1 3.73Å; E455-L492 HydrophobicContact CG-CD1 3.44Å; E455-L492 VanDerWaalsContact CG-CD1 3.44Å |
| 456 | S | 89.8 | Confident | 89.1 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 32% | 0.315 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | P452 E453 S460 | P452-S456 VanDerWaalsContact O-CB 3.25Å; P452-S456 WeakPolarHBondContact O-CB 3.49Å; P452-S456 PolarHBondContact O-N 3.49Å; E453-S456 PolarHBondContact O-N 3.04Å; S456-S460 VanDerWaalsContact O-CB 3.26Å; S456-S460 WeakPolarHBondContact O-CB 3.06Å; S456-S460 PolarHBondContact O-N 3.49Å; S456-S460 PolarHBondContact O-OG 3.04Å |
| 457 | V | 92 | Very high | 89.3 | Confident | 90 Ų | 90 | 57.1 Ų | 57.1 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 175.9 | 168.9 | 0 | 0 | 0 | 0 | 110.5 | E453 E454 E455 S460 S461 | E453-V457 VanDerWaalsContact O-CG2 3.27Å; E453-V457 WeakPolarHBondContact O-CG2 3.42Å; E453-V457 PolarHBondContact O-N 2.8Å; E454-V457 PolarHBondContact O-N 3.12Å; E455-V457 VanDerWaalsContact C-N 3.33Å; E455-V457 PolarHBondContact O-N 3.21Å; V457-S460 PolarHBondContact O-N 3.02Å; V457-S461 WeakPolarHBondContact O-CB 3.13Å; V457-S461 PolarHBondContact O-N 3.45Å |
| 458 | I | 91.9 | Very high | 89.4 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 9% | 0.092 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.7 | -49.6 | 177.1 | -68.7 | 170.5 | 0 | 0 | 0 | 110.8 | E454 E455 S460 S461 F462 D488 L492 Y495 | E454-I458 WeakPolarHBondContact O-CG1 3.33Å; E454-I458 PolarHBondContact O-N 3Å; E455-I458 PolarHBondContact O-N 3.13Å; I458-S460 PolarHBondContact O-N 3.46Å; I458-S461 VanDerWaalsContact O-CB 3.31Å; I458-S461 WeakPolarHBondContact O-CB 3.4Å; I458-S461 PolarHBondContact O-N 3.15Å; I458-F462 HydrophobicContact CG2-CD2 4.47Å; I458-F462 HydrophobicContact CG2-CE1 3.8Å; I458-F462 HydrophobicContact CG2-CE2 3.63Å; I458-F462 HydrophobicContact CG2-CZ 3.23Å; I458-F462 WeakPolarHBondContact O-CG 3.48Å; I458-F462 PolarHBondContact O-N 2.97Å; I458-F462 VanDerWaalsContact O-N 3.08Å; I458-D488 HydrophobicContact CG2-CB 3.98Å; I458-L492 HydrophobicContact CG2-CD2 4.41Å; I458-Y495 HydrophobicContact CD1-CE2 4.13Å |
| 459 | M | 91.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 179.7 | -73.6 | -179.7 | -177.4 | 0 | 0 | 112.5 | I445 L448 E455 S461 F462 V463 L492 L503 L511 | I445-M459 HydrophobicContact CD1-CB 3.78Å; I445-M459 HydrophobicContact CD1-CG 4.42Å; I445-M459 HydrophobicContact CG1-CB 4.17Å; I445-M459 HydrophobicContact CG1-CG 4.42Å; I445-M459 HydrophobicContact CG1-SD 4.1Å; I445-M459 HydrophobicContact CG2-CB 4.41Å; I445-M459 HydrophobicContact CG2-SD 4.33Å; L448-M459 HydrophobicContact CD1-CE 3.98Å; L448-M459 HydrophobicContact CD1-SD 3.81Å; E455-M459 WeakPolarHBondContact O-CB 3.4Å; E455-M459 VanDerWaalsContact O-CG 3.27Å; E455-M459 WeakPolarHBondContact O-CG 3.2Å; E455-M459 PolarHBondContact O-N 3.15Å; M459-S461 VanDerWaalsContact C-N 3.33Å; M459-F462 WeakPolarHBondContact O-CB 3.42Å; M459-F462 PolarHBondContact O-N 3.35Å; M459-V463 PolarHBondContact O-N 3.44Å; M459-L492 HydrophobicContact CE-CD1 4.23Å; M459-L492 HydrophobicContact CE-CD2 3.77Å; M459-L492 HydrophobicContact CE-CG 4.48Å; M459-L492 HydrophobicContact CG-CD2 3.94Å; M459-L503 HydrophobicContact CE-CD2 3.65Å; M459-L511 HydrophobicContact CE-CD2 3.6Å |
| 460 | S | 91.4 | Very high | 90.1 | Very high | 64 Ų | 64 | 52.6 Ų | 52.6 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 176.5 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | S456 V457 I458 F462 V463 S464 | S456-S460 VanDerWaalsContact O-CB 3.26Å; S456-S460 WeakPolarHBondContact O-CB 3.06Å; S456-S460 PolarHBondContact O-N 3.49Å; S456-S460 PolarHBondContact O-OG 3.04Å; V457-S460 PolarHBondContact O-N 3.02Å; I458-S460 PolarHBondContact O-N 3.46Å; S460-F462 VanDerWaalsContact C-N 3.32Å; S460-F462 PolarHBondContact O-N 3.37Å; S460-V463 PolarHBondContact O-N 2.98Å; S460-S464 WeakPolarHBondContact O-CB 3.41Å; S460-S464 PolarHBondContact O-N 2.77Å |
| 461 | S | 94.6 | Very high | 90.4 | Very high | 53 Ų | 53 | 51 Ų | 51 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 174.1 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | V457 I458 M459 S464 T465 | V457-S461 WeakPolarHBondContact O-CB 3.13Å; V457-S461 PolarHBondContact O-N 3.45Å; I458-S461 VanDerWaalsContact O-CB 3.31Å; I458-S461 WeakPolarHBondContact O-CB 3.4Å; I458-S461 PolarHBondContact O-N 3.15Å; M459-S461 VanDerWaalsContact C-N 3.33Å; S461-S464 PolarHBondContact O-N 3.47Å; S461-T465 VanDerWaalsContact O-CB 3.29Å; S461-T465 WeakPolarHBondContact O-CB 3.41Å; S461-T465 PolarHBondContact O-N 2.92Å; S461-T465 PolarHBondContact O-OG1 3.48Å |
| 462 | F | 95.2 | Very high | 90.6 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.1 | -53.7 | 174.4 | -59.1 | -28 | 0 | 0 | 0 | 111.5 | L441 I458 M459 S460 S464 T465 L466 L485 D488 W489 L492 M515 | L441-F462 HydrophobicContact CD2-CB 3.77Å; I458-F462 HydrophobicContact CG2-CD2 4.47Å; I458-F462 HydrophobicContact CG2-CE1 3.8Å; I458-F462 HydrophobicContact CG2-CE2 3.63Å; I458-F462 HydrophobicContact CG2-CZ 3.23Å; I458-F462 WeakPolarHBondContact O-CG 3.48Å; I458-F462 PolarHBondContact O-N 2.97Å; I458-F462 VanDerWaalsContact O-N 3.08Å; M459-F462 WeakPolarHBondContact O-CB 3.42Å; M459-F462 PolarHBondContact O-N 3.35Å; S460-F462 VanDerWaalsContact C-N 3.32Å; S460-F462 PolarHBondContact O-N 3.37Å; F462-S464 VanDerWaalsContact C-N 3.32Å; F462-S464 PolarHBondContact O-N 3.08Å; F462-T465 PolarHBondContact O-N 3.08Å; F462-L466 VanDerWaalsContact O-CG 3.26Å; F462-L466 WeakPolarHBondContact O-CG 3.45Å; F462-L466 PolarHBondContact O-N 2.97Å; F462-L485 HydrophobicContact CD1-CD1 4.1Å; F462-L485 HydrophobicContact CD1-CG 3.76Å; F462-L485 HydrophobicContact CE1-CG 3.98Å; F462-D488 HydrophobicContact CE1-CB 3.71Å; F462-D488 HydrophobicContact CZ-CB 3.94Å; F462-W489 HydrophobicContact CZ-CB 4.2Å; F462-L492 HydrophobicContact CE2-CD2 4.08Å; F462-M515 HydrophobicContact CD2-CE 3.53Å; F462-M515 HydrophobicContact CD2-SD 3.87Å; F462-M515 HydrophobicContact CE2-CE 3.49Å; F462-M515 VanDerWaalsContact CE2-CE 3.49Å; F462-M515 HydrophobicContact CE2-SD 4.23Å; F462-M515 HydrophobicContact CG-CE 4.13Å; F462-M515 HydrophobicContact CZ-CE 4.05Å |
| 463 | V | 93.6 | Very high | 90.7 | Very high | 27 Ų | 27 | 56.1 Ų | 56.1 | 16% | 0.164 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.7 | -42.9 | -178.7 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | L441 I445 M459 S460 S467 | L441-V463 HydrophobicContact CD2-CG2 4.03Å; L441-V463 HydrophobicContact CG-CG2 4.05Å; I445-V463 HydrophobicContact CD1-CG2 3.7Å; M459-V463 PolarHBondContact O-N 3.44Å; S460-V463 PolarHBondContact O-N 2.98Å; V463-S467 WeakPolarHBondContact O-CB 3.38Å; V463-S467 PolarHBondContact O-N 2.88Å; V463-S467 PolarHBondContact O-OG 3.45Å |
| 464 | S | 93.4 | Very high | 90.5 | Very high | 80 Ų | 80 | 48.6 Ų | 48.6 | 56% | 0.559 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.2 | -48.4 | 176.5 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | S460 S461 F462 S467 S468 | S460-S464 WeakPolarHBondContact O-CB 3.41Å; S460-S464 PolarHBondContact O-N 2.77Å; S461-S464 PolarHBondContact O-N 3.47Å; F462-S464 VanDerWaalsContact C-N 3.32Å; F462-S464 PolarHBondContact O-N 3.08Å; S464-S467 PolarHBondContact O-N 3.08Å; S464-S468 WeakPolarHBondContact O-CB 3.31Å; S464-S468 PolarHBondContact O-N 3.13Å; S464-S468 VanDerWaalsContact O-N 3.1Å |
| 465 | T | 93.6 | Very high | 90.6 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 29% | 0.288 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.1 | -49.6 | 179.7 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | S461 F462 S468 F482 L485 | S461-T465 VanDerWaalsContact O-CB 3.29Å; S461-T465 WeakPolarHBondContact O-CB 3.41Å; S461-T465 PolarHBondContact O-N 2.92Å; S461-T465 PolarHBondContact O-OG1 3.48Å; F462-T465 PolarHBondContact O-N 3.08Å; T465-S468 PolarHBondContact O-N 3.22Å; T465-S468 PolarHBondContact O-OG 3.16Å; T465-F482 HydrophobicContact CG2-CD1 4.45Å; T465-F482 HydrophobicContact CG2-CE1 4.08Å; T465-L485 HydrophobicContact CG2-CD1 4.3Å |
| 466 | L | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.2 | -40.5 | -179 | -61.9 | 179.8 | 0 | 0 | 0 | 112.4 | L433 A434 A438 L441 F462 S468 L469 L485 I518 | L433-L466 HydrophobicContact CB-CD2 4.2Å; L433-L466 HydrophobicContact CD1-CD2 4.49Å; L433-L466 HydrophobicContact CD2-CD1 4.48Å; L433-L466 HydrophobicContact CD2-CD2 3.74Å; L433-L466 HydrophobicContact CG-CD2 4.35Å; A434-L466 WeakPolarHBondContact CA-O 3.37Å; A438-L466 HydrophobicContact CB-CB 3.84Å; L441-L466 HydrophobicContact CD2-CD1 4.31Å; F462-L466 VanDerWaalsContact O-CG 3.26Å; F462-L466 WeakPolarHBondContact O-CG 3.45Å; F462-L466 PolarHBondContact O-N 2.97Å; L466-S468 VanDerWaalsContact C-N 3.25Å; L466-S468 PolarHBondContact O-N 2.66Å; L466-L469 HydrophobicContact CD2-CD1 4.34Å; L466-L469 WeakPolarHBondContact O-CB 3.36Å; L466-L469 WeakPolarHBondContact O-CG 3.44Å; L466-L469 PolarHBondContact O-N 3.24Å; L466-L485 HydrophobicContact CD2-CD1 4.19Å; L466-I518 HydrophobicContact CD1-CD1 3.94Å; L466-I518 HydrophobicContact CD1-CG1 4.35Å; L466-I518 HydrophobicContact CD1-CG2 3.97Å; L466-I518 HydrophobicContact CD2-CG2 4.4Å |
| 467 | S | 92.1 | Very high | 90.2 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.9 | -22 | 180 | -56.1 | 0 | 0 | 0 | 0 | 113.3 | V463 S464 L469 | V463-S467 WeakPolarHBondContact O-CB 3.38Å; V463-S467 PolarHBondContact O-N 2.88Å; V463-S467 PolarHBondContact O-OG 3.45Å; S464-S467 PolarHBondContact O-N 3.08Å; S467-L469 VanDerWaalsContact C-N 3.26Å; S467-L469 PolarHBondContact O-N 3.32Å |
| 468 | S | 91.4 | Very high | 90 | Very high | 78 Ų | 78 | 54.3 Ų | 54.3 | 55% | 0.545 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -14.6 | 177.7 | 76.3 | 0 | 0 | 0 | 0 | 113.7 | S464 T465 L466 | S464-S468 WeakPolarHBondContact O-CB 3.31Å; S464-S468 PolarHBondContact O-N 3.13Å; S464-S468 VanDerWaalsContact O-N 3.1Å; T465-S468 PolarHBondContact O-N 3.22Å; T465-S468 PolarHBondContact O-OG 3.16Å; L466-S468 VanDerWaalsContact C-N 3.25Å; L466-S468 PolarHBondContact O-N 2.66Å |
| 469 | L | 92.1 | Very high | 89.8 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | trans | -69.8 | 136.5 | -176.1 | -62.3 | 175.2 | 0 | 0 | 0 | 111.6 | L430 L433 A434 L466 S467 F480 F482 L525 | L430-L469 HydrophobicContact CD2-CB 4.34Å; L430-L469 HydrophobicContact CG-CB 4.18Å; L433-L469 HydrophobicContact CB-CD1 3.95Å; L433-L469 HydrophobicContact CD1-CD1 4.27Å; A434-L469 HydrophobicContact CB-CB 4.01Å; L466-L469 HydrophobicContact CD2-CD1 4.34Å; L466-L469 WeakPolarHBondContact O-CB 3.36Å; L466-L469 WeakPolarHBondContact O-CG 3.44Å; L466-L469 PolarHBondContact O-N 3.24Å; S467-L469 VanDerWaalsContact C-N 3.26Å; S467-L469 PolarHBondContact O-N 3.32Å; L469-F480 HydrophobicContact CD2-CD1 4.45Å; L469-F480 HydrophobicContact CD2-CE1 4.33Å; L469-F482 HydrophobicContact CD1-CE1 4.39Å; L469-F482 HydrophobicContact CD1-CZ 3.98Å; L469-F482 HydrophobicContact CD2-CE1 4.41Å; L469-F482 HydrophobicContact CD2-CZ 3.84Å; L469-L525 HydrophobicContact CD1-CD1 4.43Å | ||
| 470 | N | 89 | Confident | 89.7 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | trans | -141.8 | 153.3 | 178.1 | 72.5 | 78.6 | 0 | 0 | 0 | 112.3 | L430 K472 Q473 | L430-N470 WeakPolarHBondContact CD1-O 3.38Å; N470-K472 PolarHBondContact O-N 3Å; N470-K472 VanDerWaalsContact OD1-CB 3.31Å; N470-K472 WeakPolarHBondContact OD1-CB 3.42Å; N470-K472 PolarHBondContact OD1-N 3.33Å; N470-K472 VanDerWaalsContact OD1-N 3.15Å; N470-Q473 WeakPolarHBondContact O-CB 3.3Å; N470-Q473 WeakPolarHBondContact O-CG 3.4Å; N470-Q473 PolarHBondContact O-N 3.29Å; N470-Q473 PolarHBondContact O-OE1 3.04Å; N470-Q473 PolarHBondContact OD1-N 2.88Å | ||
| 471 | L | 86.9 | Confident | 89.7 | Confident | 51 Ų | 51 | 69 Ų | 69 | 27% | 0.267 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.4 | -29.1 | -174.2 | -80.9 | 162.9 | 0 | 0 | 0 | 114.1 | L430 Q431 Q473 V474 D475 | L430-L471 HydrophobicContact CD2-CD2 4.34Å; L430-L471 HydrophobicContact CD2-CG 4.3Å; Q431-L471 HydrophobicContact CG-CD1 4.08Å; Q431-L471 HydrophobicContact CG-CD2 3.74Å; Q431-L471 HydrophobicContact CG-CG 4.08Å; L471-Q473 PolarHBondContact O-N 2.82Å; L471-Q473 VanDerWaalsContact O-N 3.14Å; L471-V474 PolarHBondContact O-N 3.33Å; L471-V474 VanDerWaalsContact O-N 3.15Å; L471-D475 PolarHBondContact O-N 3.4Å |
| 472 | K | 86.5 | Confident | 89.8 | Confident | 151 Ų | 151 | 66.9 Ų | 66.9 | 66% | 0.657 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.9 | -25.7 | -179.5 | -60 | -177.2 | 175 | -179.2 | 0 | 111.7 | N470 V474 D475 N476 | N470-K472 PolarHBondContact O-N 3Å; N470-K472 VanDerWaalsContact OD1-CB 3.31Å; N470-K472 WeakPolarHBondContact OD1-CB 3.42Å; N470-K472 PolarHBondContact OD1-N 3.33Å; N470-K472 VanDerWaalsContact OD1-N 3.15Å; K472-V474 VanDerWaalsContact C-N 3.35Å; K472-V474 PolarHBondContact O-N 3.07Å; K472-D475 PolarHBondContact O-N 3.4Å; K472-N476 VanDerWaalsContact O-CB 3.23Å; K472-N476 WeakPolarHBondContact O-CB 3.42Å; K472-N476 PolarHBondContact O-N 3.15Å; K472-N476 PolarHBondContact O-ND2 3.18Å |
| 473 | Q | 86.3 | Confident | 89.7 | Confident | 32 Ų | 32 | 69.4 Ų | 69.4 | 15% | 0.15 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 179.2 | -56.7 | -176.2 | -81.8 | 0 | 0 | 112 | N470 L471 G477 E478 F480 | N470-Q473 WeakPolarHBondContact O-CB 3.3Å; N470-Q473 WeakPolarHBondContact O-CG 3.4Å; N470-Q473 PolarHBondContact O-N 3.29Å; N470-Q473 PolarHBondContact O-OE1 3.04Å; N470-Q473 PolarHBondContact OD1-N 2.88Å; L471-Q473 PolarHBondContact O-N 2.82Å; L471-Q473 VanDerWaalsContact O-N 3.14Å; Q473-G477 PolarHBondContact O-N 2.92Å; Q473-E478 HydrophobicContact CB-CB 4.23Å; Q473-E478 HydrophobicContact CB-CG 4.35Å; Q473-E478 WeakPolarHBondContact CB-OE2 3.49Å; Q473-E478 WeakPolarHBondContact CG-OE2 3.18Å; Q473-E478 PolarHBondContact NE2-OE2 3.06Å; Q473-E478 WeakPolarHBondContact O-CB 3.45Å; Q473-E478 PolarHBondContact O-N 3.35Å; Q473-F480 HydrophobicContact CB-CE1 3.95Å; Q473-F480 HydrophobicContact CB-CZ 3.76Å |
| 474 | V | 82.6 | Confident | 89.8 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 5% | 0.048 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -72.7 | -42 | 177 | -180 | 0 | 0 | 0 | 0 | 110.7 | Q426 Q427 L430 L471 K472 N476 G477 F480 | Q426-V474 HydrophobicContact CB-CG1 4.19Å; Q426-V474 HydrophobicContact CB-CG2 4.36Å; Q427-V474 HydrophobicContact CG-CB 4.19Å; Q427-V474 HydrophobicContact CG-CG1 3.61Å; L430-V474 HydrophobicContact CB-CG2 4.46Å; L430-V474 HydrophobicContact CD1-CG2 3.55Å; L471-V474 PolarHBondContact O-N 3.33Å; L471-V474 VanDerWaalsContact O-N 3.15Å; K472-V474 VanDerWaalsContact C-N 3.35Å; K472-V474 PolarHBondContact O-N 3.07Å; V474-N476 VanDerWaalsContact C-N 3.26Å; V474-N476 PolarHBondContact O-N 3.42Å; V474-G477 PolarHBondContact O-N 3.42Å; V474-F480 HydrophobicContact CG2-CE2 3.81Å; V474-F480 HydrophobicContact CG2-CZ 3.66Å |
| 475 | D | 84.7 | Confident | 89.9 | Confident | 109 Ų | 109 | 66.5 Ų | 66.5 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.7 | -34.4 | 178.7 | -63.7 | -22 | 0 | 0 | 0 | 111.7 | Q427 L471 K472 G477 | Q427-D475 PolarHBondContact NE2-OD1 3.03Å; Q427-D475 VanDerWaalsContact NE2-OD1 3.14Å; L471-D475 PolarHBondContact O-N 3.4Å; K472-D475 PolarHBondContact O-N 3.4Å; D475-G477 VanDerWaalsContact C-N 3.29Å; D475-G477 PolarHBondContact O-N 2.94Å |
| 476 | N | 86.5 | Confident | 90 | Very high | 119 Ų | 119 | 66.1 Ų | 66.1 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -8.2 | 174.6 | -67.9 | -15.6 | 0 | 0 | 0 | 113.8 | K472 V474 E478 | K472-N476 VanDerWaalsContact O-CB 3.23Å; K472-N476 WeakPolarHBondContact O-CB 3.42Å; K472-N476 PolarHBondContact O-N 3.15Å; K472-N476 PolarHBondContact O-ND2 3.18Å; V474-N476 VanDerWaalsContact C-N 3.26Å; V474-N476 PolarHBondContact O-N 3.42Å; N476-E478 HydrophobicContact CB-CG 4.24Å |
| 477 | G | 84.6 | Confident | 90.1 | Very high | 57 Ų | 57 | 68.6 Ų | 68.6 | 59% | 0.588 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 31.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q473 V474 D475 | Q473-G477 PolarHBondContact O-N 2.92Å; V474-G477 PolarHBondContact O-N 3.42Å; D475-G477 VanDerWaalsContact C-N 3.29Å; D475-G477 PolarHBondContact O-N 2.94Å |
| 478 | E | 88.4 | Confident | 90.3 | Very high | 87 Ų | 87 | 67.1 Ų | 67.1 | 41% | 0.407 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 141.4 | 175.4 | -69.6 | 176.9 | -156 | 0 | 0 | 110.8 | Q473 N476 F480 | Q473-E478 HydrophobicContact CB-CB 4.23Å; Q473-E478 HydrophobicContact CB-CG 4.35Å; Q473-E478 WeakPolarHBondContact CB-OE2 3.49Å; Q473-E478 WeakPolarHBondContact CG-OE2 3.18Å; Q473-E478 PolarHBondContact NE2-OE2 3.06Å; Q473-E478 WeakPolarHBondContact O-CB 3.45Å; Q473-E478 PolarHBondContact O-N 3.35Å; N476-E478 HydrophobicContact CB-CG 4.24Å; E478-F480 PolarHBondContact O-N 3.16Å |
| 479 | K | 86.9 | Confident | 90.5 | Very high | 207 Ų | 207 | 63.4 Ų | 63.4 | 90% | 0.9 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 116.4 | 174.2 | -68.4 | -172.8 | 179.3 | -176.7 | 0 | 109 | ||
| 480 | F | 90.6 | Very high | 90.8 | Very high | 29 Ų | 29 | 63.1 Ų | 63.1 | 13% | 0.127 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 144.3 | 172.6 | -60.2 | -80.1 | 0 | 0 | 0 | 110.8 | L430 L469 Q473 V474 E478 F482 L525 D526 | L430-F480 HydrophobicContact CD1-CE1 3.95Å; L430-F480 HydrophobicContact CD1-CZ 3.77Å; L469-F480 HydrophobicContact CD2-CD1 4.45Å; L469-F480 HydrophobicContact CD2-CE1 4.33Å; Q473-F480 HydrophobicContact CB-CE1 3.95Å; Q473-F480 HydrophobicContact CB-CZ 3.76Å; V474-F480 HydrophobicContact CG2-CE2 3.81Å; V474-F480 HydrophobicContact CG2-CZ 3.66Å; E478-F480 PolarHBondContact O-N 3.16Å; F480-F482 HydrophobicContact CB-CD2 4.13Å; F480-F482 HydrophobicContact CB-CE2 3.7Å; F480-F482 HydrophobicContact CD1-CE2 4.07Å; F480-F482 HydrophobicContact CD1-CZ 4.34Å; F480-F482 HydrophobicContact CG-CE2 4.16Å; F480-L525 HydrophobicContact CB-CB 4.3Å; F480-L525 HydrophobicContact CD2-CB 4.36Å; F480-L525 HydrophobicContact CG-CB 4.27Å; F480-D526 HydrophobicContact CB-CB 4.06Å; F480-D526 VanDerWaalsContact O-CB 3.25Å; F480-D526 WeakPolarHBondContact O-CB 3.19Å |
| 481 | E | 91.6 | Very high | 91.1 | Very high | 157 Ų | 157 | 62.5 Ų | 62.5 | 73% | 0.734 | 32% | 0.324 | S | S | * | . | trans | -137.6 | 109.2 | 172.6 | -175 | 173.1 | -169.1 | 0 | 0 | 110.1 | S483 | E481-S483 WeakPolarHBondContact CG-OG 3.44Å; E481-S483 PolarHBondContact OE1-OG 3.16Å | ||
| 482 | F | 95.1 | Very high | 91.4 | Very high | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | trans | -116 | 16.6 | 178.7 | -64.5 | -77.8 | 0 | 0 | 0 | 112.2 | T465 L469 F480 G484 L485 R486 L525 D526 | T465-F482 HydrophobicContact CG2-CD1 4.45Å; T465-F482 HydrophobicContact CG2-CE1 4.08Å; L469-F482 HydrophobicContact CD1-CE1 4.39Å; L469-F482 HydrophobicContact CD1-CZ 3.98Å; L469-F482 HydrophobicContact CD2-CE1 4.41Å; L469-F482 HydrophobicContact CD2-CZ 3.84Å; F480-F482 HydrophobicContact CB-CD2 4.13Å; F480-F482 HydrophobicContact CB-CE2 3.7Å; F480-F482 HydrophobicContact CD1-CE2 4.07Å; F480-F482 HydrophobicContact CD1-CZ 4.34Å; F480-F482 HydrophobicContact CG-CE2 4.16Å; F482-G484 VanDerWaalsContact C-N 3.32Å; F482-G484 PolarHBondContact O-N 3.31Å; F482-L485 HydrophobicContact CB-CB 4.49Å; F482-L485 HydrophobicContact CD1-CB 4.47Å; F482-L485 HydrophobicContact CD1-CD1 4.23Å; F482-L485 PolarHBondContact O-N 3.05Å; F482-R486 WeakPolarHBondContact O-CG 3.47Å; F482-R486 PolarHBondContact O-N 3.39Å; F482-L525 HydrophobicContact CD2-CB 4.25Å; F482-L525 HydrophobicContact CE2-CB 3.79Å; F482-L525 HydrophobicContact CE2-CD1 3.48Å; F482-L525 VanDerWaalsContact CE2-CD1 3.48Å; F482-L525 HydrophobicContact CE2-CG 4.22Å; F482-L525 HydrophobicContact CZ-CD1 3.79Å; F482-D526 HydrophobicContact CD2-CB 4.26Å; F482-D526 PolarHBondContact N-OD2 3.34Å | ||
| 483 | S | 93.9 | Very high | 91.8 | Very high | 55 Ų | 55 | 53 Ų | 53 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.8 | -46.4 | 174.6 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | E481 R486 L487 | E481-S483 WeakPolarHBondContact CG-OG 3.44Å; E481-S483 PolarHBondContact OE1-OG 3.16Å; S483-R486 PolarHBondContact O-N 2.89Å; S483-L487 WeakPolarHBondContact O-CB 3.22Å; S483-L487 PolarHBondContact O-N 3.38Å |
| 484 | G | 94.6 | Very high | 92.1 | Very high | 33 Ų | 33 | 51.6 Ų | 51.6 | 34% | 0.34 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.4 | -51.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F482 R486 L487 D488 | F482-G484 VanDerWaalsContact C-N 3.32Å; F482-G484 PolarHBondContact O-N 3.31Å; G484-R486 VanDerWaalsContact C-N 3.32Å; G484-R486 PolarHBondContact O-N 3.44Å; G484-L487 PolarHBondContact O-N 3.39Å; G484-L487 VanDerWaalsContact O-N 3.16Å; G484-D488 WeakPolarHBondContact O-CB 3.27Å; G484-D488 PolarHBondContact O-N 3.35Å |
| 485 | L | 96 | Very high | 92.6 | Very high | 13 Ų | 13 | 52.8 Ų | 52.8 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.3 | -44.9 | 178.9 | -177.9 | 150.7 | 0 | 0 | 0 | 112 | F462 T465 L466 F482 D488 W489 I518 | F462-L485 HydrophobicContact CD1-CD1 4.1Å; F462-L485 HydrophobicContact CD1-CG 3.76Å; F462-L485 HydrophobicContact CE1-CG 3.98Å; T465-L485 HydrophobicContact CG2-CD1 4.3Å; L466-L485 HydrophobicContact CD2-CD1 4.19Å; F482-L485 HydrophobicContact CB-CB 4.49Å; F482-L485 HydrophobicContact CD1-CB 4.47Å; F482-L485 HydrophobicContact CD1-CD1 4.23Å; F482-L485 PolarHBondContact O-N 3.05Å; L485-D488 PolarHBondContact O-N 3.27Å; L485-W489 PolarHBondContact O-N 3.45Å; L485-I518 HydrophobicContact CD2-CG2 4.36Å |
| 486 | R | 96.6 | Very high | 92.9 | Very high | 39 Ų | 39 | 47.7 Ų | 47.7 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68 | -39.1 | 178.9 | -70.1 | -174.2 | -67.6 | -95 | -2.8 | 112.5 | F482 S483 G484 D488 W489 F490 V519 S522 D526 S527 | F482-R486 WeakPolarHBondContact O-CG 3.47Å; F482-R486 PolarHBondContact O-N 3.39Å; S483-R486 PolarHBondContact O-N 2.89Å; G484-R486 VanDerWaalsContact C-N 3.32Å; G484-R486 PolarHBondContact O-N 3.44Å; R486-D488 VanDerWaalsContact C-N 3.34Å; R486-W489 PolarHBondContact O-N 3.04Å; R486-F490 PolarHBondContact O-N 2.99Å; R486-V519 HydrophobicContact CG-CG1 4.21Å; R486-V519 HydrophobicContact CG-CG2 4.48Å; R486-S522 PolarHBondContact NH1-OG 3.43Å; R486-D526 IonicContact CZ-OD1 3.53Å; R486-D526 IonicContact CZ-OD2 2.89Å; R486-D526 IonicContact NH1-OD1 2.78Å; R486-D526 PolarHBondContact NH1-OD1 3.14Å; R486-D526 IonicContact NH1-OD2 3.25Å; R486-D526 PolarHBondContact NH1-OD2 3.49Å; R486-D526 IonicContact NH2-OD1 3.59Å; R486-D526 PolarHBondContact NH2-OD1 3.38Å; R486-D526 IonicContact NH2-OD2 3.33Å; R486-D526 PolarHBondContact NH2-OD2 2.75Å; R486-S527 PolarHBondContact NH2-OG 3.5Å; R486-S527 VanDerWaalsContact NH2-OG 3.1Å |
| 487 | L | 96.3 | Very high | 93.2 | Very high | 52 Ų | 52 | 42.2 Ų | 42.2 | 27% | 0.272 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68 | -36.8 | 175.7 | -176.7 | 60.4 | 0 | 0 | 0 | 111.5 | S483 G484 F490 R491 | S483-L487 WeakPolarHBondContact O-CB 3.22Å; S483-L487 PolarHBondContact O-N 3.38Å; G484-L487 PolarHBondContact O-N 3.39Å; G484-L487 VanDerWaalsContact O-N 3.16Å; L487-F490 CarbonylContact O-C 3.57Å; L487-F490 WeakPolarHBondContact O-CB 3.23Å; L487-F490 PolarHBondContact O-N 3.06Å; L487-R491 WeakPolarHBondContact O-CG 3.39Å; L487-R491 PolarHBondContact O-N 3.39Å |
| 488 | D | 96.1 | Very high | 93.6 | Very high | 37 Ų | 37 | 40.2 Ų | 40.2 | 20% | 0.198 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.3 | -37.2 | 175.1 | -74.3 | -19.5 | 0 | 0 | 0 | 111.9 | I458 F462 G484 L485 R486 F490 R491 L492 | I458-D488 HydrophobicContact CG2-CB 3.98Å; F462-D488 HydrophobicContact CE1-CB 3.71Å; F462-D488 HydrophobicContact CZ-CB 3.94Å; G484-D488 WeakPolarHBondContact O-CB 3.27Å; G484-D488 PolarHBondContact O-N 3.35Å; L485-D488 PolarHBondContact O-N 3.27Å; R486-D488 VanDerWaalsContact C-N 3.34Å; D488-F490 VanDerWaalsContact C-N 3.31Å; D488-F490 PolarHBondContact O-N 3.11Å; D488-R491 WeakPolarHBondContact O-CB 3.45Å; D488-R491 PolarHBondContact O-N 2.93Å; D488-R491 IonicContact OD1-CZ 3.98Å; D488-R491 IonicContact OD1-NH1 2.92Å; D488-R491 PolarHBondContact OD1-NH1 3.07Å; D488-L492 WeakPolarHBondContact O-CB 3.2Å; D488-L492 PolarHBondContact O-N 2.85Å |
| 489 | W | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 169.9 | 174.3 | -126.9 | 0 | 0 | 0 | 111.3 | F462 L485 R486 L492 Q493 L505 M515 N516 V519 | F462-W489 HydrophobicContact CZ-CB 4.2Å; L485-W489 PolarHBondContact O-N 3.45Å; R486-W489 PolarHBondContact O-N 3.04Å; W489-L492 HydrophobicContact CE3-CB 4.12Å; W489-L492 HydrophobicContact CE3-CD2 3.94Å; W489-L492 HydrophobicContact CE3-CG 4.33Å; W489-L492 HydrophobicContact CZ3-CB 4.41Å; W489-L492 HydrophobicContact CZ3-CD2 3.9Å; W489-L492 HydrophobicContact CZ3-CG 4.2Å; W489-L492 PolarHBondContact O-N 3.42Å; W489-Q493 HydrophobicContact CD2-CG 4.12Å; W489-Q493 HydrophobicContact CE3-CG 4.39Å; W489-Q493 HydrophobicContact CH2-CG 4.01Å; W489-Q493 HydrophobicContact CZ2-CG 3.71Å; W489-Q493 HydrophobicContact CZ3-CG 4.34Å; W489-Q493 WeakPolarHBondContact O-CG 3.49Å; W489-Q493 PolarHBondContact O-N 3.41Å; W489-L505 HydrophobicContact CH2-CD1 3.99Å; W489-L505 HydrophobicContact CH2-CD2 4.04Å; W489-M515 HydrophobicContact CB-CE 4.08Å; W489-M515 HydrophobicContact CD2-CB 3.7Å; W489-M515 HydrophobicContact CD2-CE 4.05Å; W489-M515 HydrophobicContact CD2-CG 4.19Å; W489-M515 HydrophobicContact CE3-CB 3.87Å; W489-M515 HydrophobicContact CE3-CE 4.1Å; W489-M515 HydrophobicContact CE3-CG 3.89Å; W489-M515 HydrophobicContact CG-CB 4.43Å; W489-M515 HydrophobicContact CG-CE 4.05Å; W489-M515 HydrophobicContact CH2-CB 3.79Å; W489-M515 HydrophobicContact CH2-CG 4.16Å; W489-M515 HydrophobicContact CZ2-CB 3.57Å; W489-M515 HydrophobicContact CZ2-CG 4.42Å; W489-M515 HydrophobicContact CZ3-CB 3.93Å; W489-M515 HydrophobicContact CZ3-CG 3.88Å; W489-N516 PolarHBondContact NE1-OD1 2.8Å; W489-N516 VanDerWaalsContact NE1-OD1 3.08Å; W489-V519 HydrophobicContact CB-CG2 4.5Å; W489-V519 HydrophobicContact CG-CG2 4.13Å |
| 490 | F | 96.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 36.5 Ų | 36.5 | 5% | 0.053 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 175.8 | -168.7 | -177.9 | 0 | 0 | 0 | 111.8 | A12 L15 T16 D126 F127 R486 L487 D488 L492 Q493 A494 | A12-F490 HydrophobicContact CB-CB 4.31Å; A12-F490 HydrophobicContact CB-CD1 4.19Å; A12-F490 HydrophobicContact CB-CD2 3.81Å; A12-F490 HydrophobicContact CB-CE1 4.47Å; A12-F490 HydrophobicContact CB-CE2 4.02Å; A12-F490 HydrophobicContact CB-CG 3.84Å; A12-F490 HydrophobicContact CB-CZ 4.37Å; L15-F490 HydrophobicContact CB-CZ 4.11Å; L15-F490 HydrophobicContact CD1-CE2 4.41Å; L15-F490 HydrophobicContact CD1-CZ 4.16Å; T16-F490 WeakPolarHBondContact OG1-CE1 3.22Å; D126-F490 HydrophobicContact CB-CB 4.36Å; D126-F490 HydrophobicContact CB-CD1 4.21Å; D126-F490 HydrophobicContact CB-CD2 3.96Å; D126-F490 HydrophobicContact CB-CE2 4.39Å; D126-F490 HydrophobicContact CB-CG 3.92Å; F127-F490 VanDerWaalsContact CA-CE2 3.42Å; F127-F490 HydrophobicContact CB-CD2 4.23Å; F127-F490 HydrophobicContact CB-CE2 3.82Å; F127-F490 AromaticContact CD2-CE2 3.89Å; F127-F490 HydrophobicContact CD2-CE2 3.89Å; F127-F490 HydrophobicContact CG-CE2 4.32Å; R486-F490 PolarHBondContact O-N 2.99Å; L487-F490 CarbonylContact O-C 3.57Å; L487-F490 WeakPolarHBondContact O-CB 3.23Å; L487-F490 PolarHBondContact O-N 3.06Å; D488-F490 VanDerWaalsContact C-N 3.31Å; D488-F490 PolarHBondContact O-N 3.11Å; F490-L492 VanDerWaalsContact C-N 3.35Å; F490-L492 PolarHBondContact O-N 2.92Å; F490-Q493 WeakPolarHBondContact O-CB 3.13Å; F490-Q493 PolarHBondContact O-N 3.02Å; F490-A494 PolarHBondContact O-N 3.35Å |
| 491 | R | 94.9 | Very high | 93.2 | Very high | 57 Ų | 57 | 35.5 Ų | 35.5 | 22% | 0.215 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.4 | -46.7 | 171.3 | -72.8 | 171.7 | 176.4 | 128.8 | 3.7 | 111.5 | A12 E13 L487 D488 Q493 A494 Y495 | A12-R491 HydrophobicContact CB-CG 4.07Å; E13-R491 IonicContact OE1-CZ 2.88Å; E13-R491 VanDerWaalsContact OE1-CZ 3.29Å; E13-R491 IonicContact OE1-NE 3.93Å; E13-R491 PolarHBondContact OE1-NE 3.49Å; E13-R491 IonicContact OE1-NH2 2.71Å; E13-R491 PolarHBondContact OE1-NH2 3.06Å; L487-R491 WeakPolarHBondContact O-CG 3.39Å; L487-R491 PolarHBondContact O-N 3.39Å; D488-R491 WeakPolarHBondContact O-CB 3.45Å; D488-R491 PolarHBondContact O-N 2.93Å; D488-R491 IonicContact OD1-CZ 3.98Å; D488-R491 IonicContact OD1-NH1 2.92Å; D488-R491 PolarHBondContact OD1-NH1 3.07Å; R491-Q493 PolarHBondContact O-N 2.93Å; R491-A494 WeakPolarHBondContact O-CB 3.42Å; R491-A494 PolarHBondContact O-N 3.26Å; R491-A494 VanDerWaalsContact O-N 3.08Å; R491-Y495 HydrophobicContact CB-CE2 3.98Å; R491-Y495 WeakPolarHBondContact O-CD1 3.47Å; R491-Y495 WeakPolarHBondContact O-CD2 3.47Å; R491-Y495 PolarHBondContact O-N 2.92Å |
| 492 | L | 94.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | -179.9 | -172.7 | 60.5 | 0 | 0 | 0 | 112.1 | E455 I458 M459 F462 D488 W489 F490 A494 Y495 T496 | E455-L492 HydrophobicContact CB-CD1 3.73Å; E455-L492 HydrophobicContact CG-CD1 3.44Å; E455-L492 VanDerWaalsContact CG-CD1 3.44Å; I458-L492 HydrophobicContact CG2-CD2 4.41Å; M459-L492 HydrophobicContact CE-CD1 4.23Å; M459-L492 HydrophobicContact CE-CD2 3.77Å; M459-L492 HydrophobicContact CE-CG 4.48Å; M459-L492 HydrophobicContact CG-CD2 3.94Å; F462-L492 HydrophobicContact CE2-CD2 4.08Å; D488-L492 WeakPolarHBondContact O-CB 3.2Å; D488-L492 PolarHBondContact O-N 2.85Å; W489-L492 HydrophobicContact CE3-CB 4.12Å; W489-L492 HydrophobicContact CE3-CD2 3.94Å; W489-L492 HydrophobicContact CE3-CG 4.33Å; W489-L492 HydrophobicContact CZ3-CB 4.41Å; W489-L492 HydrophobicContact CZ3-CD2 3.9Å; W489-L492 HydrophobicContact CZ3-CG 4.2Å; W489-L492 PolarHBondContact O-N 3.42Å; F490-L492 VanDerWaalsContact C-N 3.35Å; F490-L492 PolarHBondContact O-N 2.92Å; L492-A494 VanDerWaalsContact C-N 3.33Å; L492-A494 PolarHBondContact O-N 3.27Å; L492-Y495 PolarHBondContact O-N 3.13Å; L492-T496 HydrophobicContact CD1-CG2 4Å; L492-T496 HydrophobicContact CG-CG2 4.45Å; L492-T496 WeakPolarHBondContact O-CB 3.32Å; L492-T496 WeakPolarHBondContact O-CG2 3.35Å; L492-T496 PolarHBondContact O-N 3.22Å; L492-T496 PolarHBondContact O-OG1 2.57Å |
| 493 | Q | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.5 | -47.2 | 170 | -73.6 | 173.9 | 46.1 | 0 | 0 | 110.9 | N124 D126 F127 W489 F490 R491 T496 S497 L505 | N124-Q493 VanDerWaalsContact CA-OE1 3.28Å; N124-Q493 HydrophobicContact CB-CB 4.01Å; N124-Q493 HydrophobicContact CB-CG 3.98Å; N124-Q493 PolarHBondContact O-OE1 2.98Å; D126-Q493 VanDerWaalsContact N-OE1 3.14Å; D126-Q493 PolarHBondContact OD2-NE2 3.39Å; F127-Q493 HydrophobicContact CB-CB 4.17Å; W489-Q493 HydrophobicContact CD2-CG 4.12Å; W489-Q493 HydrophobicContact CE3-CG 4.39Å; W489-Q493 HydrophobicContact CH2-CG 4.01Å; W489-Q493 HydrophobicContact CZ2-CG 3.71Å; W489-Q493 HydrophobicContact CZ3-CG 4.34Å; W489-Q493 WeakPolarHBondContact O-CG 3.49Å; W489-Q493 PolarHBondContact O-N 3.41Å; F490-Q493 WeakPolarHBondContact O-CB 3.13Å; F490-Q493 PolarHBondContact O-N 3.02Å; R491-Q493 PolarHBondContact O-N 2.93Å; Q493-T496 PolarHBondContact O-OG1 3.19Å; Q493-S497 WeakPolarHBondContact O-CB 3.38Å; Q493-S497 PolarHBondContact O-N 2.72Å; Q493-S497 PolarHBondContact O-OG 2.92Å; Q493-L505 HydrophobicContact CG-CD2 4.46Å |
| 494 | A | 92.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L11 F127 F490 R491 L492 T496 S497 | L11-A494 HydrophobicContact CB-CB 4.14Å; F127-A494 HydrophobicContact CD2-CB 4.49Å; F127-A494 HydrophobicContact CE2-CB 4.34Å; F490-A494 PolarHBondContact O-N 3.35Å; R491-A494 WeakPolarHBondContact O-CB 3.42Å; R491-A494 PolarHBondContact O-N 3.26Å; R491-A494 VanDerWaalsContact O-N 3.08Å; L492-A494 VanDerWaalsContact C-N 3.33Å; L492-A494 PolarHBondContact O-N 3.27Å; A494-T496 VanDerWaalsContact C-N 3.35Å; A494-T496 PolarHBondContact O-N 3.14Å; A494-S497 PolarHBondContact O-N 3.48Å |
| 495 | Y | 91.9 | Very high | 92.1 | Very high | 34 Ų | 34 | 28.4 Ų | 28.4 | 13% | 0.133 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.7 | -38.9 | -179.2 | -59.8 | -20 | 0 | 0 | 0 | 112.6 | Y7 I458 R491 L492 S497 A501 | Y7-Y495 AromaticContact CD1-CD1 3.73Å; Y7-Y495 HydrophobicContact CD1-CD1 3.73Å; Y7-Y495 AromaticContact CD1-CD2 3.75Å; Y7-Y495 HydrophobicContact CD1-CD2 3.75Å; Y7-Y495 AromaticContact CD1-CE1 3.82Å; Y7-Y495 HydrophobicContact CD1-CE1 3.82Å; Y7-Y495 AromaticContact CD1-CE2 3.83Å; Y7-Y495 HydrophobicContact CD1-CE2 3.83Å; Y7-Y495 AromaticContact CD1-CG 3.71Å; Y7-Y495 HydrophobicContact CD1-CG 3.71Å; Y7-Y495 AromaticContact CD1-CZ 3.87Å; Y7-Y495 HydrophobicContact CE1-CD1 4.21Å; Y7-Y495 AromaticContact CE1-CD2 3.76Å; Y7-Y495 HydrophobicContact CE1-CD2 3.76Å; Y7-Y495 HydrophobicContact CE1-CE2 4.25Å; Y7-Y495 AromaticContact CE1-CG 3.75Å; Y7-Y495 HydrophobicContact CE1-CG 3.75Å; I458-Y495 HydrophobicContact CD1-CE2 4.13Å; R491-Y495 HydrophobicContact CB-CE2 3.98Å; R491-Y495 WeakPolarHBondContact O-CD1 3.47Å; R491-Y495 WeakPolarHBondContact O-CD2 3.47Å; R491-Y495 PolarHBondContact O-N 2.92Å; L492-Y495 PolarHBondContact O-N 3.13Å; Y495-S497 VanDerWaalsContact C-N 3.35Å; Y495-A501 VanDerWaalsContact O-CB 3.28Å; Y495-A501 WeakPolarHBondContact O-CB 3.25Å |
| 496 | T | 91.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -88.3 | -2.5 | -176.9 | 58 | 0 | 0 | 0 | 0 | 114.1 | L492 Q493 A494 L503 L505 | L492-T496 HydrophobicContact CD1-CG2 4Å; L492-T496 HydrophobicContact CG-CG2 4.45Å; L492-T496 WeakPolarHBondContact O-CB 3.32Å; L492-T496 WeakPolarHBondContact O-CG2 3.35Å; L492-T496 PolarHBondContact O-N 3.22Å; L492-T496 PolarHBondContact O-OG1 2.57Å; Q493-T496 PolarHBondContact O-OG1 3.19Å; A494-T496 VanDerWaalsContact C-N 3.35Å; A494-T496 PolarHBondContact O-N 3.14Å; T496-L503 VanDerWaalsContact CA-O 3.24Å; T496-L503 WeakPolarHBondContact CA-O 3.22Å; T496-L503 VanDerWaalsContact CB-O 3.29Å; T496-L503 WeakPolarHBondContact CB-O 3.27Å; T496-L503 HydrophobicContact CG2-CB 4.26Å; T496-L503 HydrophobicContact CG2-CD2 3.99Å; T496-L503 HydrophobicContact CG2-CG 4.04Å; T496-L503 WeakPolarHBondContact CG2-O 3.41Å; T496-L505 PolarHBondContact O-N 3.42Å |
| 497 | S | 93.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -103.2 | -6.2 | -179 | -60.2 | 0 | 0 | 0 | 0 | 113.9 | C117 H118 N124 Q493 A494 Y495 | C117-S497 CarbonylContact C-O 3.56Å; C117-S497 WeakPolarHBondContact CA-O 3.38Å; H118-S497 PolarHBondContact N-O 2.85Å; H118-S497 WeakPolarHBondContact O-CB 3.17Å; N124-S497 PolarHBondContact ND2-OG 2.9Å; Q493-S497 WeakPolarHBondContact O-CB 3.38Å; Q493-S497 PolarHBondContact O-N 2.72Å; Q493-S497 PolarHBondContact O-OG 2.92Å; A494-S497 PolarHBondContact O-N 3.48Å; Y495-S497 VanDerWaalsContact C-N 3.35Å |
| 498 | V | 91.9 | Very high | 91 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 9% | 0.085 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -76.3 | 147.6 | 174.7 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | A6 C115 K500 A501 H504 | A6-V498 HydrophobicContact CB-CG2 4.29Å; C115-V498 HydrophobicContact CB-CB 4.4Å; C115-V498 HydrophobicContact CB-CG1 3.95Å; V498-K500 PolarHBondContact O-N 3.46Å; V498-K500 VanDerWaalsContact O-N 3.08Å; V498-A501 HydrophobicContact CG2-CB 3.77Å; V498-A501 VanDerWaalsContact O-CB 3.31Å; V498-A501 WeakPolarHBondContact O-CB 3.45Å; V498-A501 PolarHBondContact O-N 3Å; V498-H504 PolarHBondContact O-CE1 3.38Å |
| 499 | A | 86.8 | Confident | 90.8 | Very high | 47 Ų | 47 | 36.4 Ų | 36.4 | 39% | 0.388 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | C115 Q116 | C115-A499 PolarHBondContact O-N 3.42Å; C115-A499 VanDerWaalsContact O-N 3.12Å; Q116-A499 HydrophobicContact CB-CB 3.69Å |
| 500 | K | 85.1 | Confident | 90.5 | Very high | 169 Ų | 169 | 40.9 Ų | 40.9 | 74% | 0.735 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | 24.6 | 177.8 | -63.2 | -177.6 | 179.9 | 177.2 | 0 | 112.4 | V498 | V498-K500 PolarHBondContact O-N 3.46Å; V498-K500 VanDerWaalsContact O-N 3.08Å |
| 501 | A | 86.4 | Confident | 90.3 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | trans | -64 | 141 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y495 V498 L503 H504 | Y495-A501 VanDerWaalsContact O-CB 3.28Å; Y495-A501 WeakPolarHBondContact O-CB 3.25Å; V498-A501 HydrophobicContact CG2-CB 3.77Å; V498-A501 VanDerWaalsContact O-CB 3.31Å; V498-A501 WeakPolarHBondContact O-CB 3.45Å; V498-A501 PolarHBondContact O-N 3Å; A501-L503 VanDerWaalsContact C-N 3.27Å; A501-L503 WeakPolarHBondContact CB-O 3.48Å; A501-H504 PolarHBondContact O-CE1 3.35Å; A501-H504 PolarHBondContact O-NE2 3.43Å | ||
| 502 | P | 84.4 | Confident | 90.1 | Very high | 51 Ų | 51 | 37.7 Ų | 37.7 | 33% | 0.331 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -70.3 | -24.8 | 174.2 | 28.9 | -36.3 | 0 | 0 | 0 | 113.1 | L3 P452 | L3-P502 HydrophobicContact CD2-CG 4.35Å; P452-P502 HydrophobicContact CB-CG 4.28Å; P452-P502 HydrophobicContact CG-CB 3.73Å; P452-P502 HydrophobicContact CG-CG 3.17Å |
| 503 | L | 88.4 | Confident | 90 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -124.1 | 126.7 | 173.2 | 173.9 | 65.9 | 0 | 0 | 0 | 108.5 | L448 M459 T496 A501 | L448-L503 HydrophobicContact CD2-CD1 4.46Å; M459-L503 HydrophobicContact CE-CD2 3.65Å; T496-L503 VanDerWaalsContact CA-O 3.24Å; T496-L503 WeakPolarHBondContact CA-O 3.22Å; T496-L503 VanDerWaalsContact CB-O 3.29Å; T496-L503 WeakPolarHBondContact CB-O 3.27Å; T496-L503 HydrophobicContact CG2-CB 4.26Å; T496-L503 HydrophobicContact CG2-CD2 3.99Å; T496-L503 HydrophobicContact CG2-CG 4.04Å; T496-L503 WeakPolarHBondContact CG2-O 3.41Å; A501-L503 VanDerWaalsContact C-N 3.27Å; A501-L503 WeakPolarHBondContact CB-O 3.48Å |
| 504 | H | 89.8 | Confident | 90 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 18% | 0.176 | 22% | 0.217 | C | C | . | . | trans | -107.9 | 129.5 | 178.9 | -72.3 | -56.9 | 0 | 0 | 0 | 112 | V498 A501 H506 E507 N508 | V498-H504 PolarHBondContact O-CE1 3.38Å; A501-H504 PolarHBondContact O-CE1 3.35Å; A501-H504 PolarHBondContact O-NE2 3.43Å; H504-H506 AromaticContact CG-CE1 3.73Å; H504-H506 PolarHBondContact O-N 3.11Å; H504-E507 HydrophobicContact CB-CB 4.39Å; H504-E507 HydrophobicContact CB-CG 4.01Å; H504-E507 PolarHBondContact O-N 3.48Å; H504-N508 PolarHBondContact O-ND2 3.44Å | ||
| 505 | L | 89.5 | Confident | 90 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -70.1 | -33 | -179.2 | -167.6 | 62.9 | 0 | 0 | 0 | 113 | L123 N124 W489 Q493 T496 E507 N508 L511 A512 | L123-L505 HydrophobicContact CB-CD2 4.46Å; N124-L505 HydrophobicContact CB-CD2 3.99Å; W489-L505 HydrophobicContact CH2-CD1 3.99Å; W489-L505 HydrophobicContact CH2-CD2 4.04Å; Q493-L505 HydrophobicContact CG-CD2 4.46Å; T496-L505 PolarHBondContact O-N 3.42Å; L505-E507 PolarHBondContact O-N 2.76Å; L505-N508 CarbonylContact O-C 3.53Å; L505-N508 PolarHBondContact O-N 3.03Å; L505-L511 HydrophobicContact CD1-CD2 4.18Å; L505-L511 HydrophobicContact CD1-CG 4.42Å; L505-A512 HydrophobicContact CD1-CB 3.91Å; L505-A512 HydrophobicContact CD2-CB 4.03Å; L505-A512 HydrophobicContact CG-CB 3.98Å |
| 506 | H | 88.2 | Confident | 90.1 | Very high | 89 Ų | 89 | 40.5 Ų | 40.5 | 41% | 0.412 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -68.9 | -21.8 | 179.6 | 72.2 | -86 | 0 | 0 | 0 | 113.5 | L123 H504 N508 | L123-H506 HydrophobicContact CD1-CB 4.22Å; H504-H506 AromaticContact CG-CE1 3.73Å; H504-H506 PolarHBondContact O-N 3.11Å; H506-N508 VanDerWaalsContact C-N 3.34Å |
| 507 | E | 89.1 | Confident | 90.2 | Very high | 128 Ų | 128 | 41.6 Ų | 41.6 | 60% | 0.598 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -82.7 | -15.7 | 172.3 | -61.1 | 180 | 161.3 | 0 | 0 | 111.8 | H504 L505 P509 | H504-E507 HydrophobicContact CB-CB 4.39Å; H504-E507 HydrophobicContact CB-CG 4.01Å; H504-E507 PolarHBondContact O-N 3.48Å; L505-E507 PolarHBondContact O-N 2.76Å; E507-P509 VanDerWaalsContact C-CD 3.45Å; E507-P509 WeakPolarHBondContact O-CD 3.37Å |
| 508 | N | 89.4 | Confident | 90.3 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | trans | -128 | 61.3 | -176.7 | -60.8 | -82.5 | 0 | 0 | 0 | 111.3 | L448 H504 L505 H506 D510 L511 | L448-N508 HydrophobicContact CD2-CB 4.4Å; L448-N508 WeakPolarHBondContact CD2-OD1 3.25Å; H504-N508 PolarHBondContact O-ND2 3.44Å; L505-N508 CarbonylContact O-C 3.53Å; L505-N508 PolarHBondContact O-N 3.03Å; H506-N508 VanDerWaalsContact C-N 3.34Å; N508-D510 VanDerWaalsContact C-N 3.28Å; N508-D510 PolarHBondContact O-N 3.17Å; N508-L511 WeakPolarHBondContact O-CB 3.37Å; N508-L511 PolarHBondContact O-N 3.48Å | ||
| 509 | P | 90.2 | Very high | 90.5 | Very high | 47 Ų | 47 | 41.1 Ų | 41.1 | 31% | 0.305 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.4 | -27.9 | -172.9 | 27.2 | -35.8 | 0 | 0 | 0 | 113.6 | L123 E507 L511 A512 K513 | L123-P509 HydrophobicContact CD2-CB 3.84Å; E507-P509 VanDerWaalsContact C-CD 3.45Å; E507-P509 WeakPolarHBondContact O-CD 3.37Å; P509-L511 VanDerWaalsContact C-N 3.3Å; P509-L511 PolarHBondContact O-N 3.39Å; P509-A512 WeakPolarHBondContact O-CB 3.31Å; P509-A512 PolarHBondContact O-N 2.52Å; P509-A512 VanDerWaalsContact O-N 3.13Å; P509-K513 WeakPolarHBondContact O-CG 3.41Å; P509-K513 PolarHBondContact O-N 3.17Å |
| 510 | D | 91.1 | Very high | 90.9 | Very high | 94 Ų | 94 | 39.1 Ų | 39.1 | 50% | 0.503 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.2 | -33.5 | -179.8 | -64 | -36.1 | 0 | 0 | 0 | 112.2 | I444 N508 A512 K513 V514 | I444-D510 HydrophobicContact CD1-CB 4.38Å; N508-D510 VanDerWaalsContact C-N 3.28Å; N508-D510 PolarHBondContact O-N 3.17Å; D510-A512 VanDerWaalsContact C-N 3.35Å; D510-K513 PolarHBondContact O-N 2.79Å; D510-V514 WeakPolarHBondContact O-CG2 3.48Å; D510-V514 PolarHBondContact O-N 3.38Å |
| 511 | L | 91.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 171.5 | 176.3 | 64.8 | 0 | 0 | 0 | 110.9 | L441 I444 M459 L505 N508 P509 M515 | L441-L511 HydrophobicContact CD1-CD1 3.82Å; I444-L511 HydrophobicContact CG2-CB 4.01Å; I444-L511 HydrophobicContact CG2-CD1 4.26Å; M459-L511 HydrophobicContact CE-CD2 3.6Å; L505-L511 HydrophobicContact CD1-CD2 4.18Å; L505-L511 HydrophobicContact CD1-CG 4.42Å; N508-L511 WeakPolarHBondContact O-CB 3.37Å; N508-L511 PolarHBondContact O-N 3.48Å; P509-L511 VanDerWaalsContact C-N 3.3Å; P509-L511 PolarHBondContact O-N 3.39Å; L511-M515 HydrophobicContact CD1-CG 3.99Å; L511-M515 HydrophobicContact CG-CG 4.5Å; L511-M515 VanDerWaalsContact O-CB 3.31Å; L511-M515 WeakPolarHBondContact O-CB 3.43Å; L511-M515 WeakPolarHBondContact O-CG 3.44Å; L511-M515 PolarHBondContact O-N 2.92Å |
| 512 | A | 91.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L123 L505 P509 D510 M515 N516 | L123-A512 HydrophobicContact CB-CB 4.22Å; L123-A512 HydrophobicContact CD2-CB 3.97Å; L505-A512 HydrophobicContact CD1-CB 3.91Å; L505-A512 HydrophobicContact CD2-CB 4.03Å; L505-A512 HydrophobicContact CG-CB 3.98Å; P509-A512 WeakPolarHBondContact O-CB 3.31Å; P509-A512 PolarHBondContact O-N 2.52Å; P509-A512 VanDerWaalsContact O-N 3.13Å; D510-A512 VanDerWaalsContact C-N 3.35Å; A512-M515 PolarHBondContact O-N 3.16Å; A512-N516 VanDerWaalsContact O-CB 3.28Å; A512-N516 WeakPolarHBondContact O-CB 3.48Å; A512-N516 PolarHBondContact O-N 3.45Å; A512-N516 PolarHBondContact O-ND2 3.02Å; A512-N516 VanDerWaalsContact O-ND2 3.11Å |
| 513 | K | 91.5 | Very high | 92.4 | Very high | 65 Ų | 65 | 30.4 Ų | 30.4 | 28% | 0.283 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58.3 | -51 | 178.4 | -69.1 | 178 | -176.4 | -169.5 | 0 | 111.7 | D244 P509 D510 N516 L517 | D244-K513 HydrophobicContact CB-CD 3.97Å; D244-K513 HydrophobicContact CB-CG 4.19Å; D244-K513 WeakPolarHBondContact OD2-CE 3.35Å; D244-K513 IonicContact OD2-NZ 3.7Å; D244-K513 PolarHBondContact OD2-NZ 2.96Å; P509-K513 WeakPolarHBondContact O-CG 3.41Å; P509-K513 PolarHBondContact O-N 3.17Å; D510-K513 PolarHBondContact O-N 2.79Å; K513-N516 PolarHBondContact O-N 3.19Å; K513-L517 WeakPolarHBondContact O-CB 3.42Å; K513-L517 PolarHBondContact O-N 3.28Å |
| 514 | V | 93.8 | Very high | 92.8 | Very high | 23 Ų | 23 | 30 Ų | 30 | 14% | 0.139 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.8 | -42.1 | -178.9 | 172 | 0 | 0 | 0 | 0 | 111.2 | V440 L441 I444 D510 L517 I518 | V440-V514 HydrophobicContact CG1-CG1 4.32Å; V440-V514 HydrophobicContact CG1-CG2 3.89Å; L441-V514 HydrophobicContact CB-CG1 4.32Å; I444-V514 HydrophobicContact CD1-CB 4.13Å; I444-V514 HydrophobicContact CD1-CG2 3.59Å; D510-V514 WeakPolarHBondContact O-CG2 3.48Å; D510-V514 PolarHBondContact O-N 3.38Å; V514-L517 WeakPolarHBondContact O-CB 3.45Å; V514-L517 PolarHBondContact O-N 2.89Å; V514-I518 HydrophobicContact CG1-CD1 3.74Å; V514-I518 HydrophobicContact CG1-CG1 4.38Å; V514-I518 VanDerWaalsContact O-CG1 3.28Å; V514-I518 WeakPolarHBondContact O-CG1 3.16Å; V514-I518 PolarHBondContact O-N 3.48Å |
| 515 | M | 94.7 | Very high | 93 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.2 | -39.2 | 177.2 | -74.5 | -57.2 | -55.3 | 0 | 0 | 112.7 | L441 F462 W489 L511 A512 L517 I518 V519 | L441-M515 HydrophobicContact CD1-CG 4.21Å; L441-M515 HydrophobicContact CD1-SD 3.64Å; L441-M515 HydrophobicContact CD2-SD 3.74Å; L441-M515 HydrophobicContact CG-SD 4.35Å; F462-M515 HydrophobicContact CD2-CE 3.53Å; F462-M515 HydrophobicContact CD2-SD 3.87Å; F462-M515 HydrophobicContact CE2-CE 3.49Å; F462-M515 VanDerWaalsContact CE2-CE 3.49Å; F462-M515 HydrophobicContact CE2-SD 4.23Å; F462-M515 HydrophobicContact CG-CE 4.13Å; F462-M515 HydrophobicContact CZ-CE 4.05Å; W489-M515 HydrophobicContact CB-CE 4.08Å; W489-M515 HydrophobicContact CD2-CB 3.7Å; W489-M515 HydrophobicContact CD2-CE 4.05Å; W489-M515 HydrophobicContact CD2-CG 4.19Å; W489-M515 HydrophobicContact CE3-CB 3.87Å; W489-M515 HydrophobicContact CE3-CE 4.1Å; W489-M515 HydrophobicContact CE3-CG 3.89Å; W489-M515 HydrophobicContact CG-CB 4.43Å; W489-M515 HydrophobicContact CG-CE 4.05Å; W489-M515 HydrophobicContact CH2-CB 3.79Å; W489-M515 HydrophobicContact CH2-CG 4.16Å; W489-M515 HydrophobicContact CZ2-CB 3.57Å; W489-M515 HydrophobicContact CZ2-CG 4.42Å; W489-M515 HydrophobicContact CZ3-CB 3.93Å; W489-M515 HydrophobicContact CZ3-CG 3.88Å; L511-M515 HydrophobicContact CD1-CG 3.99Å; L511-M515 HydrophobicContact CG-CG 4.5Å; L511-M515 VanDerWaalsContact O-CB 3.31Å; L511-M515 WeakPolarHBondContact O-CB 3.43Å; L511-M515 WeakPolarHBondContact O-CG 3.44Å; L511-M515 PolarHBondContact O-N 2.92Å; A512-M515 PolarHBondContact O-N 3.16Å; M515-L517 VanDerWaalsContact C-N 3.29Å; M515-L517 PolarHBondContact O-N 3.03Å; M515-I518 PolarHBondContact O-N 3.31Å; M515-I518 HydrophobicContact SD-CD1 3.96Å; M515-V519 VanDerWaalsContact O-CG2 3.24Å; M515-V519 WeakPolarHBondContact O-CG2 3.22Å; M515-V519 PolarHBondContact O-N 3.4Å |
| 516 | N | 92.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.5 | -33.9 | 175.2 | -70.1 | -26.7 | 0 | 0 | 0 | 111.9 | L123 W489 A512 K513 F520 | L123-N516 PolarHBondContact O-ND2 3.14Å; W489-N516 PolarHBondContact NE1-OD1 2.8Å; W489-N516 VanDerWaalsContact NE1-OD1 3.08Å; A512-N516 VanDerWaalsContact O-CB 3.28Å; A512-N516 WeakPolarHBondContact O-CB 3.48Å; A512-N516 PolarHBondContact O-N 3.45Å; A512-N516 PolarHBondContact O-ND2 3.02Å; A512-N516 VanDerWaalsContact O-ND2 3.11Å; K513-N516 PolarHBondContact O-N 3.19Å; N516-F520 PolarHBondContact O-N 3.45Å |
| 517 | L | 94.1 | Very high | 93.5 | Very high | 26 Ų | 26 | 26.5 Ų | 26.5 | 14% | 0.136 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.7 | -47.3 | 170.4 | -179.8 | 65.1 | 0 | 0 | 0 | 111.7 | M246 K513 V514 M515 V519 F520 H521 | M246-L517 HydrophobicContact CE-CD1 3.78Å; M246-L517 HydrophobicContact CG-CB 4.36Å; M246-L517 HydrophobicContact CG-CD1 3.53Å; M246-L517 HydrophobicContact SD-CD1 3.89Å; K513-L517 WeakPolarHBondContact O-CB 3.42Å; K513-L517 PolarHBondContact O-N 3.28Å; V514-L517 WeakPolarHBondContact O-CB 3.45Å; V514-L517 PolarHBondContact O-N 2.89Å; M515-L517 VanDerWaalsContact C-N 3.29Å; M515-L517 PolarHBondContact O-N 3.03Å; L517-V519 VanDerWaalsContact C-N 3.3Å; L517-V519 PolarHBondContact O-N 3.12Å; L517-F520 WeakPolarHBondContact O-CB 3.37Å; L517-F520 PolarHBondContact O-N 3.2Å; L517-F520 VanDerWaalsContact O-N 3.11Å; L517-H521 VanDerWaalsContact CD1-NE2 3.35Å; L517-H521 WeakPolarHBondContact CD1-NE2 3.44Å; L517-H521 PolarHBondContact O-N 2.86Å |
| 518 | I | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.1 | -40.6 | 176.4 | -73.4 | 167.3 | 0 | 0 | 0 | 111.4 | L433 D437 L441 L466 L485 V514 M515 F520 H521 S522 | L433-I518 HydrophobicContact CD2-CB 4.42Å; L433-I518 HydrophobicContact CD2-CG1 4.36Å; L433-I518 HydrophobicContact CD2-CG2 4.01Å; D437-I518 HydrophobicContact CB-CD1 4Å; D437-I518 HydrophobicContact CB-CG1 3.65Å; L441-I518 HydrophobicContact CB-CD1 4.11Å; L441-I518 HydrophobicContact CD2-CD1 3.82Å; L441-I518 HydrophobicContact CG-CD1 4.37Å; L466-I518 HydrophobicContact CD1-CD1 3.94Å; L466-I518 HydrophobicContact CD1-CG1 4.35Å; L466-I518 HydrophobicContact CD1-CG2 3.97Å; L466-I518 HydrophobicContact CD2-CG2 4.4Å; L485-I518 HydrophobicContact CD2-CG2 4.36Å; V514-I518 HydrophobicContact CG1-CD1 3.74Å; V514-I518 HydrophobicContact CG1-CG1 4.38Å; V514-I518 VanDerWaalsContact O-CG1 3.28Å; V514-I518 WeakPolarHBondContact O-CG1 3.16Å; V514-I518 PolarHBondContact O-N 3.48Å; M515-I518 PolarHBondContact O-N 3.31Å; M515-I518 HydrophobicContact SD-CD1 3.96Å; I518-F520 VanDerWaalsContact C-N 3.34Å; I518-F520 PolarHBondContact O-N 3.44Å; I518-H521 PolarHBondContact O-N 3.4Å; I518-S522 WeakPolarHBondContact O-CB 3.32Å; I518-S522 PolarHBondContact O-N 2.92Å; I518-S522 PolarHBondContact O-OG 3.48Å |
| 519 | V | 95.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 22.9 Ų | 22.9 | 5% | 0.048 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.6 | -45.9 | 175.7 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | R486 W489 M515 L517 S522 R523 | R486-V519 HydrophobicContact CG-CG1 4.21Å; R486-V519 HydrophobicContact CG-CG2 4.48Å; W489-V519 HydrophobicContact CB-CG2 4.5Å; W489-V519 HydrophobicContact CG-CG2 4.13Å; M515-V519 VanDerWaalsContact O-CG2 3.24Å; M515-V519 WeakPolarHBondContact O-CG2 3.22Å; M515-V519 PolarHBondContact O-N 3.4Å; L517-V519 VanDerWaalsContact C-N 3.3Å; L517-V519 PolarHBondContact O-N 3.12Å; V519-S522 PolarHBondContact O-N 2.88Å; V519-S522 PolarHBondContact O-OG 2.91Å; V519-R523 WeakPolarHBondContact O-CG 3.35Å; V519-R523 PolarHBondContact O-N 3.49Å |
| 520 | F | 95.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.018 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.5 | -48.7 | 174.8 | 175.3 | -100.9 | 0 | 0 | 0 | 111.6 | M246 Y250 A366 L367 F370 N516 L517 I518 S522 R523 M524 L531 | M246-F520 HydrophobicContact CB-CB 4.12Å; M246-F520 HydrophobicContact CB-CG 4.38Å; M246-F520 HydrophobicContact CE-CD1 3.31Å; M246-F520 HydrophobicContact CE-CE1 3.51Å; M246-F520 HydrophobicContact CE-CG 4Å; M246-F520 HydrophobicContact CE-CZ 4.31Å; Y250-F520 AromaticContact CE1-CD2 3.68Å; Y250-F520 HydrophobicContact CE1-CD2 3.68Å; Y250-F520 AromaticContact CE1-CE2 3.91Å; Y250-F520 HydrophobicContact CE1-CE2 3.91Å; A366-F520 HydrophobicContact CB-CZ 4.3Å; L367-F520 HydrophobicContact CB-CZ 4.3Å; L367-F520 HydrophobicContact CD1-CE2 4.35Å; L367-F520 HydrophobicContact CD1-CZ 4.35Å; F370-F520 HydrophobicContact CD2-CE2 4.18Å; F370-F520 HydrophobicContact CD2-CZ 4.33Å; N516-F520 PolarHBondContact O-N 3.45Å; L517-F520 WeakPolarHBondContact O-CB 3.37Å; L517-F520 PolarHBondContact O-N 3.2Å; L517-F520 VanDerWaalsContact O-N 3.11Å; I518-F520 VanDerWaalsContact C-N 3.34Å; I518-F520 PolarHBondContact O-N 3.44Å; F520-S522 PolarHBondContact O-N 3.01Å; F520-R523 WeakPolarHBondContact O-CB 3.49Å; F520-R523 PolarHBondContact O-N 3.39Å; F520-R523 VanDerWaalsContact O-N 3.14Å; F520-M524 HydrophobicContact CD2-CE 4.48Å; F520-M524 HydrophobicContact CE1-CG 4.15Å; F520-M524 HydrophobicContact CE2-CE 3.94Å; F520-M524 HydrophobicContact CE2-SD 4.43Å; F520-M524 HydrophobicContact CZ-CE 4.17Å; F520-M524 HydrophobicContact CZ-CG 4.22Å; F520-M524 HydrophobicContact CZ-SD 4.05Å; F520-M524 WeakPolarHBondContact O-CG 3.19Å; F520-M524 PolarHBondContact O-N 3.34Å; F520-L531 HydrophobicContact CE2-CD2 4.19Å |
| 521 | H | 95.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 23.6 Ų | 23.6 | 4% | 0.037 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 178.2 | -65.5 | 171.8 | 0 | 0 | 0 | 112.9 | H429 Y432 L433 D437 L517 I518 R523 M524 | H429-H521 AromaticContact CD2-CD2 3.4Å; H429-H521 PolarHBondContact CD2-CD2 2.87Å; H429-H521 VanDerWaalsContact CD2-CD2 3.4Å; H429-H521 AromaticContact CD2-CG 3.89Å; H429-H521 AromaticContact NE2-CD2 3.94Å; Y432-H521 AromaticContact CD1-CE1 3.51Å; Y432-H521 AromaticContact CD1-ND1 3.84Å; Y432-H521 AromaticContact CE1-CE1 3.72Å; Y432-H521 AromaticContact CG-CE1 3.79Å; L433-H521 HydrophobicContact CD1-CB 4.11Å; L433-H521 HydrophobicContact CD2-CB 3.64Å; L433-H521 HydrophobicContact CG-CB 3.76Å; D437-H521 IonicContact OD1-CE1 3.29Å; D437-H521 IonicContact OD1-ND1 3.6Å; D437-H521 IonicContact OD2-CE1 3.85Å; D437-H521 IonicContact OD2-CG 3.27Å; D437-H521 IonicContact OD2-ND1 2.79Å; D437-H521 PolarHBondContact OD2-ND1 2.97Å; L517-H521 VanDerWaalsContact CD1-NE2 3.35Å; L517-H521 WeakPolarHBondContact CD1-NE2 3.44Å; L517-H521 PolarHBondContact O-N 2.86Å; I518-H521 PolarHBondContact O-N 3.4Å; H521-R523 VanDerWaalsContact C-N 3.32Å; H521-R523 PolarHBondContact O-N 2.9Å; H521-M524 VanDerWaalsContact O-CB 3.31Å; H521-M524 WeakPolarHBondContact O-CB 3.26Å; H521-M524 PolarHBondContact O-N 3.43Å; H521-M524 VanDerWaalsContact O-N 3.11Å |
| 522 | S | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.1 | -37.3 | 175.2 | 73.6 | 0 | 0 | 0 | 0 | 112.1 | R486 I518 V519 F520 M524 L525 D526 | R486-S522 PolarHBondContact NH1-OG 3.43Å; I518-S522 WeakPolarHBondContact O-CB 3.32Å; I518-S522 PolarHBondContact O-N 2.92Å; I518-S522 PolarHBondContact O-OG 3.48Å; V519-S522 PolarHBondContact O-N 2.88Å; V519-S522 PolarHBondContact O-OG 2.91Å; F520-S522 PolarHBondContact O-N 3.01Å; S522-M524 PolarHBondContact O-N 3.46Å; S522-L525 WeakPolarHBondContact O-CB 3.49Å; S522-L525 PolarHBondContact O-N 3.43Å; S522-D526 PolarHBondContact O-N 2.85Å; S522-D526 VanDerWaalsContact O-OD1 3.1Å |
| 523 | R | 96 | Very high | 95.1 | Very high | 38 Ų | 38 | 25.2 Ų | 25.2 | 14% | 0.143 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.6 | -30.2 | 174.4 | -72 | 177.7 | 180 | -148.5 | 2.2 | 111.5 | V519 F520 H521 L525 S527 V528 E534 | V519-R523 WeakPolarHBondContact O-CG 3.35Å; V519-R523 PolarHBondContact O-N 3.49Å; F520-R523 WeakPolarHBondContact O-CB 3.49Å; F520-R523 PolarHBondContact O-N 3.39Å; F520-R523 VanDerWaalsContact O-N 3.14Å; H521-R523 VanDerWaalsContact C-N 3.32Å; H521-R523 PolarHBondContact O-N 2.9Å; R523-L525 PolarHBondContact O-N 2.96Å; R523-S527 CarbonylContact O-C 3.13Å; R523-S527 VanDerWaalsContact O-C 3.27Å; R523-S527 WeakPolarHBondContact O-CA 3.34Å; R523-S527 PolarHBondContact O-N 3.46Å; R523-V528 WeakPolarHBondContact O-CG2 2.94Å; R523-V528 PolarHBondContact O-N 2.98Å; R523-V528 VanDerWaalsContact O-N 3.11Å; R523-E534 IonicContact NH1-OE2 2.6Å; R523-E534 PolarHBondContact NH1-OE2 3.36Å |
| 524 | M | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.9 | -15.2 | 175.3 | -63.9 | -60.8 | 99.5 | 0 | 0 | 113.2 | A366 F370 I425 H429 F520 H521 S522 V528 L531 | A366-M524 HydrophobicContact CB-SD 3.94Å; F370-M524 HydrophobicContact CD2-CE 4.21Å; F370-M524 HydrophobicContact CD2-SD 4.49Å; F370-M524 HydrophobicContact CE2-CE 3.42Å; F370-M524 VanDerWaalsContact CE2-CE 3.42Å; F370-M524 HydrophobicContact CE2-SD 3.55Å; F370-M524 VanDerWaalsContact CE2-SD 3.55Å; F370-M524 HydrophobicContact CZ-CE 3.77Å; F370-M524 HydrophobicContact CZ-SD 4.18Å; I425-M524 HydrophobicContact CG2-CB 3.87Å; I425-M524 HydrophobicContact CG2-CG 4.27Å; I425-M524 HydrophobicContact CG2-SD 3.86Å; H429-M524 HydrophobicContact CB-CB 3.82Å; H429-M524 VanDerWaalsContact CG-CB 3.42Å; F520-M524 HydrophobicContact CD2-CE 4.48Å; F520-M524 HydrophobicContact CE1-CG 4.15Å; F520-M524 HydrophobicContact CE2-CE 3.94Å; F520-M524 HydrophobicContact CE2-SD 4.43Å; F520-M524 HydrophobicContact CZ-CE 4.17Å; F520-M524 HydrophobicContact CZ-CG 4.22Å; F520-M524 HydrophobicContact CZ-SD 4.05Å; F520-M524 WeakPolarHBondContact O-CG 3.19Å; F520-M524 PolarHBondContact O-N 3.34Å; H521-M524 VanDerWaalsContact O-CB 3.31Å; H521-M524 WeakPolarHBondContact O-CB 3.26Å; H521-M524 PolarHBondContact O-N 3.43Å; H521-M524 VanDerWaalsContact O-N 3.11Å; S522-M524 PolarHBondContact O-N 3.46Å; M524-V528 HydrophobicContact CE-CG2 4.2Å; M524-V528 WeakPolarHBondContact O-CG2 3.24Å; M524-V528 HydrophobicContact SD-CG2 4.33Å; M524-L531 HydrophobicContact CE-CD2 3.36Å |
| 525 | L | 93.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -91.6 | -50.8 | 175.3 | -61.5 | -172.4 | 0 | 0 | 0 | 113.1 | Q426 H429 L430 L433 L469 F480 F482 S522 R523 | Q426-L525 HydrophobicContact CB-CD2 4.07Å; Q426-L525 HydrophobicContact CG-CD2 4.34Å; Q426-L525 PolarHBondContact NE2-O 3.45Å; Q426-L525 WeakPolarHBondContact O-CD2 3.43Å; H429-L525 HydrophobicContact CB-CD2 4.23Å; L430-L525 HydrophobicContact CB-CD1 4.41Å; L430-L525 HydrophobicContact CB-CD2 4.06Å; L433-L525 HydrophobicContact CD1-CD1 3.56Å; L433-L525 HydrophobicContact CD1-CG 4.19Å; L469-L525 HydrophobicContact CD1-CD1 4.43Å; F480-L525 HydrophobicContact CB-CB 4.3Å; F480-L525 HydrophobicContact CD2-CB 4.36Å; F480-L525 HydrophobicContact CG-CB 4.27Å; F482-L525 HydrophobicContact CD2-CB 4.25Å; F482-L525 HydrophobicContact CE2-CB 3.79Å; F482-L525 HydrophobicContact CE2-CD1 3.48Å; F482-L525 VanDerWaalsContact CE2-CD1 3.48Å; F482-L525 HydrophobicContact CE2-CG 4.22Å; F482-L525 HydrophobicContact CZ-CD1 3.79Å; S522-L525 WeakPolarHBondContact O-CB 3.49Å; S522-L525 PolarHBondContact O-N 3.43Å; R523-L525 PolarHBondContact O-N 2.96Å |
| 526 | D | 94.1 | Very high | 95.7 | Very high | 46 Ų | 46 | 23.4 Ų | 23.4 | 25% | 0.246 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -116.3 | -14 | -167.8 | 75.7 | -18.1 | 0 | 0 | 0 | 115.5 | F480 F482 R486 S522 | F480-D526 HydrophobicContact CB-CB 4.06Å; F480-D526 VanDerWaalsContact O-CB 3.25Å; F480-D526 WeakPolarHBondContact O-CB 3.19Å; F482-D526 HydrophobicContact CD2-CB 4.26Å; F482-D526 PolarHBondContact N-OD2 3.34Å; R486-D526 IonicContact CZ-OD1 3.53Å; R486-D526 IonicContact CZ-OD2 2.89Å; R486-D526 IonicContact NH1-OD1 2.78Å; R486-D526 PolarHBondContact NH1-OD1 3.14Å; R486-D526 IonicContact NH1-OD2 3.25Å; R486-D526 PolarHBondContact NH1-OD2 3.49Å; R486-D526 IonicContact NH2-OD1 3.59Å; R486-D526 PolarHBondContact NH2-OD1 3.38Å; R486-D526 IonicContact NH2-OD2 3.33Å; R486-D526 PolarHBondContact NH2-OD2 2.75Å; S522-D526 PolarHBondContact O-N 2.85Å; S522-D526 VanDerWaalsContact O-OD1 3.1Å |
| 527 | S | 95.5 | Very high | 95.9 | Very high | 11 Ų | 11 | 24.6 Ų | 24.6 | 8% | 0.077 | 12% | 0.119 | C | C | . | . | trans | -132 | 20.7 | -165.7 | -57.6 | 0 | 0 | 0 | 0 | 114.1 | R486 R523 E529 K530 L531 | R486-S527 PolarHBondContact NH2-OG 3.5Å; R486-S527 VanDerWaalsContact NH2-OG 3.1Å; R523-S527 CarbonylContact O-C 3.13Å; R523-S527 VanDerWaalsContact O-C 3.27Å; R523-S527 WeakPolarHBondContact O-CA 3.34Å; R523-S527 PolarHBondContact O-N 3.46Å; S527-E529 VanDerWaalsContact C-N 3.32Å; S527-E529 PolarHBondContact O-N 3.07Å; S527-K530 PolarHBondContact O-N 3.16Å; S527-L531 PolarHBondContact O-N 3.33Å | ||
| 528 | V | 96.1 | Very high | 96 | Very high | 8 Ų | 8 | 23.3 Ų | 23.3 | 5% | 0.048 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | -179.2 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | F370 V418 I422 R523 M524 K530 L531 L532 | F370-V528 HydrophobicContact CZ-CG1 4.2Å; V418-V528 HydrophobicContact CG1-CG1 3.39Å; I422-V528 HydrophobicContact CD1-CB 3.51Å; I422-V528 HydrophobicContact CD1-CG1 3.6Å; I422-V528 HydrophobicContact CD1-CG2 3.51Å; R523-V528 WeakPolarHBondContact O-CG2 2.94Å; R523-V528 PolarHBondContact O-N 2.98Å; R523-V528 VanDerWaalsContact O-N 3.11Å; M524-V528 HydrophobicContact CE-CG2 4.2Å; M524-V528 WeakPolarHBondContact O-CG2 3.24Å; M524-V528 HydrophobicContact SD-CG2 4.33Å; V528-K530 PolarHBondContact O-N 3.06Å; V528-L531 PolarHBondContact O-N 3.02Å; V528-L531 VanDerWaalsContact O-N 3.17Å; V528-L532 HydrophobicContact CG1-CD1 4.37Å; V528-L532 HydrophobicContact CG1-CG 4.39Å; V528-L532 WeakPolarHBondContact O-CG 3.39Å; V528-L532 PolarHBondContact O-N 3.35Å |
| 529 | E | 95.2 | Very high | 96 | Very high | 87 Ų | 87 | 23.9 Ų | 23.9 | 41% | 0.407 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 177.4 | -169.6 | 59.7 | -145.4 | 0 | 0 | 112 | R419 S527 L531 L532 V533 | R419-E529 IonicContact CZ-OE1 2.78Å; R419-E529 IonicContact CZ-OE2 3.27Å; R419-E529 IonicContact NE-OE1 2.89Å; R419-E529 PolarHBondContact NE-OE1 3.11Å; R419-E529 IonicContact NE-OE2 2.79Å; R419-E529 PolarHBondContact NE-OE2 3.47Å; R419-E529 IonicContact NH2-OE1 2.74Å; R419-E529 PolarHBondContact NH2-OE1 2.95Å; R419-E529 IonicContact NH2-OE2 2.93Å; S527-E529 VanDerWaalsContact C-N 3.32Å; S527-E529 PolarHBondContact O-N 3.07Å; E529-L531 VanDerWaalsContact C-N 3.3Å; E529-L531 PolarHBondContact O-N 3.5Å; E529-L532 WeakPolarHBondContact O-CB 3.45Å; E529-L532 PolarHBondContact O-N 3.48Å; E529-V533 WeakPolarHBondContact O-CG2 3.49Å; E529-V533 PolarHBondContact O-N 2.99Å |
| 530 | K | 94.9 | Very high | 95.9 | Very high | 155 Ų | 155 | 24.8 Ų | 24.8 | 67% | 0.674 | 12% | 0.122 | S | C | * | . | H | α-helix | trans | -62.5 | -39.4 | 174.8 | -67.3 | -176.8 | 179 | 179.8 | 0 | 111.4 | S527 V528 V533 E534 | S527-K530 PolarHBondContact O-N 3.16Å; V528-K530 PolarHBondContact O-N 3.06Å; K530-V533 PolarHBondContact O-N 2.83Å; K530-E534 WeakPolarHBondContact O-CB 3.42Å; K530-E534 PolarHBondContact O-N 3.35Å |
| 531 | L | 96.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.9 | -35.3 | 178 | -170.1 | 63.3 | 0 | 0 | 0 | 112.2 | Y250 F370 F520 M524 S527 V528 E529 V533 E534 T535 | Y250-L531 HydrophobicContact CD2-CD1 4.09Å; Y250-L531 HydrophobicContact CE2-CD1 3.6Å; F370-L531 HydrophobicContact CD1-CB 4.43Å; F370-L531 HydrophobicContact CD1-CD2 3.67Å; F370-L531 HydrophobicContact CD1-CG 3.63Å; F370-L531 HydrophobicContact CD2-CD2 3.72Å; F370-L531 HydrophobicContact CE1-CB 4.03Å; F370-L531 HydrophobicContact CE1-CD2 3.66Å; F370-L531 HydrophobicContact CE1-CG 3.7Å; F370-L531 HydrophobicContact CE2-CD2 3.76Å; F370-L531 HydrophobicContact CG-CD2 3.7Å; F370-L531 HydrophobicContact CG-CG 4.11Å; F370-L531 HydrophobicContact CZ-CD2 3.73Å; F370-L531 HydrophobicContact CZ-CG 4.25Å; F520-L531 HydrophobicContact CE2-CD2 4.19Å; M524-L531 HydrophobicContact CE-CD2 3.36Å; S527-L531 PolarHBondContact O-N 3.33Å; V528-L531 PolarHBondContact O-N 3.02Å; V528-L531 VanDerWaalsContact O-N 3.17Å; E529-L531 VanDerWaalsContact C-N 3.3Å; E529-L531 PolarHBondContact O-N 3.5Å; L531-V533 VanDerWaalsContact C-N 3.34Å; L531-E534 HydrophobicContact CD1-CB 4.5Å; L531-E534 PolarHBondContact O-N 3.27Å; L531-T535 HydrophobicContact CD1-CG2 4.05Å; L531-T535 HydrophobicContact CG-CG2 4.33Å; L531-T535 WeakPolarHBondContact O-CB 3.4Å; L531-T535 WeakPolarHBondContact O-CG2 3.13Å; L531-T535 PolarHBondContact O-N 2.89Å; L531-T535 PolarHBondContact O-OG1 3.23Å |
| 532 | L | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.3 | -46.9 | 170.7 | -73.3 | 175.7 | 0 | 0 | 0 | 110.3 | F370 L373 R415 V418 R419 V528 E529 T535 S536 | F370-L532 HydrophobicContact CE1-CD2 3.82Å; F370-L532 HydrophobicContact CE1-CG 4.18Å; L373-L532 HydrophobicContact CD1-CD2 3.57Å; R415-L532 HydrophobicContact CB-CD2 4.5Å; R415-L532 HydrophobicContact CG-CD2 4.13Å; R415-L532 PolarHBondContact NH1-O 3.31Å; V418-L532 HydrophobicContact CB-CD1 4.47Å; V418-L532 HydrophobicContact CB-CD2 4.15Å; V418-L532 HydrophobicContact CG1-CD1 4.02Å; V418-L532 HydrophobicContact CG1-CD2 3.99Å; V418-L532 HydrophobicContact CG1-CG 4.25Å; V418-L532 HydrophobicContact CG2-CD2 4.45Å; R419-L532 HydrophobicContact CG-CD1 3.83Å; V528-L532 HydrophobicContact CG1-CD1 4.37Å; V528-L532 HydrophobicContact CG1-CG 4.39Å; V528-L532 WeakPolarHBondContact O-CG 3.39Å; V528-L532 PolarHBondContact O-N 3.35Å; E529-L532 WeakPolarHBondContact O-CB 3.45Å; E529-L532 PolarHBondContact O-N 3.48Å; L532-T535 PolarHBondContact O-N 3.24Å; L532-S536 PolarHBondContact O-N 3.29Å; L532-S536 PolarHBondContact O-OG 3.12Å |
| 533 | V | 96.9 | Very high | 95.7 | Very high | 36 Ų | 36 | 26 Ų | 26 | 22% | 0.218 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.8 | -49.6 | 174.6 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | E529 K530 L531 T535 S536 D537 H577 | E529-V533 WeakPolarHBondContact O-CG2 3.49Å; E529-V533 PolarHBondContact O-N 2.99Å; K530-V533 PolarHBondContact O-N 2.83Å; L531-V533 VanDerWaalsContact C-N 3.34Å; V533-T535 VanDerWaalsContact C-N 3.28Å; V533-T535 PolarHBondContact O-N 3.02Å; V533-S536 PolarHBondContact O-N 3.24Å; V533-D537 HydrophobicContact CG1-CB 4.09Å; V533-D537 WeakPolarHBondContact O-CB 3.34Å; V533-D537 PolarHBondContact O-N 3.36Å; V533-H577 HydrophobicContact CG1-CB 4.05Å |
| 534 | E | 95.7 | Very high | 95.6 | Very high | 52 Ų | 52 | 24.6 Ų | 24.6 | 24% | 0.243 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.3 | -40.8 | -179.5 | -176.6 | -179.8 | 174.3 | 0 | 0 | 113.2 | R129 R377 R523 K530 L531 | R129-E534 IonicContact CZ-OE1 2.97Å; R129-E534 IonicContact NH1-OE1 2.84Å; R129-E534 PolarHBondContact NH1-OE1 3.22Å; R129-E534 IonicContact NH2-OE1 2.71Å; R129-E534 PolarHBondContact NH2-OE1 3.18Å; R377-E534 PolarHBondContact NH1-O 3.26Å; R377-E534 VanDerWaalsContact NH1-O 3.07Å; R523-E534 IonicContact NH1-OE2 2.6Å; R523-E534 PolarHBondContact NH1-OE2 3.36Å; K530-E534 WeakPolarHBondContact O-CB 3.42Å; K530-E534 PolarHBondContact O-N 3.35Å; L531-E534 HydrophobicContact CD1-CB 4.5Å; L531-E534 PolarHBondContact O-N 3.27Å |
| 535 | T | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -94.1 | -21.5 | -172.5 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | Y250 F370 L373 S374 R377 L531 L532 V533 | Y250-T535 HydrophobicContact CD2-CG2 3.92Å; Y250-T535 HydrophobicContact CG-CG2 4.36Å; F370-T535 HydrophobicContact CB-CG2 4.28Å; F370-T535 HydrophobicContact CD1-CG2 4.37Å; L373-T535 CarbonylContact C-O 3.44Å; L373-T535 VanDerWaalsContact O-O 3.07Å; S374-T535 VanDerWaalsContact CA-O 3.22Å; S374-T535 WeakPolarHBondContact CA-O 3.41Å; S374-T535 PolarHBondContact N-O 3.06Å; R377-T535 WeakPolarHBondContact CB-O 3.46Å; L531-T535 HydrophobicContact CD1-CG2 4.05Å; L531-T535 HydrophobicContact CG-CG2 4.33Å; L531-T535 WeakPolarHBondContact O-CB 3.4Å; L531-T535 WeakPolarHBondContact O-CG2 3.13Å; L531-T535 PolarHBondContact O-N 2.89Å; L531-T535 PolarHBondContact O-OG1 3.23Å; L532-T535 PolarHBondContact O-N 3.24Å; V533-T535 VanDerWaalsContact C-N 3.28Å; V533-T535 PolarHBondContact O-N 3.02Å |
| 536 | S | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -136.7 | 8.7 | -172.1 | 58.1 | 0 | 0 | 0 | 0 | 115.8 | R415 L532 V533 L538 | R415-S536 WeakPolarHBondContact CD-OG 3.49Å; R415-S536 PolarHBondContact NH1-OG 3.02Å; L532-S536 PolarHBondContact O-N 3.29Å; L532-S536 PolarHBondContact O-OG 3.12Å; V533-S536 PolarHBondContact O-N 3.24Å; S536-L538 PolarHBondContact O-N 3.27Å |
| 537 | D | 97.1 | Very high | 95.2 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 17% | 0.166 | 16% | 0.159 | C | C | . | . | trans | -61.7 | 131.1 | 176.3 | -177.2 | 48 | 0 | 0 | 0 | 112 | R377 V533 S539 H574 H577 | R377-D537 VanDerWaalsContact CG-O 3.31Å; R377-D537 WeakPolarHBondContact CG-O 3.41Å; V533-D537 HydrophobicContact CG1-CB 4.09Å; V533-D537 WeakPolarHBondContact O-CB 3.34Å; V533-D537 PolarHBondContact O-N 3.36Å; D537-S539 WeakPolarHBondContact OD1-CB 3.43Å; D537-S539 PolarHBondContact OD1-N 2.69Å; D537-S539 VanDerWaalsContact OD2-CB 3.27Å; D537-S539 WeakPolarHBondContact OD2-CB 3.46Å; D537-S539 PolarHBondContact OD2-OG 3.16Å; D537-H574 WeakPolarHBondContact OD1-CB 3.29Å; D537-H577 IonicContact OD1-CG 2.75Å; D537-H577 IonicContact OD1-ND1 3.83Å; D537-H577 PolarHBondContact OD1-ND1 2.93Å | ||
| 538 | L | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -124.5 | 23.1 | 179.3 | -67.5 | 177.9 | 0 | 0 | 0 | 111.3 | R377 V380 T381 L408 L411 S536 T540 F541 I571 H574 | R377-L538 HydrophobicContact CG-CD2 4.12Å; V380-L538 HydrophobicContact CB-CD2 4.12Å; V380-L538 HydrophobicContact CG1-CD1 4.43Å; V380-L538 HydrophobicContact CG1-CD2 3.75Å; T381-L538 HydrophobicContact CG2-CD2 4.35Å; L408-L538 HydrophobicContact CD2-CD1 3.69Å; L411-L538 HydrophobicContact CD1-CD1 4Å; L411-L538 HydrophobicContact CD1-CG 4.41Å; L411-L538 HydrophobicContact CD2-CD1 4.1Å; S536-L538 PolarHBondContact O-N 3.27Å; L538-T540 PolarHBondContact O-N 2.84Å; L538-F541 HydrophobicContact CB-CD2 4.03Å; L538-F541 HydrophobicContact CB-CE2 4.29Å; L538-F541 HydrophobicContact CD1-CE2 4.28Å; L538-F541 HydrophobicContact CD2-CE2 4.5Å; L538-F541 WeakPolarHBondContact O-CD2 3.39Å; L538-F541 PolarHBondContact O-N 3.36Å; L538-F541 VanDerWaalsContact O-N 3.07Å; L538-I571 HydrophobicContact CB-CG2 4.15Å; L538-I571 HydrophobicContact CD1-CD1 3.97Å; L538-I571 HydrophobicContact CD1-CG1 4.31Å; L538-H574 PolarHBondContact N-ND1 3.44Å | ||
| 539 | S | 95.6 | Very high | 95.2 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 8% | 0.077 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -55.3 | -17.2 | 174.3 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | D537 F541 C542 H574 | D537-S539 WeakPolarHBondContact OD1-CB 3.43Å; D537-S539 PolarHBondContact OD1-N 2.69Å; D537-S539 VanDerWaalsContact OD2-CB 3.27Å; D537-S539 WeakPolarHBondContact OD2-CB 3.46Å; D537-S539 PolarHBondContact OD2-OG 3.16Å; S539-F541 PolarHBondContact O-N 2.85Å; S539-F541 VanDerWaalsContact O-N 3.16Å; S539-C542 WeakPolarHBondContact O-CB 3.26Å; S539-C542 PolarHBondContact O-N 3.19Å; S539-H574 VanDerWaalsContact CB-O 3.3Å; S539-H574 WeakPolarHBondContact CB-O 3.32Å |
| 540 | T | 93.6 | Very high | 95.1 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 17% | 0.172 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -51.1 | -34 | 170.9 | -168.6 | 0 | 0 | 0 | 0 | 113 | T381 L538 C542 F543 H544 | T381-T540 HydrophobicContact CG2-CG2 4.08Å; L538-T540 PolarHBondContact O-N 2.84Å; T540-C542 PolarHBondContact O-N 2.89Å; T540-C542 VanDerWaalsContact O-N 3.14Å; T540-F543 PolarHBondContact O-N 3.05Å; T540-H544 PolarHBondContact O-CD2 3.44Å; T540-H544 VanDerWaalsContact O-CD2 3.23Å; T540-H544 PolarHBondContact O-N 3.38Å; T540-H544 PolarHBondContact OG1-CD2 3.25Å |
| 541 | F | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -62.1 | -23.1 | 178.8 | -78.8 | -64.1 | 0 | 0 | 0 | 113.1 | V380 V384 L408 L538 S539 F543 H544 L545 F548 M551 I571 F575 | V380-F541 HydrophobicContact CG1-CE2 3.78Å; V380-F541 HydrophobicContact CG1-CZ 3.73Å; V384-F541 HydrophobicContact CG2-CD1 4.17Å; V384-F541 HydrophobicContact CG2-CE1 3.36Å; V384-F541 HydrophobicContact CG2-CZ 3.64Å; L408-F541 HydrophobicContact CD2-CE2 4.2Å; L538-F541 HydrophobicContact CB-CD2 4.03Å; L538-F541 HydrophobicContact CB-CE2 4.29Å; L538-F541 HydrophobicContact CD1-CE2 4.28Å; L538-F541 HydrophobicContact CD2-CE2 4.5Å; L538-F541 WeakPolarHBondContact O-CD2 3.39Å; L538-F541 PolarHBondContact O-N 3.36Å; L538-F541 VanDerWaalsContact O-N 3.07Å; S539-F541 PolarHBondContact O-N 2.85Å; S539-F541 VanDerWaalsContact O-N 3.16Å; F541-F543 PolarHBondContact O-N 2.78Å; F541-F543 VanDerWaalsContact O-N 3.16Å; F541-H544 CarbonylContact O-C 3.58Å; F541-H544 PolarHBondContact O-N 3.09Å; F541-H544 VanDerWaalsContact O-N 3.11Å; F541-L545 WeakPolarHBondContact O-CG 3.48Å; F541-L545 PolarHBondContact O-N 3.43Å; F541-F548 HydrophobicContact CB-CB 4.43Å; F541-F548 HydrophobicContact CB-CD1 4.1Å; F541-F548 HydrophobicContact CB-CD2 4.28Å; F541-F548 HydrophobicContact CB-CE1 4.4Å; F541-F548 HydrophobicContact CB-CG 4.04Å; F541-F548 HydrophobicContact CD1-CB 3.74Å; F541-F548 AromaticContact CD1-CD2 3.53Å; F541-F548 HydrophobicContact CD1-CD2 3.53Å; F541-F548 HydrophobicContact CD1-CE2 4.28Å; F541-F548 AromaticContact CD1-CG 3.74Å; F541-F548 HydrophobicContact CD1-CG 3.74Å; F541-F548 HydrophobicContact CD2-CD2 4.21Å; F541-F548 HydrophobicContact CD2-CE2 4.15Å; F541-F548 HydrophobicContact CE1-CB 4.37Å; F541-F548 AromaticContact CE1-CD2 3.74Å; F541-F548 HydrophobicContact CE1-CD2 3.74Å; F541-F548 HydrophobicContact CE1-CE2 4.45Å; F541-F548 HydrophobicContact CE1-CG 4.35Å; F541-F548 HydrophobicContact CE2-CD2 4.42Å; F541-F548 HydrophobicContact CE2-CE2 4.35Å; F541-F548 HydrophobicContact CG-CB 4.38Å; F541-F548 HydrophobicContact CG-CD1 4.47Å; F541-F548 AromaticContact CG-CD2 3.77Å; F541-F548 HydrophobicContact CG-CD2 3.77Å; F541-F548 HydrophobicContact CG-CE2 4.11Å; F541-F548 AromaticContact CG-CG 3.98Å; F541-F548 HydrophobicContact CG-CG 3.98Å; F541-F548 HydrophobicContact CZ-CD2 4.19Å; F541-F548 HydrophobicContact CZ-CE2 4.49Å; F541-M551 HydrophobicContact CE1-SD 3.97Å; F541-M551 HydrophobicContact CZ-SD 4.26Å; F541-I571 HydrophobicContact CD2-CG2 3.88Å; F541-F575 HydrophobicContact CB-CE1 3.9Å; F541-F575 HydrophobicContact CB-CZ 4.09Å |
| 542 | C | 94.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.034 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -58.5 | -27.4 | 173.6 | -164.7 | 0 | 0 | 0 | 0 | 112.5 | S539 T540 L545 F575 | S539-C542 WeakPolarHBondContact O-CB 3.26Å; S539-C542 PolarHBondContact O-N 3.19Å; T540-C542 PolarHBondContact O-N 2.89Å; T540-C542 VanDerWaalsContact O-N 3.14Å; C542-L545 VanDerWaalsContact O-CD1 3.26Å; C542-L545 WeakPolarHBondContact O-CD1 3.25Å; C542-F575 HydrophobicContact CB-CB 4.31Å; C542-F575 HydrophobicContact CB-CD1 3.85Å; C542-F575 HydrophobicContact CB-CD2 3.65Å; C542-F575 HydrophobicContact CB-CE1 4.02Å; C542-F575 HydrophobicContact CB-CE2 3.83Å; C542-F575 HydrophobicContact CB-CG 3.66Å; C542-F575 HydrophobicContact CB-CZ 4.01Å; C542-F575 VanDerWaalsContact SG-CD2 3.51Å |
| 543 | F | 93.4 | Very high | 95.1 | Very high | 33 Ų | 33 | 35.8 Ų | 35.8 | 15% | 0.145 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -12.3 | -179.9 | -50.2 | -75.8 | 0 | 0 | 0 | 112.8 | R295 E296 T540 F541 C578 L590 | R295-F543 HydrophobicContact CB-CB 4.29Å; R295-F543 HydrophobicContact CB-CD1 4.25Å; R295-F543 HydrophobicContact CB-CD2 3.85Å; R295-F543 HydrophobicContact CB-CE2 4.28Å; R295-F543 HydrophobicContact CB-CG 3.84Å; R295-F543 VanDerWaalsContact CD-CE1 3.47Å; R295-F543 VanDerWaalsContact CD-CZ 3.43Å; R295-F543 HydrophobicContact CG-CD1 4.21Å; R295-F543 HydrophobicContact CG-CD2 3.68Å; R295-F543 HydrophobicContact CG-CE1 4.13Å; R295-F543 HydrophobicContact CG-CE2 3.58Å; R295-F543 HydrophobicContact CG-CG 4.01Å; R295-F543 HydrophobicContact CG-CZ 3.82Å; R295-F543 VanDerWaalsContact CZ-CZ 3.5Å; E296-F543 WeakPolarHBondContact OE2-CB 3.27Å; T540-F543 PolarHBondContact O-N 3.05Å; F541-F543 PolarHBondContact O-N 2.78Å; F541-F543 VanDerWaalsContact O-N 3.16Å; F543-C578 HydrophobicContact CE2-CB 3.9Å; F543-C578 HydrophobicContact CZ-CB 4.16Å; F543-L590 HydrophobicContact CE1-CD2 4.15Å; F543-L590 HydrophobicContact CZ-CD2 4.27Å |
| 544 | H | 93.6 | Very high | 95 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 3% | 0.032 | 18% | 0.175 | C | C | . | . | trans | -117.9 | 38.2 | -179.3 | -61.4 | -73.3 | 0 | 0 | 0 | 112.8 | E296 V384 E388 T540 F541 R546 I547 F548 | E296-H544 WeakPolarHBondContact CB-CE1 3.18Å; V384-H544 HydrophobicContact CG1-CB 3.56Å; V384-H544 VanDerWaalsContact CG1-CD2 3.45Å; V384-H544 WeakPolarHBondContact CG1-CD2 3.29Å; V384-H544 VanDerWaalsContact CG1-CG 3.42Å; E388-H544 IonicContact OE2-CE1 2.74Å; E388-H544 PolarHBondContact OE2-CE1 2.98Å; E388-H544 IonicContact OE2-CG 3.46Å; E388-H544 IonicContact OE2-ND1 3.12Å; E388-H544 PolarHBondContact OE2-ND1 3.28Å; T540-H544 PolarHBondContact O-CD2 3.44Å; T540-H544 VanDerWaalsContact O-CD2 3.23Å; T540-H544 PolarHBondContact O-N 3.38Å; T540-H544 PolarHBondContact OG1-CD2 3.25Å; F541-H544 CarbonylContact O-C 3.58Å; F541-H544 PolarHBondContact O-N 3.09Å; F541-H544 VanDerWaalsContact O-N 3.11Å; H544-R546 PolarHBondContact O-N 3.3Å; H544-I547 WeakPolarHBondContact O-CB 3.39Å; H544-I547 PolarHBondContact O-N 3.17Å; H544-F548 PolarHBondContact O-N 3.08Å; H544-F548 VanDerWaalsContact O-N 3.1Å | ||
| 545 | L | 90.2 | Very high | 95 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 9% | 0.089 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.4 | -36.1 | -168.4 | -74.8 | 158.1 | 0 | 0 | 0 | 115.1 | F541 C542 I547 F548 E549 F575 H593 H597 | F541-L545 WeakPolarHBondContact O-CG 3.48Å; F541-L545 PolarHBondContact O-N 3.43Å; C542-L545 VanDerWaalsContact O-CD1 3.26Å; C542-L545 WeakPolarHBondContact O-CD1 3.25Å; L545-I547 PolarHBondContact O-N 3.25Å; L545-F548 HydrophobicContact CD2-CD1 4.27Å; L545-F548 CarbonylContact O-C 3.56Å; L545-F548 WeakPolarHBondContact O-CA 3.49Å; L545-F548 WeakPolarHBondContact O-CB 3.42Å; L545-F548 PolarHBondContact O-N 3.18Å; L545-E549 WeakPolarHBondContact O-CB 3.5Å; L545-E549 WeakPolarHBondContact O-CG 3.39Å; L545-E549 PolarHBondContact O-N 3.33Å; L545-F575 HydrophobicContact CD2-CE2 4.12Å; L545-F575 HydrophobicContact CD2-CZ 4.21Å; L545-H593 WeakPolarHBondContact CD1-CE1 3.37Å; L545-H593 VanDerWaalsContact CD1-ND1 3.34Å; L545-H593 WeakPolarHBondContact CD1-ND1 3.24Å; L545-H597 WeakPolarHBondContact CD1-NE2 3.47Å; L545-H597 HydrophobicContact CD2-CB 4.45Å |
| 546 | R | 92.4 | Very high | 94.9 | Very high | 221 Ų | 221 | 35.6 Ų | 35.6 | 83% | 0.834 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -59.4 | -35.3 | 176.3 | -66.4 | -179.1 | -179.3 | 172.1 | 0.8 | 112.1 | H544 K550 | H544-R546 PolarHBondContact O-N 3.3Å; R546-K550 VanDerWaalsContact O-CB 3.29Å; R546-K550 WeakPolarHBondContact O-CB 3.02Å; R546-K550 PolarHBondContact O-N 3.26Å; R546-K550 VanDerWaalsContact O-N 3.15Å |
| 547 | I | 93 | Very high | 94.6 | Very high | 22 Ų | 22 | 43 Ų | 43 | 11% | 0.113 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.5 | -40.6 | 176.2 | -63.7 | 174.1 | 0 | 0 | 0 | 109.3 | E388 H544 L545 K550 M551 | E388-I547 HydrophobicContact CB-CD1 3.59Å; E388-I547 HydrophobicContact CG-CD1 4.06Å; H544-I547 WeakPolarHBondContact O-CB 3.39Å; H544-I547 PolarHBondContact O-N 3.17Å; L545-I547 PolarHBondContact O-N 3.25Å; I547-K550 PolarHBondContact O-N 3.32Å; I547-M551 HydrophobicContact CG2-CE 3.59Å; I547-M551 HydrophobicContact CG2-CG 4.42Å; I547-M551 HydrophobicContact CG2-SD 4.1Å; I547-M551 WeakPolarHBondContact O-CB 3.48Å; I547-M551 VanDerWaalsContact O-CG 3.29Å; I547-M551 WeakPolarHBondContact O-CG 3.47Å; I547-M551 PolarHBondContact O-N 3.15Å |
| 548 | F | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.4 | -48.3 | 178.4 | -162.9 | -144.6 | 0 | 0 | 0 | 112.6 | L408 F541 H544 L545 K550 M551 F552 F568 I571 F575 F601 | L408-F548 HydrophobicContact CD1-CE2 4.47Å; F541-F548 HydrophobicContact CB-CB 4.43Å; F541-F548 HydrophobicContact CB-CD1 4.1Å; F541-F548 HydrophobicContact CB-CD2 4.28Å; F541-F548 HydrophobicContact CB-CE1 4.4Å; F541-F548 HydrophobicContact CB-CG 4.04Å; F541-F548 HydrophobicContact CD1-CB 3.74Å; F541-F548 AromaticContact CD1-CD2 3.53Å; F541-F548 HydrophobicContact CD1-CD2 3.53Å; F541-F548 HydrophobicContact CD1-CE2 4.28Å; F541-F548 AromaticContact CD1-CG 3.74Å; F541-F548 HydrophobicContact CD1-CG 3.74Å; F541-F548 HydrophobicContact CD2-CD2 4.21Å; F541-F548 HydrophobicContact CD2-CE2 4.15Å; F541-F548 HydrophobicContact CE1-CB 4.37Å; F541-F548 AromaticContact CE1-CD2 3.74Å; F541-F548 HydrophobicContact CE1-CD2 3.74Å; F541-F548 HydrophobicContact CE1-CE2 4.45Å; F541-F548 HydrophobicContact CE1-CG 4.35Å; F541-F548 HydrophobicContact CE2-CD2 4.42Å; F541-F548 HydrophobicContact CE2-CE2 4.35Å; F541-F548 HydrophobicContact CG-CB 4.38Å; F541-F548 HydrophobicContact CG-CD1 4.47Å; F541-F548 AromaticContact CG-CD2 3.77Å; F541-F548 HydrophobicContact CG-CD2 3.77Å; F541-F548 HydrophobicContact CG-CE2 4.11Å; F541-F548 AromaticContact CG-CG 3.98Å; F541-F548 HydrophobicContact CG-CG 3.98Å; F541-F548 HydrophobicContact CZ-CD2 4.19Å; F541-F548 HydrophobicContact CZ-CE2 4.49Å; H544-F548 PolarHBondContact O-N 3.08Å; H544-F548 VanDerWaalsContact O-N 3.1Å; L545-F548 HydrophobicContact CD2-CD1 4.27Å; L545-F548 CarbonylContact O-C 3.56Å; L545-F548 WeakPolarHBondContact O-CA 3.49Å; L545-F548 WeakPolarHBondContact O-CB 3.42Å; L545-F548 PolarHBondContact O-N 3.18Å; F548-K550 VanDerWaalsContact C-N 3.33Å; F548-K550 PolarHBondContact O-N 3.29Å; F548-M551 PolarHBondContact O-N 3Å; F548-F552 PolarHBondContact O-N 3.39Å; F548-F568 AromaticContact CD2-CD1 3.66Å; F548-F568 HydrophobicContact CD2-CD1 3.66Å; F548-F568 AromaticContact CD2-CE1 3.91Å; F548-F568 HydrophobicContact CD2-CE1 3.91Å; F548-F568 HydrophobicContact CE2-CB 4.37Å; F548-F568 AromaticContact CE2-CD1 3.23Å; F548-F568 HydrophobicContact CE2-CD1 3.23Å; F548-F568 AromaticContact CE2-CE1 3.78Å; F548-F568 HydrophobicContact CE2-CE1 3.78Å; F548-F568 HydrophobicContact CE2-CG 4.11Å; F548-F568 HydrophobicContact CG-CD1 4.47Å; F548-F568 HydrophobicContact CZ-CB 4.06Å; F548-F568 AromaticContact CZ-CD1 3.75Å; F548-F568 HydrophobicContact CZ-CD1 3.75Å; F548-F568 HydrophobicContact CZ-CG 4.31Å; F548-F568 WeakPolarHBondContact CZ-O 3.31Å; F548-I571 HydrophobicContact CE1-CG2 4.39Å; F548-I571 HydrophobicContact CE2-CD1 4.42Å; F548-I571 HydrophobicContact CE2-CG2 4.34Å; F548-I571 HydrophobicContact CZ-CB 3.94Å; F548-I571 HydrophobicContact CZ-CD1 4.5Å; F548-I571 HydrophobicContact CZ-CG2 3.78Å; F548-F575 HydrophobicContact CD1-CZ 4.46Å; F548-F575 HydrophobicContact CE1-CZ 4.26Å; F548-F601 AromaticContact CD1-CE2 3.77Å; F548-F601 HydrophobicContact CD1-CE2 3.77Å; F548-F601 AromaticContact CD1-CZ 3.75Å; F548-F601 HydrophobicContact CD1-CZ 3.75Å; F548-F601 AromaticContact CE1-CE2 3.48Å; F548-F601 HydrophobicContact CE1-CE2 3.48Å; F548-F601 VanDerWaalsContact CE1-CE2 3.48Å; F548-F601 AromaticContact CE1-CZ 3.93Å; F548-F601 HydrophobicContact CE1-CZ 3.93Å; F548-F601 HydrophobicContact CG-CZ 4.4Å; F548-F601 HydrophobicContact CZ-CE2 4.25Å |
| 549 | E | 95.4 | Very high | 94.1 | Very high | 84 Ų | 84 | 47.4 Ų | 47.4 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.8 | -41.2 | 173.4 | -70.8 | 170.1 | 176 | 0 | 0 | 111.7 | L545 F552 A553 H597 F601 | L545-E549 WeakPolarHBondContact O-CB 3.5Å; L545-E549 WeakPolarHBondContact O-CG 3.39Å; L545-E549 PolarHBondContact O-N 3.33Å; E549-F552 WeakPolarHBondContact O-CB 3.29Å; E549-F552 PolarHBondContact O-N 3.15Å; E549-A553 WeakPolarHBondContact O-CB 3.5Å; E549-A553 PolarHBondContact O-N 3.22Å; E549-H597 IonicContact OE1-CE1 3.64Å; E549-H597 PolarHBondContact OE1-CE1 3.2Å; E549-H597 IonicContact OE1-ND1 2.8Å; E549-H597 PolarHBondContact OE1-ND1 3.18Å; E549-F601 HydrophobicContact CG-CE1 4.39Å; E549-F601 HydrophobicContact CG-CZ 4.47Å |
| 550 | K | 94.4 | Very high | 93.9 | Very high | 130 Ų | 130 | 50.1 Ų | 50.1 | 57% | 0.565 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64 | -43.5 | 176.1 | -176.4 | -176.6 | 176.8 | -172.9 | 0 | 111.8 | R546 I547 F548 F552 A553 M554 | R546-K550 VanDerWaalsContact O-CB 3.29Å; R546-K550 WeakPolarHBondContact O-CB 3.02Å; R546-K550 PolarHBondContact O-N 3.26Å; R546-K550 VanDerWaalsContact O-N 3.15Å; I547-K550 PolarHBondContact O-N 3.32Å; F548-K550 VanDerWaalsContact C-N 3.33Å; F548-K550 PolarHBondContact O-N 3.29Å; K550-F552 VanDerWaalsContact C-N 3.29Å; K550-F552 PolarHBondContact O-N 2.86Å; K550-A553 PolarHBondContact O-N 3.14Å; K550-M554 HydrophobicContact CG-SD 4.28Å; K550-M554 WeakPolarHBondContact O-CG 3.48Å; K550-M554 PolarHBondContact O-N 3.28Å |
| 551 | M | 95.8 | Very high | 94 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -39.4 | 175.7 | -73.7 | 174.1 | 175.4 | 0 | 0 | 111.1 | L383 V384 I404 F541 I547 F548 T555 F568 | L383-M551 HydrophobicContact CD2-CE 4Å; L383-M551 HydrophobicContact CG-CE 4.29Å; V384-M551 HydrophobicContact CG2-CE 4.34Å; I404-M551 HydrophobicContact CG1-SD 4.27Å; I404-M551 HydrophobicContact CG2-CB 4.02Å; I404-M551 HydrophobicContact CG2-CG 4.03Å; I404-M551 HydrophobicContact CG2-SD 4.18Å; F541-M551 HydrophobicContact CE1-SD 3.97Å; F541-M551 HydrophobicContact CZ-SD 4.26Å; I547-M551 HydrophobicContact CG2-CE 3.59Å; I547-M551 HydrophobicContact CG2-CG 4.42Å; I547-M551 HydrophobicContact CG2-SD 4.1Å; I547-M551 WeakPolarHBondContact O-CB 3.48Å; I547-M551 VanDerWaalsContact O-CG 3.29Å; I547-M551 WeakPolarHBondContact O-CG 3.47Å; I547-M551 PolarHBondContact O-N 3.15Å; F548-M551 PolarHBondContact O-N 3Å; M551-T555 PolarHBondContact O-N 3.27Å; M551-T555 PolarHBondContact O-OG1 3.31Å; M551-F568 HydrophobicContact CB-CE1 3.79Å; M551-F568 HydrophobicContact CB-CZ 4.08Å |
| 552 | F | 97.2 | Very high | 94 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 5% | 0.053 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.9 | -50.5 | 174.5 | 179.2 | -114.1 | 0 | 0 | 0 | 111.4 | F548 E549 K550 M554 T555 L556 A565 F568 F601 E604 L605 | F548-F552 PolarHBondContact O-N 3.39Å; E549-F552 WeakPolarHBondContact O-CB 3.29Å; E549-F552 PolarHBondContact O-N 3.15Å; K550-F552 VanDerWaalsContact C-N 3.29Å; K550-F552 PolarHBondContact O-N 2.86Å; F552-M554 VanDerWaalsContact C-N 3.33Å; F552-M554 PolarHBondContact O-N 3.03Å; F552-T555 WeakPolarHBondContact O-CA 3.46Å; F552-T555 VanDerWaalsContact O-CB 3.22Å; F552-T555 WeakPolarHBondContact O-CB 3.4Å; F552-T555 PolarHBondContact O-N 3.04Å; F552-L556 HydrophobicContact CD1-CD1 4.01Å; F552-L556 HydrophobicContact CE1-CD1 3.53Å; F552-L556 HydrophobicContact CE1-CG 4.34Å; F552-L556 HydrophobicContact CE2-CD1 4.29Å; F552-L556 HydrophobicContact CE2-CD2 4.04Å; F552-L556 HydrophobicContact CE2-CG 4.32Å; F552-L556 HydrophobicContact CZ-CD1 3.67Å; F552-L556 HydrophobicContact CZ-CD2 4.08Å; F552-L556 HydrophobicContact CZ-CG 4.19Å; F552-L556 WeakPolarHBondContact O-CG 3.45Å; F552-L556 PolarHBondContact O-N 3.03Å; F552-A565 HydrophobicContact CE2-CB 4.44Å; F552-F568 HydrophobicContact CB-CD1 3.67Å; F552-F568 HydrophobicContact CB-CE1 3.74Å; F552-F568 HydrophobicContact CB-CG 4.1Å; F552-F568 HydrophobicContact CB-CZ 4.19Å; F552-F568 HydrophobicContact CD2-CB 3.94Å; F552-F568 HydrophobicContact CD2-CD1 4.14Å; F552-F568 AromaticContact CD2-CD2 3.69Å; F552-F568 HydrophobicContact CD2-CD2 3.69Å; F552-F568 HydrophobicContact CD2-CE2 4.19Å; F552-F568 AromaticContact CD2-CG 3.66Å; F552-F568 HydrophobicContact CD2-CG 3.66Å; F552-F568 HydrophobicContact CE2-CB 4.49Å; F552-F568 HydrophobicContact CE2-CD2 4.49Å; F552-F568 HydrophobicContact CG-CD1 4.34Å; F552-F568 HydrophobicContact CG-CG 4.29Å; F552-F568 VanDerWaalsContact N-CE1 3.31Å; F552-F601 HydrophobicContact CB-CD1 4.29Å; F552-F601 HydrophobicContact CB-CE1 3.88Å; F552-F601 AromaticContact CD1-CD1 3.38Å; F552-F601 HydrophobicContact CD1-CD1 3.38Å; F552-F601 AromaticContact CD1-CE1 3.66Å; F552-F601 HydrophobicContact CD1-CE1 3.66Å; F552-F601 HydrophobicContact CD2-CD1 4.1Å; F552-F601 HydrophobicContact CE1-CB 4.45Å; F552-F601 AromaticContact CE1-CD1 3.53Å; F552-F601 HydrophobicContact CE1-CD1 3.53Å; F552-F601 HydrophobicContact CE1-CE1 4.26Å; F552-F601 HydrophobicContact CE1-CG 4.41Å; F552-F601 HydrophobicContact CE2-CB 4.41Å; F552-F601 HydrophobicContact CE2-CD1 4.24Å; F552-F601 AromaticContact CG-CD1 3.67Å; F552-F601 HydrophobicContact CG-CD1 3.67Å; F552-F601 AromaticContact CG-CE1 3.77Å; F552-F601 HydrophobicContact CG-CE1 3.77Å; F552-F601 HydrophobicContact CZ-CB 4.15Å; F552-F601 AromaticContact CZ-CD1 3.97Å; F552-F601 HydrophobicContact CZ-CD1 3.97Å; F552-F601 HydrophobicContact CZ-CG 4.46Å; F552-E604 HydrophobicContact CE1-CB 4.08Å; F552-E604 HydrophobicContact CE1-CG 4.12Å; F552-E604 HydrophobicContact CZ-CB 4.4Å; F552-L605 HydrophobicContact CE2-CD1 4.46Å; F552-L605 HydrophobicContact CE2-CD2 4.04Å; F552-L605 HydrophobicContact CE2-CG 4.1Å; F552-L605 HydrophobicContact CZ-CD2 4.11Å; F552-L605 HydrophobicContact CZ-CG 3.94Å |
| 553 | A | 95.7 | Very high | 94 | Very high | 46 Ų | 46 | 54.1 Ų | 54.1 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.8 | -44.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | E549 K550 T555 L556 E557 | E549-A553 WeakPolarHBondContact O-CB 3.5Å; E549-A553 PolarHBondContact O-N 3.22Å; K550-A553 PolarHBondContact O-N 3.14Å; A553-T555 VanDerWaalsContact C-N 3.26Å; A553-T555 PolarHBondContact O-N 3.46Å; A553-L556 PolarHBondContact O-N 3.18Å; A553-L556 VanDerWaalsContact O-N 3.16Å; A553-E557 PolarHBondContact O-N 2.84Å |
| 554 | M | 94 | Very high | 94.2 | Very high | 60 Ų | 60 | 53.2 Ų | 53.2 | 30% | 0.296 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.6 | -32.3 | 174.8 | -71.1 | 175.7 | 62 | 0 | 0 | 112.8 | K550 F552 L556 E557 | K550-M554 HydrophobicContact CG-SD 4.28Å; K550-M554 WeakPolarHBondContact O-CG 3.48Å; K550-M554 PolarHBondContact O-N 3.28Å; F552-M554 VanDerWaalsContact C-N 3.33Å; F552-M554 PolarHBondContact O-N 3.03Å; M554-L556 VanDerWaalsContact C-N 3.34Å; M554-E557 PolarHBondContact O-N 2.78Å |
| 555 | T | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.3 | -37.6 | 176 | -58.9 | 0 | 0 | 0 | 0 | 111 | A405 M551 F552 A553 E557 E558 M561 A565 F568 | A405-T555 HydrophobicContact CB-CG2 3.57Å; M551-T555 PolarHBondContact O-N 3.27Å; M551-T555 PolarHBondContact O-OG1 3.31Å; F552-T555 WeakPolarHBondContact O-CA 3.46Å; F552-T555 VanDerWaalsContact O-CB 3.22Å; F552-T555 WeakPolarHBondContact O-CB 3.4Å; F552-T555 PolarHBondContact O-N 3.04Å; A553-T555 VanDerWaalsContact C-N 3.26Å; A553-T555 PolarHBondContact O-N 3.46Å; T555-E557 VanDerWaalsContact C-N 3.28Å; T555-E557 PolarHBondContact O-N 2.74Å; T555-E558 PolarHBondContact O-N 3.27Å; T555-M561 HydrophobicContact CG2-CB 3.94Å; T555-A565 HydrophobicContact CG2-CB 4Å; T555-F568 HydrophobicContact CG2-CE2 4.14Å; T555-F568 WeakPolarHBondContact OG1-CZ 3.44Å |
| 556 | L | 94.4 | Very high | 94.7 | Very high | 23 Ų | 23 | 52 Ų | 52 | 12% | 0.12 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.7 | -21.6 | 179.9 | -60.4 | -179.6 | 0 | 0 | 0 | 113.6 | F552 A553 M554 L562 A565 E604 L605 | F552-L556 HydrophobicContact CD1-CD1 4.01Å; F552-L556 HydrophobicContact CE1-CD1 3.53Å; F552-L556 HydrophobicContact CE1-CG 4.34Å; F552-L556 HydrophobicContact CE2-CD1 4.29Å; F552-L556 HydrophobicContact CE2-CD2 4.04Å; F552-L556 HydrophobicContact CE2-CG 4.32Å; F552-L556 HydrophobicContact CZ-CD1 3.67Å; F552-L556 HydrophobicContact CZ-CD2 4.08Å; F552-L556 HydrophobicContact CZ-CG 4.19Å; F552-L556 WeakPolarHBondContact O-CG 3.45Å; F552-L556 PolarHBondContact O-N 3.03Å; A553-L556 PolarHBondContact O-N 3.18Å; A553-L556 VanDerWaalsContact O-N 3.16Å; M554-L556 VanDerWaalsContact C-N 3.34Å; L556-L562 HydrophobicContact CD2-CD2 4.09Å; L556-A565 HydrophobicContact CD2-CB 4.34Å; L556-E604 HydrophobicContact CD1-CG 3.77Å; L556-L605 HydrophobicContact CD2-CD2 3.75Å |
| 557 | E | 92.2 | Very high | 95 | Very high | 156 Ų | 156 | 41.5 Ų | 41.5 | 73% | 0.729 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -78.1 | -21.1 | 176.9 | -68.9 | 175.8 | -178.3 | 0 | 0 | 113 | A553 M554 T555 | A553-E557 PolarHBondContact O-N 2.84Å; M554-E557 PolarHBondContact O-N 2.78Å; T555-E557 VanDerWaalsContact C-N 3.28Å; T555-E557 PolarHBondContact O-N 2.74Å |
| 558 | E | 92.9 | Very high | 95.2 | Very high | 85 Ų | 85 | 40.5 Ų | 40.5 | 40% | 0.397 | 20% | 0.2 | S | C | . | . | trans | -110.1 | 109.5 | -173.2 | 179.9 | 58.2 | -132.1 | 0 | 0 | 111.6 | T555 T560 M561 L562 | T555-E558 PolarHBondContact O-N 3.27Å; E558-T560 VanDerWaalsContact C-N 3.28Å; E558-T560 PolarHBondContact O-N 2.79Å; E558-T560 VanDerWaalsContact O-N 3.13Å; E558-T560 PolarHBondContact OE1-OG1 3.48Å; E558-M561 HydrophobicContact CB-CB 4.23Å; E558-M561 HydrophobicContact CB-CG 4.11Å; E558-M561 HydrophobicContact CG-CB 4.23Å; E558-M561 HydrophobicContact CG-CG 3.69Å; E558-M561 PolarHBondContact O-N 3.22Å; E558-L562 PolarHBondContact O-N 2.91Å | ||
| 559 | P | 91.6 | Very high | 95.3 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 25% | 0.247 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -51.6 | -41.3 | -175.7 | -32.7 | 38.3 | 0 | 0 | 0 | 115 | M561 L562 L681 N682 | P559-M561 PolarHBondContact O-N 2.73Å; P559-L562 WeakPolarHBondContact O-CB 3.29Å; P559-L562 PolarHBondContact O-N 3.32Å; P559-L681 HydrophobicContact CB-CD2 4.38Å; P559-N682 VanDerWaalsContact CB-OD1 3.29Å; P559-N682 WeakPolarHBondContact CB-OD1 3.2Å; P559-N682 WeakPolarHBondContact CG-OD1 3.48Å |
| 560 | T | 91 | Very high | 95.4 | Very high | 69 Ų | 69 | 37.2 Ų | 37.2 | 42% | 0.423 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -69.5 | -18 | -177.4 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | E558 | E558-T560 VanDerWaalsContact C-N 3.28Å; E558-T560 PolarHBondContact O-N 2.79Å; E558-T560 VanDerWaalsContact O-N 3.13Å; E558-T560 PolarHBondContact OE1-OG1 3.48Å |
| 561 | M | 95.2 | Very high | 95.6 | Very high | 17 Ų | 17 | 31 Ų | 31 | 8% | 0.084 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -96.9 | -15.8 | 179.7 | -61.8 | -64.5 | 144.7 | 0 | 0 | 112.7 | S403 T555 E558 P559 R563 Y564 | S403-M561 VanDerWaalsContact OG-CE 3.23Å; S403-M561 WeakPolarHBondContact OG-CE 3.45Å; T555-M561 HydrophobicContact CG2-CB 3.94Å; E558-M561 HydrophobicContact CB-CB 4.23Å; E558-M561 HydrophobicContact CB-CG 4.11Å; E558-M561 HydrophobicContact CG-CB 4.23Å; E558-M561 HydrophobicContact CG-CG 3.69Å; E558-M561 PolarHBondContact O-N 3.22Å; P559-M561 PolarHBondContact O-N 2.73Å; M561-R563 PolarHBondContact O-N 3.01Å; M561-R563 VanDerWaalsContact O-N 3.12Å; M561-Y564 PolarHBondContact O-N 3.03Å; M561-Y564 HydrophobicContact SD-CD2 4.14Å; M561-Y564 HydrophobicContact SD-CE2 4.39Å |
| 562 | L | 95.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -54 | -35.1 | -178.9 | -68.3 | 178.3 | 0 | 0 | 0 | 113 | L556 E558 P559 Y564 A565 N682 E685 L686 T689 | L556-L562 HydrophobicContact CD2-CD2 4.09Å; E558-L562 PolarHBondContact O-N 2.91Å; P559-L562 WeakPolarHBondContact O-CB 3.29Å; P559-L562 PolarHBondContact O-N 3.32Å; L562-Y564 PolarHBondContact O-N 3.36Å; L562-A565 VanDerWaalsContact O-CB 3.27Å; L562-A565 WeakPolarHBondContact O-CB 3.48Å; L562-A565 PolarHBondContact O-N 3.04Å; L562-N682 HydrophobicContact CD1-CB 4.2Å; L562-E685 HydrophobicContact CB-CB 3.78Å; L562-L686 HydrophobicContact CB-CD2 4.27Å; L562-L686 HydrophobicContact CB-CG 4.4Å; L562-L686 HydrophobicContact CD1-CD1 4.42Å; L562-L686 HydrophobicContact CD1-CD2 4.38Å; L562-L686 HydrophobicContact CD1-CG 4.05Å; L562-L686 HydrophobicContact CD2-CD2 4.1Å; L562-L686 HydrophobicContact CG-CD2 4.49Å; L562-T689 PolarHBondContact O-OG1 3.28Å |
| 563 | R | 95.4 | Very high | 95.5 | Very high | 96 Ų | 96 | 30.9 Ų | 30.9 | 36% | 0.362 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -65.1 | -16.3 | 178.1 | 64.8 | 178.5 | -61.8 | 161.7 | 3.9 | 116 | M561 E685 T689 | M561-R563 PolarHBondContact O-N 3.01Å; M561-R563 VanDerWaalsContact O-N 3.12Å; R563-E685 WeakPolarHBondContact CA-O 3.48Å; R563-E685 HydrophobicContact CB-CB 4.24Å; R563-E685 VanDerWaalsContact CB-OE2 3.23Å; R563-E685 WeakPolarHBondContact CB-OE2 3.16Å; R563-E685 WeakPolarHBondContact CD-OE2 3.42Å; R563-T689 VanDerWaalsContact CA-OG1 3.25Å; R563-T689 WeakPolarHBondContact CA-OG1 3.47Å; R563-T689 PolarHBondContact O-OG1 3.39Å; R563-T689 VanDerWaalsContact O-OG1 3.14Å |
| 564 | Y | 97.3 | Very high | 95.6 | Very high | 13 Ų | 13 | 28.8 Ų | 28.8 | 5% | 0.051 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -104.8 | -2.1 | -179.3 | -53.4 | -56.9 | 0 | 0 | 0 | 111.7 | K349 E406 F409 M561 L562 I566 A567 | K349-Y564 PolarHBondContact NZ-OH 3.49Å; E406-Y564 HydrophobicContact CB-CD2 3.59Å; E406-Y564 HydrophobicContact CB-CE2 3.6Å; E406-Y564 HydrophobicContact CB-CG 4.09Å; E406-Y564 HydrophobicContact CG-CD2 4.1Å; E406-Y564 HydrophobicContact CG-CE1 4.14Å; E406-Y564 HydrophobicContact CG-CE2 3.65Å; E406-Y564 PolarHBondContact OE1-OH 3.43Å; F409-Y564 HydrophobicContact CB-CD1 3.84Å; F409-Y564 HydrophobicContact CB-CG 4.2Å; F409-Y564 AromaticContact CD1-CD1 3.51Å; F409-Y564 HydrophobicContact CD1-CD1 3.51Å; F409-Y564 AromaticContact CD1-CE1 3.93Å; F409-Y564 HydrophobicContact CD1-CE1 3.93Å; F409-Y564 HydrophobicContact CD2-CD1 4.18Å; F409-Y564 HydrophobicContact CE1-CD1 4.08Å; F409-Y564 HydrophobicContact CE1-CE1 4.27Å; F409-Y564 AromaticContact CG-CD1 3.57Å; F409-Y564 HydrophobicContact CG-CD1 3.57Å; F409-Y564 HydrophobicContact CG-CE1 4.43Å; F409-Y564 HydrophobicContact CG-CG 4.34Å; M561-Y564 PolarHBondContact O-N 3.03Å; M561-Y564 HydrophobicContact SD-CD2 4.14Å; M561-Y564 HydrophobicContact SD-CE2 4.39Å; L562-Y564 PolarHBondContact O-N 3.36Å; Y564-I566 PolarHBondContact O-N 2.99Å; Y564-I566 VanDerWaalsContact O-N 3.14Å; Y564-A567 VanDerWaalsContact O-CB 3.27Å; Y564-A567 WeakPolarHBondContact O-CB 3.37Å; Y564-A567 PolarHBondContact O-N 3.04Å |
| 565 | A | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F552 T555 L556 L562 A567 F568 P569 L605 T689 | F552-A565 HydrophobicContact CE2-CB 4.44Å; T555-A565 HydrophobicContact CG2-CB 4Å; L556-A565 HydrophobicContact CD2-CB 4.34Å; L562-A565 VanDerWaalsContact O-CB 3.27Å; L562-A565 WeakPolarHBondContact O-CB 3.48Å; L562-A565 PolarHBondContact O-N 3.04Å; A565-A567 PolarHBondContact O-N 3.23Å; A565-F568 WeakPolarHBondContact O-CD2 3.3Å; A565-F568 PolarHBondContact O-N 2.88Å; A565-P569 WeakPolarHBondContact O-CD 3.21Å; A565-L605 HydrophobicContact CB-CD2 3.73Å; A565-T689 HydrophobicContact CB-CG2 4.23Å |
| 566 | I | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.8 | 172.4 | -163 | 62.8 | 0 | 0 | 0 | 113.1 | F409 Y564 F568 P569 L570 L602 T689 H692 V693 P705 | F409-I566 HydrophobicContact CD2-CG2 3.88Å; F409-I566 HydrophobicContact CE2-CG2 3.82Å; Y564-I566 PolarHBondContact O-N 2.99Å; Y564-I566 VanDerWaalsContact O-N 3.14Å; I566-F568 PolarHBondContact O-N 2.83Å; I566-P569 HydrophobicContact CD1-CG 4Å; I566-P569 WeakPolarHBondContact O-CD 3.46Å; I566-P569 VanDerWaalsContact O-CG 3.25Å; I566-P569 WeakPolarHBondContact O-CG 3.32Å; I566-L570 HydrophobicContact CG1-CD1 4.32Å; I566-L570 HydrophobicContact CG1-CG 4.45Å; I566-L570 HydrophobicContact CG2-CD1 4.45Å; I566-L570 WeakPolarHBondContact O-CG 3.09Å; I566-L570 PolarHBondContact O-N 3.23Å; I566-L602 HydrophobicContact CD1-CD2 4.38Å; I566-T689 HydrophobicContact CB-CG2 4.02Å; I566-H692 HydrophobicContact CG1-CB 4.35Å; I566-H692 HydrophobicContact CG2-CB 3.96Å; I566-H692 VanDerWaalsContact CG2-CD2 3.46Å; I566-H692 WeakPolarHBondContact CG2-CD2 3.5Å; I566-V693 HydrophobicContact CG1-CG2 4.26Å; I566-P705 HydrophobicContact CD1-CG 4.33Å |
| 567 | A | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.8 | -31.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L408 F409 Y564 A565 L570 I571 | L408-A567 HydrophobicContact CB-CB 3.85Å; F409-A567 HydrophobicContact CB-CB 3.99Å; Y564-A567 VanDerWaalsContact O-CB 3.27Å; Y564-A567 WeakPolarHBondContact O-CB 3.37Å; Y564-A567 PolarHBondContact O-N 3.04Å; A565-A567 PolarHBondContact O-N 3.23Å; A567-L570 PolarHBondContact O-N 3.42Å; A567-I571 WeakPolarHBondContact O-CD1 3.42Å; A567-I571 VanDerWaalsContact O-CG1 3.27Å; A567-I571 WeakPolarHBondContact O-CG1 3.32Å; A567-I571 PolarHBondContact O-N 3.39Å |
| 568 | F | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.2 | -55.4 | -179.5 | -68.6 | -95.8 | 0 | 0 | 0 | 112.8 | A405 L408 F548 M551 F552 T555 A565 I566 L570 I571 C572 F601 | A405-F568 HydrophobicContact CB-CE2 3.77Å; A405-F568 HydrophobicContact CB-CZ 4.32Å; L408-F568 HydrophobicContact CD1-CE1 4.33Å; L408-F568 HydrophobicContact CD1-CZ 4.33Å; F548-F568 AromaticContact CD2-CD1 3.66Å; F548-F568 HydrophobicContact CD2-CD1 3.66Å; F548-F568 AromaticContact CD2-CE1 3.91Å; F548-F568 HydrophobicContact CD2-CE1 3.91Å; F548-F568 HydrophobicContact CE2-CB 4.37Å; F548-F568 AromaticContact CE2-CD1 3.23Å; F548-F568 HydrophobicContact CE2-CD1 3.23Å; F548-F568 AromaticContact CE2-CE1 3.78Å; F548-F568 HydrophobicContact CE2-CE1 3.78Å; F548-F568 HydrophobicContact CE2-CG 4.11Å; F548-F568 HydrophobicContact CG-CD1 4.47Å; F548-F568 HydrophobicContact CZ-CB 4.06Å; F548-F568 AromaticContact CZ-CD1 3.75Å; F548-F568 HydrophobicContact CZ-CD1 3.75Å; F548-F568 HydrophobicContact CZ-CG 4.31Å; F548-F568 WeakPolarHBondContact CZ-O 3.31Å; M551-F568 HydrophobicContact CB-CE1 3.79Å; M551-F568 HydrophobicContact CB-CZ 4.08Å; F552-F568 HydrophobicContact CB-CD1 3.67Å; F552-F568 HydrophobicContact CB-CE1 3.74Å; F552-F568 HydrophobicContact CB-CG 4.1Å; F552-F568 HydrophobicContact CB-CZ 4.19Å; F552-F568 HydrophobicContact CD2-CB 3.94Å; F552-F568 HydrophobicContact CD2-CD1 4.14Å; F552-F568 AromaticContact CD2-CD2 3.69Å; F552-F568 HydrophobicContact CD2-CD2 3.69Å; F552-F568 HydrophobicContact CD2-CE2 4.19Å; F552-F568 AromaticContact CD2-CG 3.66Å; F552-F568 HydrophobicContact CD2-CG 3.66Å; F552-F568 HydrophobicContact CE2-CB 4.49Å; F552-F568 HydrophobicContact CE2-CD2 4.49Å; F552-F568 HydrophobicContact CG-CD1 4.34Å; F552-F568 HydrophobicContact CG-CG 4.29Å; F552-F568 VanDerWaalsContact N-CE1 3.31Å; T555-F568 HydrophobicContact CG2-CE2 4.14Å; T555-F568 WeakPolarHBondContact OG1-CZ 3.44Å; A565-F568 WeakPolarHBondContact O-CD2 3.3Å; A565-F568 PolarHBondContact O-N 2.88Å; I566-F568 PolarHBondContact O-N 2.83Å; F568-L570 VanDerWaalsContact C-N 3.29Å; F568-L570 PolarHBondContact O-N 3.48Å; F568-I571 PolarHBondContact O-N 3.07Å; F568-C572 PolarHBondContact O-N 3.25Å; F568-F601 HydrophobicContact CB-CD2 4.13Å; F568-F601 HydrophobicContact CB-CE2 4.33Å; F568-F601 HydrophobicContact CB-CG 4.37Å |
| 569 | P | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.7 | -31 | 175 | 24.1 | -33.6 | 0 | 0 | 0 | 112.9 | A565 I566 C572 F601 L602 F696 | A565-P569 WeakPolarHBondContact O-CD 3.21Å; I566-P569 HydrophobicContact CD1-CG 4Å; I566-P569 WeakPolarHBondContact O-CD 3.46Å; I566-P569 VanDerWaalsContact O-CG 3.25Å; I566-P569 WeakPolarHBondContact O-CG 3.32Å; P569-C572 VanDerWaalsContact O-CB 3.3Å; P569-C572 WeakPolarHBondContact O-CB 3.49Å; P569-C572 PolarHBondContact O-N 2.94Å; P569-F601 HydrophobicContact CB-CB 4.31Å; P569-F601 HydrophobicContact CG-CB 4.49Å; P569-L602 HydrophobicContact CB-CD2 4.02Å; P569-L602 HydrophobicContact CB-CG 4.08Å; P569-L602 HydrophobicContact CG-CD2 3.93Å; P569-L602 HydrophobicContact CG-CG 4.46Å; P569-F696 HydrophobicContact CB-CZ 3.94Å; P569-F696 WeakPolarHBondContact O-CE2 3.41Å |
| 570 | L | 97.3 | Very high | 95.6 | Very high | 15 Ų | 15 | 21.3 Ų | 21.3 | 8% | 0.079 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 174.8 | -71 | 174 | 0 | 0 | 0 | 112.6 | E412 I566 A567 F568 C572 A573 V693 F696 | E412-L570 HydrophobicContact CB-CD1 4.31Å; E412-L570 HydrophobicContact CG-CB 4.07Å; E412-L570 HydrophobicContact CG-CD1 4.31Å; I566-L570 HydrophobicContact CG1-CD1 4.32Å; I566-L570 HydrophobicContact CG1-CG 4.45Å; I566-L570 HydrophobicContact CG2-CD1 4.45Å; I566-L570 WeakPolarHBondContact O-CG 3.09Å; I566-L570 PolarHBondContact O-N 3.23Å; A567-L570 PolarHBondContact O-N 3.42Å; F568-L570 VanDerWaalsContact C-N 3.29Å; F568-L570 PolarHBondContact O-N 3.48Å; L570-C572 PolarHBondContact O-N 3.31Å; L570-A573 WeakPolarHBondContact O-CB 3.41Å; L570-A573 PolarHBondContact O-N 2.85Å; L570-V693 HydrophobicContact CD1-CG2 4.1Å; L570-V693 HydrophobicContact CD2-CG2 4.17Å; L570-F696 HydrophobicContact CD2-CB 3.97Å; L570-F696 HydrophobicContact CD2-CD1 3.9Å; L570-F696 HydrophobicContact CD2-CD2 3.99Å; L570-F696 HydrophobicContact CD2-CE1 4.42Å; L570-F696 HydrophobicContact CD2-CE2 4.48Å; L570-F696 HydrophobicContact CD2-CG 3.68Å |
| 571 | I | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -25.5 | 176.7 | -74.8 | 164.7 | 0 | 0 | 0 | 112.1 | L408 L538 F541 F548 A567 F568 A573 H574 F575 | L408-I571 HydrophobicContact CB-CD1 3.78Å; L408-I571 HydrophobicContact CD1-CD1 3.74Å; L408-I571 HydrophobicContact CD2-CD1 3.73Å; L408-I571 HydrophobicContact CG-CD1 3.92Å; L538-I571 HydrophobicContact CB-CG2 4.15Å; L538-I571 HydrophobicContact CD1-CD1 3.97Å; L538-I571 HydrophobicContact CD1-CG1 4.31Å; F541-I571 HydrophobicContact CD2-CG2 3.88Å; F548-I571 HydrophobicContact CE1-CG2 4.39Å; F548-I571 HydrophobicContact CE2-CD1 4.42Å; F548-I571 HydrophobicContact CE2-CG2 4.34Å; F548-I571 HydrophobicContact CZ-CB 3.94Å; F548-I571 HydrophobicContact CZ-CD1 4.5Å; F548-I571 HydrophobicContact CZ-CG2 3.78Å; A567-I571 WeakPolarHBondContact O-CD1 3.42Å; A567-I571 VanDerWaalsContact O-CG1 3.27Å; A567-I571 WeakPolarHBondContact O-CG1 3.32Å; A567-I571 PolarHBondContact O-N 3.39Å; F568-I571 PolarHBondContact O-N 3.07Å; I571-A573 PolarHBondContact O-N 3.48Å; I571-A573 VanDerWaalsContact O-N 3.14Å; I571-H574 WeakPolarHBondContact O-CB 3.42Å; I571-H574 PolarHBondContact O-N 3.44Å; I571-F575 HydrophobicContact CG2-CE1 4.25Å |
| 572 | C | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -59.1 | -24.9 | 172.4 | -63.5 | 0 | 0 | 0 | 0 | 112.4 | F568 P569 L570 H574 F575 C598 V698 | F568-C572 PolarHBondContact O-N 3.25Å; P569-C572 VanDerWaalsContact O-CB 3.3Å; P569-C572 WeakPolarHBondContact O-CB 3.49Å; P569-C572 PolarHBondContact O-N 2.94Å; L570-C572 PolarHBondContact O-N 3.31Å; C572-H574 PolarHBondContact O-N 3.28Å; C572-F575 WeakPolarHBondContact O-CB 3.38Å; C572-F575 PolarHBondContact O-N 3.06Å; C572-C598 HydrophobicContact CB-CB 3.78Å; C572-V698 HydrophobicContact CB-CG1 4.39Å; C572-V698 HydrophobicContact CB-CG2 4.37Å |
| 573 | A | 95.1 | Very high | 95.3 | Very high | 26 Ų | 26 | 27.8 Ų | 27.8 | 22% | 0.215 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -64.7 | -22.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L570 I571 F575 V576 S697 V698 | L570-A573 WeakPolarHBondContact O-CB 3.41Å; L570-A573 PolarHBondContact O-N 2.85Å; I571-A573 PolarHBondContact O-N 3.48Å; I571-A573 VanDerWaalsContact O-N 3.14Å; A573-F575 VanDerWaalsContact C-N 3.28Å; A573-F575 PolarHBondContact O-N 3.46Å; A573-V576 WeakPolarHBondContact O-CG1 3.24Å; A573-S697 WeakPolarHBondContact CB-O 2.85Å; A573-V698 HydrophobicContact CB-CG2 4.17Å |
| 574 | H | 96.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -74.6 | -20.4 | 178.9 | -64.2 | -172.9 | 0 | 0 | 0 | 112.5 | E412 R415 D537 L538 S539 I571 C572 V576 H577 | E412-H574 IonicContact OE1-CE1 2.78Å; E412-H574 PolarHBondContact OE1-CE1 3.12Å; E412-H574 IonicContact OE1-NE2 2.7Å; E412-H574 PolarHBondContact OE1-NE2 2.82Å; E412-H574 IonicContact OE2-NE2 2.97Å; R415-H574 VanDerWaalsContact CZ-NE2 3.28Å; R415-H574 PolarHBondContact NE-NE2 3.12Å; R415-H574 PolarHBondContact NH2-CD2 2.67Å; R415-H574 PolarHBondContact NH2-NE2 3.23Å; D537-H574 WeakPolarHBondContact OD1-CB 3.29Å; L538-H574 PolarHBondContact N-ND1 3.44Å; S539-H574 VanDerWaalsContact CB-O 3.3Å; S539-H574 WeakPolarHBondContact CB-O 3.32Å; I571-H574 WeakPolarHBondContact O-CB 3.42Å; I571-H574 PolarHBondContact O-N 3.44Å; C572-H574 PolarHBondContact O-N 3.28Å; H574-V576 PolarHBondContact O-N 2.72Å; H574-H577 WeakPolarHBondContact O-CB 3.48Å; H574-H577 PolarHBondContact O-N 3.46Å; H574-H577 PolarHBondContact O-ND1 2.91Å |
| 575 | F | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -64.3 | -18 | -171.9 | -69.5 | 9.8 | 0 | 0 | 0 | 112.7 | F541 C542 L545 F548 I571 C572 A573 H577 C578 F699 | F541-F575 HydrophobicContact CB-CE1 3.9Å; F541-F575 HydrophobicContact CB-CZ 4.09Å; C542-F575 HydrophobicContact CB-CB 4.31Å; C542-F575 HydrophobicContact CB-CD1 3.85Å; C542-F575 HydrophobicContact CB-CD2 3.65Å; C542-F575 HydrophobicContact CB-CE1 4.02Å; C542-F575 HydrophobicContact CB-CE2 3.83Å; C542-F575 HydrophobicContact CB-CG 3.66Å; C542-F575 HydrophobicContact CB-CZ 4.01Å; C542-F575 VanDerWaalsContact SG-CD2 3.51Å; L545-F575 HydrophobicContact CD2-CE2 4.12Å; L545-F575 HydrophobicContact CD2-CZ 4.21Å; F548-F575 HydrophobicContact CD1-CZ 4.46Å; F548-F575 HydrophobicContact CE1-CZ 4.26Å; I571-F575 HydrophobicContact CG2-CE1 4.25Å; C572-F575 WeakPolarHBondContact O-CB 3.38Å; C572-F575 PolarHBondContact O-N 3.06Å; A573-F575 VanDerWaalsContact C-N 3.28Å; A573-F575 PolarHBondContact O-N 3.46Å; F575-H577 VanDerWaalsContact C-N 3.28Å; F575-H577 PolarHBondContact O-N 3.31Å; F575-C578 PolarHBondContact O-SG 3.01Å; F575-F699 HydrophobicContact CB-CE2 3.7Å; F575-F699 HydrophobicContact CB-CZ 4.01Å |
| 576 | V | 93.4 | Very high | 94.5 | Very high | 46 Ų | 46 | 31.9 Ų | 31.9 | 28% | 0.279 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -67.9 | -28 | 173.1 | 71.9 | 0 | 0 | 0 | 0 | 112.5 | A573 H574 C578 T579 Y587 F699 | A573-V576 WeakPolarHBondContact O-CG1 3.24Å; H574-V576 PolarHBondContact O-N 2.72Å; V576-C578 VanDerWaalsContact C-N 3.31Å; V576-C578 PolarHBondContact O-N 3.29Å; V576-T579 WeakPolarHBondContact O-CG2 3.22Å; V576-T579 PolarHBondContact O-N 2.87Å; V576-T579 PolarHBondContact O-OG1 3.33Å; V576-Y587 HydrophobicContact CG2-CE2 4.37Å; V576-F699 HydrophobicContact CB-CD1 4.1Å; V576-F699 HydrophobicContact CB-CE1 3.86Å; V576-F699 HydrophobicContact CB-CZ 4.15Å; V576-F699 HydrophobicContact CG2-CD1 3.97Å; V576-F699 HydrophobicContact CG2-CE1 3.91Å |
| 577 | H | 93 | Very high | 94.3 | Very high | 66 Ų | 66 | 35.1 Ų | 35.1 | 31% | 0.306 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -75.3 | -14.2 | -174.7 | -51.8 | 138.1 | 0 | 0 | 0 | 114.1 | V533 D537 H574 F575 T579 | V533-H577 HydrophobicContact CG1-CB 4.05Å; D537-H577 IonicContact OD1-CG 2.75Å; D537-H577 IonicContact OD1-ND1 3.83Å; D537-H577 PolarHBondContact OD1-ND1 2.93Å; H574-H577 WeakPolarHBondContact O-CB 3.48Å; H574-H577 PolarHBondContact O-N 3.46Å; H574-H577 PolarHBondContact O-ND1 2.91Å; F575-H577 VanDerWaalsContact C-N 3.28Å; F575-H577 PolarHBondContact O-N 3.31Å; H577-T579 PolarHBondContact O-N 3.22Å |
| 578 | C | 91.8 | Very high | 94 | Very high | 17 Ų | 17 | 38.7 Ų | 38.7 | 12% | 0.115 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -83.8 | 2.3 | 177.1 | 68.2 | 0 | 0 | 0 | 0 | 114.3 | R295 F543 F575 V576 | R295-C578 PolarHBondContact NH2-O 2.96Å; R295-C578 VanDerWaalsContact NH2-O 3.13Å; F543-C578 HydrophobicContact CE2-CB 3.9Å; F543-C578 HydrophobicContact CZ-CB 4.16Å; F575-C578 PolarHBondContact O-SG 3.01Å; V576-C578 VanDerWaalsContact C-N 3.31Å; V576-C578 PolarHBondContact O-N 3.29Å |
| 579 | T | 92.5 | Very high | 93.6 | Very high | 46 Ų | 46 | 44.7 Ų | 44.7 | 28% | 0.282 | 23% | 0.233 | S | C | . | . | trans | -86.4 | 156.9 | -179.5 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | V576 H577 Y587 L590 | V576-T579 WeakPolarHBondContact O-CG2 3.22Å; V576-T579 PolarHBondContact O-N 2.87Å; V576-T579 PolarHBondContact O-OG1 3.33Å; H577-T579 PolarHBondContact O-N 3.22Å; T579-Y587 HydrophobicContact CG2-CD2 4.06Å; T579-L590 HydrophobicContact CG2-CD1 3.77Å | ||
| 580 | H | 94.6 | Very high | 93.3 | Very high | 30 Ų | 30 | 45 Ų | 45 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | trans | -141.8 | 143.7 | 178.4 | -168.8 | -81 | 0 | 0 | 0 | 110.8 | D20 G24 I27 M582 C583 | D20-H580 PolarHBondContact O-NE2 3.22Å; D20-H580 IonicContact OD1-NE2 3.6Å; D20-H580 IonicContact OD2-NE2 2.74Å; G24-H580 VanDerWaalsContact CA-CE1 3.49Å; G24-H580 WeakPolarHBondContact CA-CE1 3.27Å; G24-H580 WeakPolarHBondContact CA-ND1 3.49Å; I27-H580 HydrophobicContact CD1-CB 3.59Å; H580-M582 WeakPolarHBondContact ND1-CB 3.27Å; H580-M582 PolarHBondContact ND1-N 3.46Å; H580-M582 VanDerWaalsContact ND1-N 3.16Å; H580-M582 PolarHBondContact O-N 3.44Å; H580-M582 VanDerWaalsContact O-N 3.16Å; H580-C583 CarbonylContact O-C 3.58Å; H580-C583 PolarHBondContact O-N 2.95Å | ||
| 581 | E | 92.9 | Very high | 93.1 | Very high | 185 Ų | 185 | 46.3 Ų | 46.3 | 86% | 0.864 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -30.5 | -174.9 | -63.2 | -173.2 | 170.8 | 0 | 0 | 113.3 | C583 P584 | E581-C583 VanDerWaalsContact C-N 3.27Å; E581-C583 PolarHBondContact O-N 3.21Å; E581-P584 WeakPolarHBondContact O-CD 3.45Å |
| 582 | M | 91.9 | Very high | 92.9 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 18% | 0.177 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.1 | 174.3 | -70.4 | -175 | 53.6 | 0 | 0 | 115.6 | R21 V25 R28 H580 P584 | R21-M582 WeakPolarHBondContact CD-SD 3.39Å; R21-M582 PolarHBondContact NH1-SD 3.37Å; V25-M582 HydrophobicContact CG2-CE 3.88Å; R28-M582 WeakPolarHBondContact CD-O 3.43Å; R28-M582 PolarHBondContact NH1-O 2.94Å; H580-M582 WeakPolarHBondContact ND1-CB 3.27Å; H580-M582 PolarHBondContact ND1-N 3.46Å; H580-M582 VanDerWaalsContact ND1-N 3.16Å; H580-M582 PolarHBondContact O-N 3.44Å; H580-M582 VanDerWaalsContact O-N 3.16Å; M582-P584 VanDerWaalsContact C-CD 3.49Å |
| 583 | C | 92.6 | Very high | 92.5 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | trans | -130 | 65.8 | 175.9 | -158.8 | 0 | 0 | 0 | 0 | 110.7 | I27 R28 N31 H580 E581 E585 E586 | I27-C583 HydrophobicContact CG2-CB 3.81Å; R28-C583 HydrophobicContact CG-CB 4Å; N31-C583 PolarHBondContact ND2-SG 3.48Å; H580-C583 CarbonylContact O-C 3.58Å; H580-C583 PolarHBondContact O-N 2.95Å; E581-C583 VanDerWaalsContact C-N 3.27Å; E581-C583 PolarHBondContact O-N 3.21Å; C583-E585 WeakPolarHBondContact CA-OE2 3.33Å; C583-E585 PolarHBondContact O-N 3.37Å; C583-E585 PolarHBondContact SG-OE2 3.3Å; C583-E586 WeakPolarHBondContact O-CG 3.34Å | ||
| 584 | P | 92.1 | Very high | 92.4 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 53% | 0.532 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -67.4 | -17 | 178.4 | 30.5 | -36 | 0 | 0 | 0 | 112.5 | E581 M582 E586 Y587 | E581-P584 WeakPolarHBondContact O-CD 3.45Å; M582-P584 VanDerWaalsContact C-CD 3.49Å; P584-E586 VanDerWaalsContact C-N 3.28Å; P584-E586 PolarHBondContact O-N 3.21Å; P584-Y587 PolarHBondContact O-N 3.39Å |
| 585 | E | 89.1 | Confident | 92.3 | Very high | 99 Ų | 99 | 54.2 Ų | 54.2 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -66 | -27.3 | -174.5 | -50.7 | 93.3 | 149.5 | 0 | 0 | 112.9 | R28 C583 | R28-E585 IonicContact CZ-OE1 2.64Å; R28-E585 IonicContact NH1-OE1 3.85Å; R28-E585 PolarHBondContact NH1-OE1 3.1Å; R28-E585 IonicContact NH1-OE2 3.52Å; R28-E585 PolarHBondContact NH1-OE2 3.16Å; R28-E585 IonicContact NH2-OE1 3.61Å; R28-E585 PolarHBondContact NH2-OE1 2.84Å; C583-E585 WeakPolarHBondContact CA-OE2 3.33Å; C583-E585 PolarHBondContact O-N 3.37Å; C583-E585 PolarHBondContact SG-OE2 3.3Å |
| 586 | E | 90.8 | Very high | 92.2 | Very high | 13 Ų | 13 | 60 Ų | 60 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -83.1 | -19.4 | 178.6 | 64.2 | 178.5 | -170.6 | 0 | 0 | 113.5 | I27 N31 R295 C583 P584 H589 L590 | I27-E586 WeakPolarHBondContact CG2-OE1 3.23Å; N31-E586 PolarHBondContact ND2-OE2 2.99Å; N31-E586 PolarHBondContact OD1-OE2 3.4Å; R295-E586 IonicContact CZ-OE1 3.29Å; R295-E586 IonicContact CZ-OE2 3.58Å; R295-E586 VanDerWaalsContact CZ-OE2 3.29Å; R295-E586 IonicContact NH1-OE2 3.17Å; R295-E586 PolarHBondContact NH1-OE2 3.05Å; R295-E586 IonicContact NH2-OE1 2.73Å; R295-E586 PolarHBondContact NH2-OE1 3.2Å; R295-E586 IonicContact NH2-OE2 3.28Å; R295-E586 PolarHBondContact NH2-OE2 3.41Å; C583-E586 WeakPolarHBondContact O-CG 3.34Å; P584-E586 VanDerWaalsContact C-N 3.28Å; P584-E586 PolarHBondContact O-N 3.21Å; E586-H589 WeakPolarHBondContact O-CB 3.15Å; E586-H589 PolarHBondContact O-N 3.46Å; E586-H589 VanDerWaalsContact O-N 3.11Å; E586-L590 HydrophobicContact CB-CD1 4.19Å; E586-L590 HydrophobicContact CB-CG 4.43Å; E586-L590 HydrophobicContact CG-CD1 3.81Å; E586-L590 WeakPolarHBondContact O-CG 3.33Å; E586-L590 PolarHBondContact O-N 2.95Å |
| 587 | Y | 92.4 | Very high | 92.2 | Very high | 69 Ų | 69 | 58.4 Ų | 58.4 | 27% | 0.271 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.8 | -48.4 | -173.5 | 179.6 | -91.6 | 0 | 0 | 0 | 113.4 | V576 T579 P584 H589 L590 K591 F699 | V576-Y587 HydrophobicContact CG2-CE2 4.37Å; T579-Y587 HydrophobicContact CG2-CD2 4.06Å; P584-Y587 PolarHBondContact O-N 3.39Å; Y587-H589 VanDerWaalsContact C-N 3.26Å; Y587-H589 PolarHBondContact O-N 3.31Å; Y587-L590 PolarHBondContact O-N 3.08Å; Y587-K591 HydrophobicContact CE1-CD 3.98Å; Y587-K591 VanDerWaalsContact O-CB 3.26Å; Y587-K591 WeakPolarHBondContact O-CB 3.37Å; Y587-K591 PolarHBondContact O-N 3.25Å; Y587-F699 HydrophobicContact CD2-CD1 4.47Å; Y587-F699 HydrophobicContact CD2-CE1 4.21Å; Y587-F699 AromaticContact CE2-CD1 3.7Å; Y587-F699 HydrophobicContact CE2-CD1 3.7Å; Y587-F699 AromaticContact CE2-CE1 3.83Å; Y587-F699 HydrophobicContact CE2-CE1 3.83Å; Y587-F699 AromaticContact CZ-CD1 3.89Å |
| 588 | P | 92.5 | Very high | 92.4 | Very high | 75 Ų | 75 | 55.2 Ų | 55.2 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 178.9 | -22.1 | 34.3 | 0 | 0 | 0 | 112.7 | N592 | P588-N592 WeakPolarHBondContact O-CB 3.47Å; P588-N592 VanDerWaalsContact O-CG 3.27Å; P588-N592 PolarHBondContact O-N 3.43Å; P588-N592 VanDerWaalsContact O-N 3.1Å; P588-N592 PolarHBondContact O-ND2 2.84Å |
| 589 | H | 89.4 | Confident | 92.6 | Very high | 126 Ų | 126 | 56.8 Ų | 56.8 | 58% | 0.583 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.8 | -49.8 | 178 | -178.4 | 65.8 | 0 | 0 | 0 | 110.9 | E586 Y587 K591 N592 H593 | E586-H589 WeakPolarHBondContact O-CB 3.15Å; E586-H589 PolarHBondContact O-N 3.46Å; E586-H589 VanDerWaalsContact O-N 3.11Å; Y587-H589 VanDerWaalsContact C-N 3.26Å; Y587-H589 PolarHBondContact O-N 3.31Å; H589-K591 VanDerWaalsContact C-N 3.32Å; H589-K591 PolarHBondContact O-N 3.04Å; H589-N592 PolarHBondContact O-N 3.33Å; H589-H593 WeakPolarHBondContact O-CB 3.16Å; H589-H593 PolarHBondContact O-N 3.01Å |
| 590 | L | 91.7 | Very high | 92.8 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 178 | -66.8 | 174.4 | 0 | 0 | 0 | 112 | F543 T579 E586 Y587 H593 G594 F699 | F543-L590 HydrophobicContact CE1-CD2 4.15Å; F543-L590 HydrophobicContact CZ-CD2 4.27Å; T579-L590 HydrophobicContact CG2-CD1 3.77Å; E586-L590 HydrophobicContact CB-CD1 4.19Å; E586-L590 HydrophobicContact CB-CG 4.43Å; E586-L590 HydrophobicContact CG-CD1 3.81Å; E586-L590 WeakPolarHBondContact O-CG 3.33Å; E586-L590 PolarHBondContact O-N 2.95Å; Y587-L590 PolarHBondContact O-N 3.08Å; L590-H593 PolarHBondContact O-N 3.16Å; L590-G594 PolarHBondContact O-N 3.42Å; L590-F699 HydrophobicContact CB-CZ 4.07Å |
| 591 | K | 93.3 | Very high | 93 | Very high | 42 Ų | 42 | 55.9 Ų | 55.9 | 18% | 0.183 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.8 | -54.9 | 175.3 | 173.5 | 166.5 | -177.8 | 169.5 | 0 | 112 | Y587 H589 H593 G594 L595 F699 E700 H701 | Y587-K591 HydrophobicContact CE1-CD 3.98Å; Y587-K591 VanDerWaalsContact O-CB 3.26Å; Y587-K591 WeakPolarHBondContact O-CB 3.37Å; Y587-K591 PolarHBondContact O-N 3.25Å; H589-K591 VanDerWaalsContact C-N 3.32Å; H589-K591 PolarHBondContact O-N 3.04Å; K591-H593 VanDerWaalsContact C-N 3.25Å; K591-H593 PolarHBondContact O-N 3.43Å; K591-G594 PolarHBondContact O-N 2.88Å; K591-L595 HydrophobicContact CG-CD1 3.9Å; K591-L595 WeakPolarHBondContact O-CB 3.21Å; K591-L595 VanDerWaalsContact O-CG 3.27Å; K591-L595 WeakPolarHBondContact O-CG 3.27Å; K591-L595 PolarHBondContact O-N 3.27Å; K591-F699 HydrophobicContact CB-CB 4.18Å; K591-F699 HydrophobicContact CB-CD1 3.78Å; K591-F699 HydrophobicContact CB-CD2 4.41Å; K591-F699 HydrophobicContact CB-CE1 4.18Å; K591-F699 HydrophobicContact CB-CG 3.9Å; K591-F699 HydrophobicContact CD-CB 4Å; K591-F699 WeakPolarHBondContact CE-O 3.26Å; K591-F699 HydrophobicContact CG-CB 3.66Å; K591-F699 HydrophobicContact CG-CD1 4.2Å; K591-F699 HydrophobicContact CG-CG 3.95Å; K591-E700 IonicContact NZ-OE2 3.41Å; K591-H701 WeakPolarHBondContact CE-CE1 3.36Å |
| 592 | N | 92.3 | Very high | 93.2 | Very high | 114 Ų | 114 | 47.1 Ų | 47.1 | 61% | 0.61 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.2 | -38.9 | 179.9 | -72.2 | -18.5 | 0 | 0 | 0 | 111.5 | P588 H589 H596 | P588-N592 WeakPolarHBondContact O-CB 3.47Å; P588-N592 VanDerWaalsContact O-CG 3.27Å; P588-N592 PolarHBondContact O-N 3.43Å; P588-N592 VanDerWaalsContact O-N 3.1Å; P588-N592 PolarHBondContact O-ND2 2.84Å; H589-N592 PolarHBondContact O-N 3.33Å; N592-H596 VanDerWaalsContact O-CB 3.26Å; N592-H596 WeakPolarHBondContact O-CB 3.42Å; N592-H596 PolarHBondContact O-N 3.3Å |
| 593 | H | 89 | Confident | 93.4 | Very high | 61 Ų | 61 | 50 Ų | 50 | 28% | 0.282 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.5 | -49 | -179.4 | -159.8 | -141.8 | 0 | 0 | 0 | 112.1 | L545 H589 L590 K591 L595 H596 H597 | L545-H593 WeakPolarHBondContact CD1-CE1 3.37Å; L545-H593 VanDerWaalsContact CD1-ND1 3.34Å; L545-H593 WeakPolarHBondContact CD1-ND1 3.24Å; H589-H593 WeakPolarHBondContact O-CB 3.16Å; H589-H593 PolarHBondContact O-N 3.01Å; L590-H593 PolarHBondContact O-N 3.16Å; K591-H593 VanDerWaalsContact C-N 3.25Å; K591-H593 PolarHBondContact O-N 3.43Å; H593-L595 VanDerWaalsContact C-N 3.34Å; H593-L595 PolarHBondContact O-N 2.95Å; H593-H596 PolarHBondContact O-N 2.89Å; H593-H597 AromaticContact CD2-CD2 3.75Å; H593-H597 AromaticContact CD2-NE2 3.47Å; H593-H597 PolarHBondContact CD2-NE2 3.29Å; H593-H597 AromaticContact CE1-NE2 3.78Å; H593-H597 AromaticContact CG-CD2 3.93Å; H593-H597 AromaticContact NE2-CD2 3.89Å; H593-H597 AromaticContact NE2-NE2 3.24Å; H593-H597 PolarHBondContact NE2-NE2 2.98Å; H593-H597 PolarHBondContact O-CD2 2.8Å; H593-H597 PolarHBondContact O-N 3.46Å; H593-H597 VanDerWaalsContact O-N 3.08Å |
| 594 | G | 92.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L590 K591 C598 | L590-G594 PolarHBondContact O-N 3.42Å; K591-G594 PolarHBondContact O-N 2.88Å; G594-C598 VanDerWaalsContact O-CB 3.29Å; G594-C598 WeakPolarHBondContact O-CB 3.39Å; G594-C598 PolarHBondContact O-N 3.35Å |
| 595 | L | 94.6 | Very high | 93.8 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66 | -43.6 | 175.7 | -72 | 172.1 | 0 | 0 | 0 | 112.5 | K591 H593 H597 C598 N599 V698 H701 | K591-L595 HydrophobicContact CG-CD1 3.9Å; K591-L595 WeakPolarHBondContact O-CB 3.21Å; K591-L595 VanDerWaalsContact O-CG 3.27Å; K591-L595 WeakPolarHBondContact O-CG 3.27Å; K591-L595 PolarHBondContact O-N 3.27Å; H593-L595 VanDerWaalsContact C-N 3.34Å; H593-L595 PolarHBondContact O-N 2.95Å; L595-H597 PolarHBondContact O-N 3.48Å; L595-C598 PolarHBondContact O-N 3.27Å; L595-N599 WeakPolarHBondContact O-CB 3.45Å; L595-N599 VanDerWaalsContact O-CG 3.25Å; L595-N599 PolarHBondContact O-N 2.93Å; L595-N599 PolarHBondContact O-ND2 3.47Å; L595-V698 HydrophobicContact CD2-CB 3.97Å; L595-V698 HydrophobicContact CD2-CG1 3.86Å; L595-V698 WeakPolarHBondContact CD2-O 3.34Å; L595-V698 HydrophobicContact CG-CG1 4.43Å; L595-H701 HydrophobicContact CD2-CB 3.77Å |
| 596 | H | 94.8 | Very high | 94.2 | Very high | 120 Ų | 120 | 43.7 Ų | 43.7 | 56% | 0.556 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -58.4 | -48.2 | 177.8 | 176.2 | 67.8 | 0 | 0 | 0 | 111.7 | N592 H593 N599 S600 | N592-H596 VanDerWaalsContact O-CB 3.26Å; N592-H596 WeakPolarHBondContact O-CB 3.42Å; N592-H596 PolarHBondContact O-N 3.3Å; H593-H596 PolarHBondContact O-N 2.89Å; H596-N599 PolarHBondContact O-N 3.42Å; H596-S600 WeakPolarHBondContact O-CB 3.47Å; H596-S600 PolarHBondContact O-N 3.28Å |
| 597 | H | 93.7 | Very high | 94.4 | Very high | 13 Ų | 13 | 47.2 Ų | 47.2 | 6% | 0.06 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67 | -41.6 | 179.2 | -74 | -63.2 | 0 | 0 | 0 | 112.5 | L545 E549 H593 L595 N599 S600 F601 | L545-H597 WeakPolarHBondContact CD1-NE2 3.47Å; L545-H597 HydrophobicContact CD2-CB 4.45Å; E549-H597 IonicContact OE1-CE1 3.64Å; E549-H597 PolarHBondContact OE1-CE1 3.2Å; E549-H597 IonicContact OE1-ND1 2.8Å; E549-H597 PolarHBondContact OE1-ND1 3.18Å; H593-H597 AromaticContact CD2-CD2 3.75Å; H593-H597 AromaticContact CD2-NE2 3.47Å; H593-H597 PolarHBondContact CD2-NE2 3.29Å; H593-H597 AromaticContact CE1-NE2 3.78Å; H593-H597 AromaticContact CG-CD2 3.93Å; H593-H597 AromaticContact NE2-CD2 3.89Å; H593-H597 AromaticContact NE2-NE2 3.24Å; H593-H597 PolarHBondContact NE2-NE2 2.98Å; H593-H597 PolarHBondContact O-CD2 2.8Å; H593-H597 PolarHBondContact O-N 3.46Å; H593-H597 VanDerWaalsContact O-N 3.08Å; L595-H597 PolarHBondContact O-N 3.48Å; H597-N599 VanDerWaalsContact C-N 3.32Å; H597-N599 PolarHBondContact O-N 3.46Å; H597-S600 PolarHBondContact O-N 3.26Å; H597-F601 HydrophobicContact CB-CE2 4.38Å; H597-F601 WeakPolarHBondContact O-CD2 3.39Å; H597-F601 WeakPolarHBondContact O-CG 3.3Å; H597-F601 PolarHBondContact O-N 2.95Å |
| 598 | C | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 174.8 | -169.5 | 0 | 0 | 0 | 0 | 111.8 | C572 G594 L595 F601 L602 L703 | C572-C598 HydrophobicContact CB-CB 3.78Å; G594-C598 VanDerWaalsContact O-CB 3.29Å; G594-C598 WeakPolarHBondContact O-CB 3.39Å; G594-C598 PolarHBondContact O-N 3.35Å; L595-C598 PolarHBondContact O-N 3.27Å; C598-F601 PolarHBondContact O-N 2.93Å; C598-L602 WeakPolarHBondContact O-CG 3.36Å; C598-L602 PolarHBondContact O-N 3.31Å; C598-L602 VanDerWaalsContact O-N 3.12Å; C598-L703 HydrophobicContact CB-CD1 4.24Å; C598-L703 WeakPolarHBondContact SG-CD1 3.43Å |
| 599 | N | 96.5 | Very high | 94.6 | Very high | 50 Ų | 50 | 42.5 Ų | 42.5 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 175.3 | -73.5 | -18.1 | 0 | 0 | 0 | 111.3 | L595 H596 H597 F601 L602 E603 Y708 | L595-N599 WeakPolarHBondContact O-CB 3.45Å; L595-N599 VanDerWaalsContact O-CG 3.25Å; L595-N599 PolarHBondContact O-N 2.93Å; L595-N599 PolarHBondContact O-ND2 3.47Å; H596-N599 PolarHBondContact O-N 3.42Å; H597-N599 VanDerWaalsContact C-N 3.32Å; H597-N599 PolarHBondContact O-N 3.46Å; N599-F601 VanDerWaalsContact C-N 3.33Å; N599-F601 PolarHBondContact O-N 2.96Å; N599-L602 PolarHBondContact O-N 3.4Å; N599-E603 WeakPolarHBondContact O-CB 3.15Å; N599-E603 VanDerWaalsContact O-CG 3.31Å; N599-E603 WeakPolarHBondContact O-CG 3.38Å; N599-E603 PolarHBondContact O-N 3.4Å; N599-Y708 PolarHBondContact OD1-OH 2.95Å |
| 600 | S | 96.6 | Very high | 94.8 | Very high | 52 Ų | 52 | 36.5 Ų | 36.5 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 179.5 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | H596 H597 E604 | H596-S600 WeakPolarHBondContact O-CB 3.47Å; H596-S600 PolarHBondContact O-N 3.28Å; H597-S600 PolarHBondContact O-N 3.26Å; S600-E604 PolarHBondContact O-N 3.23Å |
| 601 | F | 97.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 2% | 0.022 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.1 | -44.9 | 175.1 | -64.2 | -40.2 | 0 | 0 | 0 | 112.2 | F548 E549 F552 F568 P569 H597 C598 N599 E604 L605 | F548-F601 AromaticContact CD1-CE2 3.77Å; F548-F601 HydrophobicContact CD1-CE2 3.77Å; F548-F601 AromaticContact CD1-CZ 3.75Å; F548-F601 HydrophobicContact CD1-CZ 3.75Å; F548-F601 AromaticContact CE1-CE2 3.48Å; F548-F601 HydrophobicContact CE1-CE2 3.48Å; F548-F601 VanDerWaalsContact CE1-CE2 3.48Å; F548-F601 AromaticContact CE1-CZ 3.93Å; F548-F601 HydrophobicContact CE1-CZ 3.93Å; F548-F601 HydrophobicContact CG-CZ 4.4Å; F548-F601 HydrophobicContact CZ-CE2 4.25Å; E549-F601 HydrophobicContact CG-CE1 4.39Å; E549-F601 HydrophobicContact CG-CZ 4.47Å; F552-F601 HydrophobicContact CB-CD1 4.29Å; F552-F601 HydrophobicContact CB-CE1 3.88Å; F552-F601 AromaticContact CD1-CD1 3.38Å; F552-F601 HydrophobicContact CD1-CD1 3.38Å; F552-F601 AromaticContact CD1-CE1 3.66Å; F552-F601 HydrophobicContact CD1-CE1 3.66Å; F552-F601 HydrophobicContact CD2-CD1 4.1Å; F552-F601 HydrophobicContact CE1-CB 4.45Å; F552-F601 AromaticContact CE1-CD1 3.53Å; F552-F601 HydrophobicContact CE1-CD1 3.53Å; F552-F601 HydrophobicContact CE1-CE1 4.26Å; F552-F601 HydrophobicContact CE1-CG 4.41Å; F552-F601 HydrophobicContact CE2-CB 4.41Å; F552-F601 HydrophobicContact CE2-CD1 4.24Å; F552-F601 AromaticContact CG-CD1 3.67Å; F552-F601 HydrophobicContact CG-CD1 3.67Å; F552-F601 AromaticContact CG-CE1 3.77Å; F552-F601 HydrophobicContact CG-CE1 3.77Å; F552-F601 HydrophobicContact CZ-CB 4.15Å; F552-F601 AromaticContact CZ-CD1 3.97Å; F552-F601 HydrophobicContact CZ-CD1 3.97Å; F552-F601 HydrophobicContact CZ-CG 4.46Å; F568-F601 HydrophobicContact CB-CD2 4.13Å; F568-F601 HydrophobicContact CB-CE2 4.33Å; F568-F601 HydrophobicContact CB-CG 4.37Å; P569-F601 HydrophobicContact CB-CB 4.31Å; P569-F601 HydrophobicContact CG-CB 4.49Å; H597-F601 HydrophobicContact CB-CE2 4.38Å; H597-F601 WeakPolarHBondContact O-CD2 3.39Å; H597-F601 WeakPolarHBondContact O-CG 3.3Å; H597-F601 PolarHBondContact O-N 2.95Å; C598-F601 PolarHBondContact O-N 2.93Å; N599-F601 VanDerWaalsContact C-N 3.33Å; N599-F601 PolarHBondContact O-N 2.96Å; F601-E604 PolarHBondContact O-N 2.96Å; F601-L605 WeakPolarHBondContact O-CB 3.43Å; F601-L605 VanDerWaalsContact O-CG 3.31Å; F601-L605 WeakPolarHBondContact O-CG 3.37Å; F601-L605 PolarHBondContact O-N 2.71Å |
| 602 | L | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | 178.3 | -68.9 | 175.6 | 0 | 0 | 0 | 112.4 | I566 P569 C598 N599 L605 A606 F696 L703 P705 Y708 | I566-L602 HydrophobicContact CD1-CD2 4.38Å; P569-L602 HydrophobicContact CB-CD2 4.02Å; P569-L602 HydrophobicContact CB-CG 4.08Å; P569-L602 HydrophobicContact CG-CD2 3.93Å; P569-L602 HydrophobicContact CG-CG 4.46Å; C598-L602 WeakPolarHBondContact O-CG 3.36Å; C598-L602 PolarHBondContact O-N 3.31Å; C598-L602 VanDerWaalsContact O-N 3.12Å; N599-L602 PolarHBondContact O-N 3.4Å; L602-L605 PolarHBondContact O-N 2.78Å; L602-A606 VanDerWaalsContact O-CB 3.24Å; L602-A606 WeakPolarHBondContact O-CB 3.22Å; L602-A606 PolarHBondContact O-N 3.19Å; L602-F696 HydrophobicContact CD1-CE1 4.46Å; L602-F696 HydrophobicContact CD1-CZ 4.17Å; L602-L703 HydrophobicContact CD1-CB 4.26Å; L602-L703 HydrophobicContact CD1-CD1 4.35Å; L602-P705 HydrophobicContact CD2-CB 4.12Å; L602-P705 HydrophobicContact CD2-CG 4.06Å; L602-Y708 HydrophobicContact CB-CD1 3.96Å; L602-Y708 HydrophobicContact CB-CD2 4.23Å; L602-Y708 HydrophobicContact CB-CE1 4.12Å; L602-Y708 HydrophobicContact CB-CE2 4.41Å; L602-Y708 HydrophobicContact CB-CG 4.03Å; L602-Y708 HydrophobicContact CD1-CD2 4.17Å; L602-Y708 HydrophobicContact CD1-CE2 3.83Å |
| 603 | E | 96.6 | Very high | 95 | Very high | 96 Ų | 96 | 31.2 Ų | 31.2 | 45% | 0.449 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 175.2 | -76.5 | 175.1 | -173.8 | 0 | 0 | 111.7 | N599 A606 K607 Y708 | N599-E603 WeakPolarHBondContact O-CB 3.15Å; N599-E603 VanDerWaalsContact O-CG 3.31Å; N599-E603 WeakPolarHBondContact O-CG 3.38Å; N599-E603 PolarHBondContact O-N 3.4Å; E603-A606 PolarHBondContact O-N 2.83Å; E603-K607 WeakPolarHBondContact O-CB 3.31Å; E603-K607 PolarHBondContact O-N 3.41Å; E603-Y708 HydrophobicContact CG-CD1 3.87Å; E603-Y708 HydrophobicContact CG-CE1 4.02Å |
| 604 | E | 96.9 | Very high | 95.3 | Very high | 55 Ų | 55 | 28.8 Ų | 28.8 | 26% | 0.257 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -68.7 | -38.3 | 178.8 | -174.2 | 59.8 | -154.6 | 0 | 0 | 111.6 | F552 L556 S600 F601 K607 Q608 | F552-E604 HydrophobicContact CE1-CB 4.08Å; F552-E604 HydrophobicContact CE1-CG 4.12Å; F552-E604 HydrophobicContact CZ-CB 4.4Å; L556-E604 HydrophobicContact CD1-CG 3.77Å; S600-E604 PolarHBondContact O-N 3.23Å; F601-E604 PolarHBondContact O-N 2.96Å; E604-K607 PolarHBondContact O-N 2.87Å; E604-K607 IonicContact OE1-NZ 2.74Å; E604-K607 PolarHBondContact OE1-NZ 3.44Å; E604-K607 IonicContact OE2-NZ 3.77Å; E604-K607 PolarHBondContact OE2-NZ 3.25Å; E604-Q608 WeakPolarHBondContact O-CG 3.22Å; E604-Q608 PolarHBondContact O-N 3.49Å; E604-Q608 PolarHBondContact OE1-NE2 3.38Å |
| 605 | L | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -45.9 | 172.5 | -72.6 | 175.5 | 0 | 0 | 0 | 112.1 | F552 L556 A565 F601 L602 K607 Q608 T609 L686 T689 M690 | F552-L605 HydrophobicContact CE2-CD1 4.46Å; F552-L605 HydrophobicContact CE2-CD2 4.04Å; F552-L605 HydrophobicContact CE2-CG 4.1Å; F552-L605 HydrophobicContact CZ-CD2 4.11Å; F552-L605 HydrophobicContact CZ-CG 3.94Å; L556-L605 HydrophobicContact CD2-CD2 3.75Å; A565-L605 HydrophobicContact CB-CD2 3.73Å; F601-L605 WeakPolarHBondContact O-CB 3.43Å; F601-L605 VanDerWaalsContact O-CG 3.31Å; F601-L605 WeakPolarHBondContact O-CG 3.37Å; F601-L605 PolarHBondContact O-N 2.71Å; L602-L605 PolarHBondContact O-N 2.78Å; L605-K607 VanDerWaalsContact C-N 3.33Å; L605-K607 PolarHBondContact O-N 3.11Å; L605-Q608 PolarHBondContact O-N 2.88Å; L605-T609 WeakPolarHBondContact O-CB 3.47Å; L605-T609 PolarHBondContact O-N 3.36Å; L605-T609 PolarHBondContact O-OG1 3.38Å; L605-L686 HydrophobicContact CD2-CD2 4.49Å; L605-T689 HydrophobicContact CD1-CG2 3.87Å; L605-T689 HydrophobicContact CD2-CG2 4.07Å; L605-M690 HydrophobicContact CB-SD 3.73Å; L605-M690 HydrophobicContact CD1-SD 4.47Å |
| 606 | A | 95.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L602 E603 S610 M690 H712 | L602-A606 VanDerWaalsContact O-CB 3.24Å; L602-A606 WeakPolarHBondContact O-CB 3.22Å; L602-A606 PolarHBondContact O-N 3.19Å; E603-A606 PolarHBondContact O-N 2.83Å; A606-S610 VanDerWaalsContact O-CB 3.27Å; A606-S610 WeakPolarHBondContact O-CB 3.39Å; A606-S610 PolarHBondContact O-N 3.43Å; A606-M690 HydrophobicContact CB-CE 4.22Å; A606-H712 HydrophobicContact CB-CB 4.28Å |
| 607 | K | 95.4 | Very high | 95.4 | Very high | 87 Ų | 87 | 27.4 Ų | 27.4 | 38% | 0.378 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62.6 | -51.8 | 176.2 | 176.9 | -177.2 | 153.8 | -142.4 | 0 | 111.9 | E603 E604 L605 T609 S610 D611 | E603-K607 WeakPolarHBondContact O-CB 3.31Å; E603-K607 PolarHBondContact O-N 3.41Å; E604-K607 PolarHBondContact O-N 2.87Å; E604-K607 IonicContact OE1-NZ 2.74Å; E604-K607 PolarHBondContact OE1-NZ 3.44Å; E604-K607 IonicContact OE2-NZ 3.77Å; E604-K607 PolarHBondContact OE2-NZ 3.25Å; L605-K607 VanDerWaalsContact C-N 3.33Å; L605-K607 PolarHBondContact O-N 3.11Å; K607-T609 VanDerWaalsContact C-N 3.32Å; K607-T609 PolarHBondContact O-N 3.12Å; K607-S610 PolarHBondContact O-N 3.36Å; K607-D611 WeakPolarHBondContact O-CB 3.23Å; K607-D611 PolarHBondContact O-N 2.91Å |
| 608 | Q | 94.5 | Very high | 95.4 | Very high | 46 Ų | 46 | 28.2 Ų | 28.2 | 22% | 0.215 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 179.2 | -71.8 | -169.1 | 8.5 | 0 | 0 | 112.5 | E604 L605 D611 C612 L686 | E604-Q608 WeakPolarHBondContact O-CG 3.22Å; E604-Q608 PolarHBondContact O-N 3.49Å; E604-Q608 PolarHBondContact OE1-NE2 3.38Å; L605-Q608 PolarHBondContact O-N 2.88Å; Q608-D611 PolarHBondContact O-N 3.22Å; Q608-C612 WeakPolarHBondContact O-CB 3.34Å; Q608-C612 PolarHBondContact O-N 3.48Å; Q608-L686 HydrophobicContact CB-CD1 4.47Å |
| 609 | T | 94.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62 | -47.9 | 174.1 | -53.5 | 0 | 0 | 0 | 0 | 110.5 | L605 K607 D611 C612 V613 L683 L686 L709 L758 | L605-T609 WeakPolarHBondContact O-CB 3.47Å; L605-T609 PolarHBondContact O-N 3.36Å; L605-T609 PolarHBondContact O-OG1 3.38Å; K607-T609 VanDerWaalsContact C-N 3.32Å; K607-T609 PolarHBondContact O-N 3.12Å; T609-D611 VanDerWaalsContact C-N 3.35Å; T609-D611 PolarHBondContact O-N 3.21Å; T609-C612 PolarHBondContact O-N 3.45Å; T609-V613 VanDerWaalsContact O-CG2 3.31Å; T609-V613 WeakPolarHBondContact O-CG2 3.39Å; T609-V613 PolarHBondContact O-N 2.97Å; T609-L683 HydrophobicContact CG2-CD1 4.31Å; T609-L686 HydrophobicContact CG2-CB 4.38Å; T609-L709 HydrophobicContact CG2-CD1 3.69Å; T609-L709 HydrophobicContact CG2-CD2 4.06Å; T609-L758 HydrophobicContact CG2-CD2 3.93Å |
| 610 | S | 94.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63 | -38.9 | 178 | -178.6 | 0 | 0 | 0 | 0 | 112.7 | A606 K607 V613 L614 | A606-S610 VanDerWaalsContact O-CB 3.27Å; A606-S610 WeakPolarHBondContact O-CB 3.39Å; A606-S610 PolarHBondContact O-N 3.43Å; K607-S610 PolarHBondContact O-N 3.36Å; S610-V613 PolarHBondContact O-N 3.18Å; S610-L614 WeakPolarHBondContact O-CG 3.45Å; S610-L614 PolarHBondContact O-N 3.37Å |
| 611 | D | 93.5 | Very high | 94.8 | Very high | 42 Ų | 42 | 31.7 Ų | 31.7 | 23% | 0.225 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.3 | -44.3 | 178.5 | -73.8 | -26.2 | 0 | 0 | 0 | 110.5 | K607 Q608 T609 V613 L614 E615 R716 | K607-D611 WeakPolarHBondContact O-CB 3.23Å; K607-D611 PolarHBondContact O-N 2.91Å; Q608-D611 PolarHBondContact O-N 3.22Å; T609-D611 VanDerWaalsContact C-N 3.35Å; T609-D611 PolarHBondContact O-N 3.21Å; D611-V613 PolarHBondContact O-N 3.15Å; D611-L614 PolarHBondContact O-N 2.92Å; D611-E615 WeakPolarHBondContact O-CG 3.49Å; D611-E615 PolarHBondContact O-N 2.79Å; D611-R716 IonicContact OD1-CZ 3.66Å; D611-R716 VanDerWaalsContact OD1-CZ 3.27Å; D611-R716 IonicContact OD1-NE 3.63Å; D611-R716 PolarHBondContact OD1-NE 2.93Å; D611-R716 IonicContact OD1-NH2 3.72Å; D611-R716 PolarHBondContact OD1-NH2 3.35Å |
| 612 | C | 94.4 | Very high | 94.5 | Very high | 10 Ų | 10 | 34.7 Ų | 34.7 | 7% | 0.068 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 174.7 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | Q608 T609 L614 E615 I616 L679 L686 | Q608-C612 WeakPolarHBondContact O-CB 3.34Å; Q608-C612 PolarHBondContact O-N 3.48Å; T609-C612 PolarHBondContact O-N 3.45Å; C612-L614 VanDerWaalsContact C-N 3.34Å; C612-L614 PolarHBondContact O-N 2.94Å; C612-E615 PolarHBondContact O-N 2.76Å; C612-I616 WeakPolarHBondContact O-CG1 3.38Å; C612-I616 PolarHBondContact O-N 2.98Å; C612-I616 VanDerWaalsContact O-N 3.08Å; C612-L679 PolarHBondContact SG-O 3Å; C612-L679 VanDerWaalsContact SG-O 3.38Å; C612-L686 HydrophobicContact CB-CD1 4.48Å |
| 613 | V | 94.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 174.6 | 170.8 | 0 | 0 | 0 | 0 | 111 | T609 S610 D611 I616 C617 L683 L713 F750 I751 L754 L758 | T609-V613 VanDerWaalsContact O-CG2 3.31Å; T609-V613 WeakPolarHBondContact O-CG2 3.39Å; T609-V613 PolarHBondContact O-N 2.97Å; S610-V613 PolarHBondContact O-N 3.18Å; D611-V613 PolarHBondContact O-N 3.15Å; V613-I616 PolarHBondContact O-N 3Å; V613-C617 PolarHBondContact O-N 3.24Å; V613-C617 PolarHBondContact O-SG 2.79Å; V613-L683 HydrophobicContact CG2-CD1 3.54Å; V613-L683 HydrophobicContact CG2-CD2 4.33Å; V613-L713 HydrophobicContact CB-CD1 4.1Å; V613-L713 HydrophobicContact CG1-CD1 3.85Å; V613-F750 HydrophobicContact CG1-CD1 4.5Å; V613-F750 HydrophobicContact CG1-CE1 4.22Å; V613-I751 HydrophobicContact CG1-CG1 4.07Å; V613-L754 HydrophobicContact CB-CD1 4.48Å; V613-L754 HydrophobicContact CG1-CD1 3.92Å; V613-L754 HydrophobicContact CG2-CD1 3.83Å; V613-L758 HydrophobicContact CG2-CD1 4.17Å |
| 614 | L | 94 | Very high | 93.9 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -72.3 | -31.5 | -178.4 | -73.1 | -172 | 0 | 0 | 0 | 114.1 | S610 D611 C612 I616 C617 A618 R716 A720 Y747 | S610-L614 WeakPolarHBondContact O-CG 3.45Å; S610-L614 PolarHBondContact O-N 3.37Å; D611-L614 PolarHBondContact O-N 2.92Å; C612-L614 VanDerWaalsContact C-N 3.34Å; C612-L614 PolarHBondContact O-N 2.94Å; L614-I616 VanDerWaalsContact C-N 3.34Å; L614-C617 WeakPolarHBondContact O-CB 3.31Å; L614-C617 PolarHBondContact O-N 3.44Å; L614-A618 PolarHBondContact O-N 3.14Å; L614-R716 HydrophobicContact CD1-CB 3.53Å; L614-A720 HydrophobicContact CD1-CB 4.29Å; L614-A720 HydrophobicContact CD2-CB 4.4Å; L614-Y747 HydrophobicContact CD2-CD1 4.25Å; L614-Y747 HydrophobicContact CD2-CE1 4.09Å |
| 615 | E | 94.6 | Very high | 93.6 | Very high | 111 Ų | 111 | 34.5 Ų | 34.5 | 52% | 0.519 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 170.8 | -76 | -179.4 | -175.9 | 0 | 0 | 110.9 | D611 C612 A618 E619 L679 | D611-E615 WeakPolarHBondContact O-CG 3.49Å; D611-E615 PolarHBondContact O-N 2.79Å; C612-E615 PolarHBondContact O-N 2.76Å; E615-A618 WeakPolarHBondContact O-CB 3.39Å; E615-A618 PolarHBondContact O-N 2.66Å; E615-E619 PolarHBondContact O-N 3.35Å; E615-L679 HydrophobicContact CB-CD1 4.34Å; E615-L679 HydrophobicContact CB-CD2 4.21Å; E615-L679 VanDerWaalsContact OE2-CD2 3.26Å; E615-L679 WeakPolarHBondContact OE2-CD2 3.39Å |
| 616 | I | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 174.3 | -62.6 | 163.3 | 0 | 0 | 0 | 110.8 | C612 V613 L614 A618 E619 Q620 M676 L679 L683 F750 | C612-I616 WeakPolarHBondContact O-CG1 3.38Å; C612-I616 PolarHBondContact O-N 2.98Å; C612-I616 VanDerWaalsContact O-N 3.08Å; V613-I616 PolarHBondContact O-N 3Å; L614-I616 VanDerWaalsContact C-N 3.34Å; I616-A618 VanDerWaalsContact C-N 3.25Å; I616-A618 PolarHBondContact O-N 3.36Å; I616-E619 PolarHBondContact O-N 3.13Å; I616-Q620 HydrophobicContact CG2-CG 4.16Å; I616-Q620 VanDerWaalsContact O-CG 3.31Å; I616-Q620 WeakPolarHBondContact O-CG 3.49Å; I616-Q620 PolarHBondContact O-N 2.9Å; I616-M676 HydrophobicContact CG2-CE 3.71Å; I616-L679 HydrophobicContact CD1-CB 3.92Å; I616-L679 HydrophobicContact CG1-CB 3.55Å; I616-L679 HydrophobicContact CG1-CD1 3.96Å; I616-L679 HydrophobicContact CG1-CG 4.3Å; I616-L683 HydrophobicContact CD1-CB 4.05Å; I616-L683 HydrophobicContact CD1-CD2 3.61Å; I616-L683 HydrophobicContact CD1-CG 4.44Å; I616-F750 HydrophobicContact CB-CD1 4.46Å; I616-F750 HydrophobicContact CB-CE1 3.63Å; I616-F750 HydrophobicContact CB-CZ 3.73Å; I616-F750 HydrophobicContact CD1-CE1 4.36Å; I616-F750 HydrophobicContact CD1-CZ 3.95Å; I616-F750 HydrophobicContact CG1-CZ 4.44Å; I616-F750 HydrophobicContact CG2-CD1 4.11Å; I616-F750 HydrophobicContact CG2-CD2 4.2Å; I616-F750 HydrophobicContact CG2-CE1 3.44Å; I616-F750 VanDerWaalsContact CG2-CE1 3.44Å; I616-F750 HydrophobicContact CG2-CE2 3.58Å; I616-F750 HydrophobicContact CG2-CG 4.43Å; I616-F750 HydrophobicContact CG2-CZ 3.16Å |
| 617 | C | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.4 | -43.5 | 172.8 | -73.7 | 0 | 0 | 0 | 0 | 111.7 | V613 L614 Q620 R621 Y747 F750 | V613-C617 PolarHBondContact O-N 3.24Å; V613-C617 PolarHBondContact O-SG 2.79Å; L614-C617 WeakPolarHBondContact O-CB 3.31Å; L614-C617 PolarHBondContact O-N 3.44Å; C617-Q620 PolarHBondContact O-N 3.19Å; C617-R621 WeakPolarHBondContact O-CB 3.34Å; C617-R621 PolarHBondContact O-N 3.3Å; C617-Y747 HydrophobicContact CB-CD1 3.67Å; C617-Y747 HydrophobicContact CB-CD2 3.6Å; C617-Y747 HydrophobicContact CB-CE1 3.64Å; C617-Y747 HydrophobicContact CB-CE2 3.59Å; C617-Y747 HydrophobicContact CB-CG 3.63Å; C617-Y747 WeakPolarHBondContact O-CE2 3.49Å; C617-F750 VanDerWaalsContact SG-CD1 3.57Å |
| 618 | A | 93.5 | Very high | 92.7 | Very high | 30 Ų | 30 | 41.7 Ų | 41.7 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L614 E615 I616 R621 N622 Y747 | L614-A618 PolarHBondContact O-N 3.14Å; E615-A618 WeakPolarHBondContact O-CB 3.39Å; E615-A618 PolarHBondContact O-N 2.66Å; I616-A618 VanDerWaalsContact C-N 3.25Å; I616-A618 PolarHBondContact O-N 3.36Å; A618-R621 WeakPolarHBondContact O-CB 3.43Å; A618-R621 PolarHBondContact O-N 3.04Å; A618-N622 VanDerWaalsContact O-CG 3.27Å; A618-N622 PolarHBondContact O-N 3.15Å; A618-N622 PolarHBondContact O-ND2 3.13Å; A618-N622 PolarHBondContact O-OD1 3.49Å; A618-Y747 WeakPolarHBondContact CA-OH 3.44Å |
| 619 | E | 93 | Very high | 92.4 | Very high | 61 Ų | 61 | 44.7 Ų | 44.7 | 29% | 0.285 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 174.6 | -67.2 | -70.4 | -172.2 | 0 | 0 | 112.1 | E615 I616 R621 N622 L623 N675 M676 L679 | E615-E619 PolarHBondContact O-N 3.35Å; I616-E619 PolarHBondContact O-N 3.13Å; E619-R621 VanDerWaalsContact C-N 3.28Å; E619-R621 PolarHBondContact O-N 3.23Å; E619-N622 WeakPolarHBondContact O-CB 3.43Å; E619-N622 PolarHBondContact O-N 3.32Å; E619-N622 VanDerWaalsContact O-N 3.14Å; E619-L623 WeakPolarHBondContact O-CG 3.32Å; E619-L623 PolarHBondContact O-N 3.27Å; E619-N675 PolarHBondContact OE1-ND2 2.82Å; E619-N675 VanDerWaalsContact OE1-ND2 3.07Å; E619-M676 HydrophobicContact CB-CE 4.24Å; E619-M676 HydrophobicContact CB-SD 3.34Å; E619-M676 WeakPolarHBondContact CB-SD 3.38Å; E619-M676 HydrophobicContact CG-SD 3.67Å; E619-L679 HydrophobicContact CG-CD1 4.31Å |
| 620 | Q | 91.8 | Very high | 92 | Very high | 56 Ų | 56 | 48.4 Ų | 48.4 | 26% | 0.262 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 174.8 | -68.1 | -62.9 | -15 | 0 | 0 | 112.2 | I616 C617 L623 S624 F750 | I616-Q620 HydrophobicContact CG2-CG 4.16Å; I616-Q620 VanDerWaalsContact O-CG 3.31Å; I616-Q620 WeakPolarHBondContact O-CG 3.49Å; I616-Q620 PolarHBondContact O-N 2.9Å; C617-Q620 PolarHBondContact O-N 3.19Å; Q620-L623 PolarHBondContact O-N 2.83Å; Q620-S624 WeakPolarHBondContact O-CB 3.4Å; Q620-S624 PolarHBondContact O-N 3.1Å; Q620-S624 PolarHBondContact O-OG 3.01Å; Q620-F750 HydrophobicContact CG-CD2 4.4Å; Q620-F750 HydrophobicContact CG-CG 4.47Å |
| 621 | R | 92.9 | Very high | 91.6 | Very high | 57 Ų | 57 | 51.5 Ų | 51.5 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 172.1 | 172.6 | -108.7 | 170.3 | 137.6 | -1.9 | 111.5 | C617 A618 E619 L623 S624 E625 L724 A746 Y747 | C617-R621 WeakPolarHBondContact O-CB 3.34Å; C617-R621 PolarHBondContact O-N 3.3Å; A618-R621 WeakPolarHBondContact O-CB 3.43Å; A618-R621 PolarHBondContact O-N 3.04Å; E619-R621 VanDerWaalsContact C-N 3.28Å; E619-R621 PolarHBondContact O-N 3.23Å; R621-L623 VanDerWaalsContact C-N 3.29Å; R621-L623 PolarHBondContact O-N 3.23Å; R621-S624 PolarHBondContact O-N 2.85Å; R621-E625 WeakPolarHBondContact O-CB 3.25Å; R621-E625 PolarHBondContact O-N 3.33Å; R621-L724 HydrophobicContact CG-CD2 4.42Å; R621-A746 HydrophobicContact CB-CB 4.43Å; R621-Y747 HydrophobicContact CB-CD2 4.2Å; R621-Y747 HydrophobicContact CB-CE2 3.71Å; R621-Y747 HydrophobicContact CG-CE2 4.35Å |
| 622 | N | 92.1 | Very high | 91.3 | Very high | 69 Ų | 69 | 52.6 Ų | 52.6 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 174.6 | -66.6 | -23.5 | 0 | 0 | 0 | 111.7 | A618 E619 E625 Q626 | A618-N622 VanDerWaalsContact O-CG 3.27Å; A618-N622 PolarHBondContact O-N 3.15Å; A618-N622 PolarHBondContact O-ND2 3.13Å; A618-N622 PolarHBondContact O-OD1 3.49Å; E619-N622 WeakPolarHBondContact O-CB 3.43Å; E619-N622 PolarHBondContact O-N 3.32Å; E619-N622 VanDerWaalsContact O-N 3.14Å; N622-E625 PolarHBondContact O-N 3Å; N622-Q626 WeakPolarHBondContact O-CG 3.43Å; N622-Q626 PolarHBondContact O-N 3.32Å |
| 623 | L | 91.3 | Very high | 90.9 | Very high | 50 Ų | 50 | 55 Ų | 55 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67 | -42.3 | 174.5 | -63.8 | 177.2 | 0 | 0 | 0 | 111.8 | E619 Q620 R621 E625 Q626 E664 | E619-L623 WeakPolarHBondContact O-CG 3.32Å; E619-L623 PolarHBondContact O-N 3.27Å; Q620-L623 PolarHBondContact O-N 2.83Å; R621-L623 VanDerWaalsContact C-N 3.29Å; R621-L623 PolarHBondContact O-N 3.23Å; L623-E625 VanDerWaalsContact C-N 3.31Å; L623-E625 PolarHBondContact O-N 3.41Å; L623-Q626 WeakPolarHBondContact O-CB 3.19Å; L623-Q626 PolarHBondContact O-N 2.93Å; L623-E664 HydrophobicContact CD2-CG 3.86Å |
| 624 | S | 90.4 | Very high | 90.4 | Very high | 36 Ų | 36 | 58.8 Ų | 58.8 | 25% | 0.252 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.4 | -35.6 | 177 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | Q620 R621 Q626 L627 A746 | Q620-S624 WeakPolarHBondContact O-CB 3.4Å; Q620-S624 PolarHBondContact O-N 3.1Å; Q620-S624 PolarHBondContact O-OG 3.01Å; R621-S624 PolarHBondContact O-N 2.85Å; S624-Q626 VanDerWaalsContact C-N 3.3Å; S624-Q626 PolarHBondContact O-N 3.32Å; S624-L627 WeakPolarHBondContact O-CB 3.4Å; S624-L627 PolarHBondContact O-N 3.03Å; S624-L627 VanDerWaalsContact O-N 3.12Å; S624-A746 WeakPolarHBondContact OG-CB 3.19Å |
| 625 | E | 89.8 | Confident | 90 | Very high | 60 Ų | 60 | 62.8 Ų | 62.8 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 176.5 | -170.9 | 177.4 | 175.6 | 0 | 0 | 111.7 | R621 N622 L623 L627 L628 K630 H631 | R621-E625 WeakPolarHBondContact O-CB 3.25Å; R621-E625 PolarHBondContact O-N 3.33Å; N622-E625 PolarHBondContact O-N 3Å; L623-E625 VanDerWaalsContact C-N 3.31Å; L623-E625 PolarHBondContact O-N 3.41Å; E625-L627 PolarHBondContact O-N 3.44Å; E625-L627 VanDerWaalsContact O-N 3.1Å; E625-L628 HydrophobicContact CG-CD1 3.89Å; E625-L628 VanDerWaalsContact O-CB 3.29Å; E625-L628 WeakPolarHBondContact O-CB 3.29Å; E625-L628 VanDerWaalsContact O-CG 3.32Å; E625-L628 WeakPolarHBondContact O-CG 3.43Å; E625-L628 PolarHBondContact O-N 3.13Å; E625-K630 IonicContact OE1-NZ 3.31Å; E625-K630 PolarHBondContact OE1-NZ 3.45Å; E625-H631 PolarHBondContact O-CD2 3.27Å; E625-H631 PolarHBondContact O-NE2 3.32Å |
| 626 | Q | 89.4 | Confident | 89.7 | Confident | 85 Ų | 85 | 63 Ų | 63 | 40% | 0.397 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.4 | 177.9 | -64.3 | 175.1 | 26.8 | 0 | 0 | 113.3 | N622 L623 S624 L628 P661 | N622-Q626 WeakPolarHBondContact O-CG 3.43Å; N622-Q626 PolarHBondContact O-N 3.32Å; L623-Q626 WeakPolarHBondContact O-CB 3.19Å; L623-Q626 PolarHBondContact O-N 2.93Å; S624-Q626 VanDerWaalsContact C-N 3.3Å; S624-Q626 PolarHBondContact O-N 3.32Å; Q626-L628 VanDerWaalsContact C-N 3.34Å; Q626-P661 HydrophobicContact CB-CG 4.22Å |
| 627 | L | 90.3 | Very high | 89.3 | Confident | 124 Ų | 124 | 65.9 Ų | 65.9 | 65% | 0.649 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -8.2 | 176.9 | -55.3 | 178.1 | 0 | 0 | 0 | 113.1 | S624 E625 P661 | S624-L627 WeakPolarHBondContact O-CB 3.4Å; S624-L627 PolarHBondContact O-N 3.03Å; S624-L627 VanDerWaalsContact O-N 3.12Å; E625-L627 PolarHBondContact O-N 3.44Å; E625-L627 VanDerWaalsContact O-N 3.1Å; L627-P661 HydrophobicContact CD2-CB 3.79Å; L627-P661 HydrophobicContact CD2-CG 4.11Å |
| 628 | L | 89.3 | Confident | 88.7 | Confident | 29 Ų | 29 | 71.7 Ų | 71.7 | 15% | 0.152 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -66.2 | 145.4 | -178.3 | -68 | 175.2 | 0 | 0 | 0 | 112 | E625 Q626 K630 H631 E739 A742 | E625-L628 HydrophobicContact CG-CD1 3.89Å; E625-L628 VanDerWaalsContact O-CB 3.29Å; E625-L628 WeakPolarHBondContact O-CB 3.29Å; E625-L628 VanDerWaalsContact O-CG 3.32Å; E625-L628 WeakPolarHBondContact O-CG 3.43Å; E625-L628 PolarHBondContact O-N 3.13Å; Q626-L628 VanDerWaalsContact C-N 3.34Å; L628-K630 HydrophobicContact CB-CD 4.49Å; L628-K630 HydrophobicContact CB-CG 4.06Å; L628-K630 HydrophobicContact CD1-CD 4.41Å; L628-K630 PolarHBondContact O-N 3.25Å; L628-H631 PolarHBondContact O-N 3.14Å; L628-H631 VanDerWaalsContact O-N 3.07Å; L628-E739 HydrophobicContact CD1-CG 3.91Å; L628-A742 HydrophobicContact CD2-CB 4.42Å |
| 629 | P | 88.4 | Confident | 88.3 | Confident | 109 Ų | 109 | 73.2 Ų | 73.2 | 71% | 0.708 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -54 | -29.4 | -178.6 | -28.4 | 35.3 | 0 | 0 | 0 | 114.6 | H631 C632 | P629-H631 PolarHBondContact O-N 3.1Å; P629-H631 VanDerWaalsContact O-N 3.14Å; P629-C632 WeakPolarHBondContact O-CB 3.47Å; P629-C632 PolarHBondContact O-N 3.43Å |
| 630 | K | 85.2 | Confident | 87.6 | Confident | 79 Ų | 79 | 77.9 Ų | 77.9 | 34% | 0.343 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -54.1 | -33.1 | 178.2 | 68.7 | -174 | -177.6 | -174.4 | 0 | 113.1 | E625 L628 C632 A633 E739 | E625-K630 IonicContact OE1-NZ 3.31Å; E625-K630 PolarHBondContact OE1-NZ 3.45Å; L628-K630 HydrophobicContact CB-CD 4.49Å; L628-K630 HydrophobicContact CB-CG 4.06Å; L628-K630 HydrophobicContact CD1-CD 4.41Å; L628-K630 PolarHBondContact O-N 3.25Å; K630-C632 VanDerWaalsContact C-N 3.28Å; K630-C632 PolarHBondContact O-N 3.07Å; K630-A633 WeakPolarHBondContact O-CB 3.17Å; K630-A633 PolarHBondContact O-N 3.44Å; K630-E739 WeakPolarHBondContact CE-OE1 3.41Å; K630-E739 IonicContact NZ-OE1 2.71Å; K630-E739 PolarHBondContact NZ-OE1 3.34Å; K630-E739 IonicContact NZ-OE2 3.31Å |
| 631 | H | 86.8 | Confident | 86.6 | Confident | 64 Ų | 64 | 79 Ų | 79 | 30% | 0.296 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -75.2 | -15.1 | -179.9 | -64 | -66.4 | 0 | 0 | 0 | 113.6 | E625 L628 P629 A633 | E625-H631 PolarHBondContact O-CD2 3.27Å; E625-H631 PolarHBondContact O-NE2 3.32Å; L628-H631 PolarHBondContact O-N 3.14Å; L628-H631 VanDerWaalsContact O-N 3.07Å; P629-H631 PolarHBondContact O-N 3.1Å; P629-H631 VanDerWaalsContact O-N 3.14Å; H631-A633 VanDerWaalsContact C-N 3.33Å |
| 632 | C | 87.3 | Confident | 85.1 | Confident | 66 Ų | 66 | 84.5 Ų | 84.5 | 45% | 0.446 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -79.5 | -11.8 | 176.8 | -65.1 | 0 | 0 | 0 | 0 | 113.8 | P629 K630 T634 T635 I636 | P629-C632 WeakPolarHBondContact O-CB 3.47Å; P629-C632 PolarHBondContact O-N 3.43Å; K630-C632 VanDerWaalsContact C-N 3.28Å; K630-C632 PolarHBondContact O-N 3.07Å; C632-T634 VanDerWaalsContact C-N 3.3Å; C632-T634 PolarHBondContact O-N 2.84Å; C632-T635 WeakPolarHBondContact O-CB 3.45Å; C632-T635 PolarHBondContact O-N 3.07Å; C632-I636 PolarHBondContact O-N 2.89Å |
| 633 | A | 86.3 | Confident | 83.3 | Confident | 60 Ų | 60 | 90.6 Ų | 90.6 | 50% | 0.496 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.4 | -41 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K630 H631 T635 I636 S637 | K630-A633 WeakPolarHBondContact O-CB 3.17Å; K630-A633 PolarHBondContact O-N 3.44Å; H631-A633 VanDerWaalsContact C-N 3.33Å; A633-T635 VanDerWaalsContact C-N 3.35Å; A633-T635 PolarHBondContact O-N 2.92Å; A633-I636 PolarHBondContact O-N 3.39Å; A633-S637 WeakPolarHBondContact O-CB 3.3Å; A633-S637 PolarHBondContact O-N 2.9Å |
| 634 | T | 84 | Confident | 81.3 | Confident | 79 Ų | 79 | 93.4 Ų | 93.4 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 177.8 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | C632 S637 K638 | C632-T634 VanDerWaalsContact C-N 3.3Å; C632-T634 PolarHBondContact O-N 2.84Å; T634-S637 PolarHBondContact O-N 3.48Å; T634-K638 WeakPolarHBondContact O-CB 3.48Å; T634-K638 VanDerWaalsContact O-CG 3.26Å; T634-K638 WeakPolarHBondContact O-CG 3.48Å; T634-K638 PolarHBondContact O-N 3.4Å |
| 635 | T | 84.8 | Confident | 79.2 | Confident | 94 Ų | 94 | 95.7 Ų | 95.7 | 58% | 0.577 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -45 | 176.1 | -56 | 0 | 0 | 0 | 0 | 111.1 | C632 A633 K638 A639 | C632-T635 WeakPolarHBondContact O-CB 3.45Å; C632-T635 PolarHBondContact O-N 3.07Å; A633-T635 VanDerWaalsContact C-N 3.35Å; A633-T635 PolarHBondContact O-N 2.92Å; T635-K638 PolarHBondContact O-N 3.45Å; T635-A639 WeakPolarHBondContact O-CB 3.45Å; T635-A639 PolarHBondContact O-N 2.76Å |
| 636 | I | 87.8 | Confident | 77.1 | Confident | 115 Ų | 115 | 102.6 Ų | 102.6 | 59% | 0.59 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.2 | -45.7 | 177.2 | -63.4 | 172.6 | 0 | 0 | 0 | 110.6 | C632 A633 K638 A639 K640 | C632-I636 PolarHBondContact O-N 2.89Å; A633-I636 PolarHBondContact O-N 3.39Å; I636-K638 PolarHBondContact O-N 3.1Å; I636-A639 PolarHBondContact O-N 3.29Å; I636-K640 WeakPolarHBondContact O-CB 3.35Å; I636-K640 PolarHBondContact O-N 2.98Å |
| 637 | S | 86 | Confident | 75 | Confident | 61 Ų | 61 | 106.9 Ų | 106.9 | 43% | 0.427 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.7 | -46.1 | 177.2 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | A633 T634 A639 K640 N641 | A633-S637 WeakPolarHBondContact O-CB 3.3Å; A633-S637 PolarHBondContact O-N 2.9Å; T634-S637 PolarHBondContact O-N 3.48Å; S637-A639 VanDerWaalsContact C-N 3.34Å; S637-A639 PolarHBondContact O-N 3.09Å; S637-K640 PolarHBondContact O-N 3.43Å; S637-N641 WeakPolarHBondContact O-CB 3.35Å; S637-N641 VanDerWaalsContact O-CG 3.31Å; S637-N641 PolarHBondContact O-N 3.46Å; S637-N641 PolarHBondContact O-ND2 3.25Å |
| 638 | K | 83.1 | Confident | 72.7 | Confident | 121 Ų | 121 | 111.7 Ų | 111.7 | 53% | 0.526 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.5 | -40.1 | 174.3 | -74.8 | 175 | -179.8 | 180 | 0 | 112 | T634 T635 I636 K642 | T634-K638 WeakPolarHBondContact O-CB 3.48Å; T634-K638 VanDerWaalsContact O-CG 3.26Å; T634-K638 WeakPolarHBondContact O-CG 3.48Å; T634-K638 PolarHBondContact O-N 3.4Å; T635-K638 PolarHBondContact O-N 3.45Å; I636-K638 PolarHBondContact O-N 3.1Å; K638-K642 WeakPolarHBondContact O-CB 3.4Å; K638-K642 WeakPolarHBondContact O-CG 3.39Å; K638-K642 PolarHBondContact O-N 3.06Å; K638-K642 VanDerWaalsContact O-N 3.09Å |
| 639 | A | 83.8 | Confident | 70.3 | Confident | 62 Ų | 62 | 118.8 Ų | 118.8 | 51% | 0.512 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.7 | -40.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | T635 I636 S637 | T635-A639 WeakPolarHBondContact O-CB 3.45Å; T635-A639 PolarHBondContact O-N 2.76Å; I636-A639 PolarHBondContact O-N 3.29Å; S637-A639 VanDerWaalsContact C-N 3.34Å; S637-A639 PolarHBondContact O-N 3.09Å |
| 640 | K | 79.3 | Confident | 67.9 | Low | 159 Ų | 159 | 119.8 Ų | 119.8 | 69% | 0.691 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.9 | -44.1 | 177.4 | -169.5 | 176.7 | 178.9 | -179.9 | 0 | 111.4 | I636 S637 K642 K643 | I636-K640 WeakPolarHBondContact O-CB 3.35Å; I636-K640 PolarHBondContact O-N 2.98Å; S637-K640 PolarHBondContact O-N 3.43Å; K640-K642 PolarHBondContact O-N 2.75Å; K640-K643 PolarHBondContact O-N 2.61Å |
| 641 | N | 71.4 | Confident | 65.8 | Low | 81 Ų | 81 | 121.8 Ų | 121.8 | 43% | 0.433 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -73.1 | -24.6 | 179.9 | -67.6 | -17.8 | 0 | 0 | 0 | 113.1 | S637 K643 T644 V645 | S637-N641 WeakPolarHBondContact O-CB 3.35Å; S637-N641 VanDerWaalsContact O-CG 3.31Å; S637-N641 PolarHBondContact O-N 3.46Å; S637-N641 PolarHBondContact O-ND2 3.25Å; N641-K643 PolarHBondContact O-N 2.69Å; N641-T644 PolarHBondContact O-N 3.48Å; N641-T644 VanDerWaalsContact O-N 3.08Å; N641-T644 PolarHBondContact O-OG1 3.35Å; N641-V645 WeakPolarHBondContact O-CB 3.39Å; N641-V645 WeakPolarHBondContact O-CG2 3.48Å; N641-V645 PolarHBondContact O-N 3.08Å |
| 642 | K | 60.4 | Low | 63.5 | Low | 171 Ų | 171 | 130.5 Ų | 130.5 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -61.5 | -23.6 | 170.9 | -88.8 | -179.5 | 177.7 | -178.4 | 0 | 113.6 | K638 K640 | K638-K642 WeakPolarHBondContact O-CB 3.4Å; K638-K642 WeakPolarHBondContact O-CG 3.39Å; K638-K642 PolarHBondContact O-N 3.06Å; K638-K642 VanDerWaalsContact O-N 3.09Å; K640-K642 PolarHBondContact O-N 2.75Å |
| 643 | K | 53.7 | Low | 61.3 | Low | 198 Ų | 198 | 137.7 Ų | 137.7 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -23.8 | 173.4 | -78.7 | -174.6 | 176 | 179.6 | 0 | 113.4 | K640 N641 | K640-K643 PolarHBondContact O-N 2.61Å; N641-K643 PolarHBondContact O-N 2.69Å |
| 644 | T | 49.4 | Very low | 59.4 | Low | 108 Ų | 108 | 138.2 Ų | 138.2 | 66% | 0.663 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -20.8 | 179.7 | 10.4 | 0 | 0 | 0 | 0 | 113.5 | N641 K646 | N641-T644 PolarHBondContact O-N 3.48Å; N641-T644 VanDerWaalsContact O-N 3.08Å; N641-T644 PolarHBondContact O-OG1 3.35Å; T644-K646 PolarHBondContact O-N 3.13Å |
| 645 | V | 46.2 | Very low | 57.4 | Low | 84 Ų | 84 | 142.4 Ų | 142.4 | 51% | 0.509 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.7 | 47.3 | -175.5 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | N641 Q647 | N641-V645 WeakPolarHBondContact O-CB 3.39Å; N641-V645 WeakPolarHBondContact O-CG2 3.48Å; N641-V645 PolarHBondContact O-N 3.08Å; V645-Q647 VanDerWaalsContact C-N 3.26Å |
| 646 | K | 47.5 | Very low | 55.6 | Low | 206 Ų | 206 | 143.8 Ų | 143.8 | 90% | 0.896 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -6 | 158.7 | -98.5 | -171.9 | 178.7 | -177.9 | 0 | 112.7 | T644 | T644-K646 PolarHBondContact O-N 3.13Š|
| 647 | Q | 44.8 | Very low | 54.1 | Low | 175 Ų | 175 | 146.7 Ų | 146.7 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -133.4 | 121.4 | 170.2 | -77.9 | -178.8 | -3.6 | 0 | 0 | 110 | V645 | V645-Q647 VanDerWaalsContact C-N 3.26Š|
| 648 | R | 42 | Very low | 53 | Low | 225 Ų | 225 | 153.1 Ų | 153.1 | 85% | 0.849 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 89 | 118.7 | 169.2 | -64.4 | -177.6 | 166.9 | 178.9 | -3.2 | 118.3 | ||
| 649 | Q | 37.6 | Very low | 52.5 | Low | 178 Ų | 178 | 154 Ų | 154 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | 96.1 | 111.5 | 157.2 | -65.1 | -177.4 | 3.1 | 0 | 0 | 118 | ||||
| 650 | T | 39 | Very low | 52.6 | Low | 130 Ų | 130 | 159.3 Ų | 159.3 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | trans | -47.5 | 139 | 156.7 | 36.9 | 0 | 0 | 0 | 0 | 111.3 | R652 | T650-R652 PolarHBondContact O-N 2.97Š| ||
| 651 | P | 40.6 | Very low | 53.1 | Low | 120 Ų | 120 | 155.2 Ų | 155.2 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -65.3 | 131.9 | -177.9 | 26.9 | -32.6 | 0 | 0 | 0 | 110.7 | K653 | P651-K653 PolarHBondContact O-N 3.21Å; P651-K653 VanDerWaalsContact O-N 3.15Å | ||
| 652 | R | 40 | Very low | 54 | Low | 247 Ų | 247 | 152.6 Ų | 152.6 | 93% | 0.932 | 75% | 0.75 | S | S | * | * | trans | -62.1 | 112.3 | 167.7 | -81.6 | -179.1 | 172.3 | 176.6 | -2.7 | 108.4 | T650 G654 | T650-R652 PolarHBondContact O-N 2.97Å; R652-G654 PolarHBondContact O-N 2.58Å | ||
| 653 | K | 40.8 | Very low | 55.4 | Low | 217 Ų | 217 | 146.3 Ų | 146.3 | 94% | 0.943 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 118.4 | 163.9 | -92.7 | -179.8 | 169.9 | -179.9 | 0 | 108.1 | P651 | P651-K653 PolarHBondContact O-N 3.21Å; P651-K653 VanDerWaalsContact O-N 3.15Å |
| 654 | G | 46.1 | Very low | 57 | Low | 72 Ų | 72 | 141.6 Ų | 141.6 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154.7 | -15 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | R652 P656 | R652-G654 PolarHBondContact O-N 2.58Å; G654-P656 WeakPolarHBondContact O-CD 3.4Å |
| 655 | E | 41.6 | Very low | 59.1 | Low | 167 Ų | 167 | 140.6 Ų | 140.6 | 78% | 0.78 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 121.7 | 173.5 | -79.3 | -176.2 | 175.1 | 0 | 0 | 110.2 | E657 | E655-E657 PolarHBondContact O-N 2.79Š|
| 656 | P | 46.1 | Very low | 61.2 | Low | 122 Ų | 122 | 143.7 Ų | 143.7 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 122.8 | 171.4 | 24.4 | -29.9 | 0 | 0 | 0 | 108.2 | G654 R658 | G654-P656 WeakPolarHBondContact O-CD 3.4Å; P656-R658 PolarHBondContact O-N 2.71Å; P656-R658 VanDerWaalsContact O-N 3.15Å |
| 657 | E | 56.9 | Low | 63.2 | Low | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 116.1 | 174.5 | -157.7 | 167 | -160.6 | 0 | 0 | 107 | E655 D659 | E655-E657 PolarHBondContact O-N 2.79Å; E657-D659 PolarHBondContact O-N 3.48Å |
| 658 | R | 63.3 | Low | 65.4 | Low | 196 Ų | 196 | 140.5 Ų | 140.5 | 74% | 0.74 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 122.9 | 176 | -93.5 | -175.4 | 174 | 172.8 | -2.2 | 108.3 | P656 | P656-R658 PolarHBondContact O-N 2.71Å; P656-R658 VanDerWaalsContact O-N 3.15Å |
| 659 | D | 72.7 | Confident | 67.8 | Low | 140 Ų | 140 | 134.2 Ų | 134.2 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 140 | 173.6 | -74.4 | -39 | 0 | 0 | 0 | 109.7 | E657 A663 | E657-D659 PolarHBondContact O-N 3.48Å; D659-A663 HydrophobicContact CB-CB 4.05Å |
| 660 | K | 85.6 | Confident | 70.4 | Confident | 174 Ų | 174 | 136 Ų | 136 | 76% | 0.757 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 145.1 | 178.7 | -65.4 | -174.9 | -179.7 | 178.7 | 0 | 109.5 | G662 A663 | K660-G662 PolarHBondContact O-N 2.94Å; K660-A663 VanDerWaalsContact O-CB 3.25Å; K660-A663 WeakPolarHBondContact O-CB 3.43Å; K660-A663 PolarHBondContact O-N 2.92Å |
| 661 | P | 90.3 | Very high | 72.9 | Confident | 72 Ų | 72 | 134 Ų | 134 | 47% | 0.468 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -50.4 | 132.6 | 171.3 | -26.6 | 34.7 | 0 | 0 | 0 | 111.2 | Q626 L627 | Q626-P661 HydrophobicContact CB-CG 4.22Å; L627-P661 HydrophobicContact CD2-CB 3.79Å; L627-P661 HydrophobicContact CD2-CG 4.11Å |
| 662 | G | 89.3 | Confident | 75.3 | Confident | 26 Ų | 26 | 133.3 Ų | 133.3 | 27% | 0.268 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 103.1 | -17.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K660 E664 S665 H666 | K660-G662 PolarHBondContact O-N 2.94Å; G662-E664 VanDerWaalsContact C-N 3.31Å; G662-E664 VanDerWaalsContact CA-OE1 3.23Å; G662-E664 WeakPolarHBondContact CA-OE1 3.44Å; G662-E664 WeakPolarHBondContact CA-OE2 3.45Å; G662-E664 PolarHBondContact N-OE1 3.39Å; G662-E664 PolarHBondContact N-OE2 3.21Å; G662-E664 PolarHBondContact O-N 2.83Å; G662-S665 PolarHBondContact O-N 3.46Å; G662-H666 PolarHBondContact O-N 2.92Å; G662-H666 PolarHBondContact O-ND1 3Å |
| 663 | A | 89.6 | Confident | 77.7 | Confident | 40 Ų | 40 | 125.7 Ų | 125.7 | 33% | 0.331 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.4 | -35 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D659 K660 S665 H666 | D659-A663 HydrophobicContact CB-CB 4.05Å; K660-A663 VanDerWaalsContact O-CB 3.25Å; K660-A663 WeakPolarHBondContact O-CB 3.43Å; K660-A663 PolarHBondContact O-N 2.92Å; A663-S665 PolarHBondContact O-N 2.94Å; A663-H666 PolarHBondContact O-N 2.74Å |
| 664 | E | 88.8 | Confident | 80.2 | Confident | 98 Ų | 98 | 117.9 Ų | 117.9 | 46% | 0.458 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.1 | -26.3 | 175.4 | 74.3 | -60.2 | 140.2 | 0 | 0 | 112.8 | L623 G662 | L623-E664 HydrophobicContact CD2-CG 3.86Å; G662-E664 VanDerWaalsContact C-N 3.31Å; G662-E664 VanDerWaalsContact CA-OE1 3.23Å; G662-E664 WeakPolarHBondContact CA-OE1 3.44Å; G662-E664 WeakPolarHBondContact CA-OE2 3.45Å; G662-E664 PolarHBondContact N-OE1 3.39Å; G662-E664 PolarHBondContact N-OE2 3.21Å; G662-E664 PolarHBondContact O-N 2.83Å |
| 665 | S | 91.8 | Very high | 82.5 | Confident | 87 Ų | 87 | 118.6 Ų | 118.6 | 61% | 0.608 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -14.1 | 179.8 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | G662 A663 R667 | G662-S665 PolarHBondContact O-N 3.46Å; A663-S665 PolarHBondContact O-N 2.94Å; S665-R667 VanDerWaalsContact C-N 3.32Å; S665-R667 PolarHBondContact O-N 2.76Å |
| 666 | H | 90.3 | Very high | 84.9 | Confident | 150 Ų | 150 | 112.4 Ų | 112.4 | 69% | 0.694 | 57% | 0.569 | S | S | * | * | trans | -78.9 | 76.3 | 178.2 | -68.3 | 147.5 | 0 | 0 | 0 | 112.2 | G662 A663 K668 | G662-H666 PolarHBondContact O-N 2.92Å; G662-H666 PolarHBondContact O-ND1 3Å; A663-H666 PolarHBondContact O-N 2.74Å; H666-K668 PolarHBondContact O-N 3.21Å | ||
| 667 | R | 90.1 | Very high | 87.1 | Confident | 112 Ų | 112 | 108.7 Ų | 108.7 | 42% | 0.423 | 54% | 0.543 | S | S | . | . | trans | -68.4 | 124 | 179.2 | -173.2 | -179.4 | -56.9 | -85.6 | -7.7 | 112.2 | S665 I672 D677 | S665-R667 VanDerWaalsContact C-N 3.32Å; S665-R667 PolarHBondContact O-N 2.76Å; R667-I672 PolarHBondContact NH1-O 3.43Å; R667-I672 VanDerWaalsContact NH1-O 3.17Å; R667-D677 IonicContact CZ-OD1 2.76Å; R667-D677 VanDerWaalsContact CZ-OD1 3.31Å; R667-D677 IonicContact CZ-OD2 2.83Å; R667-D677 VanDerWaalsContact CZ-OD2 3.31Å; R667-D677 IonicContact NH1-OD1 3.43Å; R667-D677 PolarHBondContact NH1-OD1 3.28Å; R667-D677 IonicContact NH1-OD2 3.24Å; R667-D677 PolarHBondContact NH1-OD2 3.41Å; R667-D677 IonicContact NH2-OD1 2.75Å; R667-D677 PolarHBondContact NH2-OD1 3.14Å; R667-D677 IonicContact NH2-OD2 3.69Å; R667-D677 PolarHBondContact NH2-OD2 3.25Å | ||
| 668 | K | 91.2 | Very high | 88.9 | Confident | 202 Ų | 202 | 106 Ų | 106 | 88% | 0.878 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -86.1 | -39.9 | 173.9 | -63.1 | 179.7 | -178.2 | 174.2 | 0 | 113.2 | H666 | H666-K668 PolarHBondContact O-N 3.21Š|
| 669 | N | 92.4 | Very high | 90.4 | Very high | 92 Ų | 92 | 97.2 Ų | 97.2 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | trans | -150.1 | 142.5 | -178 | -167.5 | -22.7 | 0 | 0 | 0 | 110.2 | S671 I672 | N669-S671 VanDerWaalsContact C-N 3.3Å; N669-S671 VanDerWaalsContact CG-OG 3.24Å; N669-S671 PolarHBondContact ND2-OG 3.34Å; N669-S671 PolarHBondContact OD1-N 3.25Å; N669-S671 PolarHBondContact OD1-OG 2.96Å; N669-I672 HydrophobicContact CB-CD1 4.48Å; N669-I672 PolarHBondContact O-N 3.44Å | ||
| 670 | R | 91.8 | Very high | 91.3 | Very high | 215 Ų | 215 | 94.2 Ų | 94.2 | 81% | 0.811 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -17.8 | 176.6 | -69.7 | -176.2 | -179.4 | -107.1 | 2.2 | 113.6 | I672 | R670-I672 PolarHBondContact O-N 3.23Š|
| 671 | S | 91.3 | Very high | 91.6 | Very high | 89 Ų | 89 | 89.8 Ų | 89.8 | 62% | 0.622 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.4 | 172.5 | 67.8 | 0 | 0 | 0 | 0 | 113.1 | N669 V673 | N669-S671 VanDerWaalsContact C-N 3.3Å; N669-S671 VanDerWaalsContact CG-OG 3.24Å; N669-S671 PolarHBondContact ND2-OG 3.34Å; N669-S671 PolarHBondContact OD1-N 3.25Å; N669-S671 PolarHBondContact OD1-OG 2.96Å; S671-V673 PolarHBondContact O-N 3.1Å |
| 672 | I | 90.6 | Very high | 91.8 | Very high | 106 Ų | 106 | 88.5 Ų | 88.5 | 54% | 0.544 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -87.5 | 98.7 | 173.2 | -56.8 | 171 | 0 | 0 | 0 | 107 | R667 N669 R670 | R667-I672 PolarHBondContact NH1-O 3.43Å; R667-I672 VanDerWaalsContact NH1-O 3.17Å; N669-I672 HydrophobicContact CB-CD1 4.48Å; N669-I672 PolarHBondContact O-N 3.44Å; R670-I672 PolarHBondContact O-N 3.23Å |
| 673 | V | 91.9 | Very high | 92.1 | Very high | 86 Ų | 86 | 87.6 Ų | 87.6 | 52% | 0.521 | 44% | 0.44 | S | S | . | . | trans | -89.5 | 113.5 | -179 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | S671 D677 K678 | S671-V673 PolarHBondContact O-N 3.1Å; V673-D677 HydrophobicContact CG1-CB 3.78Å; V673-K678 HydrophobicContact CG1-CG 3.68Å | ||
| 674 | T | 93.3 | Very high | 92.2 | Very high | 54 Ų | 54 | 89.5 Ų | 89.5 | 33% | 0.331 | 45% | 0.447 | S | S | . | . | trans | -80.1 | 169.1 | 175 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | M676 D677 K678 | T674-M676 VanDerWaalsContact C-N 3.3Å; T674-M676 PolarHBondContact O-N 3.42Å; T674-D677 WeakPolarHBondContact CB-OD2 3.38Å; T674-D677 PolarHBondContact N-OD2 2.96Å; T674-D677 WeakPolarHBondContact O-CB 3.49Å; T674-D677 PolarHBondContact O-N 2.99Å; T674-D677 PolarHBondContact OG1-N 3.33Å; T674-D677 VanDerWaalsContact OG1-N 3.15Å; T674-D677 PolarHBondContact OG1-OD2 3.23Å; T674-K678 PolarHBondContact O-N 3.48Å | ||
| 675 | N | 93 | Very high | 92.5 | Very high | 86 Ų | 86 | 86.1 Ų | 86.1 | 46% | 0.46 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 172 | -168.8 | 43.2 | 0 | 0 | 0 | 111.2 | E619 D677 K678 L679 | E619-N675 PolarHBondContact OE1-ND2 2.82Å; E619-N675 VanDerWaalsContact OE1-ND2 3.07Å; N675-D677 VanDerWaalsContact C-N 3.25Å; N675-D677 PolarHBondContact O-N 2.87Å; N675-K678 WeakPolarHBondContact O-CB 3.47Å; N675-K678 PolarHBondContact O-N 3.24Å; N675-K678 VanDerWaalsContact O-N 3.09Å; N675-L679 PolarHBondContact O-N 3.45Å |
| 676 | M | 92.6 | Very high | 92.7 | Very high | 38 Ų | 38 | 82.1 Ų | 82.1 | 19% | 0.187 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.9 | -34.6 | 176.9 | -69.4 | -58.4 | -71.7 | 0 | 0 | 112.9 | I616 E619 T674 L679 H680 | I616-M676 HydrophobicContact CG2-CE 3.71Å; E619-M676 HydrophobicContact CB-CE 4.24Å; E619-M676 HydrophobicContact CB-SD 3.34Å; E619-M676 WeakPolarHBondContact CB-SD 3.38Å; E619-M676 HydrophobicContact CG-SD 3.67Å; T674-M676 VanDerWaalsContact C-N 3.3Å; T674-M676 PolarHBondContact O-N 3.42Å; M676-L679 HydrophobicContact SD-CD1 4.36Å; M676-H680 VanDerWaalsContact CE-CE1 3.42Å; M676-H680 WeakPolarHBondContact CE-CE1 3.2Å; M676-H680 WeakPolarHBondContact O-CB 3.47Å; M676-H680 PolarHBondContact O-N 3.42Å; M676-H680 PolarHBondContact O-ND1 3.26Å |
| 677 | D | 93.6 | Very high | 92.8 | Very high | 44 Ų | 44 | 75.4 Ų | 75.4 | 24% | 0.235 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 175.8 | -67.4 | -49 | 0 | 0 | 0 | 112.3 | R667 V673 T674 N675 L681 | R667-D677 IonicContact CZ-OD1 2.76Å; R667-D677 VanDerWaalsContact CZ-OD1 3.31Å; R667-D677 IonicContact CZ-OD2 2.83Å; R667-D677 VanDerWaalsContact CZ-OD2 3.31Å; R667-D677 IonicContact NH1-OD1 3.43Å; R667-D677 PolarHBondContact NH1-OD1 3.28Å; R667-D677 IonicContact NH1-OD2 3.24Å; R667-D677 PolarHBondContact NH1-OD2 3.41Å; R667-D677 IonicContact NH2-OD1 2.75Å; R667-D677 PolarHBondContact NH2-OD1 3.14Å; R667-D677 IonicContact NH2-OD2 3.69Å; R667-D677 PolarHBondContact NH2-OD2 3.25Å; V673-D677 HydrophobicContact CG1-CB 3.78Å; T674-D677 WeakPolarHBondContact CB-OD2 3.38Å; T674-D677 PolarHBondContact N-OD2 2.96Å; T674-D677 WeakPolarHBondContact O-CB 3.49Å; T674-D677 PolarHBondContact O-N 2.99Å; T674-D677 PolarHBondContact OG1-N 3.33Å; T674-D677 VanDerWaalsContact OG1-N 3.15Å; T674-D677 PolarHBondContact OG1-OD2 3.23Å; N675-D677 VanDerWaalsContact C-N 3.25Å; N675-D677 PolarHBondContact O-N 2.87Å; D677-L681 WeakPolarHBondContact O-CB 3.22Å; D677-L681 PolarHBondContact O-N 3.46Å |
| 678 | K | 94 | Very high | 92.9 | Very high | 119 Ų | 119 | 74.1 Ų | 74.1 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 177.8 | -63.6 | 179.2 | -179.5 | -179.9 | 0 | 110.8 | V673 T674 N675 L681 N682 | V673-K678 HydrophobicContact CG1-CG 3.68Å; T674-K678 PolarHBondContact O-N 3.48Å; N675-K678 WeakPolarHBondContact O-CB 3.47Å; N675-K678 PolarHBondContact O-N 3.24Å; N675-K678 VanDerWaalsContact O-N 3.09Å; K678-L681 PolarHBondContact O-N 3.16Å; K678-N682 PolarHBondContact O-N 3.22Å; K678-N682 PolarHBondContact O-OD1 2.65Å |
| 679 | L | 93.7 | Very high | 93 | Very high | 11 Ų | 11 | 64.5 Ų | 64.5 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 178.6 | -67.4 | 174.8 | 0 | 0 | 0 | 111.8 | C612 E615 I616 E619 N675 M676 L681 N682 L683 | C612-L679 PolarHBondContact SG-O 3Å; C612-L679 VanDerWaalsContact SG-O 3.38Å; E615-L679 HydrophobicContact CB-CD1 4.34Å; E615-L679 HydrophobicContact CB-CD2 4.21Å; E615-L679 VanDerWaalsContact OE2-CD2 3.26Å; E615-L679 WeakPolarHBondContact OE2-CD2 3.39Å; I616-L679 HydrophobicContact CD1-CB 3.92Å; I616-L679 HydrophobicContact CG1-CB 3.55Å; I616-L679 HydrophobicContact CG1-CD1 3.96Å; I616-L679 HydrophobicContact CG1-CG 4.3Å; E619-L679 HydrophobicContact CG-CD1 4.31Å; N675-L679 PolarHBondContact O-N 3.45Å; M676-L679 HydrophobicContact SD-CD1 4.36Å; L679-L681 PolarHBondContact O-N 3.5Å; L679-N682 PolarHBondContact O-N 2.82Å; L679-L683 WeakPolarHBondContact O-CB 3.16Å; L679-L683 PolarHBondContact O-N 2.8Å |
| 680 | H | 91.6 | Very high | 93 | Very high | 77 Ų | 77 | 60.2 Ų | 60.2 | 36% | 0.356 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.9 | -37.5 | 176.9 | -78.6 | 91.9 | 0 | 0 | 0 | 112.7 | M676 T684 | M676-H680 VanDerWaalsContact CE-CE1 3.42Å; M676-H680 WeakPolarHBondContact CE-CE1 3.2Å; M676-H680 WeakPolarHBondContact O-CB 3.47Å; M676-H680 PolarHBondContact O-N 3.42Å; M676-H680 PolarHBondContact O-ND1 3.26Å; H680-T684 WeakPolarHBondContact O-CB 3.42Å; H680-T684 PolarHBondContact O-N 2.88Å; H680-T684 PolarHBondContact O-OG1 3.4Å |
| 681 | L | 93.6 | Very high | 92.9 | Very high | 82 Ų | 82 | 54.2 Ų | 54.2 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.7 | -52.9 | 173.8 | 178.6 | 64 | 0 | 0 | 0 | 110.2 | P559 D677 K678 L679 L683 T684 E685 | P559-L681 HydrophobicContact CB-CD2 4.38Å; D677-L681 WeakPolarHBondContact O-CB 3.22Å; D677-L681 PolarHBondContact O-N 3.46Å; K678-L681 PolarHBondContact O-N 3.16Å; L679-L681 PolarHBondContact O-N 3.5Å; L681-L683 VanDerWaalsContact C-N 3.34Å; L681-L683 PolarHBondContact O-N 2.78Å; L681-T684 WeakPolarHBondContact O-CB 3.29Å; L681-T684 PolarHBondContact O-N 3.27Å; L681-T684 VanDerWaalsContact O-N 3.11Å; L681-E685 HydrophobicContact CD1-CG 4.25Å; L681-E685 WeakPolarHBondContact O-CG 3.45Å; L681-E685 PolarHBondContact O-N 3.49Å |
| 682 | N | 94.6 | Very high | 93 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 24% | 0.235 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 178.9 | -71.5 | 4.4 | 0 | 0 | 0 | 111.7 | P559 L562 K678 L679 T684 E685 L686 | P559-N682 VanDerWaalsContact CB-OD1 3.29Å; P559-N682 WeakPolarHBondContact CB-OD1 3.2Å; P559-N682 WeakPolarHBondContact CG-OD1 3.48Å; L562-N682 HydrophobicContact CD1-CB 4.2Å; K678-N682 PolarHBondContact O-N 3.22Å; K678-N682 PolarHBondContact O-OD1 2.65Å; L679-N682 PolarHBondContact O-N 2.82Å; N682-T684 VanDerWaalsContact C-N 3.3Å; N682-T684 PolarHBondContact O-N 2.97Å; N682-E685 PolarHBondContact O-N 2.98Å; N682-L686 WeakPolarHBondContact O-CB 3.09Å; N682-L686 WeakPolarHBondContact O-CG 3.36Å; N682-L686 PolarHBondContact O-N 3.48Å |
| 683 | L | 93.9 | Very high | 93 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 177.6 | -179.5 | 59.6 | 0 | 0 | 0 | 111.8 | T609 V613 I616 L679 L681 A687 F750 L754 L758 | T609-L683 HydrophobicContact CG2-CD1 4.31Å; V613-L683 HydrophobicContact CG2-CD1 3.54Å; V613-L683 HydrophobicContact CG2-CD2 4.33Å; I616-L683 HydrophobicContact CD1-CB 4.05Å; I616-L683 HydrophobicContact CD1-CD2 3.61Å; I616-L683 HydrophobicContact CD1-CG 4.44Å; L679-L683 WeakPolarHBondContact O-CB 3.16Å; L679-L683 PolarHBondContact O-N 2.8Å; L681-L683 VanDerWaalsContact C-N 3.34Å; L681-L683 PolarHBondContact O-N 2.78Å; L683-A687 WeakPolarHBondContact O-CB 3.22Å; L683-A687 PolarHBondContact O-N 3.3Å; L683-F750 HydrophobicContact CD2-CZ 3.99Å; L683-L754 HydrophobicContact CD2-CD1 3.8Å; L683-L754 HydrophobicContact CD2-CD2 3.72Å; L683-L754 HydrophobicContact CD2-CG 4.43Å; L683-L758 HydrophobicContact CD1-CD2 4.1Å |
| 684 | T | 93.4 | Very high | 93 | Very high | 79 Ų | 79 | 53.7 Ų | 53.7 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.7 | -48.3 | 178.3 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | H680 L681 N682 L686 A687 L688 | H680-T684 WeakPolarHBondContact O-CB 3.42Å; H680-T684 PolarHBondContact O-N 2.88Å; H680-T684 PolarHBondContact O-OG1 3.4Å; L681-T684 WeakPolarHBondContact O-CB 3.29Å; L681-T684 PolarHBondContact O-N 3.27Å; L681-T684 VanDerWaalsContact O-N 3.11Å; N682-T684 VanDerWaalsContact C-N 3.3Å; N682-T684 PolarHBondContact O-N 2.97Å; T684-L686 PolarHBondContact O-N 3.08Å; T684-A687 PolarHBondContact O-N 3.07Å; T684-L688 WeakPolarHBondContact O-CG 3.49Å; T684-L688 PolarHBondContact O-N 3.24Å |
| 685 | E | 95.1 | Very high | 93.1 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.9 | -38.2 | -179.1 | -57.2 | -69.3 | -168.8 | 0 | 0 | 111.4 | L562 R563 L681 N682 L688 T689 | L562-E685 HydrophobicContact CB-CB 3.78Å; R563-E685 WeakPolarHBondContact CA-O 3.48Å; R563-E685 HydrophobicContact CB-CB 4.24Å; R563-E685 VanDerWaalsContact CB-OE2 3.23Å; R563-E685 WeakPolarHBondContact CB-OE2 3.16Å; R563-E685 WeakPolarHBondContact CD-OE2 3.42Å; L681-E685 HydrophobicContact CD1-CG 4.25Å; L681-E685 WeakPolarHBondContact O-CG 3.45Å; L681-E685 PolarHBondContact O-N 3.49Å; N682-E685 PolarHBondContact O-N 2.98Å; E685-L688 PolarHBondContact O-N 3.37Å; E685-T689 PolarHBondContact O-N 3.06Å; E685-T689 VanDerWaalsContact O-N 3.15Å |
| 686 | L | 94.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68 | -39.2 | 173.9 | -73.7 | 169.9 | 0 | 0 | 0 | 112.8 | L562 L605 Q608 T609 C612 N682 T684 L688 T689 M690 | L562-L686 HydrophobicContact CB-CD2 4.27Å; L562-L686 HydrophobicContact CB-CG 4.4Å; L562-L686 HydrophobicContact CD1-CD1 4.42Å; L562-L686 HydrophobicContact CD1-CD2 4.38Å; L562-L686 HydrophobicContact CD1-CG 4.05Å; L562-L686 HydrophobicContact CD2-CD2 4.1Å; L562-L686 HydrophobicContact CG-CD2 4.49Å; L605-L686 HydrophobicContact CD2-CD2 4.49Å; Q608-L686 HydrophobicContact CB-CD1 4.47Å; T609-L686 HydrophobicContact CG2-CB 4.38Å; C612-L686 HydrophobicContact CB-CD1 4.48Å; N682-L686 WeakPolarHBondContact O-CB 3.09Å; N682-L686 WeakPolarHBondContact O-CG 3.36Å; N682-L686 PolarHBondContact O-N 3.48Å; T684-L686 PolarHBondContact O-N 3.08Å; L686-L688 VanDerWaalsContact C-N 3.33Å; L686-L688 PolarHBondContact O-N 2.97Å; L686-T689 WeakPolarHBondContact O-CB 3.26Å; L686-T689 PolarHBondContact O-N 3.31Å; L686-M690 WeakPolarHBondContact O-CG 3.31Å; L686-M690 PolarHBondContact O-N 3.11Å |
| 687 | A | 92.4 | Very high | 93.3 | Very high | 8 Ų | 8 | 51.5 Ų | 51.5 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | L683 T684 T689 M690 N691 L758 | L683-A687 WeakPolarHBondContact O-CB 3.22Å; L683-A687 PolarHBondContact O-N 3.3Å; T684-A687 PolarHBondContact O-N 3.07Å; A687-T689 VanDerWaalsContact C-N 3.31Å; A687-T689 PolarHBondContact O-N 2.99Å; A687-M690 PolarHBondContact O-N 3.44Å; A687-N691 VanDerWaalsContact O-CB 3.25Å; A687-N691 WeakPolarHBondContact O-CB 3.42Å; A687-N691 PolarHBondContact O-N 2.87Å; A687-L758 HydrophobicContact CB-CD2 3.8Å |
| 688 | L | 92.6 | Very high | 93.3 | Very high | 86 Ų | 86 | 49.4 Ų | 49.4 | 45% | 0.45 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 172.9 | -70.8 | 174.3 | 0 | 0 | 0 | 111.5 | T684 E685 L686 H692 | T684-L688 WeakPolarHBondContact O-CG 3.49Å; T684-L688 PolarHBondContact O-N 3.24Å; E685-L688 PolarHBondContact O-N 3.37Å; L686-L688 VanDerWaalsContact C-N 3.33Å; L686-L688 PolarHBondContact O-N 2.97Å; L688-H692 WeakPolarHBondContact O-CB 3.38Å; L688-H692 PolarHBondContact O-N 3.47Å; L688-H692 VanDerWaalsContact O-N 3.07Å |
| 689 | T | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.6 | -50.7 | 175.4 | -86.1 | 0 | 0 | 0 | 0 | 112.6 | L562 R563 A565 I566 L605 E685 L686 A687 N691 H692 | L562-T689 PolarHBondContact O-OG1 3.28Å; R563-T689 VanDerWaalsContact CA-OG1 3.25Å; R563-T689 WeakPolarHBondContact CA-OG1 3.47Å; R563-T689 PolarHBondContact O-OG1 3.39Å; R563-T689 VanDerWaalsContact O-OG1 3.14Å; A565-T689 HydrophobicContact CB-CG2 4.23Å; I566-T689 HydrophobicContact CB-CG2 4.02Å; L605-T689 HydrophobicContact CD1-CG2 3.87Å; L605-T689 HydrophobicContact CD2-CG2 4.07Å; E685-T689 PolarHBondContact O-N 3.06Å; E685-T689 VanDerWaalsContact O-N 3.15Å; L686-T689 WeakPolarHBondContact O-CB 3.26Å; L686-T689 PolarHBondContact O-N 3.31Å; A687-T689 VanDerWaalsContact C-N 3.31Å; A687-T689 PolarHBondContact O-N 2.99Å; T689-N691 VanDerWaalsContact C-N 3.3Å; T689-N691 PolarHBondContact O-N 3.16Å; T689-H692 WeakPolarHBondContact O-CB 3.49Å; T689-H692 PolarHBondContact O-N 3.19Å |
| 690 | M | 91.6 | Very high | 93 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.8 | -28.2 | -175.9 | -68.4 | -56.3 | -73.8 | 0 | 0 | 113.1 | L605 A606 L686 A687 P705 L709 | L605-M690 HydrophobicContact CB-SD 3.73Å; L605-M690 HydrophobicContact CD1-SD 4.47Å; A606-M690 HydrophobicContact CB-CE 4.22Å; L686-M690 WeakPolarHBondContact O-CG 3.31Å; L686-M690 PolarHBondContact O-N 3.11Å; A687-M690 PolarHBondContact O-N 3.44Å; M690-P705 HydrophobicContact CE-CB 4.2Å; M690-P705 WeakPolarHBondContact CE-O 3.47Å; M690-L709 HydrophobicContact CB-CD2 4.49Å; M690-L709 HydrophobicContact CE-CB 3.83Å |
| 691 | N | 90.9 | Very high | 93.1 | Very high | 89 Ų | 89 | 51.4 Ų | 51.4 | 48% | 0.476 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 4.4 | 179.6 | -161.5 | 30.3 | 0 | 0 | 0 | 113.2 | A687 T689 V693 | A687-N691 VanDerWaalsContact O-CB 3.25Å; A687-N691 WeakPolarHBondContact O-CB 3.42Å; A687-N691 PolarHBondContact O-N 2.87Å; T689-N691 VanDerWaalsContact C-N 3.3Å; T689-N691 PolarHBondContact O-N 3.16Å; N691-V693 PolarHBondContact O-N 3.24Å |
| 692 | H | 92.1 | Very high | 93.3 | Very high | 55 Ų | 55 | 50.9 Ų | 50.9 | 26% | 0.255 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -64 | -41.1 | -177 | 179.9 | 58.7 | 0 | 0 | 0 | 112.3 | F409 E413 I566 L688 T689 | F409-H692 AromaticContact CE2-CD2 3.71Å; F409-H692 AromaticContact CE2-CE1 3.48Å; F409-H692 VanDerWaalsContact CE2-CE1 3.48Å; F409-H692 WeakPolarHBondContact CE2-CE1 3.29Å; F409-H692 AromaticContact CE2-CG 3.94Å; F409-H692 AromaticContact CE2-ND1 3.79Å; F409-H692 AromaticContact CE2-NE2 3.42Å; F409-H692 WeakPolarHBondContact CE2-NE2 3.24Å; F409-H692 AromaticContact CZ-CE1 3.41Å; F409-H692 VanDerWaalsContact CZ-CE1 3.41Å; F409-H692 WeakPolarHBondContact CZ-CE1 3.4Å; F409-H692 AromaticContact CZ-ND1 3.81Å; F409-H692 AromaticContact CZ-NE2 3.81Å; E413-H692 VanDerWaalsContact CD-CE1 3.44Å; E413-H692 IonicContact OE1-CE1 3.3Å; E413-H692 PolarHBondContact OE1-CE1 3.49Å; E413-H692 IonicContact OE1-NE2 3.61Å; E413-H692 PolarHBondContact OE1-NE2 3.04Å; E413-H692 IonicContact OE2-CE1 3.94Å; I566-H692 HydrophobicContact CG1-CB 4.35Å; I566-H692 HydrophobicContact CG2-CB 3.96Å; I566-H692 VanDerWaalsContact CG2-CD2 3.46Å; I566-H692 WeakPolarHBondContact CG2-CD2 3.5Å; L688-H692 WeakPolarHBondContact O-CB 3.38Å; L688-H692 PolarHBondContact O-N 3.47Å; L688-H692 VanDerWaalsContact O-N 3.07Å; T689-H692 WeakPolarHBondContact O-CB 3.49Å; T689-H692 PolarHBondContact O-N 3.19Å |
| 693 | V | 91.8 | Very high | 93.3 | Very high | 37 Ų | 37 | 49.5 Ų | 49.5 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | trans | -131.2 | 132.2 | -178.3 | -151.9 | 0 | 0 | 0 | 0 | 109.9 | I566 L570 N691 S695 | I566-V693 HydrophobicContact CG1-CG2 4.26Å; L570-V693 HydrophobicContact CD1-CG2 4.1Å; L570-V693 HydrophobicContact CD2-CG2 4.17Å; N691-V693 PolarHBondContact O-N 3.24Å; V693-S695 WeakPolarHBondContact CG1-O 3.28Å | ||
| 694 | Y | 91.1 | Very high | 93.3 | Very high | 178 Ų | 178 | 52.7 Ų | 52.7 | 70% | 0.698 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -67.2 | -47.7 | 176.4 | 179.6 | -105 | 0 | 0 | 0 | 111.8 | F704 | Y694-F704 HydrophobicContact CD1-CE1 4.37Å; Y694-F704 HydrophobicContact CE1-CD1 4.21Å; Y694-F704 AromaticContact CE1-CE1 3.8Å; Y694-F704 HydrophobicContact CE1-CE1 3.8Å |
| 695 | S | 94.5 | Very high | 93.3 | Very high | 43 Ų | 43 | 48.9 Ų | 48.9 | 30% | 0.301 | 25% | 0.247 | S | C | . | . | trans | -157.1 | 157.8 | 174.4 | 65.5 | 0 | 0 | 0 | 0 | 111.5 | V693 L703 | V693-S695 WeakPolarHBondContact CG1-O 3.28Å; S695-L703 WeakPolarHBondContact CA-O 3.4Å; S695-L703 VanDerWaalsContact CB-O 3.32Å; S695-L703 WeakPolarHBondContact CB-O 3.29Å | ||
| 696 | F | 95.3 | Very high | 93.1 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 9% | 0.088 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 164.5 | 172.3 | 64.3 | -80.7 | 0 | 0 | 0 | 109.9 | P569 L570 L602 V698 T702 L703 P705 | P569-F696 HydrophobicContact CB-CZ 3.94Å; P569-F696 WeakPolarHBondContact O-CE2 3.41Å; L570-F696 HydrophobicContact CD2-CB 3.97Å; L570-F696 HydrophobicContact CD2-CD1 3.9Å; L570-F696 HydrophobicContact CD2-CD2 3.99Å; L570-F696 HydrophobicContact CD2-CE1 4.42Å; L570-F696 HydrophobicContact CD2-CE2 4.48Å; L570-F696 HydrophobicContact CD2-CG 3.68Å; L602-F696 HydrophobicContact CD1-CE1 4.46Å; L602-F696 HydrophobicContact CD1-CZ 4.17Å; F696-V698 HydrophobicContact CD2-CG2 3.85Å; F696-V698 HydrophobicContact CE2-CG2 3.56Å; F696-T702 WeakPolarHBondContact O-CA 3.5Å; F696-L703 HydrophobicContact CE1-CB 4.32Å; F696-L703 HydrophobicContact CE2-CD1 4.07Å; F696-L703 HydrophobicContact CZ-CB 4.24Å; F696-L703 HydrophobicContact CZ-CD1 4.07Å; F696-L703 PolarHBondContact N-O 3.46Å; F696-L703 PolarHBondContact O-N 3.42Å; F696-P705 HydrophobicContact CE1-CG 4.02Å |
| 697 | S | 94.8 | Very high | 93 | Very high | 69 Ų | 69 | 52.6 Ų | 52.6 | 48% | 0.483 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.9 | -176.1 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | A573 H701 | A573-S697 WeakPolarHBondContact CB-O 2.85Å; S697-H701 CarbonylContact C-O 3.57Å; S697-H701 WeakPolarHBondContact CA-O 3.36Å |
| 698 | V | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 119.1 | 173.5 | 178.1 | 0 | 0 | 0 | 0 | 107.7 | C572 A573 L595 F696 E700 H701 L703 | C572-V698 HydrophobicContact CB-CG1 4.39Å; C572-V698 HydrophobicContact CB-CG2 4.37Å; A573-V698 HydrophobicContact CB-CG2 4.17Å; L595-V698 HydrophobicContact CD2-CB 3.97Å; L595-V698 HydrophobicContact CD2-CG1 3.86Å; L595-V698 WeakPolarHBondContact CD2-O 3.34Å; L595-V698 HydrophobicContact CG-CG1 4.43Å; F696-V698 HydrophobicContact CD2-CG2 3.85Å; F696-V698 HydrophobicContact CE2-CG2 3.56Å; V698-E700 VanDerWaalsContact C-N 3.27Å; V698-E700 PolarHBondContact O-N 3.37Å; V698-H701 PolarHBondContact N-O 2.98Å; V698-H701 WeakPolarHBondContact O-CB 3.43Å; V698-H701 PolarHBondContact O-N 3.4Å; V698-L703 HydrophobicContact CB-CD1 4.34Å; V698-L703 HydrophobicContact CG2-CD1 4.05Å |
| 699 | F | 90.9 | Very high | 93.2 | Very high | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 43.2 | 51.9 | -176.3 | -70.1 | -87.1 | 0 | 0 | 0 | 113.3 | F575 V576 Y587 L590 K591 H701 | F575-F699 HydrophobicContact CB-CE2 3.7Å; F575-F699 HydrophobicContact CB-CZ 4.01Å; V576-F699 HydrophobicContact CB-CD1 4.1Å; V576-F699 HydrophobicContact CB-CE1 3.86Å; V576-F699 HydrophobicContact CB-CZ 4.15Å; V576-F699 HydrophobicContact CG2-CD1 3.97Å; V576-F699 HydrophobicContact CG2-CE1 3.91Å; Y587-F699 HydrophobicContact CD2-CD1 4.47Å; Y587-F699 HydrophobicContact CD2-CE1 4.21Å; Y587-F699 AromaticContact CE2-CD1 3.7Å; Y587-F699 HydrophobicContact CE2-CD1 3.7Å; Y587-F699 AromaticContact CE2-CE1 3.83Å; Y587-F699 HydrophobicContact CE2-CE1 3.83Å; Y587-F699 AromaticContact CZ-CD1 3.89Å; L590-F699 HydrophobicContact CB-CZ 4.07Å; K591-F699 HydrophobicContact CB-CB 4.18Å; K591-F699 HydrophobicContact CB-CD1 3.78Å; K591-F699 HydrophobicContact CB-CD2 4.41Å; K591-F699 HydrophobicContact CB-CE1 4.18Å; K591-F699 HydrophobicContact CB-CG 3.9Å; K591-F699 HydrophobicContact CD-CB 4Å; K591-F699 WeakPolarHBondContact CE-O 3.26Å; K591-F699 HydrophobicContact CG-CB 3.66Å; K591-F699 HydrophobicContact CG-CD1 4.2Å; K591-F699 HydrophobicContact CG-CG 3.95Å; F699-H701 PolarHBondContact O-N 3.49Å; F699-H701 VanDerWaalsContact O-N 3.15Å; F699-H701 PolarHBondContact O-ND1 3.28Å |
| 700 | E | 90 | Very high | 93.1 | Very high | 156 Ų | 156 | 50.5 Ų | 50.5 | 73% | 0.729 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 1.2 | 179.8 | -49.2 | 167.5 | 147.6 | 0 | 0 | 115.7 | K591 V698 | K591-E700 IonicContact NZ-OE2 3.41Å; V698-E700 VanDerWaalsContact C-N 3.27Å; V698-E700 PolarHBondContact O-N 3.37Å |
| 701 | H | 94.1 | Very high | 93.1 | Very high | 84 Ų | 84 | 54.2 Ų | 54.2 | 39% | 0.389 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130 | 173.6 | -66 | 59.2 | 0 | 0 | 0 | 109.6 | K591 L595 S697 V698 F699 | K591-H701 WeakPolarHBondContact CE-CE1 3.36Å; L595-H701 HydrophobicContact CD2-CB 3.77Å; S697-H701 CarbonylContact C-O 3.57Å; S697-H701 WeakPolarHBondContact CA-O 3.36Å; V698-H701 PolarHBondContact N-O 2.98Å; V698-H701 WeakPolarHBondContact O-CB 3.43Å; V698-H701 PolarHBondContact O-N 3.4Å; F699-H701 PolarHBondContact O-N 3.49Å; F699-H701 VanDerWaalsContact O-N 3.15Å; F699-H701 PolarHBondContact O-ND1 3.28Å |
| 702 | T | 96.3 | Very high | 93.1 | Very high | 72 Ų | 72 | 52.6 Ų | 52.6 | 44% | 0.442 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 124.8 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 109.5 | F696 F704 | F696-T702 WeakPolarHBondContact O-CA 3.5Å; T702-F704 HydrophobicContact CG2-CE1 4.43Å; T702-F704 HydrophobicContact CG2-CE2 3.82Å; T702-F704 HydrophobicContact CG2-CZ 3.74Å |
| 703 | L | 95.3 | Very high | 93.1 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 143.9 | -177.5 | -61.5 | 168 | 0 | 0 | 0 | 109.8 | C598 L602 S695 F696 V698 | C598-L703 HydrophobicContact CB-CD1 4.24Å; C598-L703 WeakPolarHBondContact SG-CD1 3.43Å; L602-L703 HydrophobicContact CD1-CB 4.26Å; L602-L703 HydrophobicContact CD1-CD1 4.35Å; S695-L703 WeakPolarHBondContact CA-O 3.4Å; S695-L703 VanDerWaalsContact CB-O 3.32Å; S695-L703 WeakPolarHBondContact CB-O 3.29Å; F696-L703 HydrophobicContact CE1-CB 4.32Å; F696-L703 HydrophobicContact CE2-CD1 4.07Å; F696-L703 HydrophobicContact CZ-CB 4.24Å; F696-L703 HydrophobicContact CZ-CD1 4.07Å; F696-L703 PolarHBondContact N-O 3.46Å; F696-L703 PolarHBondContact O-N 3.42Å; V698-L703 HydrophobicContact CB-CD1 4.34Å; V698-L703 HydrophobicContact CG2-CD1 4.05Å |
| 704 | F | 94.1 | Very high | 93.1 | Very high | 74 Ų | 74 | 50.2 Ų | 50.2 | 33% | 0.325 | 25% | 0.254 | S | S | . | . | trans | -124.9 | 98.4 | -177.7 | -62.6 | -88.9 | 0 | 0 | 0 | 109.9 | Y694 T702 S706 E707 Y708 | Y694-F704 HydrophobicContact CD1-CE1 4.37Å; Y694-F704 HydrophobicContact CE1-CD1 4.21Å; Y694-F704 AromaticContact CE1-CE1 3.8Å; Y694-F704 HydrophobicContact CE1-CE1 3.8Å; T702-F704 HydrophobicContact CG2-CE1 4.43Å; T702-F704 HydrophobicContact CG2-CE2 3.82Å; T702-F704 HydrophobicContact CG2-CZ 3.74Å; F704-S706 PolarHBondContact O-N 2.91Å; F704-E707 HydrophobicContact CB-CB 4.24Å; F704-E707 HydrophobicContact CB-CG 3.94Å; F704-E707 PolarHBondContact O-N 3.22Å; F704-E707 VanDerWaalsContact O-N 3.08Å; F704-Y708 WeakPolarHBondContact O-CD2 3.28Å | ||
| 705 | P | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -53.1 | -38.2 | -177.2 | -29.2 | 36.4 | 0 | 0 | 0 | 114.3 | I566 L602 M690 F696 E707 Y708 L709 | I566-P705 HydrophobicContact CD1-CG 4.33Å; L602-P705 HydrophobicContact CD2-CB 4.12Å; L602-P705 HydrophobicContact CD2-CG 4.06Å; M690-P705 HydrophobicContact CE-CB 4.2Å; M690-P705 WeakPolarHBondContact CE-O 3.47Å; F696-P705 HydrophobicContact CE1-CG 4.02Å; P705-E707 VanDerWaalsContact C-N 3.29Å; P705-E707 PolarHBondContact O-N 3.48Å; P705-Y708 PolarHBondContact O-N 3.18Å; P705-L709 PolarHBondContact O-N 3.28Å |
| 706 | S | 91 | Very high | 93 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 12% | 0.119 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -28 | 179.9 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | F704 S710 G759 | F704-S706 PolarHBondContact O-N 2.91Å; S706-S710 WeakPolarHBondContact O-CB 3.45Å; S706-S710 PolarHBondContact O-N 3.2Å; S706-S710 PolarHBondContact O-OG 2.62Å; S706-G759 WeakPolarHBondContact CB-O 3.28Å |
| 707 | E | 92 | Very high | 92.9 | Very high | 91 Ų | 91 | 44.8 Ų | 44.8 | 43% | 0.425 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -75 | -34.7 | 177.3 | -68.4 | -61 | 139 | 0 | 0 | 111.7 | F704 P705 L709 S710 S711 R764 | F704-E707 HydrophobicContact CB-CB 4.24Å; F704-E707 HydrophobicContact CB-CG 3.94Å; F704-E707 PolarHBondContact O-N 3.22Å; F704-E707 VanDerWaalsContact O-N 3.08Å; P705-E707 VanDerWaalsContact C-N 3.29Å; P705-E707 PolarHBondContact O-N 3.48Å; E707-L709 VanDerWaalsContact C-N 3.35Å; E707-S710 PolarHBondContact O-N 3.04Å; E707-S711 WeakPolarHBondContact O-CB 3.04Å; E707-S711 PolarHBondContact O-N 3.21Å; E707-R764 IonicContact OE1-NH2 2.82Å; E707-R764 PolarHBondContact OE1-NH2 3.41Å; E707-R764 IonicContact OE2-CZ 3.57Å; E707-R764 IonicContact OE2-NH1 2.74Å; E707-R764 IonicContact OE2-NH2 3.93Å; E707-R764 PolarHBondContact OE2-NH2 3Å |
| 708 | Y | 94.2 | Very high | 92.8 | Very high | 48 Ų | 48 | 41.8 Ų | 41.8 | 19% | 0.188 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -47 | 171.3 | -72.1 | -103.1 | 0 | 0 | 0 | 110.1 | N599 L602 E603 F704 P705 S711 H712 | N599-Y708 PolarHBondContact OD1-OH 2.95Å; L602-Y708 HydrophobicContact CB-CD1 3.96Å; L602-Y708 HydrophobicContact CB-CD2 4.23Å; L602-Y708 HydrophobicContact CB-CE1 4.12Å; L602-Y708 HydrophobicContact CB-CE2 4.41Å; L602-Y708 HydrophobicContact CB-CG 4.03Å; L602-Y708 HydrophobicContact CD1-CD2 4.17Å; L602-Y708 HydrophobicContact CD1-CE2 3.83Å; E603-Y708 HydrophobicContact CG-CD1 3.87Å; E603-Y708 HydrophobicContact CG-CE1 4.02Å; F704-Y708 WeakPolarHBondContact O-CD2 3.28Å; P705-Y708 PolarHBondContact O-N 3.18Å; Y708-S711 PolarHBondContact O-N 2.99Å; Y708-H712 PolarHBondContact O-CD2 3.36Å; Y708-H712 VanDerWaalsContact O-CD2 3.31Å; Y708-H712 PolarHBondContact O-N 3.3Å |
| 709 | L | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 176.2 | -178.5 | 57.3 | 0 | 0 | 0 | 112 | T609 M690 P705 E707 S711 H712 L713 L758 A760 | T609-L709 HydrophobicContact CG2-CD1 3.69Å; T609-L709 HydrophobicContact CG2-CD2 4.06Å; M690-L709 HydrophobicContact CB-CD2 4.49Å; M690-L709 HydrophobicContact CE-CB 3.83Å; P705-L709 PolarHBondContact O-N 3.28Å; E707-L709 VanDerWaalsContact C-N 3.35Å; L709-S711 VanDerWaalsContact C-N 3.34Å; L709-S711 PolarHBondContact O-N 3.12Å; L709-H712 PolarHBondContact O-N 2.85Å; L709-L713 VanDerWaalsContact O-CB 3.23Å; L709-L713 WeakPolarHBondContact O-CB 3.48Å; L709-L713 PolarHBondContact O-N 2.69Å; L709-L758 HydrophobicContact CD2-CB 4.01Å; L709-L758 HydrophobicContact CD2-CD1 4.43Å; L709-L758 HydrophobicContact CD2-CD2 4.07Å; L709-L758 HydrophobicContact CD2-CG 4.41Å; L709-A760 HydrophobicContact CD2-CB 4.37Å |
| 710 | S | 92.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.5 | -46.5 | -179.3 | -62.4 | 0 | 0 | 0 | 0 | 111.7 | S706 E707 L713 E714 | S706-S710 WeakPolarHBondContact O-CB 3.45Å; S706-S710 PolarHBondContact O-N 3.2Å; S706-S710 PolarHBondContact O-OG 2.62Å; E707-S710 PolarHBondContact O-N 3.04Å; S710-L713 PolarHBondContact O-N 3.22Å; S710-E714 WeakPolarHBondContact O-CB 3.09Å; S710-E714 PolarHBondContact O-N 3.42Å |
| 711 | S | 91.8 | Very high | 92.9 | Very high | 80 Ų | 80 | 42.6 Ų | 42.6 | 56% | 0.559 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -62.9 | -47.3 | 178.4 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | E707 Y708 L709 E714 A715 | E707-S711 WeakPolarHBondContact O-CB 3.04Å; E707-S711 PolarHBondContact O-N 3.21Å; Y708-S711 PolarHBondContact O-N 2.99Å; L709-S711 VanDerWaalsContact C-N 3.34Å; L709-S711 PolarHBondContact O-N 3.12Å; S711-E714 PolarHBondContact O-N 3.47Å; S711-A715 PolarHBondContact O-N 3.41Å; S711-A715 VanDerWaalsContact O-N 3.11Å |
| 712 | H | 92.3 | Very high | 92.9 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 25% | 0.25 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 177.4 | -89.2 | -88.5 | 0 | 0 | 0 | 112.3 | A606 Y708 L709 E714 A715 R716 | A606-H712 HydrophobicContact CB-CB 4.28Å; Y708-H712 PolarHBondContact O-CD2 3.36Å; Y708-H712 VanDerWaalsContact O-CD2 3.31Å; Y708-H712 PolarHBondContact O-N 3.3Å; L709-H712 PolarHBondContact O-N 2.85Å; H712-E714 VanDerWaalsContact C-N 3.34Å; H712-E714 PolarHBondContact O-N 3.28Å; H712-A715 PolarHBondContact O-N 2.77Å; H712-R716 WeakPolarHBondContact O-CB 3.31Å; H712-R716 WeakPolarHBondContact O-CG 2.86Å; H712-R716 PolarHBondContact O-N 2.8Å |
| 713 | L | 92.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | -179.7 | -163.4 | 76.3 | 0 | 0 | 0 | 111.2 | V613 L709 S710 L717 I751 V765 | V613-L713 HydrophobicContact CB-CD1 4.1Å; V613-L713 HydrophobicContact CG1-CD1 3.85Å; L709-L713 VanDerWaalsContact O-CB 3.23Å; L709-L713 WeakPolarHBondContact O-CB 3.48Å; L709-L713 PolarHBondContact O-N 2.69Å; S710-L713 PolarHBondContact O-N 3.22Å; L713-L717 WeakPolarHBondContact O-CB 3.44Å; L713-L717 PolarHBondContact O-N 2.96Å; L713-I751 HydrophobicContact CD2-CG2 4.01Å; L713-V765 HydrophobicContact CB-CG1 4.21Å; L713-V765 HydrophobicContact CD2-CG1 4.05Å; L713-V765 HydrophobicContact CG-CG1 4.18Å |
| 714 | E | 91.9 | Very high | 92.6 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.3 | -53.1 | 175.5 | -172.8 | -179.7 | 142.3 | 0 | 0 | 111.8 | S710 S711 H712 R716 L717 N718 V765 N768 Q772 | S710-E714 WeakPolarHBondContact O-CB 3.09Å; S710-E714 PolarHBondContact O-N 3.42Å; S711-E714 PolarHBondContact O-N 3.47Å; H712-E714 VanDerWaalsContact C-N 3.34Å; H712-E714 PolarHBondContact O-N 3.28Å; E714-R716 VanDerWaalsContact C-N 3.31Å; E714-R716 PolarHBondContact O-N 3.04Å; E714-L717 PolarHBondContact O-N 3.21Å; E714-N718 PolarHBondContact O-N 3.45Å; E714-V765 HydrophobicContact CB-CG1 3.98Å; E714-N768 HydrophobicContact CG-CB 4.14Å; E714-N768 WeakPolarHBondContact OE1-CB 3.3Å; E714-N768 WeakPolarHBondContact OE2-CB 3.49Å; E714-N768 PolarHBondContact OE2-ND2 3.5Å; E714-Q772 PolarHBondContact OE1-NE2 3.13Å |
| 715 | A | 91.1 | Very high | 92.5 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 40% | 0.397 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.7 | -40.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S711 H712 R719 | S711-A715 PolarHBondContact O-N 3.41Å; S711-A715 VanDerWaalsContact O-N 3.11Å; H712-A715 PolarHBondContact O-N 2.77Å; A715-R719 WeakPolarHBondContact O-CG 3.49Å; A715-R719 PolarHBondContact O-N 3.09Å |
| 716 | R | 91.6 | Very high | 92.2 | Very high | 78 Ų | 78 | 43.9 Ų | 43.9 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -73 | -38.6 | -179.7 | -70.2 | -76.8 | -68.1 | 119.2 | -5.8 | 111.8 | D611 L614 H712 E714 R719 A720 | D611-R716 IonicContact OD1-CZ 3.66Å; D611-R716 VanDerWaalsContact OD1-CZ 3.27Å; D611-R716 IonicContact OD1-NE 3.63Å; D611-R716 PolarHBondContact OD1-NE 2.93Å; D611-R716 IonicContact OD1-NH2 3.72Å; D611-R716 PolarHBondContact OD1-NH2 3.35Å; L614-R716 HydrophobicContact CD1-CB 3.53Å; H712-R716 WeakPolarHBondContact O-CB 3.31Å; H712-R716 WeakPolarHBondContact O-CG 2.86Å; H712-R716 PolarHBondContact O-N 2.8Å; E714-R716 VanDerWaalsContact C-N 3.31Å; E714-R716 PolarHBondContact O-N 3.04Å; R716-R719 PolarHBondContact O-N 2.81Å; R716-A720 WeakPolarHBondContact O-CB 3.47Å; R716-A720 PolarHBondContact O-N 3.37Å |
| 717 | L | 92.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.9 | 179.7 | 59.4 | 0 | 0 | 0 | 111.4 | L713 E714 R719 A720 I721 Y747 I751 V765 I766 A769 | L713-L717 WeakPolarHBondContact O-CB 3.44Å; L713-L717 PolarHBondContact O-N 2.96Å; E714-L717 PolarHBondContact O-N 3.21Å; L717-R719 PolarHBondContact O-N 3.29Å; L717-A720 PolarHBondContact O-N 2.89Å; L717-A720 VanDerWaalsContact O-N 3.16Å; L717-I721 HydrophobicContact CD1-CD1 4.2Å; L717-I721 HydrophobicContact CD1-CG1 4.26Å; L717-I721 HydrophobicContact CG-CD1 4.05Å; L717-I721 WeakPolarHBondContact O-CG1 3.46Å; L717-I721 PolarHBondContact O-N 3.49Å; L717-Y747 HydrophobicContact CD1-CD1 4.1Å; L717-I751 HydrophobicContact CD1-CD1 3.87Å; L717-I751 HydrophobicContact CD2-CD1 4.02Å; L717-I751 HydrophobicContact CG-CD1 4.47Å; L717-V765 HydrophobicContact CD2-CG1 4.48Å; L717-I766 HydrophobicContact CD2-CG1 4.36Å; L717-A769 HydrophobicContact CB-CB 4.34Å; L717-A769 HydrophobicContact CD2-CB 3.79Å; L717-A769 HydrophobicContact CG-CB 3.98Å |
| 718 | N | 92.1 | Very high | 92 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.032 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.1 | -52 | 174.3 | -91.9 | -38.6 | 0 | 0 | 0 | 112 | E714 A720 I721 V722 A769 Q772 Q773 | E714-N718 PolarHBondContact O-N 3.45Å; N718-A720 VanDerWaalsContact C-N 3.31Å; N718-A720 PolarHBondContact O-N 3.49Å; N718-I721 PolarHBondContact O-N 3.46Å; N718-V722 PolarHBondContact O-N 3.14Å; N718-A769 VanDerWaalsContact OD1-CA 3.23Å; N718-A769 WeakPolarHBondContact OD1-CA 3.27Å; N718-A769 PolarHBondContact OD1-O 2.82Å; N718-Q772 PolarHBondContact ND2-OE1 3.4Å; N718-Q773 PolarHBondContact OD1-NE2 2.89Å; N718-Q773 VanDerWaalsContact OD1-NE2 3.12Å |
| 719 | R | 91.8 | Very high | 91.4 | Very high | 168 Ų | 168 | 46.7 Ų | 46.7 | 63% | 0.634 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.2 | -38.4 | 177.1 | -69.3 | 178.2 | -178.1 | 173.1 | 2.7 | 112.5 | A715 R716 L717 V722 W723 | A715-R719 WeakPolarHBondContact O-CG 3.49Å; A715-R719 PolarHBondContact O-N 3.09Å; R716-R719 PolarHBondContact O-N 2.81Å; L717-R719 PolarHBondContact O-N 3.29Å; R719-V722 PolarHBondContact O-N 3.48Å; R719-W723 WeakPolarHBondContact O-CB 3.3Å; R719-W723 PolarHBondContact O-N 3.48Å |
| 720 | A | 93 | Very high | 90.9 | Very high | 11 Ų | 11 | 52.9 Ų | 52.9 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L614 R716 L717 N718 V722 W723 L724 Y747 | L614-A720 HydrophobicContact CD1-CB 4.29Å; L614-A720 HydrophobicContact CD2-CB 4.4Å; R716-A720 WeakPolarHBondContact O-CB 3.47Å; R716-A720 PolarHBondContact O-N 3.37Å; L717-A720 PolarHBondContact O-N 2.89Å; L717-A720 VanDerWaalsContact O-N 3.16Å; N718-A720 VanDerWaalsContact C-N 3.31Å; N718-A720 PolarHBondContact O-N 3.49Å; A720-V722 PolarHBondContact O-N 3.49Å; A720-W723 PolarHBondContact O-N 3.18Å; A720-L724 VanDerWaalsContact O-CG 3.28Å; A720-L724 WeakPolarHBondContact O-CG 3.21Å; A720-L724 PolarHBondContact O-N 3.23Å; A720-Y747 HydrophobicContact CB-CD1 4.49Å; A720-Y747 HydrophobicContact CB-CE1 3.88Å |
| 721 | I | 94.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 177.5 | -65.8 | 162.1 | 0 | 0 | 0 | 111.1 | L717 N718 W723 L724 A725 V744 L770 Q773 I785 | L717-I721 HydrophobicContact CD1-CD1 4.2Å; L717-I721 HydrophobicContact CD1-CG1 4.26Å; L717-I721 HydrophobicContact CG-CD1 4.05Å; L717-I721 WeakPolarHBondContact O-CG1 3.46Å; L717-I721 PolarHBondContact O-N 3.49Å; N718-I721 PolarHBondContact O-N 3.46Å; I721-W723 VanDerWaalsContact C-N 3.34Å; I721-W723 PolarHBondContact O-N 3.17Å; I721-L724 WeakPolarHBondContact O-CB 3.31Å; I721-L724 PolarHBondContact O-N 2.91Å; I721-A725 PolarHBondContact O-N 3.21Å; I721-V744 HydrophobicContact CG1-CG2 4.4Å; I721-V744 HydrophobicContact CG2-CG2 4.15Å; I721-L770 HydrophobicContact CD1-CD2 3.9Å; I721-Q773 HydrophobicContact CB-CG 4.38Å; I721-Q773 HydrophobicContact CD1-CG 4.22Å; I721-Q773 HydrophobicContact CG2-CG 3.98Å; I721-I785 HydrophobicContact CG2-CD1 4.12Å; I721-I785 HydrophobicContact CG2-CG2 4.03Å |
| 722 | V | 93.7 | Very high | 90 | Very high | 40 Ų | 40 | 55 Ų | 55 | 24% | 0.242 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 175.5 | 177.6 | 0 | 0 | 0 | 0 | 111 | N718 R719 A720 L724 A725 I785 L788 | N718-V722 PolarHBondContact O-N 3.14Å; R719-V722 PolarHBondContact O-N 3.48Å; A720-V722 PolarHBondContact O-N 3.49Å; V722-L724 VanDerWaalsContact C-N 3.33Å; V722-L724 PolarHBondContact O-N 3.39Å; V722-A725 WeakPolarHBondContact O-CB 3.26Å; V722-A725 PolarHBondContact O-N 3.15Å; V722-A725 VanDerWaalsContact O-N 3.17Å; V722-I785 HydrophobicContact CG2-CG2 4.5Å; V722-L788 HydrophobicContact CG1-CD1 3.97Å |
| 723 | W | 92.3 | Very high | 89.8 | Confident | 184 Ų | 184 | 57.3 Ų | 57.3 | 70% | 0.697 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.7 | -36.8 | 176.7 | -173.3 | 81.2 | 0 | 0 | 0 | 112.7 | R719 A720 I721 A725 G726 | R719-W723 WeakPolarHBondContact O-CB 3.3Å; R719-W723 PolarHBondContact O-N 3.48Å; A720-W723 PolarHBondContact O-N 3.18Å; I721-W723 VanDerWaalsContact C-N 3.34Å; I721-W723 PolarHBondContact O-N 3.17Å; W723-A725 PolarHBondContact O-N 3.36Å; W723-G726 PolarHBondContact O-N 3.49Å; W723-G726 VanDerWaalsContact O-N 3.07Å |
| 724 | L | 92.6 | Very high | 89.9 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.3 | -27.6 | 175.2 | -72.5 | 175 | 0 | 0 | 0 | 112.8 | R621 A720 I721 V722 G726 L740 V744 Y747 | R621-L724 HydrophobicContact CG-CD2 4.42Å; A720-L724 VanDerWaalsContact O-CG 3.28Å; A720-L724 WeakPolarHBondContact O-CG 3.21Å; A720-L724 PolarHBondContact O-N 3.23Å; I721-L724 WeakPolarHBondContact O-CB 3.31Å; I721-L724 PolarHBondContact O-N 2.91Å; V722-L724 VanDerWaalsContact C-N 3.33Å; V722-L724 PolarHBondContact O-N 3.39Å; L724-G726 PolarHBondContact O-N 3.15Å; L724-L740 HydrophobicContact CB-CD1 3.43Å; L724-L740 VanDerWaalsContact CB-CD1 3.43Å; L724-V744 HydrophobicContact CD1-CG2 4.33Å; L724-Y747 HydrophobicContact CD1-CD1 4.41Å; L724-Y747 HydrophobicContact CD1-CD2 4.34Å; L724-Y747 HydrophobicContact CD1-CE1 4.27Å; L724-Y747 HydrophobicContact CD1-CE2 4.18Å; L724-Y747 HydrophobicContact CD1-CG 4.46Å; L724-Y747 HydrophobicContact CD2-CE2 4.42Å |
| 725 | A | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -20.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I721 V722 W723 Y727 I734 V735 L740 I785 | I721-A725 PolarHBondContact O-N 3.21Å; V722-A725 WeakPolarHBondContact O-CB 3.26Å; V722-A725 PolarHBondContact O-N 3.15Å; V722-A725 VanDerWaalsContact O-N 3.17Å; W723-A725 PolarHBondContact O-N 3.36Å; A725-Y727 PolarHBondContact O-N 3.36Å; A725-Y727 VanDerWaalsContact O-N 3.15Å; A725-I734 WeakPolarHBondContact O-CG1 3.4Å; A725-V735 WeakPolarHBondContact O-CB 3.47Å; A725-V735 WeakPolarHBondContact O-CG2 3.42Å; A725-V735 PolarHBondContact O-N 2.92Å; A725-L740 HydrophobicContact CB-CD2 4.1Å; A725-I785 HydrophobicContact CB-CG2 4.06Å |
| 726 | G | 88.8 | Confident | 90.1 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 43% | 0.433 | 29% | 0.291 | S | S | . | . | trans | 60.2 | 26.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | W723 L724 N728 | W723-G726 PolarHBondContact O-N 3.49Å; W723-G726 VanDerWaalsContact O-N 3.07Å; L724-G726 PolarHBondContact O-N 3.15Å; G726-N728 PolarHBondContact O-N 3.44Å | ||
| 727 | Y | 90.3 | Very high | 90.3 | Very high | 78 Ų | 78 | 53.8 Ų | 53.8 | 31% | 0.306 | 28% | 0.277 | S | S | . | . | trans | -67.8 | 124 | -175 | -179.7 | -108.8 | 0 | 0 | 0 | 111.9 | A725 A729 E733 I734 L788 W792 | A725-Y727 PolarHBondContact O-N 3.36Å; A725-Y727 VanDerWaalsContact O-N 3.15Å; Y727-A729 HydrophobicContact CE1-CB 3.95Å; Y727-E733 WeakPolarHBondContact CA-O 3.37Å; Y727-I734 HydrophobicContact CD2-CB 4.18Å; Y727-I734 HydrophobicContact CD2-CD1 4.01Å; Y727-I734 HydrophobicContact CD2-CG1 4.22Å; Y727-L788 HydrophobicContact CD1-CD2 3.6Å; Y727-L788 HydrophobicContact CE1-CD2 4.03Å; Y727-L788 HydrophobicContact CG-CD2 4.08Å; Y727-W792 HydrophobicContact CE2-CB 4.4Å | ||
| 728 | N | 88.1 | Confident | 90.4 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 35% | 0.353 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -117.8 | 108.9 | 173.6 | -176.4 | -19.6 | 0 | 0 | 0 | 110.2 | G726 T730 T731 Q732 E733 | G726-N728 PolarHBondContact O-N 3.44Å; N728-T730 PolarHBondContact O-N 3.02Å; N728-T730 WeakPolarHBondContact OD1-CB 3.23Å; N728-T730 PolarHBondContact OD1-N 2.99Å; N728-T731 VanDerWaalsContact CB-OG1 3.31Å; N728-T731 WeakPolarHBondContact CB-OG1 3.38Å; N728-T731 PolarHBondContact ND2-OG1 3.08Å; N728-T731 PolarHBondContact O-N 3.33Å; N728-T731 PolarHBondContact OD1-N 2.95Å; N728-Q732 WeakPolarHBondContact O-CA 3.49Å; N728-Q732 PolarHBondContact O-N 2.97Å; N728-E733 PolarHBondContact N-O 3.01Å; N728-E733 PolarHBondContact O-N 3.08Å |
| 729 | A | 81.8 | Confident | 90.5 | Very high | 71 Ų | 71 | 57 Ų | 57 | 59% | 0.587 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y727 | Y727-A729 HydrophobicContact CE1-CB 3.95Š|
| 730 | T | 82.1 | Confident | 90.6 | Very high | 131 Ų | 131 | 49 Ų | 49 | 80% | 0.804 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -42.9 | -179.7 | -51.9 | 0 | 0 | 0 | 0 | 112.1 | N728 | N728-T730 PolarHBondContact O-N 3.02Å; N728-T730 WeakPolarHBondContact OD1-CB 3.23Å; N728-T730 PolarHBondContact OD1-N 2.99Å |
| 731 | T | 82.9 | Confident | 90.7 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 29% | 0.288 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -10.2 | -179.2 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | N728 E733 N825 | N728-T731 VanDerWaalsContact CB-OG1 3.31Å; N728-T731 WeakPolarHBondContact CB-OG1 3.38Å; N728-T731 PolarHBondContact ND2-OG1 3.08Å; N728-T731 PolarHBondContact O-N 3.33Å; N728-T731 PolarHBondContact OD1-N 2.95Å; T731-E733 WeakPolarHBondContact CB-OE2 3.3Å; T731-E733 PolarHBondContact O-N 3.42Å; T731-E733 WeakPolarHBondContact OG1-CG 3.49Å; T731-E733 PolarHBondContact OG1-OE2 3.25Å; T731-N825 PolarHBondContact O-ND2 2.95Å |
| 732 | Q | 82.3 | Confident | 90.7 | Very high | 79 Ų | 79 | 51 Ų | 51 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 30.8 | -171.3 | -59.6 | -173.2 | -30.5 | 0 | 0 | 112.8 | N728 W792 | N728-Q732 WeakPolarHBondContact O-CA 3.49Å; N728-Q732 PolarHBondContact O-N 2.97Å; Q732-W792 PolarHBondContact O-NE1 3.22Å |
| 733 | E | 87.9 | Confident | 90.7 | Very high | 103 Ų | 103 | 49.3 Ų | 49.3 | 48% | 0.481 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | -90.4 | 138.7 | 176.5 | -69.2 | 169.6 | 148.4 | 0 | 0 | 110.3 | Y727 N728 T731 | Y727-E733 WeakPolarHBondContact CA-O 3.37Å; N728-E733 PolarHBondContact N-O 3.01Å; N728-E733 PolarHBondContact O-N 3.08Å; T731-E733 WeakPolarHBondContact CB-OE2 3.3Å; T731-E733 PolarHBondContact O-N 3.42Å; T731-E733 WeakPolarHBondContact OG1-CG 3.49Å; T731-E733 PolarHBondContact OG1-OE2 3.25Å |
| 734 | I | 94.4 | Very high | 90.9 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | trans | -144.1 | 149 | 172.3 | -160.4 | 168.5 | 0 | 0 | 0 | 108.7 | A725 Y727 L788 Y789 W792 F831 | A725-I734 WeakPolarHBondContact O-CG1 3.4Å; Y727-I734 HydrophobicContact CD2-CB 4.18Å; Y727-I734 HydrophobicContact CD2-CD1 4.01Å; Y727-I734 HydrophobicContact CD2-CG1 4.22Å; I734-L788 HydrophobicContact CD1-CB 4.35Å; I734-Y789 HydrophobicContact CD1-CD1 3.64Å; I734-Y789 HydrophobicContact CD1-CD2 4.25Å; I734-Y789 HydrophobicContact CD1-CE1 3.59Å; I734-Y789 HydrophobicContact CD1-CE2 4.19Å; I734-Y789 HydrophobicContact CD1-CG 3.97Å; I734-Y789 HydrophobicContact CG1-CD1 4.48Å; I734-Y789 HydrophobicContact CG1-CE1 3.96Å; I734-Y789 HydrophobicContact CG2-CE1 4.23Å; I734-W792 HydrophobicContact CB-CG 4.22Å; I734-W792 HydrophobicContact CD1-CB 4.27Å; I734-W792 HydrophobicContact CG2-CB 4.43Å; I734-W792 HydrophobicContact CG2-CD2 3.45Å; I734-W792 VanDerWaalsContact CG2-CD2 3.45Å; I734-W792 VanDerWaalsContact CG2-CE2 3.47Å; I734-W792 HydrophobicContact CG2-CE3 4.02Å; I734-W792 HydrophobicContact CG2-CG 3.61Å; I734-W792 HydrophobicContact CG2-CZ2 4.06Å; I734-F831 HydrophobicContact CG2-CD1 4.46Å; I734-F831 HydrophobicContact CG2-CE1 3.8Å; I734-F831 WeakPolarHBondContact O-CE1 3.39Å; I734-F831 WeakPolarHBondContact O-CZ 3.49Å | ||
| 735 | V | 93.9 | Very high | 90.9 | Very high | 31 Ų | 31 | 46.1 Ų | 46.1 | 19% | 0.188 | 26% | 0.261 | C | S | . | . | trans | -69.7 | 146.5 | 176.8 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | A725 E739 L740 Y789 | A725-V735 WeakPolarHBondContact O-CB 3.47Å; A725-V735 WeakPolarHBondContact O-CG2 3.42Å; A725-V735 PolarHBondContact O-N 2.92Å; V735-E739 HydrophobicContact CG1-CB 3.76Å; V735-L740 HydrophobicContact CG1-CB 4.38Å; V735-Y789 WeakPolarHBondContact O-CE1 3.47Å; V735-Y789 PolarHBondContact O-OH 3.16Å | ||
| 736 | R | 94.1 | Very high | 91 | Very high | 49 Ų | 49 | 46.8 Ų | 46.8 | 19% | 0.185 | 27% | 0.266 | C | S | . | . | trans | -61.9 | 137.3 | 176.9 | -62.8 | -175.9 | -66.5 | -174.7 | 10.1 | 111 | S738 E739 L740 E830 F831 | R736-S738 PolarHBondContact O-N 2.89Å; R736-E739 HydrophobicContact CB-CB 4.45Å; R736-E739 HydrophobicContact CB-CG 4.21Å; R736-E739 IonicContact CZ-OE1 3.43Å; R736-E739 IonicContact NE-OE1 3.54Å; R736-E739 IonicContact NH2-OE1 3.83Å; R736-E739 PolarHBondContact NH2-OE1 2.78Å; R736-E739 PolarHBondContact O-N 3.42Å; R736-L740 PolarHBondContact O-N 3.4Å; R736-E830 VanDerWaalsContact CD-O 3.26Å; R736-E830 WeakPolarHBondContact CD-O 3.31Å; R736-E830 WeakPolarHBondContact CG-O 3.32Å; R736-E830 IonicContact CZ-OE2 2.9Å; R736-E830 IonicContact NE-OE2 3.75Å; R736-E830 VanDerWaalsContact NH1-CD 3.27Å; R736-E830 IonicContact NH1-OE1 3.49Å; R736-E830 IonicContact NH1-OE2 2.75Å; R736-E830 PolarHBondContact NH1-OE2 2.72Å; R736-F831 HydrophobicContact CB-CE1 4.43Å; R736-F831 HydrophobicContact CG-CD1 4.34Å; R736-F831 HydrophobicContact CG-CE1 3.86Å; R736-F831 HydrophobicContact CG-CE2 4.05Å; R736-F831 HydrophobicContact CG-CZ 3.71Å | ||
| 737 | P | 96.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -49.2 | -41.2 | 177.9 | -28.6 | 32.3 | 0 | 0 | 0 | 114.4 | L740 L741 Y789 Y793 E836 A839 L840 | P737-L740 PolarHBondContact O-N 2.93Å; P737-L741 VanDerWaalsContact O-CB 3.28Å; P737-L741 WeakPolarHBondContact O-CB 3.35Å; P737-L741 PolarHBondContact O-N 2.9Å; P737-Y789 HydrophobicContact CG-CD1 4.49Å; P737-Y789 HydrophobicContact CG-CE1 3.97Å; P737-Y793 WeakPolarHBondContact CG-OH 3.25Å; P737-E836 WeakPolarHBondContact CB-OE2 3.41Å; P737-E836 WeakPolarHBondContact CD-OE2 3.46Å; P737-A839 HydrophobicContact CB-CB 3.98Å; P737-L840 HydrophobicContact CB-CB 4.13Å; P737-L840 HydrophobicContact CG-CB 4.27Å; P737-L840 HydrophobicContact CG-CD1 4.32Å |
| 738 | S | 94.5 | Very high | 91.4 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.4 | -38.2 | 179 | 66.9 | 0 | 0 | 0 | 0 | 113.4 | R736 A742 E836 | R736-S738 PolarHBondContact O-N 2.89Å; S738-A742 WeakPolarHBondContact O-CB 3.41Å; S738-A742 PolarHBondContact O-N 3.31Å; S738-E836 WeakPolarHBondContact CB-OE1 3.25Å; S738-E836 WeakPolarHBondContact CB-OE2 3.4Å; S738-E836 PolarHBondContact N-OE2 3.24Å; S738-E836 PolarHBondContact OG-OE1 3.47Å; S738-E836 PolarHBondContact OG-OE2 2.86Å |
| 739 | E | 93.4 | Very high | 91.6 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.6 | -41.9 | 176.6 | -64.8 | -165.1 | 157.7 | 0 | 0 | 111.5 | L628 K630 V735 R736 A742 G743 | L628-E739 HydrophobicContact CD1-CG 3.91Å; K630-E739 WeakPolarHBondContact CE-OE1 3.41Å; K630-E739 IonicContact NZ-OE1 2.71Å; K630-E739 PolarHBondContact NZ-OE1 3.34Å; K630-E739 IonicContact NZ-OE2 3.31Å; V735-E739 HydrophobicContact CG1-CB 3.76Å; R736-E739 HydrophobicContact CB-CB 4.45Å; R736-E739 HydrophobicContact CB-CG 4.21Å; R736-E739 IonicContact CZ-OE1 3.43Å; R736-E739 IonicContact NE-OE1 3.54Å; R736-E739 IonicContact NH2-OE1 3.83Å; R736-E739 PolarHBondContact NH2-OE1 2.78Å; R736-E739 PolarHBondContact O-N 3.42Å; E739-A742 PolarHBondContact O-N 3.37Å; E739-G743 PolarHBondContact O-N 3.04Å |
| 740 | L | 95.1 | Very high | 92 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -47 | 173.4 | 176.7 | 59.9 | 0 | 0 | 0 | 110.5 | L724 A725 V735 R736 P737 A742 G743 V744 I785 Y789 L843 | L724-L740 HydrophobicContact CB-CD1 3.43Å; L724-L740 VanDerWaalsContact CB-CD1 3.43Å; A725-L740 HydrophobicContact CB-CD2 4.1Å; V735-L740 HydrophobicContact CG1-CB 4.38Å; R736-L740 PolarHBondContact O-N 3.4Å; P737-L740 PolarHBondContact O-N 2.93Å; L740-A742 VanDerWaalsContact C-N 3.33Å; L740-A742 PolarHBondContact O-N 3.11Å; L740-G743 PolarHBondContact O-N 3.28Å; L740-G743 VanDerWaalsContact O-N 3.13Å; L740-V744 HydrophobicContact CD1-CG2 3.96Å; L740-V744 HydrophobicContact CG-CG2 4.26Å; L740-V744 WeakPolarHBondContact O-CG2 3.36Å; L740-V744 PolarHBondContact O-N 3.11Å; L740-I785 HydrophobicContact CD2-CG2 4.4Å; L740-Y789 HydrophobicContact CD2-CE2 3.47Å; L740-Y789 VanDerWaalsContact CD2-CE2 3.47Å; L740-Y789 VanDerWaalsContact CD2-OH 3.31Å; L740-Y789 WeakPolarHBondContact CD2-OH 3.46Å; L740-L843 HydrophobicContact CB-CD1 4.16Å; L740-L843 HydrophobicContact CD2-CD1 3.79Å; L740-L843 HydrophobicContact CG-CD1 3.92Å; L740-L843 HydrophobicContact CG-CD2 4.37Å |
| 741 | L | 95.2 | Very high | 92.5 | Very high | 23 Ų | 23 | 34 Ų | 34 | 12% | 0.12 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60 | -41.6 | 177.9 | -179.2 | 62.5 | 0 | 0 | 0 | 112 | P737 G743 V744 K745 A839 E842 L843 | P737-L741 VanDerWaalsContact O-CB 3.28Å; P737-L741 WeakPolarHBondContact O-CB 3.35Å; P737-L741 PolarHBondContact O-N 2.9Å; L741-G743 VanDerWaalsContact C-N 3.35Å; L741-V744 PolarHBondContact O-N 3.17Å; L741-K745 HydrophobicContact CD1-CD 4.33Å; L741-K745 HydrophobicContact CD1-CG 4.28Å; L741-K745 HydrophobicContact CG-CD 4.21Å; L741-K745 WeakPolarHBondContact O-CB 3.42Å; L741-K745 VanDerWaalsContact O-CG 3.32Å; L741-K745 WeakPolarHBondContact O-CG 3.5Å; L741-K745 PolarHBondContact O-N 3.14Å; L741-A839 HydrophobicContact CB-CB 4.36Å; L741-A839 HydrophobicContact CD2-CB 3.87Å; L741-E842 HydrophobicContact CD1-CB 3.98Å; L741-E842 HydrophobicContact CD2-CB 3.81Å; L741-E842 HydrophobicContact CD2-CG 4.03Å; L741-L843 HydrophobicContact CB-CD1 4.22Å; L741-L843 HydrophobicContact CB-CD2 4.33Å; L741-L843 HydrophobicContact CB-CG 4.21Å; L741-L843 HydrophobicContact CD1-CD2 3.93Å; L741-L843 HydrophobicContact CD1-CG 4.09Å |
| 742 | A | 93.8 | Very high | 92.8 | Very high | 31 Ų | 31 | 36 Ų | 36 | 26% | 0.256 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.6 | -43 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L628 S738 E739 L740 K745 A746 | L628-A742 HydrophobicContact CD2-CB 4.42Å; S738-A742 WeakPolarHBondContact O-CB 3.41Å; S738-A742 PolarHBondContact O-N 3.31Å; E739-A742 PolarHBondContact O-N 3.37Å; L740-A742 VanDerWaalsContact C-N 3.33Å; L740-A742 PolarHBondContact O-N 3.11Å; A742-K745 PolarHBondContact O-N 2.94Å; A742-A746 PolarHBondContact O-N 3.43Å |
| 743 | G | 93.8 | Very high | 93 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -46.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E739 L740 L741 K745 A746 Y747 | E739-G743 PolarHBondContact O-N 3.04Å; L740-G743 PolarHBondContact O-N 3.28Å; L740-G743 VanDerWaalsContact O-N 3.13Å; L741-G743 VanDerWaalsContact C-N 3.35Å; G743-K745 PolarHBondContact O-N 3.11Å; G743-A746 WeakPolarHBondContact O-CB 3.44Å; G743-A746 PolarHBondContact O-N 3.03Å; G743-Y747 VanDerWaalsContact O-CD2 3.27Å; G743-Y747 WeakPolarHBondContact O-CD2 3.31Å; G743-Y747 PolarHBondContact O-N 3.17Å |
| 744 | V | 95.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.03 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 176.8 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | I721 L724 L740 L741 A746 Y747 I748 L770 L843 | I721-V744 HydrophobicContact CG1-CG2 4.4Å; I721-V744 HydrophobicContact CG2-CG2 4.15Å; L724-V744 HydrophobicContact CD1-CG2 4.33Å; L740-V744 HydrophobicContact CD1-CG2 3.96Å; L740-V744 HydrophobicContact CG-CG2 4.26Å; L740-V744 WeakPolarHBondContact O-CG2 3.36Å; L740-V744 PolarHBondContact O-N 3.11Å; L741-V744 PolarHBondContact O-N 3.17Å; V744-A746 VanDerWaalsContact C-N 3.35Å; V744-A746 PolarHBondContact O-N 3.22Å; V744-Y747 PolarHBondContact O-N 3.34Å; V744-I748 HydrophobicContact CG1-CD1 3.57Å; V744-I748 HydrophobicContact CG1-CG1 4.28Å; V744-I748 WeakPolarHBondContact O-CB 3.46Å; V744-I748 VanDerWaalsContact O-CG1 3.26Å; V744-I748 WeakPolarHBondContact O-CG1 3.43Å; V744-I748 PolarHBondContact O-N 3.45Å; V744-L770 HydrophobicContact CG1-CD2 3.96Å; V744-L843 HydrophobicContact CB-CD2 4.36Å; V744-L843 HydrophobicContact CG2-CD2 4.14Å |
| 745 | K | 94.3 | Very high | 92 | Very high | 117 Ų | 117 | 32 Ų | 32 | 51% | 0.509 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.5 | -38.7 | 174.8 | -77.6 | 179.7 | 176.4 | 176.3 | 0 | 112.5 | L741 A742 G743 G749 | L741-K745 HydrophobicContact CD1-CD 4.33Å; L741-K745 HydrophobicContact CD1-CG 4.28Å; L741-K745 HydrophobicContact CG-CD 4.21Å; L741-K745 WeakPolarHBondContact O-CB 3.42Å; L741-K745 VanDerWaalsContact O-CG 3.32Å; L741-K745 WeakPolarHBondContact O-CG 3.5Å; L741-K745 PolarHBondContact O-N 3.14Å; A742-K745 PolarHBondContact O-N 2.94Å; G743-K745 PolarHBondContact O-N 3.11Å; K745-G749 PolarHBondContact O-N 2.98Å |
| 746 | A | 93.9 | Very high | 91 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 12% | 0.116 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | R621 S624 A742 G743 V744 F750 | R621-A746 HydrophobicContact CB-CB 4.43Å; S624-A746 WeakPolarHBondContact OG-CB 3.19Å; A742-A746 PolarHBondContact O-N 3.43Å; G743-A746 WeakPolarHBondContact O-CB 3.44Å; G743-A746 PolarHBondContact O-N 3.03Å; V744-A746 VanDerWaalsContact C-N 3.35Å; V744-A746 PolarHBondContact O-N 3.22Å; A746-F750 PolarHBondContact O-N 3.44Å; A746-F750 VanDerWaalsContact O-N 3.09Å |
| 747 | Y | 94.3 | Very high | 90.3 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -51.2 | 176.7 | -83.7 | -134.3 | 0 | 0 | 0 | 111.2 | L614 C617 A618 R621 L717 A720 L724 G743 V744 G749 F750 I751 | L614-Y747 HydrophobicContact CD2-CD1 4.25Å; L614-Y747 HydrophobicContact CD2-CE1 4.09Å; C617-Y747 HydrophobicContact CB-CD1 3.67Å; C617-Y747 HydrophobicContact CB-CD2 3.6Å; C617-Y747 HydrophobicContact CB-CE1 3.64Å; C617-Y747 HydrophobicContact CB-CE2 3.59Å; C617-Y747 HydrophobicContact CB-CG 3.63Å; C617-Y747 WeakPolarHBondContact O-CE2 3.49Å; A618-Y747 WeakPolarHBondContact CA-OH 3.44Å; R621-Y747 HydrophobicContact CB-CD2 4.2Å; R621-Y747 HydrophobicContact CB-CE2 3.71Å; R621-Y747 HydrophobicContact CG-CE2 4.35Å; L717-Y747 HydrophobicContact CD1-CD1 4.1Å; A720-Y747 HydrophobicContact CB-CD1 4.49Å; A720-Y747 HydrophobicContact CB-CE1 3.88Å; L724-Y747 HydrophobicContact CD1-CD1 4.41Å; L724-Y747 HydrophobicContact CD1-CD2 4.34Å; L724-Y747 HydrophobicContact CD1-CE1 4.27Å; L724-Y747 HydrophobicContact CD1-CE2 4.18Å; L724-Y747 HydrophobicContact CD1-CG 4.46Å; L724-Y747 HydrophobicContact CD2-CE2 4.42Å; G743-Y747 VanDerWaalsContact O-CD2 3.27Å; G743-Y747 WeakPolarHBondContact O-CD2 3.31Å; G743-Y747 PolarHBondContact O-N 3.17Å; V744-Y747 PolarHBondContact O-N 3.34Å; Y747-G749 PolarHBondContact O-N 3.42Å; Y747-F750 PolarHBondContact O-N 3.18Å; Y747-I751 VanDerWaalsContact O-CG1 3.3Å; Y747-I751 WeakPolarHBondContact O-CG1 3.41Å; Y747-I751 PolarHBondContact O-N 3.37Å |
| 748 | I | 92.8 | Very high | 89.3 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.4 | -47.3 | 178.9 | -68.6 | 165.6 | 0 | 0 | 0 | 110.8 | V744 F750 I751 Q752 I766 L770 | V744-I748 HydrophobicContact CG1-CD1 3.57Å; V744-I748 HydrophobicContact CG1-CG1 4.28Å; V744-I748 WeakPolarHBondContact O-CB 3.46Å; V744-I748 VanDerWaalsContact O-CG1 3.26Å; V744-I748 WeakPolarHBondContact O-CG1 3.43Å; V744-I748 PolarHBondContact O-N 3.45Å; I748-F750 VanDerWaalsContact C-N 3.32Å; I748-F750 PolarHBondContact O-N 2.86Å; I748-I751 PolarHBondContact O-N 2.76Å; I748-Q752 WeakPolarHBondContact O-CB 3.37Å; I748-Q752 PolarHBondContact O-N 2.94Å; I748-I766 HydrophobicContact CD1-CG2 4.45Å; I748-I766 HydrophobicContact CG1-CG2 4.01Å; I748-I766 HydrophobicContact CG2-CD1 4.17Å; I748-I766 HydrophobicContact CG2-CG2 4.16Å; I748-L770 HydrophobicContact CD1-CD1 3.61Å; I748-L770 HydrophobicContact CD1-CD2 4.09Å; I748-L770 HydrophobicContact CD1-CG 4.39Å; I748-L770 HydrophobicContact CG1-CD1 4.35Å |
| 749 | G | 91.5 | Very high | 88.1 | Confident | 44 Ų | 44 | 42.5 Ų | 42.5 | 45% | 0.454 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.9 | -43 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K745 Y747 S753 | K745-G749 PolarHBondContact O-N 2.98Å; Y747-G749 PolarHBondContact O-N 3.42Å; G749-S753 PolarHBondContact O-N 2.7Å; G749-S753 VanDerWaalsContact O-N 3.12Å |
| 750 | F | 90.6 | Very high | 87.5 | Confident | 20 Ų | 20 | 41.1 Ų | 41.1 | 9% | 0.088 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.3 | -50 | 176.4 | -178.8 | -110.5 | 0 | 0 | 0 | 112.2 | V613 I616 C617 Q620 L683 A746 Y747 I748 Q752 S753 L754 | V613-F750 HydrophobicContact CG1-CD1 4.5Å; V613-F750 HydrophobicContact CG1-CE1 4.22Å; I616-F750 HydrophobicContact CB-CD1 4.46Å; I616-F750 HydrophobicContact CB-CE1 3.63Å; I616-F750 HydrophobicContact CB-CZ 3.73Å; I616-F750 HydrophobicContact CD1-CE1 4.36Å; I616-F750 HydrophobicContact CD1-CZ 3.95Å; I616-F750 HydrophobicContact CG1-CZ 4.44Å; I616-F750 HydrophobicContact CG2-CD1 4.11Å; I616-F750 HydrophobicContact CG2-CD2 4.2Å; I616-F750 HydrophobicContact CG2-CE1 3.44Å; I616-F750 VanDerWaalsContact CG2-CE1 3.44Å; I616-F750 HydrophobicContact CG2-CE2 3.58Å; I616-F750 HydrophobicContact CG2-CG 4.43Å; I616-F750 HydrophobicContact CG2-CZ 3.16Å; C617-F750 VanDerWaalsContact SG-CD1 3.57Å; Q620-F750 HydrophobicContact CG-CD2 4.4Å; Q620-F750 HydrophobicContact CG-CG 4.47Å; L683-F750 HydrophobicContact CD2-CZ 3.99Å; A746-F750 PolarHBondContact O-N 3.44Å; A746-F750 VanDerWaalsContact O-N 3.09Å; Y747-F750 PolarHBondContact O-N 3.18Å; I748-F750 VanDerWaalsContact C-N 3.32Å; I748-F750 PolarHBondContact O-N 2.86Å; F750-Q752 VanDerWaalsContact C-N 3.28Å; F750-Q752 PolarHBondContact O-N 3.21Å; F750-S753 WeakPolarHBondContact O-CA 3.41Å; F750-S753 WeakPolarHBondContact O-CB 3.39Å; F750-S753 PolarHBondContact O-N 3.36Å; F750-S753 PolarHBondContact O-OG 3.36Å; F750-L754 HydrophobicContact CD1-CD1 3.94Å; F750-L754 HydrophobicContact CD1-CG 4.49Å; F750-L754 HydrophobicContact CE1-CD1 3.36Å; F750-L754 HydrophobicContact CE1-CG 4.1Å; F750-L754 HydrophobicContact CE2-CD1 4.37Å; F750-L754 HydrophobicContact CE2-CD2 4.23Å; F750-L754 HydrophobicContact CE2-CG 4.27Å; F750-L754 HydrophobicContact CZ-CD1 3.59Å; F750-L754 HydrophobicContact CZ-CD2 3.99Å; F750-L754 HydrophobicContact CZ-CG 3.95Å; F750-L754 PolarHBondContact O-N 3.01Å; F750-L754 VanDerWaalsContact O-N 3.13Å |
| 751 | I | 91.6 | Very high | 87 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 179.7 | -66.1 | 170.4 | 0 | 0 | 0 | 111 | V613 L713 L717 Y747 I748 S753 L754 A755 A762 I766 | V613-I751 HydrophobicContact CG1-CG1 4.07Å; L713-I751 HydrophobicContact CD2-CG2 4.01Å; L717-I751 HydrophobicContact CD1-CD1 3.87Å; L717-I751 HydrophobicContact CD2-CD1 4.02Å; L717-I751 HydrophobicContact CG-CD1 4.47Å; Y747-I751 VanDerWaalsContact O-CG1 3.3Å; Y747-I751 WeakPolarHBondContact O-CG1 3.41Å; Y747-I751 PolarHBondContact O-N 3.37Å; I748-I751 PolarHBondContact O-N 2.76Å; I751-S753 VanDerWaalsContact C-N 3.3Å; I751-S753 PolarHBondContact O-N 2.9Å; I751-L754 WeakPolarHBondContact O-CB 3.42Å; I751-L754 PolarHBondContact O-N 3.28Å; I751-L754 VanDerWaalsContact O-N 3.1Å; I751-A755 PolarHBondContact O-N 3.15Å; I751-A762 HydrophobicContact CG2-CB 4.12Å; I751-I766 HydrophobicContact CB-CD1 4.18Å; I751-I766 HydrophobicContact CG2-CD1 3.9Å; I751-I766 HydrophobicContact CG2-CG1 4.05Å |
| 752 | Q | 90 | Very high | 86.7 | Confident | 89 Ų | 89 | 44.3 Ų | 44.3 | 42% | 0.416 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 176 | -169.9 | 68.3 | 22.7 | 0 | 0 | 111.8 | I748 F750 L754 A755 S763 I766 | I748-Q752 WeakPolarHBondContact O-CB 3.37Å; I748-Q752 PolarHBondContact O-N 2.94Å; F750-Q752 VanDerWaalsContact C-N 3.28Å; F750-Q752 PolarHBondContact O-N 3.21Å; Q752-L754 PolarHBondContact O-N 3.32Å; Q752-A755 VanDerWaalsContact O-CB 3.28Å; Q752-A755 WeakPolarHBondContact O-CB 3.45Å; Q752-A755 PolarHBondContact O-N 2.91Å; Q752-S763 PolarHBondContact NE2-OG 2.97Å; Q752-S763 PolarHBondContact OE1-OG 2.78Å; Q752-I766 HydrophobicContact CB-CD1 4.32Å |
| 753 | S | 87.3 | Confident | 86.5 | Confident | 65 Ų | 65 | 45 Ų | 45 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.5 | -25.9 | 174.7 | 79.8 | 0 | 0 | 0 | 0 | 113.1 | G749 F750 I751 | G749-S753 PolarHBondContact O-N 2.7Å; G749-S753 VanDerWaalsContact O-N 3.12Å; F750-S753 WeakPolarHBondContact O-CA 3.41Å; F750-S753 WeakPolarHBondContact O-CB 3.39Å; F750-S753 PolarHBondContact O-N 3.36Å; F750-S753 PolarHBondContact O-OG 3.36Å; I751-S753 VanDerWaalsContact C-N 3.3Å; I751-S753 PolarHBondContact O-N 2.9Å |
| 754 | L | 82.6 | Confident | 86.4 | Confident | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -82.3 | -10.3 | 178.4 | -66.9 | 179.7 | 0 | 0 | 0 | 114.2 | V613 L683 F750 I751 Q752 Q756 F757 L758 | V613-L754 HydrophobicContact CB-CD1 4.48Å; V613-L754 HydrophobicContact CG1-CD1 3.92Å; V613-L754 HydrophobicContact CG2-CD1 3.83Å; L683-L754 HydrophobicContact CD2-CD1 3.8Å; L683-L754 HydrophobicContact CD2-CD2 3.72Å; L683-L754 HydrophobicContact CD2-CG 4.43Å; F750-L754 HydrophobicContact CD1-CD1 3.94Å; F750-L754 HydrophobicContact CD1-CG 4.49Å; F750-L754 HydrophobicContact CE1-CD1 3.36Å; F750-L754 HydrophobicContact CE1-CG 4.1Å; F750-L754 HydrophobicContact CE2-CD1 4.37Å; F750-L754 HydrophobicContact CE2-CD2 4.23Å; F750-L754 HydrophobicContact CE2-CG 4.27Å; F750-L754 HydrophobicContact CZ-CD1 3.59Å; F750-L754 HydrophobicContact CZ-CD2 3.99Å; F750-L754 HydrophobicContact CZ-CG 3.95Å; F750-L754 PolarHBondContact O-N 3.01Å; F750-L754 VanDerWaalsContact O-N 3.13Å; I751-L754 WeakPolarHBondContact O-CB 3.42Å; I751-L754 PolarHBondContact O-N 3.28Å; I751-L754 VanDerWaalsContact O-N 3.1Å; Q752-L754 PolarHBondContact O-N 3.32Å; L754-Q756 PolarHBondContact O-N 3.17Å; L754-F757 PolarHBondContact O-N 2.94Å; L754-L758 HydrophobicContact CB-CD1 3.8Å; L754-L758 HydrophobicContact CB-CG 4.24Å; L754-L758 HydrophobicContact CD1-CD1 4.05Å; L754-L758 PolarHBondContact O-N 2.98Å; L754-L758 VanDerWaalsContact O-N 3.15Å |
| 755 | A | 77.3 | Confident | 86.2 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 26% | 0.256 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -34 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I751 Q752 A762 | I751-A755 PolarHBondContact O-N 3.15Å; Q752-A755 VanDerWaalsContact O-CB 3.28Å; Q752-A755 WeakPolarHBondContact O-CB 3.45Å; Q752-A755 PolarHBondContact O-N 2.91Å; A755-A762 HydrophobicContact CB-CB 3.68Å |
| 756 | Q | 74.7 | Confident | 86.2 | Confident | 168 Ų | 168 | 43.8 Ų | 43.8 | 79% | 0.785 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -19.6 | -179.2 | -64.6 | 179.8 | -3.2 | 0 | 0 | 113.6 | L754 | L754-Q756 PolarHBondContact O-N 3.17Š|
| 757 | F | 78.2 | Confident | 86.1 | Confident | 126 Ų | 126 | 51 Ų | 51 | 55% | 0.553 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -31.3 | -171.6 | -58.9 | -74.6 | 0 | 0 | 0 | 113.1 | L754 | L754-F757 PolarHBondContact O-N 2.94Š|
| 758 | L | 74.8 | Confident | 86.1 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -88.3 | -9.7 | -173.6 | -69.4 | 176 | 0 | 0 | 0 | 114.8 | T609 V613 L683 A687 L709 L754 A760 | T609-L758 HydrophobicContact CG2-CD2 3.93Å; V613-L758 HydrophobicContact CG2-CD1 4.17Å; L683-L758 HydrophobicContact CD1-CD2 4.1Å; A687-L758 HydrophobicContact CB-CD2 3.8Å; L709-L758 HydrophobicContact CD2-CB 4.01Å; L709-L758 HydrophobicContact CD2-CD1 4.43Å; L709-L758 HydrophobicContact CD2-CD2 4.07Å; L709-L758 HydrophobicContact CD2-CG 4.41Å; L754-L758 HydrophobicContact CB-CD1 3.8Å; L754-L758 HydrophobicContact CB-CG 4.24Å; L754-L758 HydrophobicContact CD1-CD1 4.05Å; L754-L758 PolarHBondContact O-N 2.98Å; L754-L758 VanDerWaalsContact O-N 3.15Å; L758-A760 HydrophobicContact CB-CB 4.43Å; L758-A760 PolarHBondContact O-N 2.91Å; L758-A760 VanDerWaalsContact O-N 3.08Å |
| 759 | G | 70.8 | Confident | 86.1 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 38% | 0.381 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 64.2 | 10.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S706 | S706-G759 WeakPolarHBondContact CB-O 3.28Š|
| 760 | A | 80.3 | Confident | 86.3 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -105.1 | 146.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L709 L758 A762 | L709-A760 HydrophobicContact CD2-CB 4.37Å; L758-A760 HydrophobicContact CB-CB 4.43Å; L758-A760 PolarHBondContact O-N 2.91Å; L758-A760 VanDerWaalsContact O-N 3.08Å; A760-A762 VanDerWaalsContact C-N 3.31Å; A760-A762 PolarHBondContact O-N 2.57Å |
| 761 | D | 85.1 | Confident | 86.5 | Confident | 86 Ų | 86 | 55 Ų | 55 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | trans | -76.3 | 83.6 | 174.5 | -173.2 | -12.3 | 0 | 0 | 0 | 110.5 | S763 R764 V765 | D761-S763 PolarHBondContact O-N 3.32Å; D761-S763 WeakPolarHBondContact OD1-CB 3.08Å; D761-S763 PolarHBondContact OD1-N 3.03Å; D761-S763 VanDerWaalsContact OD1-N 3.13Å; D761-R764 HydrophobicContact CB-CB 3.96Å; D761-R764 VanDerWaalsContact CG-CB 3.45Å; D761-R764 PolarHBondContact O-N 3.45Å; D761-R764 VanDerWaalsContact O-N 3.16Å; D761-R764 PolarHBondContact OD1-N 3.07Å; D761-R764 WeakPolarHBondContact OD2-CB 3.45Å; D761-V765 WeakPolarHBondContact O-CG2 3.49Å; D761-V765 PolarHBondContact O-N 3.21Å; D761-V765 VanDerWaalsContact O-N 3.08Å | ||
| 762 | A | 87.8 | Confident | 86.7 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 5% | 0.05 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.3 | -35.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I751 A755 A760 V765 I766 | I751-A762 HydrophobicContact CG2-CB 4.12Å; A755-A762 HydrophobicContact CB-CB 3.68Å; A760-A762 VanDerWaalsContact C-N 3.31Å; A760-A762 PolarHBondContact O-N 2.57Å; A762-V765 PolarHBondContact O-N 3.21Å; A762-I766 WeakPolarHBondContact O-CB 3.43Å; A762-I766 WeakPolarHBondContact O-CD1 3.48Å; A762-I766 WeakPolarHBondContact O-CG1 3.42Å; A762-I766 PolarHBondContact O-N 3.28Å |
| 763 | S | 89.9 | Confident | 87 | Confident | 45 Ų | 45 | 52.2 Ų | 52.2 | 32% | 0.315 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.9 | -35.8 | -179.3 | -66 | 0 | 0 | 0 | 0 | 112 | Q752 D761 R767 | Q752-S763 PolarHBondContact NE2-OG 2.97Å; Q752-S763 PolarHBondContact OE1-OG 2.78Å; D761-S763 PolarHBondContact O-N 3.32Å; D761-S763 WeakPolarHBondContact OD1-CB 3.08Å; D761-S763 PolarHBondContact OD1-N 3.03Å; D761-S763 VanDerWaalsContact OD1-N 3.13Å; S763-R767 WeakPolarHBondContact O-CB 3.4Å; S763-R767 PolarHBondContact O-N 3.46Å; S763-R767 VanDerWaalsContact O-N 3.16Å |
| 764 | R | 91.3 | Very high | 87.4 | Confident | 90 Ų | 90 | 49.8 Ų | 49.8 | 34% | 0.34 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.8 | -48.8 | 170.1 | -176.9 | 178.9 | 70.6 | 162 | 0.3 | 111.3 | E707 D761 I766 R767 N768 | E707-R764 IonicContact OE1-NH2 2.82Å; E707-R764 PolarHBondContact OE1-NH2 3.41Å; E707-R764 IonicContact OE2-CZ 3.57Å; E707-R764 IonicContact OE2-NH1 2.74Å; E707-R764 IonicContact OE2-NH2 3.93Å; E707-R764 PolarHBondContact OE2-NH2 3Å; D761-R764 HydrophobicContact CB-CB 3.96Å; D761-R764 VanDerWaalsContact CG-CB 3.45Å; D761-R764 PolarHBondContact O-N 3.45Å; D761-R764 VanDerWaalsContact O-N 3.16Å; D761-R764 PolarHBondContact OD1-N 3.07Å; D761-R764 WeakPolarHBondContact OD2-CB 3.45Å; R764-I766 PolarHBondContact O-N 2.91Å; R764-R767 PolarHBondContact O-N 3.4Å; R764-N768 WeakPolarHBondContact O-CB 3.27Å; R764-N768 VanDerWaalsContact O-CG 3.32Å; R764-N768 PolarHBondContact O-N 3.36Å |
| 765 | V | 91.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.6 | -49.9 | -179.4 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | L713 E714 L717 D761 A762 R767 N768 A769 | L713-V765 HydrophobicContact CB-CG1 4.21Å; L713-V765 HydrophobicContact CD2-CG1 4.05Å; L713-V765 HydrophobicContact CG-CG1 4.18Å; E714-V765 HydrophobicContact CB-CG1 3.98Å; L717-V765 HydrophobicContact CD2-CG1 4.48Å; D761-V765 WeakPolarHBondContact O-CG2 3.49Å; D761-V765 PolarHBondContact O-N 3.21Å; D761-V765 VanDerWaalsContact O-N 3.08Å; A762-V765 PolarHBondContact O-N 3.21Å; V765-R767 PolarHBondContact O-N 3.36Å; V765-N768 PolarHBondContact O-N 3.2Å; V765-A769 WeakPolarHBondContact O-CB 3.43Å; V765-A769 PolarHBondContact O-N 3.12Å |
| 766 | I | 93.1 | Very high | 88.9 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | -179.6 | -67.9 | 166.5 | 0 | 0 | 0 | 110.5 | L717 I748 I751 Q752 A762 R764 N768 A769 L770 | L717-I766 HydrophobicContact CD2-CG1 4.36Å; I748-I766 HydrophobicContact CD1-CG2 4.45Å; I748-I766 HydrophobicContact CG1-CG2 4.01Å; I748-I766 HydrophobicContact CG2-CD1 4.17Å; I748-I766 HydrophobicContact CG2-CG2 4.16Å; I751-I766 HydrophobicContact CB-CD1 4.18Å; I751-I766 HydrophobicContact CG2-CD1 3.9Å; I751-I766 HydrophobicContact CG2-CG1 4.05Å; Q752-I766 HydrophobicContact CB-CD1 4.32Å; A762-I766 WeakPolarHBondContact O-CB 3.43Å; A762-I766 WeakPolarHBondContact O-CD1 3.48Å; A762-I766 WeakPolarHBondContact O-CG1 3.42Å; A762-I766 PolarHBondContact O-N 3.28Å; R764-I766 PolarHBondContact O-N 2.91Å; I766-N768 PolarHBondContact O-N 3.17Å; I766-A769 PolarHBondContact O-N 3.39Å; I766-L770 HydrophobicContact CG2-CD1 3.55Å; I766-L770 HydrophobicContact CG2-CG 4.19Å; I766-L770 WeakPolarHBondContact O-CB 3.24Å; I766-L770 VanDerWaalsContact O-CG 3.26Å; I766-L770 WeakPolarHBondContact O-CG 3.39Å; I766-L770 PolarHBondContact O-N 3.43Å |
| 767 | R | 93.1 | Very high | 89.9 | Confident | 164 Ų | 164 | 49.7 Ų | 49.7 | 62% | 0.619 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.9 | -46.8 | 180 | -172.5 | -164.8 | -40.1 | -101.4 | -3 | 111.7 | S763 R764 V765 L771 | S763-R767 WeakPolarHBondContact O-CB 3.4Å; S763-R767 PolarHBondContact O-N 3.46Å; S763-R767 VanDerWaalsContact O-N 3.16Å; R764-R767 PolarHBondContact O-N 3.4Å; V765-R767 PolarHBondContact O-N 3.36Å; R767-L771 WeakPolarHBondContact O-CB 3.49Å; R767-L771 PolarHBondContact O-N 3.07Å |
| 768 | N | 93.6 | Very high | 90.5 | Very high | 57 Ų | 57 | 45 Ų | 45 | 31% | 0.305 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.1 | -44.9 | -179.7 | -72.3 | -4.8 | 0 | 0 | 0 | 111.5 | E714 R764 V765 I766 Q772 | E714-N768 HydrophobicContact CG-CB 4.14Å; E714-N768 WeakPolarHBondContact OE1-CB 3.3Å; E714-N768 WeakPolarHBondContact OE2-CB 3.49Å; E714-N768 PolarHBondContact OE2-ND2 3.5Å; R764-N768 WeakPolarHBondContact O-CB 3.27Å; R764-N768 VanDerWaalsContact O-CG 3.32Å; R764-N768 PolarHBondContact O-N 3.36Å; V765-N768 PolarHBondContact O-N 3.2Å; I766-N768 PolarHBondContact O-N 3.17Å; N768-Q772 VanDerWaalsContact O-CG 3.31Å; N768-Q772 WeakPolarHBondContact O-CG 3.44Å; N768-Q772 PolarHBondContact O-N 2.99Å; N768-Q772 VanDerWaalsContact O-N 3.16Å; N768-Q772 PolarHBondContact O-NE2 3.16Å |
| 769 | A | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -51.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L717 N718 V765 I766 L771 Q772 Q773 | L717-A769 HydrophobicContact CB-CB 4.34Å; L717-A769 HydrophobicContact CD2-CB 3.79Å; L717-A769 HydrophobicContact CG-CB 3.98Å; N718-A769 VanDerWaalsContact OD1-CA 3.23Å; N718-A769 WeakPolarHBondContact OD1-CA 3.27Å; N718-A769 PolarHBondContact OD1-O 2.82Å; V765-A769 WeakPolarHBondContact O-CB 3.43Å; V765-A769 PolarHBondContact O-N 3.12Å; I766-A769 PolarHBondContact O-N 3.39Å; A769-L771 PolarHBondContact O-N 3.35Å; A769-Q772 PolarHBondContact O-N 2.95Å; A769-Q773 WeakPolarHBondContact O-CG 3.25Å; A769-Q773 PolarHBondContact O-N 3.42Å |
| 770 | L | 94.9 | Very high | 92 | Very high | 55 Ų | 55 | 52 Ų | 52 | 29% | 0.288 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | -179 | -65.6 | 174.3 | 0 | 0 | 0 | 112.6 | I721 V744 I748 I766 Q772 Q773 T774 | I721-L770 HydrophobicContact CD1-CD2 3.9Å; V744-L770 HydrophobicContact CG1-CD2 3.96Å; I748-L770 HydrophobicContact CD1-CD1 3.61Å; I748-L770 HydrophobicContact CD1-CD2 4.09Å; I748-L770 HydrophobicContact CD1-CG 4.39Å; I748-L770 HydrophobicContact CG1-CD1 4.35Å; I766-L770 HydrophobicContact CG2-CD1 3.55Å; I766-L770 HydrophobicContact CG2-CG 4.19Å; I766-L770 WeakPolarHBondContact O-CB 3.24Å; I766-L770 VanDerWaalsContact O-CG 3.26Å; I766-L770 WeakPolarHBondContact O-CG 3.39Å; I766-L770 PolarHBondContact O-N 3.43Å; L770-Q772 VanDerWaalsContact C-N 3.32Å; L770-Q772 PolarHBondContact O-N 3.01Å; L770-Q773 WeakPolarHBondContact O-CB 3.3Å; L770-Q773 PolarHBondContact O-N 3.46Å; L770-Q773 VanDerWaalsContact O-N 3.14Å; L770-T774 PolarHBondContact O-N 3.08Å |
| 771 | L | 95.4 | Very high | 92.5 | Very high | 91 Ų | 91 | 53.7 Ų | 53.7 | 48% | 0.476 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 179.4 | -176.2 | 62.7 | 0 | 0 | 0 | 111.4 | R767 A769 Q773 T774 Y847 | R767-L771 WeakPolarHBondContact O-CB 3.49Å; R767-L771 PolarHBondContact O-N 3.07Å; A769-L771 PolarHBondContact O-N 3.35Å; L771-Q773 VanDerWaalsContact C-N 3.27Å; L771-Q773 PolarHBondContact O-N 2.94Å; L771-T774 WeakPolarHBondContact O-CB 3.26Å; L771-T774 PolarHBondContact O-N 3.48Å; L771-T774 VanDerWaalsContact O-N 3.16Å; L771-T774 PolarHBondContact O-OG1 3.33Å; L771-Y847 HydrophobicContact CD1-CD2 4.27Å; L771-Y847 HydrophobicContact CD1-CE2 4.12Å |
| 772 | Q | 94.6 | Very high | 92.8 | Very high | 29 Ų | 29 | 55.7 Ų | 55.7 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.4 | -39.6 | 174.4 | -74.7 | 178.9 | 60.3 | 0 | 0 | 111.5 | E714 N718 N768 A769 L770 T774 Q775 D778 S779 T784 | E714-Q772 PolarHBondContact OE1-NE2 3.13Å; N718-Q772 PolarHBondContact ND2-OE1 3.4Å; N768-Q772 VanDerWaalsContact O-CG 3.31Å; N768-Q772 WeakPolarHBondContact O-CG 3.44Å; N768-Q772 PolarHBondContact O-N 2.99Å; N768-Q772 VanDerWaalsContact O-N 3.16Å; N768-Q772 PolarHBondContact O-NE2 3.16Å; A769-Q772 PolarHBondContact O-N 2.95Å; L770-Q772 VanDerWaalsContact C-N 3.32Å; L770-Q772 PolarHBondContact O-N 3.01Å; Q772-T774 PolarHBondContact O-N 3.45Å; Q772-T774 VanDerWaalsContact O-N 3.14Å; Q772-Q775 WeakPolarHBondContact O-CB 3.47Å; Q772-Q775 PolarHBondContact O-N 3.25Å; Q772-D778 HydrophobicContact CB-CB 4.43Å; Q772-S779 VanDerWaalsContact OE1-N 3.14Å; Q772-S779 PolarHBondContact OE1-OG 2.91Å; Q772-T784 WeakPolarHBondContact O-CG2 3.12Å |
| 773 | Q | 96.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -19.6 | 178.8 | -65.9 | -52.4 | -47.7 | 0 | 0 | 114.5 | N718 I721 A769 L770 L771 Q775 T784 I785 T786 | N718-Q773 PolarHBondContact OD1-NE2 2.89Å; N718-Q773 VanDerWaalsContact OD1-NE2 3.12Å; I721-Q773 HydrophobicContact CB-CG 4.38Å; I721-Q773 HydrophobicContact CD1-CG 4.22Å; I721-Q773 HydrophobicContact CG2-CG 3.98Å; A769-Q773 WeakPolarHBondContact O-CG 3.25Å; A769-Q773 PolarHBondContact O-N 3.42Å; L770-Q773 WeakPolarHBondContact O-CB 3.3Å; L770-Q773 PolarHBondContact O-N 3.46Å; L770-Q773 VanDerWaalsContact O-N 3.14Å; L771-Q773 VanDerWaalsContact C-N 3.27Å; L771-Q773 PolarHBondContact O-N 2.94Å; Q773-Q775 VanDerWaalsContact C-N 3.34Å; Q773-T784 PolarHBondContact O-OG1 3.3Å; Q773-I785 HydrophobicContact CB-CD1 4.06Å; Q773-I785 HydrophobicContact CB-CG1 4.04Å; Q773-T786 WeakPolarHBondContact O-CB 3.34Å; Q773-T786 PolarHBondContact O-OG1 3.49Å |
| 774 | T | 96.4 | Very high | 93.5 | Very high | 14 Ų | 14 | 58 Ų | 58 | 9% | 0.086 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -15.3 | 174.8 | 73.3 | 0 | 0 | 0 | 0 | 114 | L770 L771 Q772 T786 L844 G848 | L770-T774 PolarHBondContact O-N 3.08Å; L771-T774 WeakPolarHBondContact O-CB 3.26Å; L771-T774 PolarHBondContact O-N 3.48Å; L771-T774 VanDerWaalsContact O-N 3.16Å; L771-T774 PolarHBondContact O-OG1 3.33Å; Q772-T774 PolarHBondContact O-N 3.45Å; Q772-T774 VanDerWaalsContact O-N 3.14Å; T774-T786 WeakPolarHBondContact CA-OG1 3.38Å; T774-T786 PolarHBondContact O-OG1 3.32Å; T774-L844 VanDerWaalsContact CB-O 3.3Å; T774-L844 WeakPolarHBondContact CB-O 3.24Å; T774-L844 VanDerWaalsContact CG2-O 3.28Å; T774-L844 WeakPolarHBondContact CG2-O 3.45Å; T774-G848 WeakPolarHBondContact O-CA 3.47Å; T774-G848 PolarHBondContact O-N 2.98Å |
| 775 | Q | 96.4 | Very high | 93.7 | Very high | 75 Ų | 75 | 53.8 Ų | 53.8 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -90.2 | 160.3 | 178.5 | -58.3 | -54.8 | -57.6 | 0 | 0 | 110.4 | Q772 Q773 L777 T784 | Q772-Q775 WeakPolarHBondContact O-CB 3.47Å; Q772-Q775 PolarHBondContact O-N 3.25Å; Q773-Q775 VanDerWaalsContact C-N 3.34Å; Q775-L777 VanDerWaalsContact C-N 3.33Å; Q775-L777 WeakPolarHBondContact CB-O 3.45Å; Q775-L777 PolarHBondContact O-N 2.98Å; Q775-T784 WeakPolarHBondContact O-CB 3.46Å; Q775-T784 WeakPolarHBondContact O-CG2 3.49Å; Q775-T784 PolarHBondContact O-OG1 3.14Å |
| 776 | P | 95.2 | Very high | 94 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -64.1 | -37.1 | 178.2 | -23.3 | 34.7 | 0 | 0 | 0 | 113.6 | T784 T787 F851 | P776-T784 PolarHBondContact O-N 3.47Å; P776-T784 PolarHBondContact O-OG1 3.3Å; P776-T787 VanDerWaalsContact C-OG1 3.3Å; P776-T787 VanDerWaalsContact CA-OG1 3.25Å; P776-T787 WeakPolarHBondContact CA-OG1 3.39Å; P776-T787 PolarHBondContact O-OG1 2.81Å; P776-F851 HydrophobicContact CB-CD2 4.44Å; P776-F851 HydrophobicContact CB-CE1 4.38Å; P776-F851 HydrophobicContact CB-CE2 3.98Å; P776-F851 HydrophobicContact CB-CZ 3.93Å; P776-F851 HydrophobicContact CG-CD1 4.44Å; P776-F851 HydrophobicContact CG-CD2 3.57Å; P776-F851 HydrophobicContact CG-CE1 4.41Å; P776-F851 HydrophobicContact CG-CE2 3.52Å; P776-F851 HydrophobicContact CG-CG 4.03Å; P776-F851 HydrophobicContact CG-CZ 3.96Å |
| 777 | L | 94.9 | Very high | 94.2 | Very high | 96 Ų | 96 | 53.8 Ų | 53.8 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -126 | 146.7 | 177.1 | -59.6 | 176.2 | 0 | 0 | 0 | 109.3 | Q775 E782 Q783 | Q775-L777 VanDerWaalsContact C-N 3.33Å; Q775-L777 WeakPolarHBondContact CB-O 3.45Å; Q775-L777 PolarHBondContact O-N 2.98Å; L777-E782 CarbonylContact C-O 3.52Å; L777-E782 VanDerWaalsContact CA-O 3.25Å; L777-E782 WeakPolarHBondContact CA-O 3.39Å; L777-Q783 HydrophobicContact CD2-CG 4.23Å |
| 778 | D | 92.1 | Very high | 94.3 | Very high | 26 Ų | 26 | 46.5 Ų | 46.5 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | trans | -79 | -178.9 | 173.1 | 74.9 | 7.6 | 0 | 0 | 0 | 112 | Q772 C780 G781 E782 T784 | Q772-D778 HydrophobicContact CB-CB 4.43Å; D778-C780 PolarHBondContact O-N 3.37Å; D778-C780 VanDerWaalsContact OD1-CA 3.31Å; D778-C780 WeakPolarHBondContact OD1-CA 3.25Å; D778-C780 WeakPolarHBondContact OD1-CB 3.5Å; D778-C780 PolarHBondContact OD1-N 3.27Å; D778-G781 PolarHBondContact O-N 3.23Å; D778-G781 PolarHBondContact OD1-N 3.04Å; D778-E782 PolarHBondContact N-O 3.48Å; D778-E782 PolarHBondContact OD1-N 3.44Å; D778-T784 HydrophobicContact CB-CG2 4.13Å | ||
| 779 | S | 89.1 | Confident | 94.5 | Very high | 96 Ų | 96 | 43.8 Ų | 43.8 | 67% | 0.671 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15.8 | 178.9 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | Q772 | Q772-S779 VanDerWaalsContact OE1-N 3.14Å; Q772-S779 PolarHBondContact OE1-OG 2.91Å |
| 780 | C | 87.8 | Confident | 94.6 | Very high | 96 Ų | 96 | 43.8 Ų | 43.8 | 65% | 0.649 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -3.8 | 174.6 | -64.8 | 0 | 0 | 0 | 0 | 112.8 | D778 E782 | D778-C780 PolarHBondContact O-N 3.37Å; D778-C780 VanDerWaalsContact OD1-CA 3.31Å; D778-C780 WeakPolarHBondContact OD1-CA 3.25Å; D778-C780 WeakPolarHBondContact OD1-CB 3.5Å; D778-C780 PolarHBondContact OD1-N 3.27Å; C780-E782 HydrophobicContact CB-CG 4.4Å |
| 781 | G | 90.5 | Very high | 94.6 | Very high | 45 Ų | 45 | 44 Ų | 44 | 46% | 0.464 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 82.9 | 14 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D778 | D778-G781 PolarHBondContact O-N 3.23Å; D778-G781 PolarHBondContact OD1-N 3.04Å |
| 782 | E | 92 | Very high | 94.6 | Very high | 129 Ų | 129 | 39.8 Ų | 39.8 | 60% | 0.603 | 23% | 0.229 | S | C | * | . | P | Polyproline II helix | trans | -88.8 | 153.9 | 178.3 | -64.5 | -65.6 | 146.6 | 0 | 0 | 111.6 | L777 D778 C780 | L777-E782 CarbonylContact C-O 3.52Å; L777-E782 VanDerWaalsContact CA-O 3.25Å; L777-E782 WeakPolarHBondContact CA-O 3.39Å; D778-E782 PolarHBondContact N-O 3.48Å; D778-E782 PolarHBondContact OD1-N 3.44Å; C780-E782 HydrophobicContact CB-CG 4.4Å |
| 783 | Q | 94.5 | Very high | 94.7 | Very high | 98 Ų | 98 | 38.4 Ų | 38.4 | 46% | 0.458 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -70.7 | 132.6 | 180 | -67.1 | -175.4 | -11.9 | 0 | 0 | 111.9 | L777 T787 L788 | L777-Q783 HydrophobicContact CD2-CG 4.23Å; Q783-T787 HydrophobicContact CB-CG2 4.34Å; Q783-T787 HydrophobicContact CG-CG2 4.13Å; Q783-L788 HydrophobicContact CB-CD2 4.49Å |
| 784 | T | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -93.7 | 171.4 | 178.2 | 68.7 | 0 | 0 | 0 | 0 | 112 | Q772 Q773 Q775 P776 D778 T786 T787 L788 | Q772-T784 WeakPolarHBondContact O-CG2 3.12Å; Q773-T784 PolarHBondContact O-OG1 3.3Å; Q775-T784 WeakPolarHBondContact O-CB 3.46Å; Q775-T784 WeakPolarHBondContact O-CG2 3.49Å; Q775-T784 PolarHBondContact O-OG1 3.14Å; P776-T784 PolarHBondContact O-N 3.47Å; P776-T784 PolarHBondContact O-OG1 3.3Å; D778-T784 HydrophobicContact CB-CG2 4.13Å; T784-T786 PolarHBondContact O-N 2.89Å; T784-T786 VanDerWaalsContact O-N 3.16Å; T784-T786 WeakPolarHBondContact OG1-CB 3.45Å; T784-T786 PolarHBondContact OG1-N 2.93Å; T784-T787 PolarHBondContact O-N 2.98Å; T784-T787 VanDerWaalsContact O-N 3.1Å; T784-L788 WeakPolarHBondContact O-CG 3.32Å; T784-L788 PolarHBondContact O-N 3.21Å |
| 785 | I | 96.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56 | -30.8 | 171.7 | 66.5 | -179.4 | 0 | 0 | 0 | 112.7 | I721 V722 A725 L740 Q773 T787 L788 Y789 L843 L844 | I721-I785 HydrophobicContact CG2-CD1 4.12Å; I721-I785 HydrophobicContact CG2-CG2 4.03Å; V722-I785 HydrophobicContact CG2-CG2 4.5Å; A725-I785 HydrophobicContact CB-CG2 4.06Å; L740-I785 HydrophobicContact CD2-CG2 4.4Å; Q773-I785 HydrophobicContact CB-CD1 4.06Å; Q773-I785 HydrophobicContact CB-CG1 4.04Å; I785-T787 PolarHBondContact O-N 2.98Å; I785-L788 PolarHBondContact O-N 3.4Å; I785-Y789 HydrophobicContact CB-CD2 4.23Å; I785-Y789 HydrophobicContact CB-CE2 4.37Å; I785-Y789 VanDerWaalsContact O-CD2 3.3Å; I785-Y789 WeakPolarHBondContact O-CD2 3.25Å; I785-Y789 PolarHBondContact O-N 3.22Å; I785-L843 HydrophobicContact CD1-CB 4.21Å; I785-L843 HydrophobicContact CD1-CD2 4.41Å; I785-L844 HydrophobicContact CG1-CD1 4.47Å |
| 786 | T | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.1 | -48.9 | 176.1 | -67.1 | 0 | 0 | 0 | 0 | 110.9 | Q773 T774 T784 T790 L844 F851 | Q773-T786 WeakPolarHBondContact O-CB 3.34Å; Q773-T786 PolarHBondContact O-OG1 3.49Å; T774-T786 WeakPolarHBondContact CA-OG1 3.38Å; T774-T786 PolarHBondContact O-OG1 3.32Å; T784-T786 PolarHBondContact O-N 2.89Å; T784-T786 VanDerWaalsContact O-N 3.16Å; T784-T786 WeakPolarHBondContact OG1-CB 3.45Å; T784-T786 PolarHBondContact OG1-N 2.93Å; T786-T790 WeakPolarHBondContact O-CB 3.22Å; T786-T790 PolarHBondContact O-N 2.69Å; T786-T790 PolarHBondContact O-OG1 3.07Å; T786-L844 HydrophobicContact CG2-CD2 4.47Å; T786-L844 HydrophobicContact CG2-CG 4.5Å; T786-F851 HydrophobicContact CG2-CB 4.21Å; T786-F851 HydrophobicContact CG2-CD1 3.65Å; T786-F851 HydrophobicContact CG2-CE1 4.43Å; T786-F851 HydrophobicContact CG2-CG 4.23Å |
| 787 | T | 96.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.8 | -42.7 | 177.8 | -67.3 | 0 | 0 | 0 | 0 | 111.4 | P776 Q783 T784 I785 T790 N791 | P776-T787 VanDerWaalsContact C-OG1 3.3Å; P776-T787 VanDerWaalsContact CA-OG1 3.25Å; P776-T787 WeakPolarHBondContact CA-OG1 3.39Å; P776-T787 PolarHBondContact O-OG1 2.81Å; Q783-T787 HydrophobicContact CB-CG2 4.34Å; Q783-T787 HydrophobicContact CG-CG2 4.13Å; T784-T787 PolarHBondContact O-N 2.98Å; T784-T787 VanDerWaalsContact O-N 3.1Å; I785-T787 PolarHBondContact O-N 2.98Å; T787-T790 PolarHBondContact O-N 3.02Å; T787-N791 WeakPolarHBondContact CG2-ND2 3.01Å; T787-N791 WeakPolarHBondContact O-CB 3.43Å; T787-N791 VanDerWaalsContact O-CG 3.23Å; T787-N791 PolarHBondContact O-N 3.18Å; T787-N791 PolarHBondContact O-ND2 3.42Å |
| 788 | L | 96.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 6% | 0.058 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -50.7 | -178.5 | -62.7 | -179.8 | 0 | 0 | 0 | 112.3 | V722 Y727 I734 Q783 T784 I785 N791 W792 | V722-L788 HydrophobicContact CG1-CD1 3.97Å; Y727-L788 HydrophobicContact CD1-CD2 3.6Å; Y727-L788 HydrophobicContact CE1-CD2 4.03Å; Y727-L788 HydrophobicContact CG-CD2 4.08Å; I734-L788 HydrophobicContact CD1-CB 4.35Å; Q783-L788 HydrophobicContact CB-CD2 4.49Å; T784-L788 WeakPolarHBondContact O-CG 3.32Å; T784-L788 PolarHBondContact O-N 3.21Å; I785-L788 PolarHBondContact O-N 3.4Å; L788-N791 PolarHBondContact O-N 2.65Å; L788-W792 WeakPolarHBondContact O-CB 3.28Å; L788-W792 PolarHBondContact O-N 3.35Å |
| 789 | Y | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.4 | -40.5 | 177.3 | -81.4 | -73 | 0 | 0 | 0 | 111.9 | I734 V735 P737 L740 I785 N791 W792 Y793 L840 | I734-Y789 HydrophobicContact CD1-CD1 3.64Å; I734-Y789 HydrophobicContact CD1-CD2 4.25Å; I734-Y789 HydrophobicContact CD1-CE1 3.59Å; I734-Y789 HydrophobicContact CD1-CE2 4.19Å; I734-Y789 HydrophobicContact CD1-CG 3.97Å; I734-Y789 HydrophobicContact CG1-CD1 4.48Å; I734-Y789 HydrophobicContact CG1-CE1 3.96Å; I734-Y789 HydrophobicContact CG2-CE1 4.23Å; V735-Y789 WeakPolarHBondContact O-CE1 3.47Å; V735-Y789 PolarHBondContact O-OH 3.16Å; P737-Y789 HydrophobicContact CG-CD1 4.49Å; P737-Y789 HydrophobicContact CG-CE1 3.97Å; L740-Y789 HydrophobicContact CD2-CE2 3.47Å; L740-Y789 VanDerWaalsContact CD2-CE2 3.47Å; L740-Y789 VanDerWaalsContact CD2-OH 3.31Å; L740-Y789 WeakPolarHBondContact CD2-OH 3.46Å; I785-Y789 HydrophobicContact CB-CD2 4.23Å; I785-Y789 HydrophobicContact CB-CE2 4.37Å; I785-Y789 VanDerWaalsContact O-CD2 3.3Å; I785-Y789 WeakPolarHBondContact O-CD2 3.25Å; I785-Y789 PolarHBondContact O-N 3.22Å; Y789-N791 VanDerWaalsContact C-N 3.35Å; Y789-N791 PolarHBondContact O-N 2.99Å; Y789-W792 PolarHBondContact O-N 3.22Å; Y789-Y793 AromaticContact CD1-CE2 3.95Å; Y789-Y793 HydrophobicContact CD1-CE2 3.95Å; Y789-Y793 HydrophobicContact CG-CE2 4.46Å; Y789-Y793 WeakPolarHBondContact O-CD2 3.42Å; Y789-Y793 PolarHBondContact O-N 3.08Å; Y789-L840 HydrophobicContact CD1-CD1 4.14Å; Y789-L840 HydrophobicContact CD2-CD1 4.26Å; Y789-L840 HydrophobicContact CG-CD1 3.87Å |
| 790 | T | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -48.9 | 177.7 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | T786 T787 W792 L794 F851 L852 N855 | T786-T790 WeakPolarHBondContact O-CB 3.22Å; T786-T790 PolarHBondContact O-N 2.69Å; T786-T790 PolarHBondContact O-OG1 3.07Å; T787-T790 PolarHBondContact O-N 3.02Å; T790-W792 PolarHBondContact O-N 3.48Å; T790-L794 HydrophobicContact CG2-CD1 3.95Å; T790-L794 WeakPolarHBondContact O-CD1 3.3Å; T790-L794 VanDerWaalsContact O-CG 3.29Å; T790-L794 WeakPolarHBondContact O-CG 3.5Å; T790-L794 PolarHBondContact O-N 3.43Å; T790-F851 HydrophobicContact CG2-CD1 4.21Å; T790-F851 HydrophobicContact CG2-CE1 3.99Å; T790-L852 HydrophobicContact CG2-CD1 3.95Å; T790-N855 HydrophobicContact CG2-CB 3.84Å |
| 791 | N | 94.8 | Very high | 93.8 | Very high | 59 Ų | 59 | 31.9 Ų | 31.9 | 32% | 0.316 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.2 | -43 | 177.1 | -70.7 | -20.7 | 0 | 0 | 0 | 111.8 | T787 L788 Y789 L794 E795 | T787-N791 WeakPolarHBondContact CG2-ND2 3.01Å; T787-N791 WeakPolarHBondContact O-CB 3.43Å; T787-N791 VanDerWaalsContact O-CG 3.23Å; T787-N791 PolarHBondContact O-N 3.18Å; T787-N791 PolarHBondContact O-ND2 3.42Å; L788-N791 PolarHBondContact O-N 2.65Å; Y789-N791 VanDerWaalsContact C-N 3.35Å; Y789-N791 PolarHBondContact O-N 2.99Å; N791-L794 PolarHBondContact O-N 2.88Å; N791-E795 WeakPolarHBondContact O-CB 3.31Å; N791-E795 PolarHBondContact O-N 2.91Å |
| 792 | W | 95.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.7 | -44.5 | -178.9 | -174.9 | 88.9 | 0 | 0 | 0 | 112.7 | Y727 Q732 I734 L788 Y789 T790 L794 S796 L797 F826 F831 | Y727-W792 HydrophobicContact CE2-CB 4.4Å; Q732-W792 PolarHBondContact O-NE1 3.22Å; I734-W792 HydrophobicContact CB-CG 4.22Å; I734-W792 HydrophobicContact CD1-CB 4.27Å; I734-W792 HydrophobicContact CG2-CB 4.43Å; I734-W792 HydrophobicContact CG2-CD2 3.45Å; I734-W792 VanDerWaalsContact CG2-CD2 3.45Å; I734-W792 VanDerWaalsContact CG2-CE2 3.47Å; I734-W792 HydrophobicContact CG2-CE3 4.02Å; I734-W792 HydrophobicContact CG2-CG 3.61Å; I734-W792 HydrophobicContact CG2-CZ2 4.06Å; L788-W792 WeakPolarHBondContact O-CB 3.28Å; L788-W792 PolarHBondContact O-N 3.35Å; Y789-W792 PolarHBondContact O-N 3.22Å; T790-W792 PolarHBondContact O-N 3.48Å; W792-L794 VanDerWaalsContact C-N 3.32Å; W792-L794 PolarHBondContact O-N 3.3Å; W792-S796 WeakPolarHBondContact O-CA 3.4Å; W792-S796 WeakPolarHBondContact O-CB 3.46Å; W792-S796 PolarHBondContact O-N 3.06Å; W792-S796 PolarHBondContact O-OG 3.07Å; W792-L797 HydrophobicContact CH2-CD1 4.49Å; W792-L797 HydrophobicContact CZ3-CB 4.25Å; W792-L797 HydrophobicContact CZ3-CD1 4.24Å; W792-L797 PolarHBondContact O-N 2.71Å; W792-F826 AromaticContact CH2-CD2 3.86Å; W792-F826 HydrophobicContact CH2-CD2 3.86Å; W792-F826 AromaticContact CH2-CE2 3.77Å; W792-F826 HydrophobicContact CH2-CE2 3.77Å; W792-F826 HydrophobicContact CH2-CG 4.34Å; W792-F826 HydrophobicContact CH2-CZ 4.15Å; W792-F826 AromaticContact CZ2-CD1 3.95Å; W792-F826 HydrophobicContact CZ2-CD1 3.95Å; W792-F826 AromaticContact CZ2-CD2 3.92Å; W792-F826 HydrophobicContact CZ2-CD2 3.92Å; W792-F826 AromaticContact CZ2-CE1 3.99Å; W792-F826 HydrophobicContact CZ2-CE1 3.99Å; W792-F826 AromaticContact CZ2-CE2 3.98Å; W792-F826 HydrophobicContact CZ2-CE2 3.98Å; W792-F826 AromaticContact CZ2-CG 3.92Å; W792-F826 HydrophobicContact CZ2-CG 3.92Å; W792-F826 HydrophobicContact CZ2-CZ 4.02Å; W792-F831 HydrophobicContact CH2-CB 3.81Å; W792-F831 AromaticContact CH2-CD1 3.4Å; W792-F831 HydrophobicContact CH2-CD1 3.4Å; W792-F831 AromaticContact CH2-CD2 3.83Å; W792-F831 HydrophobicContact CH2-CD2 3.83Å; W792-F831 AromaticContact CH2-CE1 3.83Å; W792-F831 HydrophobicContact CH2-CE1 3.83Å; W792-F831 HydrophobicContact CH2-CE2 4.23Å; W792-F831 AromaticContact CH2-CG 3.39Å; W792-F831 HydrophobicContact CH2-CG 3.39Å; W792-F831 HydrophobicContact CH2-CZ 4.22Å; W792-F831 HydrophobicContact CZ2-CD1 4.14Å; W792-F831 HydrophobicContact CZ2-CE1 4.1Å; W792-F831 HydrophobicContact CZ2-CE2 4.48Å; W792-F831 HydrophobicContact CZ2-CG 4.34Å; W792-F831 HydrophobicContact CZ2-CZ 4.27Å; W792-F831 HydrophobicContact CZ3-CB 3.88Å; W792-F831 AromaticContact CZ3-CD1 3.62Å; W792-F831 HydrophobicContact CZ3-CD1 3.62Å; W792-F831 HydrophobicContact CZ3-CE1 4.31Å; W792-F831 AromaticContact CZ3-CG 3.82Å; W792-F831 HydrophobicContact CZ3-CG 3.82Å |
| 793 | Y | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -62.7 | -39 | 177.4 | -79.7 | -64.4 | 0 | 0 | 0 | 112.2 | P737 Y789 L797 L798 F831 M837 L840 F917 | P737-Y793 WeakPolarHBondContact CG-OH 3.25Å; Y789-Y793 AromaticContact CD1-CE2 3.95Å; Y789-Y793 HydrophobicContact CD1-CE2 3.95Å; Y789-Y793 HydrophobicContact CG-CE2 4.46Å; Y789-Y793 WeakPolarHBondContact O-CD2 3.42Å; Y789-Y793 PolarHBondContact O-N 3.08Å; Y793-L797 HydrophobicContact CD1-CB 4.29Å; Y793-L797 HydrophobicContact CD1-CD1 4.03Å; Y793-L797 HydrophobicContact CE1-CD1 4.13Å; Y793-L797 PolarHBondContact O-N 2.98Å; Y793-L798 WeakPolarHBondContact O-CB 3.41Å; Y793-L798 WeakPolarHBondContact O-CG 3.49Å; Y793-L798 PolarHBondContact O-N 3.46Å; Y793-F831 HydrophobicContact CE1-CB 4.39Å; Y793-F831 WeakPolarHBondContact CE1-O 3.24Å; Y793-F831 PolarHBondContact OH-O 2.95Å; Y793-M837 HydrophobicContact CE1-CE 4.02Å; Y793-L840 HydrophobicContact CD2-CD2 4.26Å; Y793-L840 HydrophobicContact CE2-CD1 3.92Å; Y793-L840 HydrophobicContact CE2-CD2 3.46Å; Y793-L840 VanDerWaalsContact CE2-CD2 3.46Å; Y793-L840 HydrophobicContact CE2-CG 4.33Å; Y793-F917 HydrophobicContact CD1-CE1 4.49Å; Y793-F917 AromaticContact CD1-CE2 3.63Å; Y793-F917 HydrophobicContact CD1-CE2 3.63Å; Y793-F917 AromaticContact CD1-CZ 3.41Å; Y793-F917 HydrophobicContact CD1-CZ 3.41Å; Y793-F917 VanDerWaalsContact CD1-CZ 3.41Å; Y793-F917 HydrophobicContact CD2-CZ 4.08Å; Y793-F917 AromaticContact CE1-CE2 3.9Å; Y793-F917 HydrophobicContact CE1-CE2 3.9Å; Y793-F917 AromaticContact CE1-CZ 3.84Å; Y793-F917 HydrophobicContact CE1-CZ 3.84Å; Y793-F917 HydrophobicContact CE2-CZ 4.47Å; Y793-F917 HydrophobicContact CG-CE1 4.32Å; Y793-F917 HydrophobicContact CG-CE2 4.25Å; Y793-F917 AromaticContact CG-CZ 3.56Å; Y793-F917 HydrophobicContact CG-CZ 3.56Å |
| 794 | L | 93.2 | Very high | 92.4 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 8% | 0.079 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -70.4 | -54.8 | 178.6 | -70.6 | 169.1 | 0 | 0 | 0 | 112 | T790 N791 W792 L798 R799 N855 L856 H859 | T790-L794 HydrophobicContact CG2-CD1 3.95Å; T790-L794 WeakPolarHBondContact O-CD1 3.3Å; T790-L794 VanDerWaalsContact O-CG 3.29Å; T790-L794 WeakPolarHBondContact O-CG 3.5Å; T790-L794 PolarHBondContact O-N 3.43Å; N791-L794 PolarHBondContact O-N 2.88Å; W792-L794 VanDerWaalsContact C-N 3.32Å; W792-L794 PolarHBondContact O-N 3.3Å; L794-L798 HydrophobicContact CD2-CD1 4.09Å; L794-R799 PolarHBondContact O-N 3.27Å; L794-N855 HydrophobicContact CD1-CB 3.79Å; L794-L856 HydrophobicContact CD2-CD2 3.53Å; L794-L856 HydrophobicContact CD2-CG 4.34Å; L794-H859 VanDerWaalsContact CD2-CD2 3.47Å; L794-H859 WeakPolarHBondContact CD2-CD2 3.45Å |
| 795 | E | 90.4 | Very high | 91.9 | Very high | 82 Ų | 82 | 26.4 Ų | 26.4 | 38% | 0.383 | 14% | 0.141 | S | C | . | . | I | π-helix | trans | -83.1 | -23.6 | -170.7 | -70.5 | -59.4 | 141.9 | 0 | 0 | 114.1 | N791 R799 | N791-E795 WeakPolarHBondContact O-CB 3.31Å; N791-E795 PolarHBondContact O-N 2.91Å; E795-R799 VanDerWaalsContact O-CB 3.25Å; E795-R799 WeakPolarHBondContact O-CB 3.43Å; E795-R799 WeakPolarHBondContact O-CD 3.25Å; E795-R799 IonicContact OE2-NH1 2.72Å; E795-R799 PolarHBondContact OE2-NH1 3.29Å |
| 796 | S | 90.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -104.9 | -64.8 | -178.9 | -47.5 | 0 | 0 | 0 | 0 | 111.2 | W792 Q800 | W792-S796 WeakPolarHBondContact O-CA 3.4Å; W792-S796 WeakPolarHBondContact O-CB 3.46Å; W792-S796 PolarHBondContact O-N 3.06Å; W792-S796 PolarHBondContact O-OG 3.07Å; S796-Q800 VanDerWaalsContact O-CB 3.3Å; S796-Q800 WeakPolarHBondContact O-CB 3.33Å; S796-Q800 VanDerWaalsContact O-CG 3.23Å; S796-Q800 WeakPolarHBondContact O-CG 3.44Å; S796-Q800 PolarHBondContact O-N 3.21Å |
| 797 | L | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -70.9 | -56.7 | -172.8 | -170.2 | 152.4 | 0 | 0 | 0 | 112.5 | W792 Y793 R799 Q800 A801 I806 F815 F826 F831 F917 | W792-L797 HydrophobicContact CH2-CD1 4.49Å; W792-L797 HydrophobicContact CZ3-CB 4.25Å; W792-L797 HydrophobicContact CZ3-CD1 4.24Å; W792-L797 PolarHBondContact O-N 2.71Å; Y793-L797 HydrophobicContact CD1-CB 4.29Å; Y793-L797 HydrophobicContact CD1-CD1 4.03Å; Y793-L797 HydrophobicContact CE1-CD1 4.13Å; Y793-L797 PolarHBondContact O-N 2.98Å; L797-R799 PolarHBondContact O-N 3.36Å; L797-Q800 PolarHBondContact O-N 3.1Å; L797-A801 PolarHBondContact O-N 3.35Å; L797-I806 HydrophobicContact CG-CD1 4.47Å; L797-F815 HydrophobicContact CD2-CB 4.42Å; L797-F815 HydrophobicContact CD2-CD2 4.19Å; L797-F815 HydrophobicContact CD2-CG 4.15Å; L797-F826 HydrophobicContact CB-CE2 4.44Å; L797-F826 HydrophobicContact CB-CZ 4.34Å; L797-F826 HydrophobicContact CG-CE2 4.5Å; L797-F831 HydrophobicContact CD1-CB 4.31Å; L797-F917 HydrophobicContact CD2-CD2 4.42Å |
| 798 | L | 93.7 | Very high | 91.4 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -73.1 | -31.2 | -173.8 | -68.1 | 168.3 | 0 | 0 | 0 | 112.7 | Y793 L794 A801 S802 F815 L856 V913 F917 | Y793-L798 WeakPolarHBondContact O-CB 3.41Å; Y793-L798 WeakPolarHBondContact O-CG 3.49Å; Y793-L798 PolarHBondContact O-N 3.46Å; L794-L798 HydrophobicContact CD2-CD1 4.09Å; L798-A801 PolarHBondContact O-N 3.31Å; L798-S802 WeakPolarHBondContact O-CB 3.43Å; L798-S802 PolarHBondContact O-N 3.37Å; L798-S802 PolarHBondContact O-OG 3.48Å; L798-F815 HydrophobicContact CD2-CZ 4.4Å; L798-L856 HydrophobicContact CD1-CD2 3.35Å; L798-V913 HydrophobicContact CD2-CG1 4.01Å; L798-F917 HydrophobicContact CD1-CD1 3.99Å; L798-F917 HydrophobicContact CD1-CE1 4.46Å; L798-F917 HydrophobicContact CD1-CG 4.24Å; L798-F917 HydrophobicContact CD2-CB 3.73Å; L798-F917 HydrophobicContact CD2-CD2 4.33Å; L798-F917 HydrophobicContact CD2-CG 3.94Å; L798-F917 HydrophobicContact CG-CG 4.48Å |
| 799 | R | 90.8 | Very high | 91.2 | Very high | 157 Ų | 157 | 26.5 Ų | 26.5 | 59% | 0.592 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -62.3 | -44.1 | 171.2 | -171.5 | 174.6 | 178.2 | 170.4 | -7.4 | 111.8 | L794 E795 L797 S802 S803 | L794-R799 PolarHBondContact O-N 3.27Å; E795-R799 VanDerWaalsContact O-CB 3.25Å; E795-R799 WeakPolarHBondContact O-CB 3.43Å; E795-R799 WeakPolarHBondContact O-CD 3.25Å; E795-R799 IonicContact OE2-NH1 2.72Å; E795-R799 PolarHBondContact OE2-NH1 3.29Å; L797-R799 PolarHBondContact O-N 3.36Å; R799-S802 PolarHBondContact O-N 3.45Å; R799-S803 PolarHBondContact O-N 3.29Å; R799-S803 VanDerWaalsContact O-N 3.12Å |
| 800 | Q | 88.8 | Confident | 90.9 | Very high | 45 Ų | 45 | 28.4 Ų | 28.4 | 21% | 0.21 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.1 | -39 | 175.1 | -77.4 | -171.8 | 46.2 | 0 | 0 | 112.2 | S796 L797 S802 S803 G804 T805 I806 | S796-Q800 VanDerWaalsContact O-CB 3.3Å; S796-Q800 WeakPolarHBondContact O-CB 3.33Å; S796-Q800 VanDerWaalsContact O-CG 3.23Å; S796-Q800 WeakPolarHBondContact O-CG 3.44Å; S796-Q800 PolarHBondContact O-N 3.21Å; L797-Q800 PolarHBondContact O-N 3.1Å; Q800-S802 VanDerWaalsContact C-N 3.28Å; Q800-S802 PolarHBondContact O-N 2.91Å; Q800-S803 WeakPolarHBondContact CA-OG 3.22Å; Q800-S803 WeakPolarHBondContact O-CA 3.38Å; Q800-S803 WeakPolarHBondContact O-CB 2.77Å; Q800-S803 PolarHBondContact O-N 2.96Å; Q800-S803 PolarHBondContact O-OG 3.45Å; Q800-G804 PolarHBondContact O-N 3.46Å; Q800-T805 WeakPolarHBondContact CB-OG1 3.21Å; Q800-T805 PolarHBondContact O-N 3.34Å; Q800-T805 PolarHBondContact O-OG1 3.01Å; Q800-I806 HydrophobicContact CB-CD1 3.52Å; Q800-I806 HydrophobicContact CB-CG1 4.07Å |
| 801 | A | 89 | Confident | 90.6 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.3 | -39.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L797 L798 S803 G804 I806 F815 V913 | L797-A801 PolarHBondContact O-N 3.35Å; L798-A801 PolarHBondContact O-N 3.31Å; A801-S803 VanDerWaalsContact C-N 3.27Å; A801-S803 PolarHBondContact O-N 3.01Å; A801-G804 PolarHBondContact O-N 3.49Å; A801-I806 WeakPolarHBondContact CA-O 3.21Å; A801-I806 HydrophobicContact CB-CB 4.07Å; A801-I806 HydrophobicContact CB-CG2 4.33Å; A801-F815 HydrophobicContact CB-CD1 4.37Å; A801-F815 HydrophobicContact CB-CE1 4.29Å; A801-V913 HydrophobicContact CB-CG1 3.86Å |
| 802 | S | 85.9 | Confident | 90.2 | Very high | 40 Ų | 40 | 33.6 Ų | 33.6 | 28% | 0.28 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -69.1 | -23.9 | 174.9 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | L798 R799 Q800 G804 | L798-S802 WeakPolarHBondContact O-CB 3.43Å; L798-S802 PolarHBondContact O-N 3.37Å; L798-S802 PolarHBondContact O-OG 3.48Å; R799-S802 PolarHBondContact O-N 3.45Å; Q800-S802 VanDerWaalsContact C-N 3.28Å; Q800-S802 PolarHBondContact O-N 2.91Å; S802-G804 VanDerWaalsContact C-N 3.33Å |
| 803 | S | 82.4 | Confident | 90 | Very high | 72 Ų | 72 | 38.9 Ų | 38.9 | 50% | 0.503 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -6.3 | 175 | 80.2 | 0 | 0 | 0 | 0 | 113.9 | R799 Q800 A801 T805 | R799-S803 PolarHBondContact O-N 3.29Å; R799-S803 VanDerWaalsContact O-N 3.12Å; Q800-S803 WeakPolarHBondContact CA-OG 3.22Å; Q800-S803 WeakPolarHBondContact O-CA 3.38Å; Q800-S803 WeakPolarHBondContact O-CB 2.77Å; Q800-S803 PolarHBondContact O-N 2.96Å; Q800-S803 PolarHBondContact O-OG 3.45Å; A801-S803 VanDerWaalsContact C-N 3.27Å; A801-S803 PolarHBondContact O-N 3.01Å; S803-T805 PolarHBondContact OG-OG1 3.45Å |
| 804 | G | 80.3 | Confident | 90 | Very high | 21 Ų | 21 | 39 Ų | 39 | 22% | 0.216 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 18.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q800 A801 S802 R820 | Q800-G804 PolarHBondContact O-N 3.46Å; A801-G804 PolarHBondContact O-N 3.49Å; S802-G804 VanDerWaalsContact C-N 3.33Å; G804-R820 PolarHBondContact O-NH2 2.8Å |
| 805 | T | 85.6 | Confident | 90.1 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -91.3 | -24 | 173 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | Q800 S803 L818 | Q800-T805 WeakPolarHBondContact CB-OG1 3.21Å; Q800-T805 PolarHBondContact O-N 3.34Å; Q800-T805 PolarHBondContact O-OG1 3.01Å; S803-T805 PolarHBondContact OG-OG1 3.45Å; T805-L818 WeakPolarHBondContact O-CB 3.14Å; T805-L818 PolarHBondContact O-N 3.26Å |
| 806 | I | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 138.9 | 177.5 | -59.5 | 172 | 0 | 0 | 0 | 108.5 | L797 Q800 A801 F815 F826 A828 N1029 | L797-I806 HydrophobicContact CG-CD1 4.47Å; Q800-I806 HydrophobicContact CB-CD1 3.52Å; Q800-I806 HydrophobicContact CB-CG1 4.07Å; A801-I806 WeakPolarHBondContact CA-O 3.21Å; A801-I806 HydrophobicContact CB-CB 4.07Å; A801-I806 HydrophobicContact CB-CG2 4.33Å; I806-F815 HydrophobicContact CG2-CB 3.67Å; I806-F815 HydrophobicContact CG2-CD1 3.93Å; I806-F815 HydrophobicContact CG2-CG 4.24Å; I806-F826 HydrophobicContact CD1-CE2 4.25Å; I806-F826 HydrophobicContact CD1-CZ 4.2Å; I806-A828 HydrophobicContact CD1-CB 3.86Å; I806-A828 HydrophobicContact CG1-CB 4.12Å; I806-A828 HydrophobicContact CG2-CB 3.62Å; I806-N1029 PolarHBondContact O-ND2 2.86Å; I806-N1029 VanDerWaalsContact O-ND2 3.13Å |
| 807 | I | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 149.2 | 178.1 | 56.7 | 154.8 | 0 | 0 | 0 | 111.5 | F815 V816 L818 K1023 N1027 N1029 | I807-F815 CarbonylContact O-C 3.59Å; I807-F815 VanDerWaalsContact O-CA 3.26Å; I807-F815 WeakPolarHBondContact O-CA 3.38Å; I807-V816 HydrophobicContact CG1-CB 4.36Å; I807-V816 WeakPolarHBondContact CG1-O 3.42Å; I807-V816 PolarHBondContact N-O 3.44Å; I807-V816 PolarHBondContact O-N 2.85Å; I807-L818 HydrophobicContact CD1-CD2 3.96Å; I807-L818 HydrophobicContact CG1-CD2 3.98Å; I807-L818 HydrophobicContact CG1-CG 4.27Å; I807-L818 HydrophobicContact CG2-CD1 3.75Å; I807-L818 HydrophobicContact CG2-CD2 4.26Å; I807-L818 HydrophobicContact CG2-CG 4.03Å; I807-K1023 HydrophobicContact CD1-CD 3.33Å; I807-K1023 VanDerWaalsContact CD1-CE 3.41Å; I807-K1023 HydrophobicContact CD1-CG 4.04Å; I807-N1027 WeakPolarHBondContact CG2-O 3.33Å; I807-N1029 WeakPolarHBondContact CA-OD1 3.39Å; I807-N1029 WeakPolarHBondContact CB-OD1 3.29Å |
| 808 | F | 94.3 | Very high | 89.7 | Confident | 26 Ų | 26 | 37.4 Ų | 37.4 | 11% | 0.114 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 131.9 | 166.1 | -179.9 | -130.3 | 0 | 0 | 0 | 108.9 | P810 F815 M920 N1029 H1031 | F808-P810 HydrophobicContact CD1-CG 4.06Å; F808-P810 HydrophobicContact CE1-CB 4.5Å; F808-P810 HydrophobicContact CE1-CG 3.77Å; F808-P810 HydrophobicContact CZ-CG 4.35Å; F808-F815 HydrophobicContact CB-CD1 4.02Å; F808-F815 HydrophobicContact CB-CE1 3.69Å; F808-F815 HydrophobicContact CB-CZ 4.11Å; F808-F815 HydrophobicContact CD2-CD2 4.45Å; F808-F815 HydrophobicContact CD2-CE2 4.27Å; F808-F815 HydrophobicContact CD2-CZ 4.34Å; F808-F815 HydrophobicContact CG-CE1 4.45Å; F808-F815 HydrophobicContact CG-CZ 4.42Å; F808-M920 HydrophobicContact CD2-CE 4.33Å; F808-M920 HydrophobicContact CD2-SD 4.22Å; F808-M920 HydrophobicContact CE2-CE 4.1Å; F808-M920 HydrophobicContact CE2-CG 4.26Å; F808-M920 HydrophobicContact CE2-SD 3.45Å; F808-M920 WeakPolarHBondContact CE2-SD 3.39Å; F808-M920 HydrophobicContact CZ-SD 4.27Å; F808-N1029 PolarHBondContact N-OD1 2.94Å; F808-H1031 AromaticContact CD1-CD2 3.96Å; F808-H1031 AromaticContact CD1-NE2 3.55Å; F808-H1031 PolarHBondContact O-CE1 3.37Å; F808-H1031 VanDerWaalsContact O-CE1 3.28Å; F808-H1031 PolarHBondContact O-NE2 3.03Å; F808-H1031 VanDerWaalsContact O-NE2 3.1Å |
| 809 | S | 93.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 102.3 | 173.2 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | A811 M812 Q813 A814 K1023 | S809-A811 PolarHBondContact O-N 2.95Å; S809-M812 PolarHBondContact O-N 3.42Å; S809-Q813 PolarHBondContact O-N 3.02Å; S809-A814 PolarHBondContact N-O 3.42Å; S809-A814 PolarHBondContact O-N 3.42Å; S809-K1023 WeakPolarHBondContact CA-O 3.21Å; S809-K1023 WeakPolarHBondContact OG-CA 3.23Å; S809-K1023 PolarHBondContact OG-O 3.3Å |
| 810 | P | 90.6 | Very high | 87.2 | Confident | 40 Ų | 40 | 43.1 Ų | 43.1 | 26% | 0.26 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35.5 | 172.8 | -28.3 | 35.8 | 0 | 0 | 0 | 113.2 | F808 M812 Q813 K1023 D1024 | F808-P810 HydrophobicContact CD1-CG 4.06Å; F808-P810 HydrophobicContact CE1-CB 4.5Å; F808-P810 HydrophobicContact CE1-CG 3.77Å; F808-P810 HydrophobicContact CZ-CG 4.35Å; P810-M812 VanDerWaalsContact C-N 3.33Å; P810-M812 PolarHBondContact O-N 3.18Å; P810-Q813 WeakPolarHBondContact O-CG 3.35Å; P810-Q813 PolarHBondContact O-N 2.93Å; P810-K1023 VanDerWaalsContact CD-O 3.3Å; P810-K1023 WeakPolarHBondContact CD-O 3.26Å; P810-D1024 HydrophobicContact CB-CB 4.41Å; P810-D1024 WeakPolarHBondContact CG-O 3.39Å |
| 811 | A | 88.8 | Confident | 85.3 | Confident | 58 Ų | 58 | 51.1 Ų | 51.1 | 48% | 0.479 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -38.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S809 K1023 D1024 | S809-A811 PolarHBondContact O-N 2.95Å; A811-K1023 PolarHBondContact N-O 2.85Å; A811-D1024 HydrophobicContact CB-CB 3.82Å |
| 812 | M | 88.1 | Confident | 83.8 | Confident | 111 Ų | 111 | 53.9 Ų | 53.9 | 55% | 0.547 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -8.4 | 178.5 | -65.3 | -173.5 | 62.6 | 0 | 0 | 112.9 | S809 P810 A814 V816 | S809-M812 PolarHBondContact O-N 3.42Å; P810-M812 VanDerWaalsContact C-N 3.33Å; P810-M812 PolarHBondContact O-N 3.18Å; M812-A814 HydrophobicContact CB-CB 4.47Å; M812-A814 PolarHBondContact O-N 3.29Å; M812-V816 HydrophobicContact CE-CG2 4.48Å; M812-V816 HydrophobicContact SD-CG2 3.94Å |
| 813 | Q | 91.4 | Very high | 82.3 | Confident | 112 Ų | 112 | 61 Ų | 61 | 52% | 0.523 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 47.5 | -170.4 | -59.7 | -171 | -61.7 | 0 | 0 | 112.2 | S809 P810 I834 | S809-Q813 PolarHBondContact O-N 3.02Å; P810-Q813 WeakPolarHBondContact O-CG 3.35Å; P810-Q813 PolarHBondContact O-N 2.93Å; Q813-I834 HydrophobicContact CB-CD1 4.03Å; Q813-I834 HydrophobicContact CB-CG1 3.91Å |
| 814 | A | 94.9 | Very high | 81.2 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 161.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S809 M812 D833 | S809-A814 PolarHBondContact N-O 3.42Å; S809-A814 PolarHBondContact O-N 3.42Å; M812-A814 HydrophobicContact CB-CB 4.47Å; M812-A814 PolarHBondContact O-N 3.29Å; A814-D833 HydrophobicContact CB-CB 4.08Å |
| 815 | F | 94.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 134.7 | 160.9 | -75.5 | -89.9 | 0 | 0 | 0 | 109.7 | L797 L798 A801 I806 I807 F808 A828 E829 S832 V913 F917 M920 | L797-F815 HydrophobicContact CD2-CB 4.42Å; L797-F815 HydrophobicContact CD2-CD2 4.19Å; L797-F815 HydrophobicContact CD2-CG 4.15Å; L798-F815 HydrophobicContact CD2-CZ 4.4Å; A801-F815 HydrophobicContact CB-CD1 4.37Å; A801-F815 HydrophobicContact CB-CE1 4.29Å; I806-F815 HydrophobicContact CG2-CB 3.67Å; I806-F815 HydrophobicContact CG2-CD1 3.93Å; I806-F815 HydrophobicContact CG2-CG 4.24Å; I807-F815 CarbonylContact O-C 3.59Å; I807-F815 VanDerWaalsContact O-CA 3.26Å; I807-F815 WeakPolarHBondContact O-CA 3.38Å; F808-F815 HydrophobicContact CB-CD1 4.02Å; F808-F815 HydrophobicContact CB-CE1 3.69Å; F808-F815 HydrophobicContact CB-CZ 4.11Å; F808-F815 HydrophobicContact CD2-CD2 4.45Å; F808-F815 HydrophobicContact CD2-CE2 4.27Å; F808-F815 HydrophobicContact CD2-CZ 4.34Å; F808-F815 HydrophobicContact CG-CE1 4.45Å; F808-F815 HydrophobicContact CG-CZ 4.42Å; F815-A828 HydrophobicContact CB-CB 4.18Å; F815-A828 CarbonylContact O-C 3.56Å; F815-A828 WeakPolarHBondContact O-CB 3.21Å; F815-E829 WeakPolarHBondContact O-CA 3.28Å; F815-E829 PolarHBondContact O-N 2.79Å; F815-S832 WeakPolarHBondContact CA-OG 3.28Å; F815-S832 WeakPolarHBondContact CB-OG 3.09Å; F815-S832 PolarHBondContact N-OG 3.43Å; F815-S832 PolarHBondContact O-OG 3.26Å; F815-V913 HydrophobicContact CE1-CG1 3.85Å; F815-V913 HydrophobicContact CZ-CG1 4.08Å; F815-F917 HydrophobicContact CD2-CD2 4.14Å; F815-F917 HydrophobicContact CE2-CB 3.67Å; F815-F917 AromaticContact CE2-CD2 3.77Å; F815-F917 HydrophobicContact CE2-CD2 3.77Å; F815-F917 HydrophobicContact CE2-CG 4.22Å; F815-F917 HydrophobicContact CZ-CB 4Å; F815-M920 HydrophobicContact CD2-CE 3.41Å; F815-M920 VanDerWaalsContact CD2-CE 3.41Å; F815-M920 HydrophobicContact CE2-CE 3.37Å |
| 816 | V | 92.4 | Very high | 80.7 | Confident | 24 Ų | 24 | 64.5 Ų | 64.5 | 15% | 0.145 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.7 | -174.9 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | I807 M812 E829 | I807-V816 HydrophobicContact CG1-CB 4.36Å; I807-V816 WeakPolarHBondContact CG1-O 3.42Å; I807-V816 PolarHBondContact N-O 3.44Å; I807-V816 PolarHBondContact O-N 2.85Å; M812-V816 HydrophobicContact CE-CG2 4.48Å; M812-V816 HydrophobicContact SD-CG2 3.94Å; V816-E829 WeakPolarHBondContact CA-OE2 3.25Å; V816-E829 HydrophobicContact CG2-CB 4.49Å |
| 817 | S | 89.9 | Confident | 80.6 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 12% | 0.119 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 133.8 | 175.8 | -76.8 | 0 | 0 | 0 | 0 | 111.8 | Q824 A828 E829 | S817-Q824 VanDerWaalsContact CB-OE1 3.31Å; S817-A828 PolarHBondContact OG-N 3.32Å; S817-A828 VanDerWaalsContact OG-N 3.15Å; S817-E829 PolarHBondContact N-OE2 3.28Å |
| 818 | L | 83.1 | Confident | 80.5 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 14% | 0.136 | 35% | 0.354 | C | S | . | . | trans | -86.5 | 132.5 | 172.2 | -65.3 | 177.2 | 0 | 0 | 0 | 110.6 | T805 I807 R820 | T805-L818 WeakPolarHBondContact O-CB 3.14Å; T805-L818 PolarHBondContact O-N 3.26Å; I807-L818 HydrophobicContact CD1-CD2 3.96Å; I807-L818 HydrophobicContact CG1-CD2 3.98Å; I807-L818 HydrophobicContact CG1-CG 4.27Å; I807-L818 HydrophobicContact CG2-CD1 3.75Å; I807-L818 HydrophobicContact CG2-CD2 4.26Å; I807-L818 HydrophobicContact CG2-CG 4.03Å; L818-R820 PolarHBondContact O-N 3.07Å; L818-R820 VanDerWaalsContact O-N 3.08Å | ||
| 819 | P | 67.9 | Low | 80.4 | Confident | 130 Ų | 130 | 67.5 Ų | 67.5 | 84% | 0.844 | 36% | 0.362 | S | S | * | . | trans | -66.2 | 111.8 | 177.7 | 25.4 | -31.6 | 0 | 0 | 0 | 110.4 | ||||
| 820 | R | 65.6 | Low | 80.3 | Confident | 153 Ų | 153 | 71.8 Ų | 71.8 | 58% | 0.577 | 38% | 0.381 | S | S | * | . | trans | -125.2 | 146.6 | 169.4 | -69.1 | -172.7 | -179.4 | -176.7 | 3 | 109.2 | G804 L818 G822 | G804-R820 PolarHBondContact O-NH2 2.8Å; L818-R820 PolarHBondContact O-N 3.07Å; L818-R820 VanDerWaalsContact O-N 3.08Å; R820-G822 PolarHBondContact O-N 3.48Å; R820-G822 VanDerWaalsContact O-N 3.09Å | ||
| 821 | E | 47.6 | Very low | 80.5 | Confident | 213 Ų | 213 | 70.5 Ų | 70.5 | 100% | 0.995 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -71.9 | 100.3 | 173.8 | -70.2 | -172.1 | 163.7 | 0 | 0 | 109.6 | ||
| 822 | G | 56.9 | Low | 80.8 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 63% | 0.629 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 151.9 | 146.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R820 Q824 | R820-G822 PolarHBondContact O-N 3.48Å; R820-G822 VanDerWaalsContact O-N 3.09Å; G822-Q824 PolarHBondContact O-N 3.41Å |
| 823 | E | 56.3 | Low | 81.1 | Confident | 190 Ų | 190 | 64.7 Ų | 64.7 | 89% | 0.888 | 34% | 0.335 | S | S | * | . | trans | -59.2 | 101.7 | -168.8 | -69.3 | 177.4 | 162.3 | 0 | 0 | 113.4 | ||||
| 824 | Q | 58.2 | Low | 81.3 | Confident | 69 Ų | 69 | 62 Ų | 62 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | trans | -85.1 | 115.1 | 153.8 | -92.8 | 179.2 | -21.7 | 0 | 0 | 108.1 | S817 G822 F826 | S817-Q824 VanDerWaalsContact CB-OE1 3.31Å; G822-Q824 PolarHBondContact O-N 3.41Å; Q824-F826 PolarHBondContact O-N 3.36Å | ||
| 825 | N | 68.8 | Low | 81.2 | Confident | 95 Ų | 95 | 65.1 Ų | 65.1 | 51% | 0.508 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -71.3 | -16.6 | -179.8 | -65.5 | -0.3 | 0 | 0 | 0 | 112.9 | T731 | T731-N825 PolarHBondContact O-ND2 2.95Š|
| 826 | F | 86.4 | Confident | 81.3 | Confident | 27 Ų | 27 | 65.7 Ų | 65.7 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -148.2 | 159.6 | 178.8 | 69.8 | -87.6 | 0 | 0 | 0 | 112.7 | W792 L797 I806 Q824 A828 F831 | W792-F826 AromaticContact CH2-CD2 3.86Å; W792-F826 HydrophobicContact CH2-CD2 3.86Å; W792-F826 AromaticContact CH2-CE2 3.77Å; W792-F826 HydrophobicContact CH2-CE2 3.77Å; W792-F826 HydrophobicContact CH2-CG 4.34Å; W792-F826 HydrophobicContact CH2-CZ 4.15Å; W792-F826 AromaticContact CZ2-CD1 3.95Å; W792-F826 HydrophobicContact CZ2-CD1 3.95Å; W792-F826 AromaticContact CZ2-CD2 3.92Å; W792-F826 HydrophobicContact CZ2-CD2 3.92Å; W792-F826 AromaticContact CZ2-CE1 3.99Å; W792-F826 HydrophobicContact CZ2-CE1 3.99Å; W792-F826 AromaticContact CZ2-CE2 3.98Å; W792-F826 HydrophobicContact CZ2-CE2 3.98Å; W792-F826 AromaticContact CZ2-CG 3.92Å; W792-F826 HydrophobicContact CZ2-CG 3.92Å; W792-F826 HydrophobicContact CZ2-CZ 4.02Å; L797-F826 HydrophobicContact CB-CE2 4.44Å; L797-F826 HydrophobicContact CB-CZ 4.34Å; L797-F826 HydrophobicContact CG-CE2 4.5Å; I806-F826 HydrophobicContact CD1-CE2 4.25Å; I806-F826 HydrophobicContact CD1-CZ 4.2Å; Q824-F826 PolarHBondContact O-N 3.36Å; F826-A828 HydrophobicContact CE2-CB 4.39Å; F826-F831 HydrophobicContact CB-CE2 3.95Å; F826-F831 HydrophobicContact CD2-CD2 4.08Å; F826-F831 HydrophobicContact CD2-CE2 4.29Å; F826-F831 HydrophobicContact CG-CE2 4.46Å |
| 827 | S | 89.8 | Confident | 81.5 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | trans | -96.7 | 119.4 | 172.8 | 165.8 | 0 | 0 | 0 | 0 | 109.2 | E829 E830 F831 | S827-E829 PolarHBondContact O-N 2.8Å; S827-E829 VanDerWaalsContact OG-CG 3.24Å; S827-E829 WeakPolarHBondContact OG-CG 3.26Å; S827-E829 PolarHBondContact OG-OE1 3.27Å; S827-E829 PolarHBondContact OG-OE2 2.98Å; S827-E830 PolarHBondContact O-N 3.13Å; S827-F831 WeakPolarHBondContact O-CD2 3.37Å | ||
| 828 | A | 91 | Very high | 81.8 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -31.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113 | I806 F815 S817 F826 E830 F831 S832 | I806-A828 HydrophobicContact CD1-CB 3.86Å; I806-A828 HydrophobicContact CG1-CB 4.12Å; I806-A828 HydrophobicContact CG2-CB 3.62Å; F815-A828 HydrophobicContact CB-CB 4.18Å; F815-A828 CarbonylContact O-C 3.56Å; F815-A828 WeakPolarHBondContact O-CB 3.21Å; S817-A828 PolarHBondContact OG-N 3.32Å; S817-A828 VanDerWaalsContact OG-N 3.15Å; F826-A828 HydrophobicContact CE2-CB 4.39Å; A828-E830 VanDerWaalsContact C-N 3.26Å; A828-E830 PolarHBondContact O-N 3.11Å; A828-F831 PolarHBondContact O-N 2.88Å; A828-F831 VanDerWaalsContact O-N 3.16Å; A828-S832 WeakPolarHBondContact O-CB 3.41Å; A828-S832 PolarHBondContact O-N 3.29Å; A828-S832 PolarHBondContact O-OG 2.74Å |
| 829 | E | 91.9 | Very high | 82.5 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 29% | 0.285 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.8 | -27.8 | -179.7 | 55.3 | -89.5 | -156.4 | 0 | 0 | 112.1 | F815 V816 S817 S827 F831 D833 | F815-E829 WeakPolarHBondContact O-CA 3.28Å; F815-E829 PolarHBondContact O-N 2.79Å; V816-E829 WeakPolarHBondContact CA-OE2 3.25Å; V816-E829 HydrophobicContact CG2-CB 4.49Å; S817-E829 PolarHBondContact N-OE2 3.28Å; S827-E829 PolarHBondContact O-N 2.8Å; S827-E829 VanDerWaalsContact OG-CG 3.24Å; S827-E829 WeakPolarHBondContact OG-CG 3.26Å; S827-E829 PolarHBondContact OG-OE1 3.27Å; S827-E829 PolarHBondContact OG-OE2 2.98Å; E829-F831 PolarHBondContact O-N 3.08Å; E829-D833 PolarHBondContact O-N 2.94Å |
| 830 | E | 91.8 | Very high | 83.9 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -77.6 | 1.2 | 175.4 | -59.1 | -167.8 | 174.3 | 0 | 0 | 114.2 | R736 S827 A828 E836 | R736-E830 VanDerWaalsContact CD-O 3.26Å; R736-E830 WeakPolarHBondContact CD-O 3.31Å; R736-E830 WeakPolarHBondContact CG-O 3.32Å; R736-E830 IonicContact CZ-OE2 2.9Å; R736-E830 IonicContact NE-OE2 3.75Å; R736-E830 VanDerWaalsContact NH1-CD 3.27Å; R736-E830 IonicContact NH1-OE1 3.49Å; R736-E830 IonicContact NH1-OE2 2.75Å; R736-E830 PolarHBondContact NH1-OE2 2.72Å; S827-E830 PolarHBondContact O-N 3.13Å; A828-E830 VanDerWaalsContact C-N 3.26Å; A828-E830 PolarHBondContact O-N 3.11Å; E830-E836 WeakPolarHBondContact O-CG 3.25Å |
| 831 | F | 94.8 | Very high | 85.4 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 6% | 0.057 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -127.4 | -6.4 | 177.5 | -70.6 | -95 | 0 | 0 | 0 | 113.2 | I734 R736 W792 Y793 L797 F826 S827 A828 E829 M837 | I734-F831 HydrophobicContact CG2-CD1 4.46Å; I734-F831 HydrophobicContact CG2-CE1 3.8Å; I734-F831 WeakPolarHBondContact O-CE1 3.39Å; I734-F831 WeakPolarHBondContact O-CZ 3.49Å; R736-F831 HydrophobicContact CB-CE1 4.43Å; R736-F831 HydrophobicContact CG-CD1 4.34Å; R736-F831 HydrophobicContact CG-CE1 3.86Å; R736-F831 HydrophobicContact CG-CE2 4.05Å; R736-F831 HydrophobicContact CG-CZ 3.71Å; W792-F831 HydrophobicContact CH2-CB 3.81Å; W792-F831 AromaticContact CH2-CD1 3.4Å; W792-F831 HydrophobicContact CH2-CD1 3.4Å; W792-F831 AromaticContact CH2-CD2 3.83Å; W792-F831 HydrophobicContact CH2-CD2 3.83Å; W792-F831 AromaticContact CH2-CE1 3.83Å; W792-F831 HydrophobicContact CH2-CE1 3.83Å; W792-F831 HydrophobicContact CH2-CE2 4.23Å; W792-F831 AromaticContact CH2-CG 3.39Å; W792-F831 HydrophobicContact CH2-CG 3.39Å; W792-F831 HydrophobicContact CH2-CZ 4.22Å; W792-F831 HydrophobicContact CZ2-CD1 4.14Å; W792-F831 HydrophobicContact CZ2-CE1 4.1Å; W792-F831 HydrophobicContact CZ2-CE2 4.48Å; W792-F831 HydrophobicContact CZ2-CG 4.34Å; W792-F831 HydrophobicContact CZ2-CZ 4.27Å; W792-F831 HydrophobicContact CZ3-CB 3.88Å; W792-F831 AromaticContact CZ3-CD1 3.62Å; W792-F831 HydrophobicContact CZ3-CD1 3.62Å; W792-F831 HydrophobicContact CZ3-CE1 4.31Å; W792-F831 AromaticContact CZ3-CG 3.82Å; W792-F831 HydrophobicContact CZ3-CG 3.82Å; Y793-F831 HydrophobicContact CE1-CB 4.39Å; Y793-F831 WeakPolarHBondContact CE1-O 3.24Å; Y793-F831 PolarHBondContact OH-O 2.95Å; L797-F831 HydrophobicContact CD1-CB 4.31Å; F826-F831 HydrophobicContact CB-CE2 3.95Å; F826-F831 HydrophobicContact CD2-CD2 4.08Å; F826-F831 HydrophobicContact CD2-CE2 4.29Å; F826-F831 HydrophobicContact CG-CE2 4.46Å; S827-F831 WeakPolarHBondContact O-CD2 3.37Å; A828-F831 PolarHBondContact O-N 2.88Å; A828-F831 VanDerWaalsContact O-N 3.16Å; E829-F831 PolarHBondContact O-N 3.08Å; F831-M837 WeakPolarHBondContact O-CE 3.25Å |
| 832 | S | 95.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -136.9 | 1.8 | -169.9 | 66 | 0 | 0 | 0 | 0 | 115.6 | F815 A828 | F815-S832 WeakPolarHBondContact CA-OG 3.28Å; F815-S832 WeakPolarHBondContact CB-OG 3.09Å; F815-S832 PolarHBondContact N-OG 3.43Å; F815-S832 PolarHBondContact O-OG 3.26Å; A828-S832 WeakPolarHBondContact O-CB 3.41Å; A828-S832 PolarHBondContact O-N 3.29Å; A828-S832 PolarHBondContact O-OG 2.74Å |
| 833 | D | 94.6 | Very high | 89.7 | Confident | 48 Ų | 48 | 44.5 Ų | 44.5 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -65.6 | 173.8 | 170.1 | 90.5 | -19.4 | 0 | 0 | 0 | 111.6 | A814 E829 S835 E836 M837 | A814-D833 HydrophobicContact CB-CB 4.08Å; E829-D833 PolarHBondContact O-N 2.94Å; D833-S835 PolarHBondContact O-N 3.04Å; D833-S835 WeakPolarHBondContact OD1-CA 3.42Å; D833-S835 WeakPolarHBondContact OD1-CB 3.26Å; D833-S835 PolarHBondContact OD1-N 3.06Å; D833-S835 PolarHBondContact OD2-OG 2.82Å; D833-E836 PolarHBondContact O-N 2.86Å; D833-E836 VanDerWaalsContact OD1-CG 3.28Å; D833-E836 WeakPolarHBondContact OD1-CG 3.32Å; D833-E836 PolarHBondContact OD1-N 2.94Å; D833-M837 WeakPolarHBondContact O-CG 3.47Å; D833-M837 PolarHBondContact O-N 3.44Å |
| 834 | I | 94.5 | Very high | 91.6 | Very high | 55 Ų | 55 | 35.5 Ų | 35.5 | 28% | 0.282 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.1 | -38.9 | -179.8 | -53.1 | 169.7 | 0 | 0 | 0 | 111.3 | Q813 R838 | Q813-I834 HydrophobicContact CB-CD1 4.03Å; Q813-I834 HydrophobicContact CB-CG1 3.91Å; I834-R838 VanDerWaalsContact CG2-NH2 3.33Å; I834-R838 WeakPolarHBondContact O-CB 3.36Å; I834-R838 VanDerWaalsContact O-CG 3.24Å; I834-R838 WeakPolarHBondContact O-CG 3.4Å; I834-R838 PolarHBondContact O-N 2.76Å |
| 835 | S | 94.4 | Very high | 93.4 | Very high | 67 Ų | 67 | 32.9 Ų | 32.9 | 47% | 0.469 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.6 | -42.7 | -177.9 | -47.2 | 0 | 0 | 0 | 0 | 111.2 | D833 A839 | D833-S835 PolarHBondContact O-N 3.04Å; D833-S835 WeakPolarHBondContact OD1-CA 3.42Å; D833-S835 WeakPolarHBondContact OD1-CB 3.26Å; D833-S835 PolarHBondContact OD1-N 3.06Å; D833-S835 PolarHBondContact OD2-OG 2.82Å; S835-A839 WeakPolarHBondContact O-CB 3.34Å; S835-A839 PolarHBondContact O-N 3.38Å |
| 836 | E | 96.2 | Very high | 94.6 | Very high | 12 Ų | 12 | 30.6 Ų | 30.6 | 6% | 0.056 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.6 | -39.4 | 178.9 | -63.2 | -56.8 | 149.2 | 0 | 0 | 111.9 | P737 S738 E830 D833 A839 L840 | P737-E836 WeakPolarHBondContact CB-OE2 3.41Å; P737-E836 WeakPolarHBondContact CD-OE2 3.46Å; S738-E836 WeakPolarHBondContact CB-OE1 3.25Å; S738-E836 WeakPolarHBondContact CB-OE2 3.4Å; S738-E836 PolarHBondContact N-OE2 3.24Å; S738-E836 PolarHBondContact OG-OE1 3.47Å; S738-E836 PolarHBondContact OG-OE2 2.86Å; E830-E836 WeakPolarHBondContact O-CG 3.25Å; D833-E836 PolarHBondContact O-N 2.86Å; D833-E836 VanDerWaalsContact OD1-CG 3.28Å; D833-E836 WeakPolarHBondContact OD1-CG 3.32Å; D833-E836 PolarHBondContact OD1-N 2.94Å; E836-A839 PolarHBondContact O-N 3.34Å; E836-L840 VanDerWaalsContact O-CB 3.32Å; E836-L840 WeakPolarHBondContact O-CB 3.49Å; E836-L840 PolarHBondContact O-N 3.31Å |
| 837 | M | 96.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 174.9 | -70.8 | -63.6 | 110.4 | 0 | 0 | 112 | Y793 F831 D833 L840 A841 F917 M920 A921 | Y793-M837 HydrophobicContact CE1-CE 4.02Å; F831-M837 WeakPolarHBondContact O-CE 3.25Å; D833-M837 WeakPolarHBondContact O-CG 3.47Å; D833-M837 PolarHBondContact O-N 3.44Å; M837-L840 HydrophobicContact CE-CD2 4.32Å; M837-A841 WeakPolarHBondContact O-CB 3.45Å; M837-A841 PolarHBondContact O-N 3.49Å; M837-F917 HydrophobicContact CE-CE2 3.86Å; M837-F917 HydrophobicContact CE-CZ 4.14Å; M837-F917 HydrophobicContact SD-CE2 4.22Å; M837-F917 HydrophobicContact SD-CZ 4.39Å; M837-M920 HydrophobicContact CG-CB 4.23Å; M837-A921 HydrophobicContact SD-CB 4.15Å |
| 838 | R | 97.1 | Very high | 95.4 | Very high | 95 Ų | 95 | 35 Ų | 35 | 36% | 0.358 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 171.4 | -71.1 | 172.3 | -171.5 | 165.3 | 3.1 | 111.3 | I834 L840 A841 E842 E927 V928 | I834-R838 VanDerWaalsContact CG2-NH2 3.33Å; I834-R838 WeakPolarHBondContact O-CB 3.36Å; I834-R838 VanDerWaalsContact O-CG 3.24Å; I834-R838 WeakPolarHBondContact O-CG 3.4Å; I834-R838 PolarHBondContact O-N 2.76Å; R838-L840 VanDerWaalsContact C-N 3.32Å; R838-L840 PolarHBondContact O-N 3.44Å; R838-A841 PolarHBondContact O-N 2.77Å; R838-E842 WeakPolarHBondContact O-CG 3.36Å; R838-E842 PolarHBondContact O-N 3.13Å; R838-E927 IonicContact CZ-OE1 3.84Å; R838-E927 IonicContact CZ-OE2 2.73Å; R838-E927 IonicContact NE-OE1 2.69Å; R838-E927 PolarHBondContact NE-OE1 3.46Å; R838-E927 IonicContact NE-OE2 3.4Å; R838-E927 PolarHBondContact NE-OE2 3.43Å; R838-E927 IonicContact NH1-OE2 3.75Å; R838-E927 IonicContact NH2-OE1 2.88Å; R838-E927 PolarHBondContact NH2-OE1 3.36Å; R838-E927 IonicContact NH2-OE2 3.87Å; R838-E927 PolarHBondContact NH2-OE2 2.65Å; R838-V928 HydrophobicContact CB-CG2 4.16Å; R838-V928 WeakPolarHBondContact O-CG2 3.27Å |
| 839 | A | 97.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 35 Ų | 35 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.4 | -37.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P737 L741 S835 E836 E842 L843 | P737-A839 HydrophobicContact CB-CB 3.98Å; L741-A839 HydrophobicContact CB-CB 4.36Å; L741-A839 HydrophobicContact CD2-CB 3.87Å; S835-A839 WeakPolarHBondContact O-CB 3.34Å; S835-A839 PolarHBondContact O-N 3.38Å; E836-A839 PolarHBondContact O-N 3.34Å; A839-E842 PolarHBondContact O-N 2.92Å; A839-L843 WeakPolarHBondContact O-CG 3.29Å; A839-L843 PolarHBondContact O-N 3.1Å |
| 840 | L | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 172.6 | -175.3 | 70.4 | 0 | 0 | 0 | 111 | P737 Y789 Y793 E836 M837 R838 E842 L843 L844 M849 L852 | P737-L840 HydrophobicContact CB-CB 4.13Å; P737-L840 HydrophobicContact CG-CB 4.27Å; P737-L840 HydrophobicContact CG-CD1 4.32Å; Y789-L840 HydrophobicContact CD1-CD1 4.14Å; Y789-L840 HydrophobicContact CD2-CD1 4.26Å; Y789-L840 HydrophobicContact CG-CD1 3.87Å; Y793-L840 HydrophobicContact CD2-CD2 4.26Å; Y793-L840 HydrophobicContact CE2-CD1 3.92Å; Y793-L840 HydrophobicContact CE2-CD2 3.46Å; Y793-L840 VanDerWaalsContact CE2-CD2 3.46Å; Y793-L840 HydrophobicContact CE2-CG 4.33Å; E836-L840 VanDerWaalsContact O-CB 3.32Å; E836-L840 WeakPolarHBondContact O-CB 3.49Å; E836-L840 PolarHBondContact O-N 3.31Å; M837-L840 HydrophobicContact CE-CD2 4.32Å; R838-L840 VanDerWaalsContact C-N 3.32Å; R838-L840 PolarHBondContact O-N 3.44Å; L840-E842 PolarHBondContact O-N 3.34Å; L840-L843 PolarHBondContact O-N 3.38Å; L840-L844 HydrophobicContact CD1-CD1 3.78Å; L840-L844 HydrophobicContact CD1-CD2 4.07Å; L840-L844 HydrophobicContact CG-CD1 4.43Å; L840-L844 HydrophobicContact CG-CD2 4.26Å; L840-L844 WeakPolarHBondContact O-CB 3.35Å; L840-L844 PolarHBondContact O-N 2.95Å; L840-M849 HydrophobicContact CD2-SD 4.27Å; L840-M849 HydrophobicContact CG-SD 4.21Å; L840-L852 HydrophobicContact CD2-CD2 4.09Å |
| 841 | A | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.3 | -36.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M837 R838 L843 G845 M849 L925 V928 | M837-A841 WeakPolarHBondContact O-CB 3.45Å; M837-A841 PolarHBondContact O-N 3.49Å; R838-A841 PolarHBondContact O-N 2.77Å; A841-L843 VanDerWaalsContact C-N 3.32Å; A841-L843 PolarHBondContact O-N 2.87Å; A841-G845 VanDerWaalsContact O-CA 3.25Å; A841-G845 WeakPolarHBondContact O-CA 3.32Å; A841-G845 PolarHBondContact O-N 3.3Å; A841-M849 HydrophobicContact CB-CE 4.29Å; A841-M849 HydrophobicContact CB-CG 4.42Å; A841-M849 HydrophobicContact CB-SD 4.46Å; A841-L925 HydrophobicContact CB-CB 4.16Å; A841-L925 HydrophobicContact CB-CD1 4.32Å; A841-V928 HydrophobicContact CB-CB 4.36Å; A841-V928 HydrophobicContact CB-CG2 4.08Å |
| 842 | E | 96.8 | Very high | 96.1 | Very high | 61 Ų | 61 | 33.3 Ų | 33.3 | 29% | 0.285 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 171.7 | -74.5 | -76.2 | -173.5 | 0 | 0 | 112.4 | L741 R838 A839 L840 V928 H932 | L741-E842 HydrophobicContact CD1-CB 3.98Å; L741-E842 HydrophobicContact CD2-CB 3.81Å; L741-E842 HydrophobicContact CD2-CG 4.03Å; R838-E842 WeakPolarHBondContact O-CG 3.36Å; R838-E842 PolarHBondContact O-N 3.13Å; A839-E842 PolarHBondContact O-N 2.92Å; L840-E842 PolarHBondContact O-N 3.34Å; E842-V928 VanDerWaalsContact CD-CG1 3.47Å; E842-V928 HydrophobicContact CG-CG1 3.9Å; E842-V928 HydrophobicContact CG-CG2 3.76Å; E842-H932 IonicContact OE1-CD2 2.78Å; E842-H932 IonicContact OE1-NE2 2.81Å; E842-H932 PolarHBondContact OE1-NE2 3.35Å; E842-H932 VanDerWaalsContact OE1-NE2 3.1Å; E842-H932 IonicContact OE2-CD2 3.99Å; E842-H932 IonicContact OE2-CE1 2.59Å; E842-H932 IonicContact OE2-NE2 3.76Å; E842-H932 PolarHBondContact OE2-NE2 3.05Å |
| 843 | L | 96.8 | Very high | 96.1 | Very high | 17 Ų | 17 | 33.5 Ų | 33.5 | 9% | 0.089 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -77 | -46.4 | -178.4 | -72.6 | 167.5 | 0 | 0 | 0 | 112.8 | L740 L741 V744 I785 A839 L840 A841 | L740-L843 HydrophobicContact CB-CD1 4.16Å; L740-L843 HydrophobicContact CD2-CD1 3.79Å; L740-L843 HydrophobicContact CG-CD1 3.92Å; L740-L843 HydrophobicContact CG-CD2 4.37Å; L741-L843 HydrophobicContact CB-CD1 4.22Å; L741-L843 HydrophobicContact CB-CD2 4.33Å; L741-L843 HydrophobicContact CB-CG 4.21Å; L741-L843 HydrophobicContact CD1-CD2 3.93Å; L741-L843 HydrophobicContact CD1-CG 4.09Å; V744-L843 HydrophobicContact CB-CD2 4.36Å; V744-L843 HydrophobicContact CG2-CD2 4.14Å; I785-L843 HydrophobicContact CD1-CB 4.21Å; I785-L843 HydrophobicContact CD1-CD2 4.41Å; A839-L843 WeakPolarHBondContact O-CG 3.29Å; A839-L843 PolarHBondContact O-N 3.1Å; L840-L843 PolarHBondContact O-N 3.38Å; A841-L843 VanDerWaalsContact C-N 3.32Å; A841-L843 PolarHBondContact O-N 2.87Å |
| 844 | L | 96.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -85.6 | -27.4 | -174.2 | -89.3 | 60.7 | 0 | 0 | 0 | 112.5 | T774 I785 T786 L840 G848 M849 | T774-L844 VanDerWaalsContact CB-O 3.3Å; T774-L844 WeakPolarHBondContact CB-O 3.24Å; T774-L844 VanDerWaalsContact CG2-O 3.28Å; T774-L844 WeakPolarHBondContact CG2-O 3.45Å; I785-L844 HydrophobicContact CG1-CD1 4.47Å; T786-L844 HydrophobicContact CG2-CD2 4.47Å; T786-L844 HydrophobicContact CG2-CG 4.5Å; L840-L844 HydrophobicContact CD1-CD1 3.78Å; L840-L844 HydrophobicContact CD1-CD2 4.07Å; L840-L844 HydrophobicContact CG-CD1 4.43Å; L840-L844 HydrophobicContact CG-CD2 4.26Å; L840-L844 WeakPolarHBondContact O-CB 3.35Å; L840-L844 PolarHBondContact O-N 2.95Å; L844-G848 WeakPolarHBondContact O-CA 3.38Å; L844-G848 PolarHBondContact O-N 3.42Å; L844-M849 HydrophobicContact CB-CG 4.13Å; L844-M849 HydrophobicContact CB-SD 4.19Å; L844-M849 HydrophobicContact CD2-SD 4.13Å |
| 845 | G | 95.5 | Very high | 96.1 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | 57.6 | -170 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A841 Y847 G848 M849 | A841-G845 VanDerWaalsContact O-CA 3.25Å; A841-G845 WeakPolarHBondContact O-CA 3.32Å; A841-G845 PolarHBondContact O-N 3.3Å; G845-Y847 VanDerWaalsContact C-N 3.28Å; G845-Y847 PolarHBondContact O-N 3.11Å; G845-G848 PolarHBondContact O-N 3.32Å; G845-M849 VanDerWaalsContact O-CB 3.31Å; G845-M849 WeakPolarHBondContact O-CB 3.39Å; G845-M849 WeakPolarHBondContact O-CG 3.48Å; G845-M849 PolarHBondContact O-N 2.83Å |
| 846 | P | 95.3 | Very high | 96.2 | Very high | 46 Ų | 46 | 32.3 Ų | 32.3 | 30% | 0.299 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -57.8 | -36.9 | 179.5 | -27.3 | 35.8 | 0 | 0 | 0 | 113.9 | K850 L925 F929 | P846-K850 VanDerWaalsContact O-CB 3.26Å; P846-K850 WeakPolarHBondContact O-CB 3.37Å; P846-K850 PolarHBondContact O-N 3.49Å; P846-L925 HydrophobicContact CG-CD1 4.45Å; P846-F929 HydrophobicContact CG-CD2 3.92Å; P846-F929 HydrophobicContact CG-CE2 3.88Å |
| 847 | Y | 96.2 | Very high | 96.1 | Very high | 148 Ų | 148 | 31.9 Ų | 31.9 | 58% | 0.58 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -67.2 | -52.8 | -179 | -63.9 | -60.6 | 0 | 0 | 0 | 112.3 | L771 G845 M849 K850 F851 | L771-Y847 HydrophobicContact CD1-CD2 4.27Å; L771-Y847 HydrophobicContact CD1-CE2 4.12Å; G845-Y847 VanDerWaalsContact C-N 3.28Å; G845-Y847 PolarHBondContact O-N 3.11Å; Y847-M849 VanDerWaalsContact C-N 3.33Å; Y847-M849 PolarHBondContact O-N 2.95Å; Y847-K850 PolarHBondContact O-N 3.06Å; Y847-F851 PolarHBondContact O-N 3Å |
| 848 | G | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.1 | -34.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | T774 L844 G845 F851 L852 | T774-G848 WeakPolarHBondContact O-CA 3.47Å; T774-G848 PolarHBondContact O-N 2.98Å; L844-G848 WeakPolarHBondContact O-CA 3.38Å; L844-G848 PolarHBondContact O-N 3.42Å; G845-G848 PolarHBondContact O-N 3.32Å; G848-F851 PolarHBondContact O-N 2.88Å; G848-L852 WeakPolarHBondContact O-CB 3.39Å; G848-L852 PolarHBondContact O-N 3.44Å |
| 849 | M | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.7 | -33.4 | 175.5 | -65.2 | -61.2 | -76.6 | 0 | 0 | 112.6 | L840 A841 L844 G845 Y847 L852 S853 A921 L925 | L840-M849 HydrophobicContact CD2-SD 4.27Å; L840-M849 HydrophobicContact CG-SD 4.21Å; A841-M849 HydrophobicContact CB-CE 4.29Å; A841-M849 HydrophobicContact CB-CG 4.42Å; A841-M849 HydrophobicContact CB-SD 4.46Å; L844-M849 HydrophobicContact CB-CG 4.13Å; L844-M849 HydrophobicContact CB-SD 4.19Å; L844-M849 HydrophobicContact CD2-SD 4.13Å; G845-M849 VanDerWaalsContact O-CB 3.31Å; G845-M849 WeakPolarHBondContact O-CB 3.39Å; G845-M849 WeakPolarHBondContact O-CG 3.48Å; G845-M849 PolarHBondContact O-N 2.83Å; Y847-M849 VanDerWaalsContact C-N 3.33Å; Y847-M849 PolarHBondContact O-N 2.95Å; M849-L852 HydrophobicContact CE-CD2 4.48Å; M849-L852 HydrophobicContact SD-CD2 4.2Å; M849-S853 VanDerWaalsContact O-CB 3.26Å; M849-S853 WeakPolarHBondContact O-CB 3.38Å; M849-S853 PolarHBondContact O-N 2.97Å; M849-S853 PolarHBondContact O-OG 3.32Å; M849-A921 HydrophobicContact CE-CB 3.64Å; M849-A921 WeakPolarHBondContact CE-O 3.19Å; M849-L925 HydrophobicContact CB-CD2 3.93Å; M849-L925 HydrophobicContact CE-CB 4.45Å; M849-L925 HydrophobicContact CG-CD1 4.29Å; M849-L925 HydrophobicContact CG-CD2 4.4Å |
| 850 | K | 95.1 | Very high | 95.6 | Very high | 83 Ų | 83 | 37.4 Ų | 37.4 | 36% | 0.361 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64 | -45.5 | 169.2 | -177.2 | 175 | -176.1 | 167 | 0 | 110.8 | P846 Y847 S853 E854 E961 | P846-K850 VanDerWaalsContact O-CB 3.26Å; P846-K850 WeakPolarHBondContact O-CB 3.37Å; P846-K850 PolarHBondContact O-N 3.49Å; Y847-K850 PolarHBondContact O-N 3.06Å; K850-S853 WeakPolarHBondContact O-CA 3.01Å; K850-S853 VanDerWaalsContact O-CB 3.26Å; K850-S853 WeakPolarHBondContact O-CB 3.34Å; K850-S853 PolarHBondContact O-N 2.93Å; K850-S853 VanDerWaalsContact O-N 3.16Å; K850-E854 WeakPolarHBondContact CE-OE1 3.4Å; K850-E854 HydrophobicContact CG-CG 4.5Å; K850-E854 WeakPolarHBondContact O-CG 3.35Å; K850-E854 PolarHBondContact O-N 2.74Å; K850-E961 IonicContact NZ-OE1 3.52Å; K850-E961 PolarHBondContact NZ-OE1 3.43Å |
| 851 | F | 96.3 | Very high | 95.4 | Very high | 45 Ų | 45 | 37.8 Ų | 37.8 | 20% | 0.197 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 176.9 | 179.2 | -101.9 | 0 | 0 | 0 | 112.5 | P776 T786 T790 Y847 G848 S853 E854 N855 | P776-F851 HydrophobicContact CB-CD2 4.44Å; P776-F851 HydrophobicContact CB-CE1 4.38Å; P776-F851 HydrophobicContact CB-CE2 3.98Å; P776-F851 HydrophobicContact CB-CZ 3.93Å; P776-F851 HydrophobicContact CG-CD1 4.44Å; P776-F851 HydrophobicContact CG-CD2 3.57Å; P776-F851 HydrophobicContact CG-CE1 4.41Å; P776-F851 HydrophobicContact CG-CE2 3.52Å; P776-F851 HydrophobicContact CG-CG 4.03Å; P776-F851 HydrophobicContact CG-CZ 3.96Å; T786-F851 HydrophobicContact CG2-CB 4.21Å; T786-F851 HydrophobicContact CG2-CD1 3.65Å; T786-F851 HydrophobicContact CG2-CE1 4.43Å; T786-F851 HydrophobicContact CG2-CG 4.23Å; T790-F851 HydrophobicContact CG2-CD1 4.21Å; T790-F851 HydrophobicContact CG2-CE1 3.99Å; Y847-F851 PolarHBondContact O-N 3Å; G848-F851 PolarHBondContact O-N 2.88Å; F851-S853 PolarHBondContact O-N 3.33Å; F851-E854 PolarHBondContact O-N 3.41Å; F851-N855 WeakPolarHBondContact CE1-ND2 3.43Å; F851-N855 WeakPolarHBondContact CE2-ND2 3.43Å; F851-N855 VanDerWaalsContact CZ-ND2 3.25Å; F851-N855 WeakPolarHBondContact CZ-ND2 3.49Å; F851-N855 PolarHBondContact O-N 3.06Å; F851-N855 VanDerWaalsContact O-N 3.11Å; F851-N855 PolarHBondContact O-ND2 2.87Å |
| 852 | L | 96.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53.7 | -47.1 | 172.9 | 172.4 | 59.2 | 0 | 0 | 0 | 110.5 | T790 L840 G848 M849 N855 L856 F917 | T790-L852 HydrophobicContact CG2-CD1 3.95Å; L840-L852 HydrophobicContact CD2-CD2 4.09Å; G848-L852 WeakPolarHBondContact O-CB 3.39Å; G848-L852 PolarHBondContact O-N 3.44Å; M849-L852 HydrophobicContact CE-CD2 4.48Å; M849-L852 HydrophobicContact SD-CD2 4.2Å; L852-N855 PolarHBondContact O-N 3.38Å; L852-L856 HydrophobicContact CD1-CD1 4.17Å; L852-L856 HydrophobicContact CD1-CG 4.29Å; L852-L856 HydrophobicContact CG-CD1 4.02Å; L852-L856 VanDerWaalsContact O-CG 3.24Å; L852-L856 WeakPolarHBondContact O-CG 3.39Å; L852-L856 PolarHBondContact O-N 3.47Å; L852-F917 HydrophobicContact CD1-CE1 4.45Å; L852-F917 HydrophobicContact CD2-CE1 4.29Å |
| 853 | S | 95.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 179.2 | -66.6 | 0 | 0 | 0 | 0 | 113.7 | M849 K850 F851 N855 L856 M857 R918 Q922 | M849-S853 VanDerWaalsContact O-CB 3.26Å; M849-S853 WeakPolarHBondContact O-CB 3.38Å; M849-S853 PolarHBondContact O-N 2.97Å; M849-S853 PolarHBondContact O-OG 3.32Å; K850-S853 WeakPolarHBondContact O-CA 3.01Å; K850-S853 VanDerWaalsContact O-CB 3.26Å; K850-S853 WeakPolarHBondContact O-CB 3.34Å; K850-S853 PolarHBondContact O-N 2.93Å; K850-S853 VanDerWaalsContact O-N 3.16Å; F851-S853 PolarHBondContact O-N 3.33Å; S853-N855 VanDerWaalsContact C-N 3.33Å; S853-N855 PolarHBondContact O-N 3.36Å; S853-L856 WeakPolarHBondContact O-CB 3.37Å; S853-L856 PolarHBondContact O-N 2.8Å; S853-M857 VanDerWaalsContact O-CG 3.32Å; S853-M857 WeakPolarHBondContact O-CG 3.47Å; S853-M857 PolarHBondContact O-N 3.49Å; S853-R918 PolarHBondContact OG-NH1 3.1Å; S853-Q922 PolarHBondContact OG-NE2 3.04Å |
| 854 | E | 93.6 | Very high | 94.9 | Very high | 100 Ų | 100 | 38 Ų | 38 | 47% | 0.467 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.6 | -41.2 | 177.8 | -73.5 | 171.8 | 177.9 | 0 | 0 | 111.7 | K850 F851 M857 W858 | K850-E854 WeakPolarHBondContact CE-OE1 3.4Å; K850-E854 HydrophobicContact CG-CG 4.5Å; K850-E854 WeakPolarHBondContact O-CG 3.35Å; K850-E854 PolarHBondContact O-N 2.74Å; F851-E854 PolarHBondContact O-N 3.41Å; E854-M857 PolarHBondContact O-N 3.29Å; E854-W858 PolarHBondContact O-N 2.97Å |
| 855 | N | 95.4 | Very high | 94.7 | Very high | 45 Ų | 45 | 40.5 Ų | 40.5 | 24% | 0.241 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.8 | -40.3 | 175.3 | -74.3 | -87.3 | 0 | 0 | 0 | 111.8 | T790 L794 F851 L852 S853 M857 W858 H859 | T790-N855 HydrophobicContact CG2-CB 3.84Å; L794-N855 HydrophobicContact CD1-CB 3.79Å; F851-N855 WeakPolarHBondContact CE1-ND2 3.43Å; F851-N855 WeakPolarHBondContact CE2-ND2 3.43Å; F851-N855 VanDerWaalsContact CZ-ND2 3.25Å; F851-N855 WeakPolarHBondContact CZ-ND2 3.49Å; F851-N855 PolarHBondContact O-N 3.06Å; F851-N855 VanDerWaalsContact O-N 3.11Å; F851-N855 PolarHBondContact O-ND2 2.87Å; L852-N855 PolarHBondContact O-N 3.38Å; S853-N855 VanDerWaalsContact C-N 3.33Å; S853-N855 PolarHBondContact O-N 3.36Å; N855-M857 VanDerWaalsContact C-N 3.31Å; N855-M857 PolarHBondContact O-N 3.42Å; N855-W858 WeakPolarHBondContact O-CB 3.49Å; N855-W858 PolarHBondContact O-N 2.71Å; N855-H859 PolarHBondContact O-CD2 3.26Å; N855-H859 VanDerWaalsContact O-CD2 3.26Å; N855-H859 PolarHBondContact O-N 2.87Å |
| 856 | L | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.8 | -44 | 171.9 | -67.5 | 166.3 | 0 | 0 | 0 | 111.1 | L794 L798 L852 S853 W858 H859 V860 I914 F917 R918 | L794-L856 HydrophobicContact CD2-CD2 3.53Å; L794-L856 HydrophobicContact CD2-CG 4.34Å; L798-L856 HydrophobicContact CD1-CD2 3.35Å; L852-L856 HydrophobicContact CD1-CD1 4.17Å; L852-L856 HydrophobicContact CD1-CG 4.29Å; L852-L856 HydrophobicContact CG-CD1 4.02Å; L852-L856 VanDerWaalsContact O-CG 3.24Å; L852-L856 WeakPolarHBondContact O-CG 3.39Å; L852-L856 PolarHBondContact O-N 3.47Å; S853-L856 WeakPolarHBondContact O-CB 3.37Å; S853-L856 PolarHBondContact O-N 2.8Å; L856-W858 VanDerWaalsContact C-N 3.31Å; L856-W858 PolarHBondContact O-N 2.7Å; L856-H859 PolarHBondContact O-N 2.6Å; L856-V860 WeakPolarHBondContact O-CG2 3.44Å; L856-V860 PolarHBondContact O-N 3.14Å; L856-I914 HydrophobicContact CB-CG2 3.8Å; L856-I914 HydrophobicContact CD2-CG2 3.79Å; L856-I914 HydrophobicContact CG-CG2 4.35Å; L856-F917 HydrophobicContact CD1-CD1 3.85Å; L856-F917 HydrophobicContact CD1-CE1 4.12Å; L856-F917 HydrophobicContact CD2-CD1 4.01Å; L856-F917 HydrophobicContact CD2-CE1 4.41Å; L856-R918 HydrophobicContact CD1-CB 4.16Å |
| 857 | M | 94.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.7 | -35.5 | 177.4 | -67.4 | -51.9 | 87.5 | 0 | 0 | 112.3 | S853 E854 N855 H859 V860 T861 L915 A975 L976 A979 | S853-M857 VanDerWaalsContact O-CG 3.32Å; S853-M857 WeakPolarHBondContact O-CG 3.47Å; S853-M857 PolarHBondContact O-N 3.49Å; E854-M857 PolarHBondContact O-N 3.29Å; N855-M857 VanDerWaalsContact C-N 3.31Å; N855-M857 PolarHBondContact O-N 3.42Å; M857-H859 VanDerWaalsContact C-N 3.34Å; M857-H859 PolarHBondContact O-N 3.14Å; M857-V860 HydrophobicContact CE-CG2 4.13Å; M857-V860 PolarHBondContact O-N 2.83Å; M857-T861 WeakPolarHBondContact O-CB 3.27Å; M857-T861 PolarHBondContact O-N 2.91Å; M857-T861 PolarHBondContact O-OG1 3.26Å; M857-L915 HydrophobicContact CE-CD2 3.85Å; M857-L915 HydrophobicContact SD-CD2 4.5Å; M857-A975 HydrophobicContact CG-CB 3.97Å; M857-L976 HydrophobicContact SD-CB 3.74Å; M857-L976 HydrophobicContact SD-CD1 3.85Å; M857-L976 HydrophobicContact SD-CG 4.34Å; M857-A979 HydrophobicContact CB-CB 3.78Å |
| 858 | W | 93 | Very high | 94.4 | Very high | 166 Ų | 166 | 35.3 Ų | 35.3 | 63% | 0.629 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -58.8 | -44.4 | 174.4 | -174.9 | 91.7 | 0 | 0 | 0 | 112 | E854 N855 L856 T861 S862 | E854-W858 PolarHBondContact O-N 2.97Å; N855-W858 WeakPolarHBondContact O-CB 3.49Å; N855-W858 PolarHBondContact O-N 2.71Å; L856-W858 VanDerWaalsContact C-N 3.31Å; L856-W858 PolarHBondContact O-N 2.7Å; W858-T861 WeakPolarHBondContact O-CB 3.29Å; W858-T861 PolarHBondContact O-N 3.47Å; W858-S862 PolarHBondContact O-N 3.37Å |
| 859 | H | 92.2 | Very high | 94.2 | Very high | 52 Ų | 52 | 40.4 Ų | 40.4 | 24% | 0.241 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.8 | -39.6 | 175.5 | -74.2 | -81.9 | 0 | 0 | 0 | 112.8 | L794 N855 L856 M857 S862 Q863 I914 | L794-H859 VanDerWaalsContact CD2-CD2 3.47Å; L794-H859 WeakPolarHBondContact CD2-CD2 3.45Å; N855-H859 PolarHBondContact O-CD2 3.26Å; N855-H859 VanDerWaalsContact O-CD2 3.26Å; N855-H859 PolarHBondContact O-N 2.87Å; L856-H859 PolarHBondContact O-N 2.6Å; M857-H859 VanDerWaalsContact C-N 3.34Å; M857-H859 PolarHBondContact O-N 3.14Å; H859-S862 WeakPolarHBondContact O-CB 3.19Å; H859-S862 PolarHBondContact O-N 2.84Å; H859-Q863 PolarHBondContact O-N 2.74Å; H859-Q863 VanDerWaalsContact O-N 3.16Å; H859-I914 HydrophobicContact CB-CD1 3.98Å |
| 860 | V | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 174.1 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | L856 M857 S862 Q863 I864 I911 I914 L976 | L856-V860 WeakPolarHBondContact O-CG2 3.44Å; L856-V860 PolarHBondContact O-N 3.14Å; M857-V860 HydrophobicContact CE-CG2 4.13Å; M857-V860 PolarHBondContact O-N 2.83Å; V860-S862 VanDerWaalsContact C-N 3.31Å; V860-S862 PolarHBondContact O-N 2.88Å; V860-Q863 WeakPolarHBondContact O-CB 3.45Å; V860-Q863 PolarHBondContact O-N 2.93Å; V860-I864 HydrophobicContact CG1-CD1 3.84Å; V860-I864 HydrophobicContact CG1-CG1 4.37Å; V860-I864 WeakPolarHBondContact O-CG1 3.41Å; V860-I864 PolarHBondContact O-N 2.68Å; V860-I911 HydrophobicContact CG1-CG1 4.22Å; V860-I911 HydrophobicContact CG1-CG2 3.78Å; V860-I911 HydrophobicContact CG2-CG2 4.33Å; V860-I914 HydrophobicContact CG2-CB 3.98Å; V860-I914 HydrophobicContact CG2-CD1 4.26Å; V860-I914 HydrophobicContact CG2-CG2 3.62Å; V860-L976 HydrophobicContact CB-CD1 4.46Å; V860-L976 HydrophobicContact CG1-CD1 3.62Å |
| 861 | T | 93.3 | Very high | 94.1 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 6% | 0.055 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.2 | -44.5 | 176.2 | -85.5 | 0 | 0 | 0 | 0 | 111.9 | M857 W858 Q863 I864 V865 L983 | M857-T861 WeakPolarHBondContact O-CB 3.27Å; M857-T861 PolarHBondContact O-N 2.91Å; M857-T861 PolarHBondContact O-OG1 3.26Å; W858-T861 WeakPolarHBondContact O-CB 3.29Å; W858-T861 PolarHBondContact O-N 3.47Å; T861-Q863 VanDerWaalsContact C-N 3.31Å; T861-Q863 PolarHBondContact O-N 2.93Å; T861-I864 PolarHBondContact O-N 2.92Å; T861-I864 VanDerWaalsContact O-N 3.13Å; T861-V865 WeakPolarHBondContact O-CG2 3.43Å; T861-V865 PolarHBondContact O-N 3.43Å; T861-L983 HydrophobicContact CG2-CD1 3.25Å; T861-L983 HydrophobicContact CG2-CD2 3.33Å; T861-L983 HydrophobicContact CG2-CG 3.38Å |
| 862 | S | 93.1 | Very high | 93.9 | Very high | 49 Ų | 49 | 39.1 Ų | 39.1 | 34% | 0.343 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.8 | -42.2 | 174.6 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | W858 H859 V860 V865 E866 | W858-S862 PolarHBondContact O-N 3.37Å; H859-S862 WeakPolarHBondContact O-CB 3.19Å; H859-S862 PolarHBondContact O-N 2.84Å; V860-S862 VanDerWaalsContact C-N 3.31Å; V860-S862 PolarHBondContact O-N 2.88Å; S862-V865 PolarHBondContact O-N 3.05Å; S862-E866 PolarHBondContact O-N 3.11Å |
| 863 | Q | 94.4 | Very high | 93.8 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 16% | 0.159 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.9 | -36.4 | 175.3 | -62 | -53.5 | -42.5 | 0 | 0 | 112.7 | H859 V860 T861 E866 L867 I910 I911 | H859-Q863 PolarHBondContact O-N 2.74Å; H859-Q863 VanDerWaalsContact O-N 3.16Å; V860-Q863 WeakPolarHBondContact O-CB 3.45Å; V860-Q863 PolarHBondContact O-N 2.93Å; T861-Q863 VanDerWaalsContact C-N 3.31Å; T861-Q863 PolarHBondContact O-N 2.93Å; Q863-E866 PolarHBondContact O-N 3.09Å; Q863-L867 WeakPolarHBondContact O-CG 3.44Å; Q863-L867 PolarHBondContact O-N 3.17Å; Q863-I910 HydrophobicContact CG-CG2 4.11Å; Q863-I911 HydrophobicContact CB-CD1 3.66Å; Q863-I911 HydrophobicContact CB-CG1 3.57Å; Q863-I911 HydrophobicContact CG-CG1 4.16Å |
| 864 | I | 93.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.8 | -40.9 | 176.7 | -67.7 | 171 | 0 | 0 | 0 | 111.1 | V860 T861 E866 L867 K868 I911 L976 I980 V1040 | V860-I864 HydrophobicContact CG1-CD1 3.84Å; V860-I864 HydrophobicContact CG1-CG1 4.37Å; V860-I864 WeakPolarHBondContact O-CG1 3.41Å; V860-I864 PolarHBondContact O-N 2.68Å; T861-I864 PolarHBondContact O-N 2.92Å; T861-I864 VanDerWaalsContact O-N 3.13Å; I864-E866 VanDerWaalsContact C-N 3.29Å; I864-E866 PolarHBondContact O-N 3.39Å; I864-L867 WeakPolarHBondContact O-CB 3.45Å; I864-L867 PolarHBondContact O-N 2.98Å; I864-K868 HydrophobicContact CG2-CG 4.45Å; I864-K868 WeakPolarHBondContact O-CG 3.47Å; I864-K868 PolarHBondContact O-N 3.38Å; I864-I911 HydrophobicContact CG1-CD1 3.85Å; I864-L976 HydrophobicContact CD1-CD1 4.42Å; I864-I980 HydrophobicContact CD1-CD1 3.68Å; I864-I980 HydrophobicContact CD1-CG1 3.95Å; I864-V1040 HydrophobicContact CD1-CG1 4.17Å; I864-V1040 HydrophobicContact CD1-CG2 4.32Å; I864-V1040 HydrophobicContact CG1-CG1 4.48Å |
| 865 | V | 92.6 | Very high | 93.7 | Very high | 52 Ų | 52 | 43.6 Ų | 43.6 | 32% | 0.315 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.1 | -44.4 | 175.8 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | T861 S862 K868 K869 L983 | T861-V865 WeakPolarHBondContact O-CG2 3.43Å; T861-V865 PolarHBondContact O-N 3.43Å; S862-V865 PolarHBondContact O-N 3.05Å; V865-K868 PolarHBondContact O-N 3.32Å; V865-K869 PolarHBondContact O-N 3.49Å; V865-L983 HydrophobicContact CG2-CD1 3.99Å; V865-L983 HydrophobicContact CG2-CD2 3.93Å |
| 866 | E | 93.8 | Very high | 93.5 | Very high | 56 Ų | 56 | 47 Ų | 47 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.8 | -36 | 177.6 | -65.9 | -66.1 | 117.3 | 0 | 0 | 112.5 | S862 Q863 I864 K869 L870 R907 | S862-E866 PolarHBondContact O-N 3.11Å; Q863-E866 PolarHBondContact O-N 3.09Å; I864-E866 VanDerWaalsContact C-N 3.29Å; I864-E866 PolarHBondContact O-N 3.39Å; E866-K869 WeakPolarHBondContact O-CB 3.48Å; E866-K869 PolarHBondContact O-N 2.75Å; E866-K869 IonicContact OE1-NZ 3.57Å; E866-K869 PolarHBondContact OE1-NZ 3.48Å; E866-L870 PolarHBondContact O-N 3.3Å; E866-R907 IonicContact OE2-CZ 3.43Å; E866-R907 IonicContact OE2-NH2 3.03Å; E866-R907 PolarHBondContact OE2-NH2 3.22Å |
| 867 | L | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 172.9 | -74.7 | 168.7 | 0 | 0 | 0 | 112.1 | Q863 I864 K869 L870 V871 V904 R907 M908 I911 L1000 | Q863-L867 WeakPolarHBondContact O-CG 3.44Å; Q863-L867 PolarHBondContact O-N 3.17Å; I864-L867 WeakPolarHBondContact O-CB 3.45Å; I864-L867 PolarHBondContact O-N 2.98Å; L867-K869 VanDerWaalsContact C-N 3.28Å; L867-K869 PolarHBondContact O-N 3.37Å; L867-L870 PolarHBondContact O-N 3.47Å; L867-V871 WeakPolarHBondContact O-CG2 3.45Å; L867-V871 PolarHBondContact O-N 3.21Å; L867-V904 HydrophobicContact CD2-CB 4.26Å; L867-V904 HydrophobicContact CD2-CG1 4.05Å; L867-V904 HydrophobicContact CD2-CG2 4.37Å; L867-R907 HydrophobicContact CD1-CB 4.4Å; L867-R907 HydrophobicContact CD2-CB 3.86Å; L867-R907 HydrophobicContact CG-CB 4.02Å; L867-M908 HydrophobicContact CD1-CG 3.72Å; L867-M908 HydrophobicContact CD1-SD 3.46Å; L867-M908 WeakPolarHBondContact CD1-SD 3.41Å; L867-M908 HydrophobicContact CD2-CG 4.36Å; L867-I911 HydrophobicContact CD1-CD1 3.61Å; L867-L1000 HydrophobicContact CB-CD1 4.11Å; L867-L1000 HydrophobicContact CD2-CD1 4.33Å |
| 868 | K | 91.9 | Very high | 93.2 | Very high | 44 Ų | 44 | 48.4 Ų | 48.4 | 19% | 0.191 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 175.6 | -73.5 | -176.2 | 175.7 | -172.8 | 0 | 111.3 | I864 V865 V871 V872 V996 | I864-K868 HydrophobicContact CG2-CG 4.45Å; I864-K868 WeakPolarHBondContact O-CG 3.47Å; I864-K868 PolarHBondContact O-N 3.38Å; V865-K868 PolarHBondContact O-N 3.32Å; K868-V871 PolarHBondContact O-N 3.49Å; K868-V872 WeakPolarHBondContact O-CG2 3.35Å; K868-V872 PolarHBondContact O-N 2.92Å; K868-V996 HydrophobicContact CB-CG1 4.12Å; K868-V996 HydrophobicContact CG-CG1 3.89Å |
| 869 | K | 93.1 | Very high | 93.2 | Very high | 107 Ų | 107 | 42.9 Ų | 42.9 | 47% | 0.465 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.4 | -47.6 | 175.2 | -67 | 174.3 | -175.9 | 171 | 0 | 111.8 | V865 E866 L867 V871 V872 E873 | V865-K869 PolarHBondContact O-N 3.49Å; E866-K869 WeakPolarHBondContact O-CB 3.48Å; E866-K869 PolarHBondContact O-N 2.75Å; E866-K869 IonicContact OE1-NZ 3.57Å; E866-K869 PolarHBondContact OE1-NZ 3.48Å; L867-K869 VanDerWaalsContact C-N 3.28Å; L867-K869 PolarHBondContact O-N 3.37Å; K869-V871 VanDerWaalsContact C-N 3.29Å; K869-V871 PolarHBondContact O-N 3.46Å; K869-V872 PolarHBondContact O-N 3.26Å; K869-V872 VanDerWaalsContact O-N 3.17Å; K869-E873 WeakPolarHBondContact O-CG 3.33Å; K869-E873 PolarHBondContact O-N 2.71Å |
| 870 | L | 94.3 | Very high | 93.1 | Very high | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.094 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -37.1 | 178.1 | -66.3 | 171.7 | 0 | 0 | 0 | 112.6 | E866 L867 N874 N903 V904 F1003 | E866-L870 PolarHBondContact O-N 3.3Å; L867-L870 PolarHBondContact O-N 3.47Å; L870-N874 PolarHBondContact O-N 2.89Å; L870-N874 PolarHBondContact O-ND2 3.23Å; L870-N903 HydrophobicContact CD1-CB 4.04Å; L870-V904 HydrophobicContact CB-CG2 4.11Å; L870-V904 HydrophobicContact CD1-CG2 3.75Å; L870-F1003 HydrophobicContact CB-CE1 4.34Å |
| 871 | V | 93.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.7 | -42.8 | 175.5 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | L867 K868 K869 N874 M875 L878 V996 L999 L1000 F1003 | L867-V871 WeakPolarHBondContact O-CG2 3.45Å; L867-V871 PolarHBondContact O-N 3.21Å; K868-V871 PolarHBondContact O-N 3.49Å; K869-V871 VanDerWaalsContact C-N 3.29Å; K869-V871 PolarHBondContact O-N 3.46Å; V871-N874 CarbonylContact O-C 3.44Å; V871-N874 PolarHBondContact O-N 3.3Å; V871-M875 WeakPolarHBondContact O-CA 3.39Å; V871-M875 PolarHBondContact O-N 3.03Å; V871-L878 HydrophobicContact CG1-CD1 4.06Å; V871-V996 HydrophobicContact CB-CG1 4.13Å; V871-V996 HydrophobicContact CG1-CB 4.42Å; V871-V996 HydrophobicContact CG1-CG1 3.9Å; V871-L999 HydrophobicContact CG1-CB 3.62Å; V871-L1000 HydrophobicContact CG2-CB 3.89Å; V871-L1000 HydrophobicContact CG2-CD1 3.78Å; V871-L1000 HydrophobicContact CG2-CG 4.44Å; V871-F1003 HydrophobicContact CG2-CD1 4.14Å |
| 872 | V | 92.4 | Very high | 92.8 | Very high | 83 Ų | 83 | 47.9 Ų | 47.9 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 177.9 | 171.2 | 0 | 0 | 0 | 0 | 111 | K868 K869 N874 M875 V996 | K868-V872 WeakPolarHBondContact O-CG2 3.35Å; K868-V872 PolarHBondContact O-N 2.92Å; K869-V872 PolarHBondContact O-N 3.26Å; K869-V872 VanDerWaalsContact O-N 3.17Å; V872-N874 PolarHBondContact O-N 3.28Å; V872-M875 WeakPolarHBondContact O-CB 3.29Å; V872-M875 PolarHBondContact O-N 2.95Å; V872-V996 HydrophobicContact CG2-CG2 3.98Å |
| 873 | E | 93.9 | Very high | 92.6 | Very high | 133 Ų | 133 | 49.6 Ų | 49.6 | 62% | 0.621 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -59.9 | -31 | 175.5 | -74.2 | 171.6 | -173.2 | 0 | 0 | 113.2 | K869 | K869-E873 WeakPolarHBondContact O-CG 3.33Å; K869-E873 PolarHBondContact O-N 2.71Å |
| 874 | N | 93.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 14.1 | -178.4 | -69.8 | -88.8 | 0 | 0 | 0 | 113.2 | L870 V871 V872 D876 I877 L878 L898 T899 F1003 | L870-N874 PolarHBondContact O-N 2.89Å; L870-N874 PolarHBondContact O-ND2 3.23Å; V871-N874 CarbonylContact O-C 3.44Å; V871-N874 PolarHBondContact O-N 3.3Å; V872-N874 PolarHBondContact O-N 3.28Å; N874-D876 PolarHBondContact O-N 3.08Å; N874-I877 PolarHBondContact O-N 3.4Å; N874-L878 HydrophobicContact CB-CD1 3.89Å; N874-L878 HydrophobicContact CB-CG 4.08Å; N874-L878 VanDerWaalsContact O-CG 3.32Å; N874-L878 WeakPolarHBondContact O-CG 3.38Å; N874-L878 PolarHBondContact O-N 3.35Å; N874-L898 HydrophobicContact CB-CD2 4.05Å; N874-L898 WeakPolarHBondContact OD1-CA 3.36Å; N874-T899 PolarHBondContact ND2-O 3.34Å; N874-T899 VanDerWaalsContact ND2-O 3.07Å; N874-T899 PolarHBondContact ND2-OG1 3.32Å; N874-T899 PolarHBondContact OD1-N 3.09Å; N874-T899 PolarHBondContact OD1-OG1 3.46Å; N874-F1003 HydrophobicContact CB-CE1 4.08Å; N874-F1003 HydrophobicContact CB-CZ 4.36Å |
| 875 | M | 92.8 | Very high | 91.9 | Very high | 62 Ų | 62 | 52.3 Ų | 52.3 | 31% | 0.305 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.5 | -47 | -165.3 | -177.7 | 173.2 | 61.9 | 0 | 0 | 113.3 | V871 V872 I877 L878 V879 L999 | V871-M875 WeakPolarHBondContact O-CA 3.39Å; V871-M875 PolarHBondContact O-N 3.03Å; V872-M875 WeakPolarHBondContact O-CB 3.29Å; V872-M875 PolarHBondContact O-N 2.95Å; M875-I877 PolarHBondContact O-N 3.1Å; M875-L878 PolarHBondContact O-N 3.01Å; M875-V879 VanDerWaalsContact O-CG2 3.3Å; M875-V879 WeakPolarHBondContact O-CG2 3.35Å; M875-V879 PolarHBondContact O-N 3.45Å; M875-L999 HydrophobicContact CG-CD1 3.84Å |
| 876 | D | 92.1 | Very high | 91.2 | Very high | 118 Ų | 118 | 54.2 Ų | 54.2 | 63% | 0.631 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.8 | -40.6 | -176.5 | -65.9 | -30.9 | 0 | 0 | 0 | 112.1 | N874 Q880 | N874-D876 PolarHBondContact O-N 3.08Å; D876-Q880 WeakPolarHBondContact O-CG 3.28Å; D876-Q880 PolarHBondContact O-N 3.01Å |
| 877 | I | 91.9 | Very high | 90.8 | Very high | 30 Ų | 30 | 57 Ų | 57 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.2 | -45.4 | 178.2 | -60 | 166.8 | 0 | 0 | 0 | 109.7 | N874 M875 V879 Q880 I881 Q897 L898 | N874-I877 PolarHBondContact O-N 3.4Å; M875-I877 PolarHBondContact O-N 3.1Å; I877-V879 VanDerWaalsContact C-N 3.32Å; I877-V879 PolarHBondContact O-N 2.97Å; I877-Q880 WeakPolarHBondContact O-CB 3.4Å; I877-Q880 PolarHBondContact O-N 3.33Å; I877-Q880 VanDerWaalsContact O-N 3.12Å; I877-I881 HydrophobicContact CG2-CD1 3.85Å; I877-I881 HydrophobicContact CG2-CG1 4.34Å; I877-I881 WeakPolarHBondContact O-CG1 3.24Å; I877-I881 PolarHBondContact O-N 3.42Å; I877-Q897 HydrophobicContact CD1-CB 3.72Å; I877-Q897 WeakPolarHBondContact CD1-O 3.25Å; I877-L898 HydrophobicContact CB-CD2 4.25Å; I877-L898 HydrophobicContact CG2-CD2 3.73Å; I877-L898 HydrophobicContact CG2-CG 4.16Å |
| 878 | L | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.3 | -35.9 | -180 | -68.1 | 170.3 | 0 | 0 | 0 | 112.4 | V871 N874 M875 I881 R882 L898 L999 F1003 | V871-L878 HydrophobicContact CG1-CD1 4.06Å; N874-L878 HydrophobicContact CB-CD1 3.89Å; N874-L878 HydrophobicContact CB-CG 4.08Å; N874-L878 VanDerWaalsContact O-CG 3.32Å; N874-L878 WeakPolarHBondContact O-CG 3.38Å; N874-L878 PolarHBondContact O-N 3.35Å; M875-L878 PolarHBondContact O-N 3.01Å; L878-I881 PolarHBondContact O-N 3.36Å; L878-R882 WeakPolarHBondContact O-CB 3.44Å; L878-R882 PolarHBondContact O-N 2.86Å; L878-L898 HydrophobicContact CD2-CD2 3.84Å; L878-L898 HydrophobicContact CG-CD2 4.18Å; L878-L999 HydrophobicContact CB-CB 4.25Å; L878-L999 HydrophobicContact CB-CD1 4.4Å; L878-L999 HydrophobicContact CB-CD2 3.92Å; L878-L999 HydrophobicContact CB-CG 4.4Å; L878-L999 HydrophobicContact CD1-CB 4.24Å; L878-F1003 HydrophobicContact CD1-CB 4Å; L878-F1003 HydrophobicContact CD1-CD1 3.67Å; L878-F1003 HydrophobicContact CD1-CE1 4.32Å; L878-F1003 HydrophobicContact CD1-CG 3.97Å; L878-F1003 HydrophobicContact CD2-CB 3.62Å; L878-F1003 HydrophobicContact CD2-CD1 4.24Å; L878-F1003 HydrophobicContact CD2-CD2 4Å; L878-F1003 HydrophobicContact CD2-CG 3.71Å; L878-F1003 HydrophobicContact CG-CB 4.49Å; L878-F1003 HydrophobicContact CG-CG 4.46Å |
| 879 | V | 92.7 | Very high | 89.5 | Confident | 50 Ų | 50 | 65.8 Ų | 65.8 | 30% | 0.303 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 173.6 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | M875 I877 S883 L999 | M875-V879 VanDerWaalsContact O-CG2 3.3Å; M875-V879 WeakPolarHBondContact O-CG2 3.35Å; M875-V879 PolarHBondContact O-N 3.45Å; I877-V879 VanDerWaalsContact C-N 3.32Å; I877-V879 PolarHBondContact O-N 2.97Å; V879-S883 PolarHBondContact O-N 3.02Å; V879-S883 VanDerWaalsContact O-N 3.16Å; V879-S883 PolarHBondContact O-OG 2.99Å; V879-L999 HydrophobicContact CG2-CD1 3.85Å; V879-L999 HydrophobicContact CG2-CD2 4Å |
| 880 | Q | 90.6 | Very high | 88.9 | Confident | 98 Ų | 98 | 63.8 Ų | 63.8 | 46% | 0.458 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 177.2 | -69.8 | -179.6 | 34.6 | 0 | 0 | 111.9 | D876 I877 S883 N884 L894 | D876-Q880 WeakPolarHBondContact O-CG 3.28Å; D876-Q880 PolarHBondContact O-N 3.01Å; I877-Q880 WeakPolarHBondContact O-CB 3.4Å; I877-Q880 PolarHBondContact O-N 3.33Å; I877-Q880 VanDerWaalsContact O-N 3.12Å; Q880-S883 PolarHBondContact O-N 2.82Å; Q880-N884 WeakPolarHBondContact O-CB 3.2Å; Q880-N884 PolarHBondContact O-N 3.34Å; Q880-N884 VanDerWaalsContact O-N 3.16Å; Q880-N884 PolarHBondContact O-ND2 3.31Å; Q880-L894 HydrophobicContact CB-CD1 4.04Å; Q880-L894 HydrophobicContact CB-CD2 4.39Å |
| 881 | I | 90 | Very high | 88.4 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.1 | -50.8 | 174.7 | -71.1 | 175.2 | 0 | 0 | 0 | 110.4 | I877 L878 S883 N884 F885 M891 L894 L895 L898 I1002 V1006 | I877-I881 HydrophobicContact CG2-CD1 3.85Å; I877-I881 HydrophobicContact CG2-CG1 4.34Å; I877-I881 WeakPolarHBondContact O-CG1 3.24Å; I877-I881 PolarHBondContact O-N 3.42Å; L878-I881 PolarHBondContact O-N 3.36Å; I881-S883 PolarHBondContact O-N 2.83Å; I881-N884 CarbonylContact O-C 3.15Å; I881-N884 PolarHBondContact O-N 3.5Å; I881-N884 VanDerWaalsContact O-N 3.08Å; I881-F885 PolarHBondContact O-N 3.42Å; I881-M891 HydrophobicContact CB-CE 4.31Å; I881-M891 HydrophobicContact CB-SD 4.32Å; I881-M891 HydrophobicContact CD1-CE 4.21Å; I881-M891 HydrophobicContact CG1-CE 3.83Å; I881-M891 HydrophobicContact CG1-SD 4.17Å; I881-M891 HydrophobicContact CG2-CE 3.82Å; I881-M891 HydrophobicContact CG2-SD 4.04Å; I881-L894 HydrophobicContact CD1-CB 4.43Å; I881-L894 HydrophobicContact CG1-CB 4.03Å; I881-L894 HydrophobicContact CG1-CD1 4.17Å; I881-L895 HydrophobicContact CD1-CD2 4.48Å; I881-L898 HydrophobicContact CD1-CD1 3.83Å; I881-L898 HydrophobicContact CD1-CD2 4.22Å; I881-L898 HydrophobicContact CD1-CG 4.17Å; I881-I1002 HydrophobicContact CB-CG2 4.43Å; I881-I1002 HydrophobicContact CG2-CG2 3.69Å; I881-V1006 HydrophobicContact CG2-CG1 3.84Å |
| 882 | R | 91.8 | Very high | 87.7 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.2 | -32.7 | 178.6 | -170.4 | 180 | -174.5 | -174.1 | 7.1 | 112.9 | L878 F885 I1002 E1058 | L878-R882 WeakPolarHBondContact O-CB 3.44Å; L878-R882 PolarHBondContact O-N 2.86Å; R882-F885 WeakPolarHBondContact O-CD1 3.49Å; R882-F885 WeakPolarHBondContact O-CE1 3.41Å; R882-I1002 HydrophobicContact CB-CD1 4.4Å; R882-I1002 HydrophobicContact CB-CG1 4.08Å; R882-I1002 HydrophobicContact CB-CG2 4.38Å; R882-I1002 HydrophobicContact CG-CD1 3.95Å; R882-I1002 HydrophobicContact CG-CG1 3.92Å; R882-E1058 IonicContact CZ-OE1 2.92Å; R882-E1058 IonicContact CZ-OE2 2.99Å; R882-E1058 IonicContact NE-OE1 3.19Å; R882-E1058 PolarHBondContact NE-OE1 3.34Å; R882-E1058 IonicContact NE-OE2 2.8Å; R882-E1058 IonicContact NH2-OE1 3.52Å; R882-E1058 PolarHBondContact NH2-OE1 2.96Å; R882-E1058 IonicContact NH2-OE2 2.77Å; R882-E1058 PolarHBondContact NH2-OE2 2.83Å |
| 883 | S | 89.6 | Confident | 87.4 | Confident | 85 Ų | 85 | 65.3 Ų | 65.3 | 59% | 0.594 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -85.8 | -15.2 | -179.3 | -52.4 | 0 | 0 | 0 | 0 | 113.9 | V879 Q880 I881 | V879-S883 PolarHBondContact O-N 3.02Å; V879-S883 VanDerWaalsContact O-N 3.16Å; V879-S883 PolarHBondContact O-OG 2.99Å; Q880-S883 PolarHBondContact O-N 2.82Å; I881-S883 PolarHBondContact O-N 2.83Å |
| 884 | N | 88.8 | Confident | 86.9 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 17% | 0.166 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -135.1 | 17.4 | -170.8 | -62.6 | -79.3 | 0 | 0 | 0 | 114.9 | Q880 I881 S886 K887 L890 | Q880-N884 WeakPolarHBondContact O-CB 3.2Å; Q880-N884 PolarHBondContact O-N 3.34Å; Q880-N884 VanDerWaalsContact O-N 3.16Å; Q880-N884 PolarHBondContact O-ND2 3.31Å; I881-N884 CarbonylContact O-C 3.15Å; I881-N884 PolarHBondContact O-N 3.5Å; I881-N884 VanDerWaalsContact O-N 3.08Å; N884-S886 PolarHBondContact O-N 3.46Å; N884-K887 PolarHBondContact O-N 3.2Å; N884-K887 PolarHBondContact OD1-NZ 3.14Å; N884-K887 VanDerWaalsContact OD1-NZ 3.1Å; N884-L890 HydrophobicContact CB-CD2 3.61Å |
| 885 | F | 83.4 | Confident | 86.5 | Confident | 60 Ų | 60 | 60.9 Ų | 60.9 | 26% | 0.263 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21 | -179.1 | 62.6 | -93 | 0 | 0 | 0 | 114.3 | I881 R882 K887 V1061 V1062 | I881-F885 PolarHBondContact O-N 3.42Å; R882-F885 WeakPolarHBondContact O-CD1 3.49Å; R882-F885 WeakPolarHBondContact O-CE1 3.41Å; F885-K887 VanDerWaalsContact C-N 3.34Å; F885-V1061 HydrophobicContact CE2-CG1 4.05Å; F885-V1062 HydrophobicContact CB-CG2 4.44Å; F885-V1062 HydrophobicContact CD1-CG2 4.21Å; F885-V1062 HydrophobicContact CD2-CG2 4.3Å; F885-V1062 HydrophobicContact CG-CG2 4.07Å |
| 886 | S | 78.6 | Confident | 86.2 | Confident | 92 Ų | 92 | 63 Ų | 63 | 64% | 0.643 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -4.1 | 175.9 | 55.8 | 0 | 0 | 0 | 0 | 114.9 | N884 P888 | N884-S886 PolarHBondContact O-N 3.46Å; S886-P888 WeakPolarHBondContact O-CD 3.41Å |
| 887 | K | 85.4 | Confident | 86 | Confident | 115 Ų | 115 | 62.3 Ų | 62.3 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | trans | -110.6 | 99.3 | -178.9 | -64.7 | 178 | -172.7 | 160.9 | 0 | 111.4 | N884 F885 D889 L890 M891 | N884-K887 PolarHBondContact O-N 3.2Å; N884-K887 PolarHBondContact OD1-NZ 3.14Å; N884-K887 VanDerWaalsContact OD1-NZ 3.1Å; F885-K887 VanDerWaalsContact C-N 3.34Å; K887-D889 PolarHBondContact O-N 2.9Å; K887-L890 HydrophobicContact CB-CB 4.32Å; K887-L890 PolarHBondContact O-N 2.84Å; K887-M891 WeakPolarHBondContact O-CG 3.48Å; K887-M891 PolarHBondContact O-N 2.8Å; K887-M891 VanDerWaalsContact O-N 3.13Å | ||
| 888 | P | 77.9 | Confident | 85.9 | Confident | 77 Ų | 77 | 61.8 Ų | 61.8 | 50% | 0.5 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | -172.9 | -23.6 | 33.2 | 0 | 0 | 0 | 114.4 | S886 L890 M891 A892 | S886-P888 WeakPolarHBondContact O-CD 3.41Å; P888-L890 VanDerWaalsContact C-N 3.32Å; P888-L890 PolarHBondContact O-N 3.06Å; P888-M891 PolarHBondContact O-N 3.44Å; P888-A892 PolarHBondContact O-N 3.08Å |
| 889 | D | 80.3 | Confident | 85.8 | Confident | 150 Ų | 150 | 65.7 Ų | 65.7 | 80% | 0.802 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.2 | -35.3 | -176.3 | -58.1 | -40.9 | 0 | 0 | 0 | 112.7 | K887 | K887-D889 PolarHBondContact O-N 2.9Å |
| 890 | L | 81.7 | Confident | 85.6 | Confident | 66 Ų | 66 | 64.6 Ų | 64.6 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -77.5 | -35.1 | 176.3 | -166.6 | 71.8 | 0 | 0 | 0 | 111.1 | N884 K887 P888 A892 S893 L894 | N884-L890 HydrophobicContact CB-CD2 3.61Å; K887-L890 HydrophobicContact CB-CB 4.32Å; K887-L890 PolarHBondContact O-N 2.84Å; P888-L890 VanDerWaalsContact C-N 3.32Å; P888-L890 PolarHBondContact O-N 3.06Å; L890-A892 VanDerWaalsContact C-N 3.32Å; L890-A892 PolarHBondContact O-N 3.29Å; L890-S893 PolarHBondContact O-N 3.28Å; L890-S893 PolarHBondContact O-OG 3.1Å; L890-L894 HydrophobicContact CD2-CD1 4.24Å; L890-L894 HydrophobicContact CG-CD1 3.93Å; L890-L894 HydrophobicContact CG-CG 4.46Å; L890-L894 WeakPolarHBondContact O-CG 3.38Å; L890-L894 PolarHBondContact O-N 2.9Å; L890-L894 VanDerWaalsContact O-N 3.16Å |
| 891 | M | 82.3 | Confident | 85.5 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 175.3 | -74.2 | -55.5 | -40.1 | 0 | 0 | 112.3 | I881 K887 P888 S893 L894 L895 | I881-M891 HydrophobicContact CB-CE 4.31Å; I881-M891 HydrophobicContact CB-SD 4.32Å; I881-M891 HydrophobicContact CD1-CE 4.21Å; I881-M891 HydrophobicContact CG1-CE 3.83Å; I881-M891 HydrophobicContact CG1-SD 4.17Å; I881-M891 HydrophobicContact CG2-CE 3.82Å; I881-M891 HydrophobicContact CG2-SD 4.04Å; K887-M891 WeakPolarHBondContact O-CG 3.48Å; K887-M891 PolarHBondContact O-N 2.8Å; K887-M891 VanDerWaalsContact O-N 3.13Å; P888-M891 PolarHBondContact O-N 3.44Å; M891-S893 PolarHBondContact O-N 2.84Å; M891-L894 PolarHBondContact O-N 3.16Å; M891-L895 HydrophobicContact CE-CD1 4.09Å; M891-L895 HydrophobicContact CE-CD2 3.65Å; M891-L895 HydrophobicContact CE-CG 3.62Å; M891-L895 VanDerWaalsContact O-CG 3.29Å; M891-L895 WeakPolarHBondContact O-CG 3.23Å; M891-L895 PolarHBondContact O-N 3.03Å |
| 892 | A | 80.1 | Confident | 85.5 | Confident | 69 Ų | 69 | 67 Ų | 67 | 57% | 0.57 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.7 | -27.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P888 L890 P896 | P888-A892 PolarHBondContact O-N 3.08Å; L890-A892 VanDerWaalsContact C-N 3.32Å; L890-A892 PolarHBondContact O-N 3.29Å; A892-P896 VanDerWaalsContact O-CD 3.3Å; A892-P896 WeakPolarHBondContact O-CD 3.43Å |
| 893 | S | 84.8 | Confident | 85.5 | Confident | 59 Ų | 59 | 67.9 Ų | 67.9 | 41% | 0.413 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -91 | -26.6 | 176.7 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | L890 M891 Q897 | L890-S893 PolarHBondContact O-N 3.28Å; L890-S893 PolarHBondContact O-OG 3.1Å; M891-S893 PolarHBondContact O-N 2.84Å; S893-Q897 PolarHBondContact O-NE2 3.32Å |
| 894 | L | 85.1 | Confident | 85.7 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -84.7 | -38.6 | -179 | -69.1 | 172.6 | 0 | 0 | 0 | 113.4 | Q880 I881 L890 M891 Q897 | Q880-L894 HydrophobicContact CB-CD1 4.04Å; Q880-L894 HydrophobicContact CB-CD2 4.39Å; I881-L894 HydrophobicContact CD1-CB 4.43Å; I881-L894 HydrophobicContact CG1-CB 4.03Å; I881-L894 HydrophobicContact CG1-CD1 4.17Å; L890-L894 HydrophobicContact CD2-CD1 4.24Å; L890-L894 HydrophobicContact CG-CD1 3.93Å; L890-L894 HydrophobicContact CG-CG 4.46Å; L890-L894 WeakPolarHBondContact O-CG 3.38Å; L890-L894 PolarHBondContact O-N 2.9Å; L890-L894 VanDerWaalsContact O-N 3.16Å; M891-L894 PolarHBondContact O-N 3.16Å; L894-Q897 WeakPolarHBondContact O-CB 3.39Å; L894-Q897 PolarHBondContact O-N 3.35Å; L894-Q897 VanDerWaalsContact O-N 3.11Å |
| 895 | L | 84.8 | Confident | 85.9 | Confident | 39 Ų | 39 | 62.6 Ų | 62.6 | 20% | 0.204 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -59 | -41.4 | -177.4 | -70.3 | 168.8 | 0 | 0 | 0 | 114.1 | I881 M891 Q897 L898 V1006 | I881-L895 HydrophobicContact CD1-CD2 4.48Å; M891-L895 HydrophobicContact CE-CD1 4.09Å; M891-L895 HydrophobicContact CE-CD2 3.65Å; M891-L895 HydrophobicContact CE-CG 3.62Å; M891-L895 VanDerWaalsContact O-CG 3.29Å; M891-L895 WeakPolarHBondContact O-CG 3.23Å; M891-L895 PolarHBondContact O-N 3.03Å; L895-Q897 PolarHBondContact O-N 3.39Å; L895-L898 HydrophobicContact CD2-CD1 4.28Å; L895-L898 PolarHBondContact O-N 3.45Å; L895-V1006 HydrophobicContact CD2-CB 3.78Å; L895-V1006 HydrophobicContact CD2-CG1 4.33Å; L895-V1006 HydrophobicContact CD2-CG2 4.15Å |
| 896 | P | 86 | Confident | 86.4 | Confident | 105 Ų | 105 | 65.9 Ų | 65.9 | 68% | 0.682 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -67.8 | -14.7 | 177.9 | -21.1 | 34.6 | 0 | 0 | 0 | 114.5 | A892 | A892-P896 VanDerWaalsContact O-CD 3.3Å; A892-P896 WeakPolarHBondContact O-CD 3.43Å |
| 897 | Q | 88.7 | Confident | 87.1 | Confident | 104 Ų | 104 | 64.5 Ų | 64.5 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -84.2 | -13 | 179.8 | -59.2 | 178.9 | 33.9 | 0 | 0 | 112.6 | I877 S893 L894 L895 T899 | I877-Q897 HydrophobicContact CD1-CB 3.72Å; I877-Q897 WeakPolarHBondContact CD1-O 3.25Å; S893-Q897 PolarHBondContact O-NE2 3.32Å; L894-Q897 WeakPolarHBondContact O-CB 3.39Å; L894-Q897 PolarHBondContact O-N 3.35Å; L894-Q897 VanDerWaalsContact O-N 3.11Å; L895-Q897 PolarHBondContact O-N 3.39Å; Q897-T899 PolarHBondContact O-N 2.98Å |
| 898 | L | 89.8 | Confident | 87.6 | Confident | 19 Ų | 19 | 59.1 Ų | 59.1 | 10% | 0.099 | 33% | 0.332 | C | S | . | . | trans | -70 | 128.2 | 177.1 | -70.5 | 172.8 | 0 | 0 | 0 | 111 | N874 I877 L878 I881 L895 F1003 V1006 | N874-L898 HydrophobicContact CB-CD2 4.05Å; N874-L898 WeakPolarHBondContact OD1-CA 3.36Å; I877-L898 HydrophobicContact CB-CD2 4.25Å; I877-L898 HydrophobicContact CG2-CD2 3.73Å; I877-L898 HydrophobicContact CG2-CG 4.16Å; L878-L898 HydrophobicContact CD2-CD2 3.84Å; L878-L898 HydrophobicContact CG-CD2 4.18Å; I881-L898 HydrophobicContact CD1-CD1 3.83Å; I881-L898 HydrophobicContact CD1-CD2 4.22Å; I881-L898 HydrophobicContact CD1-CG 4.17Å; L895-L898 HydrophobicContact CD2-CD1 4.28Å; L895-L898 PolarHBondContact O-N 3.45Å; L898-F1003 HydrophobicContact CB-CE2 4.24Å; L898-F1003 HydrophobicContact CD1-CD2 4.34Å; L898-F1003 HydrophobicContact CD1-CE2 4.13Å; L898-F1003 HydrophobicContact CD2-CD2 4.49Å; L898-F1003 HydrophobicContact CD2-CE2 4.08Å; L898-F1003 HydrophobicContact CD2-CZ 4.39Å; L898-F1003 HydrophobicContact CG-CE2 4.39Å; L898-V1006 HydrophobicContact CD1-CG2 3.74Å | ||
| 899 | T | 89.8 | Confident | 88.4 | Confident | 82 Ų | 82 | 56.2 Ų | 56.2 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | trans | -103.5 | 137.5 | 175.7 | 59.3 | 0 | 0 | 0 | 0 | 110.7 | N874 Q897 | N874-T899 PolarHBondContact ND2-O 3.34Å; N874-T899 VanDerWaalsContact ND2-O 3.07Å; N874-T899 PolarHBondContact ND2-OG1 3.32Å; N874-T899 PolarHBondContact OD1-N 3.09Å; N874-T899 PolarHBondContact OD1-OG1 3.46Å; Q897-T899 PolarHBondContact O-N 2.98Å | ||
| 900 | G | 88.8 | Confident | 89.1 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | trans | 78.9 | 18.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | E902 N903 V904 | G900-E902 VanDerWaalsContact C-N 3.29Å; G900-E902 PolarHBondContact O-N 2.75Å; G900-N903 WeakPolarHBondContact O-CA 3.34Å; G900-N903 WeakPolarHBondContact O-CB 3.49Å; G900-N903 PolarHBondContact O-N 3.09Å; G900-V904 PolarHBondContact O-N 2.85Å | ||
| 901 | A | 88.5 | Confident | 89.8 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.5 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N903 V904 L905 F1003 F1010 | A901-N903 VanDerWaalsContact C-N 3.33Å; A901-N903 PolarHBondContact O-N 3.03Å; A901-V904 WeakPolarHBondContact O-CB 3.34Å; A901-V904 PolarHBondContact O-N 3.18Å; A901-L905 PolarHBondContact O-N 3.46Å; A901-L905 VanDerWaalsContact O-N 3.15Å; A901-F1003 HydrophobicContact CB-CE2 4.13Å; A901-F1010 HydrophobicContact CB-CD2 3.93Å; A901-F1010 HydrophobicContact CB-CE2 3.8Å |
| 902 | E | 89.1 | Confident | 90.5 | Very high | 141 Ų | 141 | 47 Ų | 47 | 66% | 0.659 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.4 | -36.2 | 174.6 | -65.9 | -178.6 | 176.7 | 0 | 0 | 112.5 | G900 L905 K906 | G900-E902 VanDerWaalsContact C-N 3.29Å; G900-E902 PolarHBondContact O-N 2.75Å; E902-L905 PolarHBondContact O-N 3.23Å; E902-K906 WeakPolarHBondContact O-CB 3.39Å; E902-K906 PolarHBondContact O-N 2.91Å |
| 903 | N | 92.1 | Very high | 91.2 | Very high | 85 Ų | 85 | 43.8 Ų | 43.8 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.7 | -37.1 | 176.6 | -71.2 | -27.8 | 0 | 0 | 0 | 111.5 | L870 G900 A901 K906 R907 | L870-N903 HydrophobicContact CD1-CB 4.04Å; G900-N903 WeakPolarHBondContact O-CA 3.34Å; G900-N903 WeakPolarHBondContact O-CB 3.49Å; G900-N903 PolarHBondContact O-N 3.09Å; A901-N903 VanDerWaalsContact C-N 3.33Å; A901-N903 PolarHBondContact O-N 3.03Å; N903-K906 PolarHBondContact O-N 3.25Å; N903-R907 WeakPolarHBondContact O-CB 3.44Å; N903-R907 VanDerWaalsContact O-CG 3.27Å; N903-R907 WeakPolarHBondContact O-CG 3.33Å; N903-R907 PolarHBondContact O-N 3.32Å |
| 904 | V | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.4 | -49.7 | 173.9 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | L867 L870 G900 A901 R907 M908 F1003 L1004 | L867-V904 HydrophobicContact CD2-CB 4.26Å; L867-V904 HydrophobicContact CD2-CG1 4.05Å; L867-V904 HydrophobicContact CD2-CG2 4.37Å; L870-V904 HydrophobicContact CB-CG2 4.11Å; L870-V904 HydrophobicContact CD1-CG2 3.75Å; G900-V904 PolarHBondContact O-N 2.85Å; A901-V904 WeakPolarHBondContact O-CB 3.34Å; A901-V904 PolarHBondContact O-N 3.18Å; V904-R907 PolarHBondContact O-N 3.42Å; V904-M908 PolarHBondContact O-N 3.34Å; V904-F1003 HydrophobicContact CG2-CD1 3.82Å; V904-F1003 HydrophobicContact CG2-CD2 4.44Å; V904-F1003 HydrophobicContact CG2-CE1 3.63Å; V904-F1003 HydrophobicContact CG2-CE2 4.25Å; V904-F1003 HydrophobicContact CG2-CG 4.24Å; V904-F1003 HydrophobicContact CG2-CZ 3.86Å; V904-L1004 HydrophobicContact CG1-CD2 3.52Å; V904-L1004 HydrophobicContact CG1-CG 3.97Å |
| 905 | L | 93 | Very high | 92.3 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 177.2 | -67.8 | 168.2 | 0 | 0 | 0 | 112.1 | A901 E902 M908 T909 S1007 L1008 F1010 L1011 L1033 | A901-L905 PolarHBondContact O-N 3.46Å; A901-L905 VanDerWaalsContact O-N 3.15Å; E902-L905 PolarHBondContact O-N 3.23Å; L905-M908 PolarHBondContact O-N 2.96Å; L905-T909 WeakPolarHBondContact O-CB 3.21Å; L905-T909 PolarHBondContact O-N 2.75Å; L905-T909 PolarHBondContact O-OG1 3.1Å; L905-S1007 WeakPolarHBondContact CD1-O 3.25Å; L905-L1008 HydrophobicContact CD2-CD2 4.16Å; L905-F1010 HydrophobicContact CD1-CB 4.33Å; L905-L1011 HydrophobicContact CB-CD2 4.4Å; L905-L1011 HydrophobicContact CD1-CD2 3.75Å; L905-L1011 HydrophobicContact CD1-CG 3.83Å; L905-L1011 HydrophobicContact CD2-CD1 4.21Å; L905-L1011 HydrophobicContact CD2-CG 4.37Å; L905-L1011 HydrophobicContact CG-CD2 4.48Å; L905-L1033 HydrophobicContact CD2-CD1 4.44Å |
| 906 | K | 92.8 | Very high | 92.8 | Very high | 129 Ų | 129 | 39.7 Ų | 39.7 | 56% | 0.561 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -61.1 | -47.3 | 179 | -174 | 176.9 | -178.8 | 178.2 | 0 | 111.8 | E902 N903 T909 I910 | E902-K906 WeakPolarHBondContact O-CB 3.39Å; E902-K906 PolarHBondContact O-N 2.91Å; N903-K906 PolarHBondContact O-N 3.25Å; K906-T909 WeakPolarHBondContact O-CB 3.47Å; K906-T909 PolarHBondContact O-N 2.66Å; K906-I910 HydrophobicContact CG-CD1 4.42Å; K906-I910 WeakPolarHBondContact O-CG1 3.38Å; K906-I910 PolarHBondContact O-N 2.98Å |
| 907 | R | 95.1 | Very high | 93.3 | Very high | 63 Ų | 63 | 34.7 Ų | 34.7 | 24% | 0.238 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.9 | -41.5 | 179.9 | -70.2 | -178.6 | -177.2 | -81.4 | 14.7 | 112.3 | E866 L867 N903 V904 T909 I910 I911 | E866-R907 IonicContact OE2-CZ 3.43Å; E866-R907 IonicContact OE2-NH2 3.03Å; E866-R907 PolarHBondContact OE2-NH2 3.22Å; L867-R907 HydrophobicContact CD1-CB 4.4Å; L867-R907 HydrophobicContact CD2-CB 3.86Å; L867-R907 HydrophobicContact CG-CB 4.02Å; N903-R907 WeakPolarHBondContact O-CB 3.44Å; N903-R907 VanDerWaalsContact O-CG 3.27Å; N903-R907 WeakPolarHBondContact O-CG 3.33Å; N903-R907 PolarHBondContact O-N 3.32Å; V904-R907 PolarHBondContact O-N 3.42Å; R907-T909 VanDerWaalsContact C-N 3.28Å; R907-T909 PolarHBondContact O-N 3.4Å; R907-I910 PolarHBondContact O-N 2.76Å; R907-I911 WeakPolarHBondContact O-CG1 3.28Å; R907-I911 PolarHBondContact O-N 2.98Å |
| 908 | M | 95.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.3 | -31.6 | 172.8 | -83.6 | -55.1 | -79.6 | 0 | 0 | 112.7 | L867 V904 L905 I911 G912 L1004 L1033 A1036 I1037 V1040 | L867-M908 HydrophobicContact CD1-CG 3.72Å; L867-M908 HydrophobicContact CD1-SD 3.46Å; L867-M908 WeakPolarHBondContact CD1-SD 3.41Å; L867-M908 HydrophobicContact CD2-CG 4.36Å; V904-M908 PolarHBondContact O-N 3.34Å; L905-M908 PolarHBondContact O-N 2.96Å; M908-I911 PolarHBondContact O-N 3.41Å; M908-I911 HydrophobicContact SD-CB 4.45Å; M908-I911 HydrophobicContact SD-CD1 3.6Å; M908-I911 VanDerWaalsContact SD-CD1 3.6Å; M908-G912 PolarHBondContact O-N 3.18Å; M908-L1004 HydrophobicContact CB-CD2 3.91Å; M908-L1004 HydrophobicContact CE-CD1 4.12Å; M908-L1004 HydrophobicContact CG-CD1 3.89Å; M908-L1004 HydrophobicContact CG-CD2 3.5Å; M908-L1004 HydrophobicContact CG-CG 4.27Å; M908-L1033 VanDerWaalsContact C-CD2 3.45Å; M908-L1033 HydrophobicContact CB-CD2 3.48Å; M908-L1033 VanDerWaalsContact CB-CD2 3.48Å; M908-A1036 VanDerWaalsContact CE-C 3.41Å; M908-A1036 HydrophobicContact CE-CB 3.41Å; M908-A1036 VanDerWaalsContact CE-CB 3.41Å; M908-A1036 WeakPolarHBondContact CE-O 3.49Å; M908-A1036 WeakPolarHBondContact O-CB 3.06Å; M908-A1036 HydrophobicContact SD-CB 4.39Å; M908-I1037 HydrophobicContact CE-CG1 4.36Å; M908-V1040 HydrophobicContact CE-CB 4.24Å; M908-V1040 HydrophobicContact CE-CG2 4.09Å; M908-V1040 HydrophobicContact SD-CG2 4.5Å |
| 909 | T | 94.8 | Very high | 93.8 | Very high | 16 Ų | 16 | 31.4 Ų | 31.4 | 10% | 0.098 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.1 | -42.2 | 174.2 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | L905 K906 R907 G912 V913 N1029 L1033 | L905-T909 WeakPolarHBondContact O-CB 3.21Å; L905-T909 PolarHBondContact O-N 2.75Å; L905-T909 PolarHBondContact O-OG1 3.1Å; K906-T909 WeakPolarHBondContact O-CB 3.47Å; K906-T909 PolarHBondContact O-N 2.66Å; R907-T909 VanDerWaalsContact C-N 3.28Å; R907-T909 PolarHBondContact O-N 3.4Å; T909-G912 PolarHBondContact O-N 2.83Å; T909-V913 WeakPolarHBondContact O-CG2 3.41Å; T909-V913 PolarHBondContact O-N 2.9Å; T909-N1029 HydrophobicContact CG2-CB 4Å; T909-L1033 VanDerWaalsContact N-CD2 3.29Å; T909-L1033 WeakPolarHBondContact OG1-CD2 3.28Å; T909-L1033 WeakPolarHBondContact OG1-CG 3.07Å |
| 910 | I | 95.3 | Very high | 94 | Very high | 27 Ų | 27 | 28.7 Ų | 28.7 | 14% | 0.138 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.6 | -46.6 | 174.3 | -66.8 | 165.4 | 0 | 0 | 0 | 110.8 | Q863 K906 R907 G912 V913 I914 | Q863-I910 HydrophobicContact CG-CG2 4.11Å; K906-I910 HydrophobicContact CG-CD1 4.42Å; K906-I910 WeakPolarHBondContact O-CG1 3.38Å; K906-I910 PolarHBondContact O-N 2.98Å; R907-I910 PolarHBondContact O-N 2.76Å; I910-G912 VanDerWaalsContact C-N 3.28Å; I910-G912 PolarHBondContact O-N 3.49Å; I910-V913 PolarHBondContact O-N 3.43Å; I910-I914 HydrophobicContact CG2-CD1 3.99Å; I910-I914 WeakPolarHBondContact O-CG1 3.45Å; I910-I914 PolarHBondContact O-N 2.96Å |
| 911 | I | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.2 | -45.7 | 174.9 | -69 | 166.8 | 0 | 0 | 0 | 110.3 | V860 Q863 I864 L867 R907 M908 V913 I914 L915 A1036 V1040 | V860-I911 HydrophobicContact CG1-CG1 4.22Å; V860-I911 HydrophobicContact CG1-CG2 3.78Å; V860-I911 HydrophobicContact CG2-CG2 4.33Å; Q863-I911 HydrophobicContact CB-CD1 3.66Å; Q863-I911 HydrophobicContact CB-CG1 3.57Å; Q863-I911 HydrophobicContact CG-CG1 4.16Å; I864-I911 HydrophobicContact CG1-CD1 3.85Å; L867-I911 HydrophobicContact CD1-CD1 3.61Å; R907-I911 WeakPolarHBondContact O-CG1 3.28Å; R907-I911 PolarHBondContact O-N 2.98Å; M908-I911 PolarHBondContact O-N 3.41Å; M908-I911 HydrophobicContact SD-CB 4.45Å; M908-I911 HydrophobicContact SD-CD1 3.6Å; M908-I911 VanDerWaalsContact SD-CD1 3.6Å; I911-V913 VanDerWaalsContact C-N 3.34Å; I911-V913 PolarHBondContact O-N 2.79Å; I911-I914 PolarHBondContact O-N 3.34Å; I911-L915 HydrophobicContact CG2-CD1 3.67Å; I911-L915 HydrophobicContact CG2-CG 4.23Å; I911-L915 WeakPolarHBondContact O-CB 3.31Å; I911-L915 VanDerWaalsContact O-CG 3.32Å; I911-L915 WeakPolarHBondContact O-CG 3.31Å; I911-L915 PolarHBondContact O-N 3.45Å; I911-A1036 HydrophobicContact CB-CB 4.3Å; I911-A1036 HydrophobicContact CG2-CB 3.96Å; I911-V1040 HydrophobicContact CG2-CG2 3.79Å |
| 912 | G | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.6 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M908 T909 I910 L915 S916 C1032 | M908-G912 PolarHBondContact O-N 3.18Å; T909-G912 PolarHBondContact O-N 2.83Å; I910-G912 VanDerWaalsContact C-N 3.28Å; I910-G912 PolarHBondContact O-N 3.49Å; G912-L915 PolarHBondContact O-N 3.41Å; G912-S916 VanDerWaalsContact O-CB 3.31Å; G912-S916 WeakPolarHBondContact O-CB 3.41Å; G912-S916 PolarHBondContact O-N 3.4Å; G912-S916 PolarHBondContact O-OG 3.08Å; G912-C1032 VanDerWaalsContact C-CB 3.45Å; G912-C1032 WeakPolarHBondContact CA-O 3.36Å |
| 913 | V | 95.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.2 | -47.7 | 176.5 | 163.6 | 0 | 0 | 0 | 0 | 110.6 | L798 A801 F815 T909 I910 I911 L915 S916 F917 N1029 C1032 | L798-V913 HydrophobicContact CD2-CG1 4.01Å; A801-V913 HydrophobicContact CB-CG1 3.86Å; F815-V913 HydrophobicContact CE1-CG1 3.85Å; F815-V913 HydrophobicContact CZ-CG1 4.08Å; T909-V913 WeakPolarHBondContact O-CG2 3.41Å; T909-V913 PolarHBondContact O-N 2.9Å; I910-V913 PolarHBondContact O-N 3.43Å; I911-V913 VanDerWaalsContact C-N 3.34Å; I911-V913 PolarHBondContact O-N 2.79Å; V913-L915 PolarHBondContact O-N 3.24Å; V913-S916 PolarHBondContact O-N 3.06Å; V913-F917 PolarHBondContact O-N 3.05Å; V913-N1029 HydrophobicContact CG2-CB 3.66Å; V913-C1032 HydrophobicContact CG2-CB 4.28Å |
| 914 | I | 96.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 21.4 Ų | 21.4 | 4% | 0.041 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 178.4 | -64.8 | 166.5 | 0 | 0 | 0 | 111 | L856 H859 V860 I910 I911 S916 F917 R918 | L856-I914 HydrophobicContact CB-CG2 3.8Å; L856-I914 HydrophobicContact CD2-CG2 3.79Å; L856-I914 HydrophobicContact CG-CG2 4.35Å; H859-I914 HydrophobicContact CB-CD1 3.98Å; V860-I914 HydrophobicContact CG2-CB 3.98Å; V860-I914 HydrophobicContact CG2-CD1 4.26Å; V860-I914 HydrophobicContact CG2-CG2 3.62Å; I910-I914 HydrophobicContact CG2-CD1 3.99Å; I910-I914 WeakPolarHBondContact O-CG1 3.45Å; I910-I914 PolarHBondContact O-N 2.96Å; I911-I914 PolarHBondContact O-N 3.34Å; I914-S916 VanDerWaalsContact C-N 3.33Å; I914-S916 PolarHBondContact O-N 3.23Å; I914-F917 PolarHBondContact O-N 2.95Å; I914-R918 PolarHBondContact O-N 3.41Å |
| 915 | L | 95.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 4% | 0.037 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.5 | -32.6 | 177.9 | -69.4 | 173.3 | 0 | 0 | 0 | 112.6 | M857 I911 G912 V913 R918 A919 K1035 Q1039 | M857-L915 HydrophobicContact CE-CD2 3.85Å; M857-L915 HydrophobicContact SD-CD2 4.5Å; I911-L915 HydrophobicContact CG2-CD1 3.67Å; I911-L915 HydrophobicContact CG2-CG 4.23Å; I911-L915 WeakPolarHBondContact O-CB 3.31Å; I911-L915 VanDerWaalsContact O-CG 3.32Å; I911-L915 WeakPolarHBondContact O-CG 3.31Å; I911-L915 PolarHBondContact O-N 3.45Å; G912-L915 PolarHBondContact O-N 3.41Å; V913-L915 PolarHBondContact O-N 3.24Å; L915-R918 PolarHBondContact O-N 3.23Å; L915-A919 WeakPolarHBondContact O-CB 3.42Å; L915-A919 PolarHBondContact O-N 3.48Å; L915-K1035 HydrophobicContact CB-CD 4.19Å; L915-K1035 HydrophobicContact CB-CG 4.24Å; L915-Q1039 HydrophobicContact CD1-CB 3.89Å; L915-Q1039 HydrophobicContact CD1-CG 4.5Å |
| 916 | S | 95.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.3 | -41.3 | 175.2 | -57.3 | 0 | 0 | 0 | 0 | 111 | G912 V913 I914 A919 M920 | G912-S916 VanDerWaalsContact O-CB 3.31Å; G912-S916 WeakPolarHBondContact O-CB 3.41Å; G912-S916 PolarHBondContact O-N 3.4Å; G912-S916 PolarHBondContact O-OG 3.08Å; V913-S916 PolarHBondContact O-N 3.06Å; I914-S916 VanDerWaalsContact C-N 3.33Å; I914-S916 PolarHBondContact O-N 3.23Å; S916-A919 PolarHBondContact O-N 3.2Å; S916-M920 PolarHBondContact O-N 3.41Å; S916-M920 VanDerWaalsContact O-N 3.15Å |
| 917 | F | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 170.8 | -179.7 | -96.9 | 0 | 0 | 0 | 111.8 | Y793 L797 L798 F815 M837 L852 L856 V913 I914 A919 M920 A921 | Y793-F917 HydrophobicContact CD1-CE1 4.49Å; Y793-F917 AromaticContact CD1-CE2 3.63Å; Y793-F917 HydrophobicContact CD1-CE2 3.63Å; Y793-F917 AromaticContact CD1-CZ 3.41Å; Y793-F917 HydrophobicContact CD1-CZ 3.41Å; Y793-F917 VanDerWaalsContact CD1-CZ 3.41Å; Y793-F917 HydrophobicContact CD2-CZ 4.08Å; Y793-F917 AromaticContact CE1-CE2 3.9Å; Y793-F917 HydrophobicContact CE1-CE2 3.9Å; Y793-F917 AromaticContact CE1-CZ 3.84Å; Y793-F917 HydrophobicContact CE1-CZ 3.84Å; Y793-F917 HydrophobicContact CE2-CZ 4.47Å; Y793-F917 HydrophobicContact CG-CE1 4.32Å; Y793-F917 HydrophobicContact CG-CE2 4.25Å; Y793-F917 AromaticContact CG-CZ 3.56Å; Y793-F917 HydrophobicContact CG-CZ 3.56Å; L797-F917 HydrophobicContact CD2-CD2 4.42Å; L798-F917 HydrophobicContact CD1-CD1 3.99Å; L798-F917 HydrophobicContact CD1-CE1 4.46Å; L798-F917 HydrophobicContact CD1-CG 4.24Å; L798-F917 HydrophobicContact CD2-CB 3.73Å; L798-F917 HydrophobicContact CD2-CD2 4.33Å; L798-F917 HydrophobicContact CD2-CG 3.94Å; L798-F917 HydrophobicContact CG-CG 4.48Å; F815-F917 HydrophobicContact CD2-CD2 4.14Å; F815-F917 HydrophobicContact CE2-CB 3.67Å; F815-F917 AromaticContact CE2-CD2 3.77Å; F815-F917 HydrophobicContact CE2-CD2 3.77Å; F815-F917 HydrophobicContact CE2-CG 4.22Å; F815-F917 HydrophobicContact CZ-CB 4Å; M837-F917 HydrophobicContact CE-CE2 3.86Å; M837-F917 HydrophobicContact CE-CZ 4.14Å; M837-F917 HydrophobicContact SD-CE2 4.22Å; M837-F917 HydrophobicContact SD-CZ 4.39Å; L852-F917 HydrophobicContact CD1-CE1 4.45Å; L852-F917 HydrophobicContact CD2-CE1 4.29Å; L856-F917 HydrophobicContact CD1-CD1 3.85Å; L856-F917 HydrophobicContact CD1-CE1 4.12Å; L856-F917 HydrophobicContact CD2-CD1 4.01Å; L856-F917 HydrophobicContact CD2-CE1 4.41Å; V913-F917 PolarHBondContact O-N 3.05Å; I914-F917 PolarHBondContact O-N 2.95Å; F917-A919 VanDerWaalsContact C-N 3.31Å; F917-A919 PolarHBondContact O-N 2.89Å; F917-M920 HydrophobicContact CD2-CE 4.41Å; F917-M920 PolarHBondContact O-N 2.87Å; F917-A921 WeakPolarHBondContact O-CB 3.35Å; F917-A921 PolarHBondContact O-N 3.42Å |
| 918 | R | 95.4 | Very high | 95.5 | Very high | 14 Ų | 14 | 20.1 Ų | 20.1 | 5% | 0.053 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.7 | -43.8 | 174.9 | 174.5 | 172.8 | 164.4 | 65.4 | -6.6 | 111.9 | S853 L856 I914 L915 M920 A921 Q922 D973 | S853-R918 PolarHBondContact OG-NH1 3.1Å; L856-R918 HydrophobicContact CD1-CB 4.16Å; I914-R918 PolarHBondContact O-N 3.41Å; L915-R918 PolarHBondContact O-N 3.23Å; R918-M920 VanDerWaalsContact C-N 3.35Å; R918-M920 PolarHBondContact O-N 3.46Å; R918-A921 PolarHBondContact O-N 3.21Å; R918-Q922 HydrophobicContact CG-CG 4.2Å; R918-Q922 VanDerWaalsContact NH1-NE2 3.13Å; R918-Q922 WeakPolarHBondContact O-CB 3.46Å; R918-Q922 VanDerWaalsContact O-CG 3.26Å; R918-Q922 WeakPolarHBondContact O-CG 3.4Å; R918-Q922 PolarHBondContact O-N 2.9Å; R918-D973 IonicContact CZ-OD1 3.49Å; R918-D973 IonicContact CZ-OD2 2.61Å; R918-D973 VanDerWaalsContact CZ-OD2 3.3Å; R918-D973 IonicContact NE-OD1 3.92Å; R918-D973 IonicContact NE-OD2 2.61Å; R918-D973 PolarHBondContact NE-OD2 3.02Å; R918-D973 VanDerWaalsContact NH2-CG 3.31Å; R918-D973 IonicContact NH2-OD1 2.62Å; R918-D973 PolarHBondContact NH2-OD1 2.95Å; R918-D973 IonicContact NH2-OD2 2.84Å; R918-D973 PolarHBondContact NH2-OD2 3.11Å |
| 919 | A | 94.3 | Very high | 95.4 | Very high | 40 Ų | 40 | 21.4 Ų | 21.4 | 33% | 0.331 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L915 S916 F917 Q922 E923 K1035 | L915-A919 WeakPolarHBondContact O-CB 3.42Å; L915-A919 PolarHBondContact O-N 3.48Å; S916-A919 PolarHBondContact O-N 3.2Å; F917-A919 VanDerWaalsContact C-N 3.31Å; F917-A919 PolarHBondContact O-N 2.89Å; A919-Q922 PolarHBondContact O-N 3.3Å; A919-E923 PolarHBondContact O-N 3.29Å; A919-K1035 HydrophobicContact CB-CD 4.37Å |
| 920 | M | 95.2 | Very high | 95.4 | Very high | 25 Ų | 25 | 22.7 Ų | 22.7 | 12% | 0.123 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | 174.8 | -66.4 | -165.7 | -57.7 | 0 | 0 | 112.6 | F808 F815 M837 S916 F917 R918 Q922 E923 G924 | F808-M920 HydrophobicContact CD2-CE 4.33Å; F808-M920 HydrophobicContact CD2-SD 4.22Å; F808-M920 HydrophobicContact CE2-CE 4.1Å; F808-M920 HydrophobicContact CE2-CG 4.26Å; F808-M920 HydrophobicContact CE2-SD 3.45Å; F808-M920 WeakPolarHBondContact CE2-SD 3.39Å; F808-M920 HydrophobicContact CZ-SD 4.27Å; F815-M920 HydrophobicContact CD2-CE 3.41Å; F815-M920 VanDerWaalsContact CD2-CE 3.41Å; F815-M920 HydrophobicContact CE2-CE 3.37Å; M837-M920 HydrophobicContact CG-CB 4.23Å; S916-M920 PolarHBondContact O-N 3.41Å; S916-M920 VanDerWaalsContact O-N 3.15Å; F917-M920 HydrophobicContact CD2-CE 4.41Å; F917-M920 PolarHBondContact O-N 2.87Å; R918-M920 VanDerWaalsContact C-N 3.35Å; R918-M920 PolarHBondContact O-N 3.46Å; M920-Q922 VanDerWaalsContact C-N 3.32Å; M920-Q922 PolarHBondContact O-N 3.47Å; M920-E923 PolarHBondContact O-N 3.5Å; M920-G924 PolarHBondContact O-N 2.78Å |
| 921 | A | 95.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M837 M849 F917 R918 L925 | M837-A921 HydrophobicContact SD-CB 4.15Å; M849-A921 HydrophobicContact CE-CB 3.64Å; M849-A921 WeakPolarHBondContact CE-O 3.19Å; F917-A921 WeakPolarHBondContact O-CB 3.35Å; F917-A921 PolarHBondContact O-N 3.42Å; R918-A921 PolarHBondContact O-N 3.21Å; A921-L925 PolarHBondContact O-N 3.37Å |
| 922 | Q | 94.8 | Very high | 95.1 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 10% | 0.098 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.2 | -39.1 | 176.8 | -70.9 | -65 | -18.8 | 0 | 0 | 112.4 | S853 R918 A919 M920 L925 R926 S964 G967 | S853-Q922 PolarHBondContact OG-NE2 3.04Å; R918-Q922 HydrophobicContact CG-CG 4.2Å; R918-Q922 VanDerWaalsContact NH1-NE2 3.13Å; R918-Q922 WeakPolarHBondContact O-CB 3.46Å; R918-Q922 VanDerWaalsContact O-CG 3.26Å; R918-Q922 WeakPolarHBondContact O-CG 3.4Å; R918-Q922 PolarHBondContact O-N 2.9Å; A919-Q922 PolarHBondContact O-N 3.3Å; M920-Q922 VanDerWaalsContact C-N 3.32Å; M920-Q922 PolarHBondContact O-N 3.47Å; Q922-L925 WeakPolarHBondContact O-CB 3.31Å; Q922-L925 PolarHBondContact O-N 3.29Å; Q922-R926 WeakPolarHBondContact O-CB 3.46Å; Q922-R926 PolarHBondContact O-N 3.48Å; Q922-S964 PolarHBondContact OE1-O 3.33Å; Q922-G967 WeakPolarHBondContact O-CA 3.44Å; Q922-G967 VanDerWaalsContact OE1-CA 3.28Å |
| 923 | E | 94.8 | Very high | 95.1 | Very high | 85 Ų | 85 | 33.3 Ų | 33.3 | 40% | 0.397 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 174.4 | -168.8 | 61.6 | -148.2 | 0 | 0 | 111.1 | A919 M920 L925 R926 E927 | A919-E923 PolarHBondContact O-N 3.29Å; M920-E923 PolarHBondContact O-N 3.5Å; E923-L925 VanDerWaalsContact C-N 3.32Å; E923-L925 PolarHBondContact O-N 3.25Å; E923-R926 WeakPolarHBondContact O-CB 3.39Å; E923-R926 PolarHBondContact O-N 2.92Å; E923-E927 PolarHBondContact O-N 2.66Å |
| 924 | G | 95.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.3 | -44 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | M920 V928 | M920-G924 PolarHBondContact O-N 2.78Å; G924-V928 VanDerWaalsContact O-CG2 3.31Å; G924-V928 WeakPolarHBondContact O-CG2 3.4Å; G924-V928 PolarHBondContact O-N 3.02Å |
| 925 | L | 96.2 | Very high | 94.8 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 174.7 | 177.8 | 62.5 | 0 | 0 | 0 | 112.3 | A841 P846 M849 A921 Q922 E923 E927 V928 F929 | A841-L925 HydrophobicContact CB-CB 4.16Å; A841-L925 HydrophobicContact CB-CD1 4.32Å; P846-L925 HydrophobicContact CG-CD1 4.45Å; M849-L925 HydrophobicContact CB-CD2 3.93Å; M849-L925 HydrophobicContact CE-CB 4.45Å; M849-L925 HydrophobicContact CG-CD1 4.29Å; M849-L925 HydrophobicContact CG-CD2 4.4Å; A921-L925 PolarHBondContact O-N 3.37Å; Q922-L925 WeakPolarHBondContact O-CB 3.31Å; Q922-L925 PolarHBondContact O-N 3.29Å; E923-L925 VanDerWaalsContact C-N 3.32Å; E923-L925 PolarHBondContact O-N 3.25Å; L925-E927 VanDerWaalsContact C-N 3.33Å; L925-E927 PolarHBondContact O-N 3.32Å; L925-V928 PolarHBondContact O-N 3.45Å; L925-F929 VanDerWaalsContact O-CB 3.23Å; L925-F929 WeakPolarHBondContact O-CB 3.31Å; L925-F929 PolarHBondContact O-N 3.18Å |
| 926 | R | 95.9 | Very high | 94.7 | Very high | 79 Ų | 79 | 49.6 Ų | 49.6 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58 | -47.7 | 179.5 | -170.3 | -175.7 | 177.7 | -171.3 | -0.6 | 111.4 | Q922 E923 F929 S930 M937 E941 G967 | Q922-R926 WeakPolarHBondContact O-CB 3.46Å; Q922-R926 PolarHBondContact O-N 3.48Å; E923-R926 WeakPolarHBondContact O-CB 3.39Å; E923-R926 PolarHBondContact O-N 2.92Å; R926-F929 PolarHBondContact O-N 3.43Å; R926-S930 VanDerWaalsContact O-CB 3.25Å; R926-S930 WeakPolarHBondContact O-CB 3.42Å; R926-S930 PolarHBondContact O-N 3.2Å; R926-S930 PolarHBondContact O-OG 3.36Å; R926-M937 HydrophobicContact CG-CE 3.68Å; R926-E941 IonicContact CZ-OE1 3.31Å; R926-E941 IonicContact NE-OE1 2.69Å; R926-E941 IonicContact NH2-OE1 2.67Å; R926-E941 PolarHBondContact NH2-OE1 3.27Å; R926-G967 WeakPolarHBondContact CB-O 3.26Å |
| 927 | E | 95.3 | Very high | 94.6 | Very high | 72 Ų | 72 | 49.8 Ų | 49.8 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | -179.7 | -72 | -162.5 | -131 | 0 | 0 | 112.2 | R838 E923 L925 S930 S931 | R838-E927 IonicContact CZ-OE1 3.84Å; R838-E927 IonicContact CZ-OE2 2.73Å; R838-E927 IonicContact NE-OE1 2.69Å; R838-E927 PolarHBondContact NE-OE1 3.46Å; R838-E927 IonicContact NE-OE2 3.4Å; R838-E927 PolarHBondContact NE-OE2 3.43Å; R838-E927 IonicContact NH1-OE2 3.75Å; R838-E927 IonicContact NH2-OE1 2.88Å; R838-E927 PolarHBondContact NH2-OE1 3.36Å; R838-E927 IonicContact NH2-OE2 3.87Å; R838-E927 PolarHBondContact NH2-OE2 2.65Å; E923-E927 PolarHBondContact O-N 2.66Å; L925-E927 VanDerWaalsContact C-N 3.33Å; L925-E927 PolarHBondContact O-N 3.32Å; E927-S930 PolarHBondContact O-N 3.4Å; E927-S931 WeakPolarHBondContact O-CB 3.36Å; E927-S931 PolarHBondContact O-N 2.63Å; E927-S931 VanDerWaalsContact O-N 3.08Å |
| 928 | V | 95.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 51.5 Ų | 51.5 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 177 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | R838 A841 E842 G924 L925 S930 S931 H932 | R838-V928 HydrophobicContact CB-CG2 4.16Å; R838-V928 WeakPolarHBondContact O-CG2 3.27Å; A841-V928 HydrophobicContact CB-CB 4.36Å; A841-V928 HydrophobicContact CB-CG2 4.08Å; E842-V928 VanDerWaalsContact CD-CG1 3.47Å; E842-V928 HydrophobicContact CG-CG1 3.9Å; E842-V928 HydrophobicContact CG-CG2 3.76Å; G924-V928 VanDerWaalsContact O-CG2 3.31Å; G924-V928 WeakPolarHBondContact O-CG2 3.4Å; G924-V928 PolarHBondContact O-N 3.02Å; L925-V928 PolarHBondContact O-N 3.45Å; V928-S930 PolarHBondContact O-N 3.47Å; V928-S931 WeakPolarHBondContact O-CB 3.47Å; V928-S931 PolarHBondContact O-N 3.43Å; V928-H932 PolarHBondContact O-CD2 3.5Å; V928-H932 PolarHBondContact O-N 2.91Å |
| 929 | F | 93.7 | Very high | 94.3 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 13% | 0.127 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.3 | -37.5 | -178.9 | -162.2 | -94.9 | 0 | 0 | 0 | 112.1 | P846 L925 R926 S931 H932 C933 L936 M937 I940 A966 | P846-F929 HydrophobicContact CG-CD2 3.92Å; P846-F929 HydrophobicContact CG-CE2 3.88Å; L925-F929 VanDerWaalsContact O-CB 3.23Å; L925-F929 WeakPolarHBondContact O-CB 3.31Å; L925-F929 PolarHBondContact O-N 3.18Å; R926-F929 PolarHBondContact O-N 3.43Å; F929-S931 VanDerWaalsContact C-N 3.31Å; F929-S931 PolarHBondContact O-N 3.15Å; F929-H932 PolarHBondContact O-N 3.15Å; F929-C933 HydrophobicContact CD1-CB 4.17Å; F929-C933 HydrophobicContact CD2-CB 4.45Å; F929-C933 HydrophobicContact CE1-CB 3.89Å; F929-C933 HydrophobicContact CE2-CB 4.19Å; F929-C933 HydrophobicContact CG-CB 4.45Å; F929-C933 HydrophobicContact CZ-CB 3.9Å; F929-C933 CarbonylContact O-C 3.57Å; F929-C933 WeakPolarHBondContact O-CA 3.29Å; F929-C933 WeakPolarHBondContact O-CB 3.38Å; F929-C933 PolarHBondContact O-N 2.92Å; F929-L936 HydrophobicContact CE1-CB 4.13Å; F929-L936 HydrophobicContact CZ-CB 4.36Å; F929-L936 HydrophobicContact CZ-CD1 4.26Å; F929-M937 HydrophobicContact CD1-SD 3.93Å; F929-I940 HydrophobicContact CE1-CD1 4.23Å; F929-A966 HydrophobicContact CD1-CB 3.93Å; F929-A966 HydrophobicContact CE1-CB 3.99Å; F929-A966 HydrophobicContact CG-CB 4.5Å |
| 930 | S | 93.9 | Very high | 94.3 | Very high | 43 Ų | 43 | 53.9 Ų | 53.9 | 30% | 0.301 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 175.1 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | R926 E927 V928 | R926-S930 VanDerWaalsContact O-CB 3.25Å; R926-S930 WeakPolarHBondContact O-CB 3.42Å; R926-S930 PolarHBondContact O-N 3.2Å; R926-S930 PolarHBondContact O-OG 3.36Å; E927-S930 PolarHBondContact O-N 3.4Å; V928-S930 PolarHBondContact O-N 3.47Å |
| 931 | S | 94.1 | Very high | 94.1 | Very high | 91 Ų | 91 | 55.5 Ų | 55.5 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -71.5 | -46.5 | 176.2 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | E927 V928 F929 | E927-S931 WeakPolarHBondContact O-CB 3.36Å; E927-S931 PolarHBondContact O-N 2.63Å; E927-S931 VanDerWaalsContact O-N 3.08Å; V928-S931 WeakPolarHBondContact O-CB 3.47Å; V928-S931 PolarHBondContact O-N 3.43Å; F929-S931 VanDerWaalsContact C-N 3.31Å; F929-S931 PolarHBondContact O-N 3.15Å |
| 932 | H | 93.3 | Very high | 93.9 | Very high | 117 Ų | 117 | 57.9 Ų | 57.9 | 54% | 0.542 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -81.9 | -34.4 | -174.8 | -82.2 | -83.9 | 0 | 0 | 0 | 114.1 | E842 V928 F929 P934 | E842-H932 IonicContact OE1-CD2 2.78Å; E842-H932 IonicContact OE1-NE2 2.81Å; E842-H932 PolarHBondContact OE1-NE2 3.35Å; E842-H932 VanDerWaalsContact OE1-NE2 3.1Å; E842-H932 IonicContact OE2-CD2 3.99Å; E842-H932 IonicContact OE2-CE1 2.59Å; E842-H932 IonicContact OE2-NE2 3.76Å; E842-H932 PolarHBondContact OE2-NE2 3.05Å; V928-H932 PolarHBondContact O-CD2 3.5Å; V928-H932 PolarHBondContact O-N 2.91Å; F929-H932 PolarHBondContact O-N 3.15Å; H932-P934 VanDerWaalsContact C-CD 3.41Å |
| 933 | C | 93.7 | Very high | 93.7 | Very high | 42 Ų | 42 | 60.3 Ų | 60.3 | 28% | 0.284 | 33% | 0.33 | S | S | . | . | trans | -129.1 | 51.7 | -172 | -65.3 | 0 | 0 | 0 | 0 | 112.7 | F929 F935 L936 M937 | F929-C933 HydrophobicContact CD1-CB 4.17Å; F929-C933 HydrophobicContact CD2-CB 4.45Å; F929-C933 HydrophobicContact CE1-CB 3.89Å; F929-C933 HydrophobicContact CE2-CB 4.19Å; F929-C933 HydrophobicContact CG-CB 4.45Å; F929-C933 HydrophobicContact CZ-CB 3.9Å; F929-C933 CarbonylContact O-C 3.57Å; F929-C933 WeakPolarHBondContact O-CA 3.29Å; F929-C933 WeakPolarHBondContact O-CB 3.38Å; F929-C933 PolarHBondContact O-N 2.92Å; C933-F935 PolarHBondContact O-N 3.48Å; C933-F935 VanDerWaalsContact O-N 3.14Å; C933-L936 HydrophobicContact CB-CB 4.3Å; C933-L936 HydrophobicContact CB-CD1 4.24Å; C933-L936 PolarHBondContact O-N 2.72Å; C933-M937 PolarHBondContact O-N 3.18Å; C933-M937 VanDerWaalsContact O-N 3.09Å | ||
| 934 | P | 92.9 | Very high | 93.4 | Very high | 67 Ų | 67 | 58.9 Ų | 58.9 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.7 | -32.8 | -173 | 23.7 | -34.6 | 0 | 0 | 0 | 113.3 | H932 L936 M937 G938 | H932-P934 VanDerWaalsContact C-CD 3.41Å; P934-L936 VanDerWaalsContact C-N 3.32Å; P934-L936 PolarHBondContact O-N 3.38Å; P934-M937 PolarHBondContact O-N 2.66Å; P934-G938 PolarHBondContact O-N 3.12Å |
| 935 | F | 93.9 | Very high | 93 | Very high | 187 Ų | 187 | 66.3 Ų | 66.3 | 82% | 0.82 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -72.9 | -21.2 | 179.2 | -61.3 | -71.6 | 0 | 0 | 0 | 114.1 | C933 P939 | C933-F935 PolarHBondContact O-N 3.48Å; C933-F935 VanDerWaalsContact O-N 3.14Å; F935-P939 WeakPolarHBondContact O-CD 3.37Å; F935-P939 WeakPolarHBondContact O-CG 3.44Å |
| 936 | L | 94.3 | Very high | 92.6 | Very high | 104 Ų | 104 | 73.3 Ų | 73.3 | 55% | 0.545 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -87.7 | -34 | 171.9 | -64.6 | 179.2 | 0 | 0 | 0 | 111 | F929 C933 P934 P939 I940 | F929-L936 HydrophobicContact CE1-CB 4.13Å; F929-L936 HydrophobicContact CZ-CB 4.36Å; F929-L936 HydrophobicContact CZ-CD1 4.26Å; C933-L936 HydrophobicContact CB-CB 4.3Å; C933-L936 HydrophobicContact CB-CD1 4.24Å; C933-L936 PolarHBondContact O-N 2.72Å; P934-L936 VanDerWaalsContact C-N 3.32Å; P934-L936 PolarHBondContact O-N 3.38Å; L936-P939 WeakPolarHBondContact O-CD 3.49Å; L936-I940 HydrophobicContact CB-CD1 4.49Å; L936-I940 WeakPolarHBondContact O-CD1 3.43Å; L936-I940 WeakPolarHBondContact O-CG1 3.24Å; L936-I940 PolarHBondContact O-N 3.48Å |
| 937 | M | 92.7 | Very high | 92 | Very high | 6 Ų | 6 | 71 Ų | 71 | 3% | 0.03 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.1 | -49.6 | -177.1 | -166.2 | 64.2 | -177.1 | 0 | 0 | 112.7 | R926 F929 C933 P934 I940 E941 A966 V968 | R926-M937 HydrophobicContact CG-CE 3.68Å; F929-M937 HydrophobicContact CD1-SD 3.93Å; C933-M937 PolarHBondContact O-N 3.18Å; C933-M937 VanDerWaalsContact O-N 3.09Å; P934-M937 PolarHBondContact O-N 2.66Å; M937-I940 PolarHBondContact O-N 3.48Å; M937-E941 HydrophobicContact CE-CG 3.82Å; M937-E941 WeakPolarHBondContact CE-OE1 3.47Å; M937-E941 HydrophobicContact CG-CG 4.32Å; M937-E941 PolarHBondContact O-N 2.92Å; M937-A966 HydrophobicContact SD-CB 4.31Å; M937-V968 HydrophobicContact CE-CG2 3.34Å; M937-V968 HydrophobicContact SD-CG2 4.31Å |
| 938 | G | 90.8 | Very high | 91.3 | Very high | 37 Ų | 37 | 71 Ų | 71 | 38% | 0.381 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -55.3 | -50.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | P934 I940 E941 C942 | P934-G938 PolarHBondContact O-N 3.12Å; G938-I940 VanDerWaalsContact C-N 3.34Å; G938-I940 PolarHBondContact O-N 3.45Å; G938-E941 PolarHBondContact O-N 3.3Å; G938-C942 VanDerWaalsContact O-CB 3.3Å; G938-C942 WeakPolarHBondContact O-CB 3.48Å; G938-C942 PolarHBondContact O-N 3.42Å |
| 939 | P | 93.7 | Very high | 90.3 | Very high | 85 Ų | 85 | 76.8 Ų | 76.8 | 55% | 0.552 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.1 | -37 | 173.5 | -27.6 | 35.8 | 0 | 0 | 0 | 114.5 | F935 L936 C942 L943 | F935-P939 WeakPolarHBondContact O-CD 3.37Å; F935-P939 WeakPolarHBondContact O-CG 3.44Å; L936-P939 WeakPolarHBondContact O-CD 3.49Å; P939-C942 PolarHBondContact O-N 3.43Å; P939-L943 WeakPolarHBondContact O-CB 3.38Å; P939-L943 PolarHBondContact O-N 2.89Å |
| 940 | I | 93.8 | Very high | 89.4 | Confident | 19 Ų | 19 | 82.8 Ų | 82.8 | 10% | 0.097 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -67.2 | -45.6 | 178.9 | -68.9 | 167.6 | 0 | 0 | 0 | 110.8 | F929 L936 M937 G938 C942 L943 K944 L962 A963 A966 V968 | F929-I940 HydrophobicContact CE1-CD1 4.23Å; L936-I940 HydrophobicContact CB-CD1 4.49Å; L936-I940 WeakPolarHBondContact O-CD1 3.43Å; L936-I940 WeakPolarHBondContact O-CG1 3.24Å; L936-I940 PolarHBondContact O-N 3.48Å; M937-I940 PolarHBondContact O-N 3.48Å; G938-I940 VanDerWaalsContact C-N 3.34Å; G938-I940 PolarHBondContact O-N 3.45Å; I940-C942 VanDerWaalsContact C-N 3.34Å; I940-L943 PolarHBondContact O-N 2.83Å; I940-K944 PolarHBondContact O-N 3.18Å; I940-K944 VanDerWaalsContact O-N 3.13Å; I940-L962 HydrophobicContact CG1-CD2 4.34Å; I940-L962 HydrophobicContact CG1-CG 4.33Å; I940-A963 HydrophobicContact CG2-CB 4.21Å; I940-A966 HydrophobicContact CD1-CB 4.02Å; I940-A966 HydrophobicContact CG2-CB 4.24Å; I940-V968 HydrophobicContact CG2-CG2 4.39Å |
| 941 | E | 91.9 | Very high | 88.9 | Confident | 58 Ų | 58 | 82.6 Ų | 82.6 | 27% | 0.271 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 176 | -69.7 | -175.6 | 141.9 | 0 | 0 | 110.8 | R926 M937 G938 L943 K944 E945 V968 | R926-E941 IonicContact CZ-OE1 3.31Å; R926-E941 IonicContact NE-OE1 2.69Å; R926-E941 IonicContact NH2-OE1 2.67Å; R926-E941 PolarHBondContact NH2-OE1 3.27Å; M937-E941 HydrophobicContact CE-CG 3.82Å; M937-E941 WeakPolarHBondContact CE-OE1 3.47Å; M937-E941 HydrophobicContact CG-CG 4.32Å; M937-E941 PolarHBondContact O-N 2.92Å; G938-E941 PolarHBondContact O-N 3.3Å; E941-L943 PolarHBondContact O-N 3.16Å; E941-K944 WeakPolarHBondContact O-CB 3.44Å; E941-K944 PolarHBondContact O-N 2.94Å; E941-E945 WeakPolarHBondContact O-CG 3.49Å; E941-E945 PolarHBondContact O-N 3.42Å; E941-V968 HydrophobicContact CG-CG2 4.22Å |
| 942 | C | 91 | Very high | 88.6 | Confident | 52 Ų | 52 | 82.8 Ų | 82.8 | 35% | 0.351 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 176.9 | -169.6 | 0 | 0 | 0 | 0 | 112.2 | G938 P939 I940 K944 E945 F946 | G938-C942 VanDerWaalsContact O-CB 3.3Å; G938-C942 WeakPolarHBondContact O-CB 3.48Å; G938-C942 PolarHBondContact O-N 3.42Å; P939-C942 PolarHBondContact O-N 3.43Å; I940-C942 VanDerWaalsContact C-N 3.34Å; C942-K944 VanDerWaalsContact C-N 3.29Å; C942-K944 PolarHBondContact O-N 3.41Å; C942-E945 PolarHBondContact O-N 3.02Å; C942-E945 VanDerWaalsContact O-N 3.16Å; C942-F946 WeakPolarHBondContact O-CD2 3.42Å; C942-F946 PolarHBondContact O-N 2.69Å; C942-F946 WeakPolarHBondContact SG-CE2 3.42Å |
| 943 | L | 89.9 | Confident | 88.3 | Confident | 72 Ų | 72 | 80.1 Ų | 80.1 | 38% | 0.377 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 176.9 | -167.9 | 78 | 0 | 0 | 0 | 111.8 | P939 I940 E941 F946 I959 L962 | P939-L943 WeakPolarHBondContact O-CB 3.38Å; P939-L943 PolarHBondContact O-N 2.89Å; I940-L943 PolarHBondContact O-N 2.83Å; E941-L943 PolarHBondContact O-N 3.16Å; L943-F946 PolarHBondContact O-N 2.95Å; L943-I959 HydrophobicContact CD2-CB 4.37Å; L943-I959 HydrophobicContact CD2-CG1 3.96Å; L943-I959 HydrophobicContact CD2-CG2 3.91Å; L943-I959 HydrophobicContact CG-CD1 4.33Å; L943-I959 HydrophobicContact CG-CG1 4.16Å; L943-I959 HydrophobicContact CG-CG2 3.91Å; L943-L962 HydrophobicContact CD2-CD2 3.97Å |
| 944 | K | 89 | Confident | 88 | Confident | 54 Ų | 54 | 85.9 Ų | 85.9 | 24% | 0.235 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 175.4 | -175.6 | -162.4 | 163.4 | -161.1 | 0 | 111.5 | I940 E941 C942 F946 V947 F960 V968 G969 | I940-K944 PolarHBondContact O-N 3.18Å; I940-K944 VanDerWaalsContact O-N 3.13Å; E941-K944 WeakPolarHBondContact O-CB 3.44Å; E941-K944 PolarHBondContact O-N 2.94Å; C942-K944 VanDerWaalsContact C-N 3.29Å; C942-K944 PolarHBondContact O-N 3.41Å; K944-F946 PolarHBondContact O-N 3.45Å; K944-V947 WeakPolarHBondContact O-CB 3.41Å; K944-V947 WeakPolarHBondContact O-CG2 3.38Å; K944-V947 PolarHBondContact O-N 3.46Å; K944-V947 VanDerWaalsContact O-N 3.1Å; K944-F960 HydrophobicContact CG-CD1 4.34Å; K944-F960 HydrophobicContact CG-CE1 3.99Å; K944-V968 HydrophobicContact CD-CG1 3.58Å; K944-G969 VanDerWaalsContact CE-O 3.27Å; K944-G969 WeakPolarHBondContact CE-O 3.14Å; K944-G969 PolarHBondContact NZ-O 2.71Å |
| 945 | E | 87.9 | Confident | 87.7 | Confident | 159 Ų | 159 | 86.2 Ų | 86.2 | 74% | 0.743 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.9 | -25.3 | 179.1 | -72 | 179.3 | 175.7 | 0 | 0 | 113.4 | E941 C942 V947 | E941-E945 WeakPolarHBondContact O-CG 3.49Å; E941-E945 PolarHBondContact O-N 3.42Å; C942-E945 PolarHBondContact O-N 3.02Å; C942-E945 VanDerWaalsContact O-N 3.16Å; E945-V947 VanDerWaalsContact C-N 3.28Å; E945-V947 PolarHBondContact O-N 3.46Å |
| 946 | F | 86.3 | Confident | 87.5 | Confident | 151 Ų | 151 | 78 Ų | 78 | 66% | 0.662 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -6.7 | 175.4 | -76.7 | -65.9 | 0 | 0 | 0 | 114.6 | C942 L943 K944 T948 | C942-F946 WeakPolarHBondContact O-CD2 3.42Å; C942-F946 PolarHBondContact O-N 2.69Å; C942-F946 WeakPolarHBondContact SG-CE2 3.42Å; L943-F946 PolarHBondContact O-N 2.95Å; K944-F946 PolarHBondContact O-N 3.45Å; F946-T948 PolarHBondContact O-N 3.39Å |
| 947 | V | 84.8 | Confident | 87.3 | Confident | 31 Ų | 31 | 74.7 Ų | 74.7 | 19% | 0.188 | 41% | 0.406 | C | S | . | . | trans | -73 | 116.2 | 177 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | K944 E945 T956 I959 F960 | K944-V947 WeakPolarHBondContact O-CB 3.41Å; K944-V947 WeakPolarHBondContact O-CG2 3.38Å; K944-V947 PolarHBondContact O-N 3.46Å; K944-V947 VanDerWaalsContact O-N 3.1Å; E945-V947 VanDerWaalsContact C-N 3.28Å; E945-V947 PolarHBondContact O-N 3.46Å; V947-T956 HydrophobicContact CG1-CG2 3.75Å; V947-I959 HydrophobicContact CG2-CB 4.23Å; V947-I959 HydrophobicContact CG2-CD1 3.9Å; V947-I959 HydrophobicContact CG2-CG2 3.78Å; V947-F960 HydrophobicContact CB-CE1 4.22Å; V947-F960 HydrophobicContact CG1-CE1 4.14Å; V947-F960 HydrophobicContact CG1-CZ 4.08Å; V947-F960 HydrophobicContact CG2-CE1 3.99Å | ||
| 948 | T | 81 | Confident | 87.2 | Confident | 70 Ų | 70 | 78.1 Ų | 78.1 | 43% | 0.429 | 43% | 0.431 | S | S | . | . | trans | -106.2 | 161 | 174.5 | 64.9 | 0 | 0 | 0 | 0 | 111.2 | F946 D950 T951 | F946-T948 PolarHBondContact O-N 3.39Å; T948-D950 PolarHBondContact O-N 2.87Å; T948-T951 PolarHBondContact N-OG1 3.36Å; T948-T951 VanDerWaalsContact N-OG1 3.08Å; T948-T951 WeakPolarHBondContact O-CB 3.34Å; T948-T951 PolarHBondContact O-N 3.46Å; T948-T951 PolarHBondContact O-OG1 2.88Å; T948-T951 PolarHBondContact OG1-OG1 3.08Å; T948-T951 VanDerWaalsContact OG1-OG1 3.1Å | ||
| 949 | P | 72.7 | Confident | 87.3 | Confident | 138 Ų | 138 | 77.7 Ų | 77.7 | 90% | 0.896 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -22.9 | 175.2 | -26.5 | 35.6 | 0 | 0 | 0 | 114.8 | T951 | P949-T951 VanDerWaalsContact C-N 3.34Š|
| 950 | D | 76.8 | Confident | 87.3 | Confident | 156 Ų | 156 | 74 Ų | 74 | 83% | 0.834 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -4.1 | 178.2 | -59.7 | -45.7 | 0 | 0 | 0 | 113.4 | T948 | T948-D950 PolarHBondContact O-N 2.87Š|
| 951 | T | 83.1 | Confident | 87.3 | Confident | 39 Ų | 39 | 77.5 Ų | 77.5 | 24% | 0.239 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -72.1 | 137.2 | -179.5 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | T948 P949 I953 V955 T956 | T948-T951 PolarHBondContact N-OG1 3.36Å; T948-T951 VanDerWaalsContact N-OG1 3.08Å; T948-T951 WeakPolarHBondContact O-CB 3.34Å; T948-T951 PolarHBondContact O-N 3.46Å; T948-T951 PolarHBondContact O-OG1 2.88Å; T948-T951 PolarHBondContact OG1-OG1 3.08Å; T948-T951 VanDerWaalsContact OG1-OG1 3.1Å; P949-T951 VanDerWaalsContact C-N 3.34Å; T951-I953 PolarHBondContact O-N 3.25Å; T951-V955 HydrophobicContact CG2-CB 4.31Å; T951-V955 HydrophobicContact CG2-CG1 4.18Å; T951-T956 WeakPolarHBondContact CG2-OG1 3.25Å |
| 952 | D | 87.6 | Confident | 87.4 | Confident | 95 Ų | 95 | 78.8 Ų | 78.8 | 51% | 0.508 | 42% | 0.419 | S | S | . | . | trans | -53.4 | 132.7 | 177.9 | 177 | -91.2 | 0 | 0 | 0 | 111.6 | K954 V955 T956 | D952-K954 VanDerWaalsContact C-N 3.25Å; D952-K954 PolarHBondContact O-N 2.89Å; D952-K954 WeakPolarHBondContact OD1-CA 3.27Å; D952-K954 VanDerWaalsContact OD1-CB 3.25Å; D952-K954 WeakPolarHBondContact OD1-CB 3.33Å; D952-K954 PolarHBondContact OD1-N 3.32Å; D952-V955 HydrophobicContact CB-CB 4.28Å; D952-V955 HydrophobicContact CB-CG2 4.02Å; D952-V955 WeakPolarHBondContact O-CB 3.49Å; D952-V955 PolarHBondContact O-N 2.81Å; D952-V955 PolarHBondContact OD1-N 3.06Å; D952-T956 PolarHBondContact O-N 3.39Å; D952-T956 PolarHBondContact O-OG1 3.38Å | ||
| 953 | I | 86.1 | Confident | 87.5 | Confident | 60 Ų | 60 | 76.3 Ų | 76.3 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.3 | -37.2 | -174 | -66.6 | 174.5 | 0 | 0 | 0 | 111.7 | T951 T956 L957 T1046 N1049 | T951-I953 PolarHBondContact O-N 3.25Å; I953-T956 PolarHBondContact O-N 2.58Å; I953-L957 HydrophobicContact CG2-CD1 3.9Å; I953-L957 HydrophobicContact CG2-CG 4.29Å; I953-L957 WeakPolarHBondContact O-CB 3.44Å; I953-L957 VanDerWaalsContact O-CG 3.24Å; I953-L957 WeakPolarHBondContact O-CG 3.45Å; I953-L957 PolarHBondContact O-N 2.98Å; I953-T1046 HydrophobicContact CG2-CG2 3.76Å; I953-N1049 HydrophobicContact CD1-CB 4.41Å; I953-N1049 WeakPolarHBondContact CD1-OD1 3.48Å |
| 954 | K | 86.8 | Confident | 87.7 | Confident | 164 Ų | 164 | 73.7 Ų | 73.7 | 71% | 0.713 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.4 | -42.4 | 179.1 | -62.1 | -179.3 | 176.8 | 179.3 | 0 | 110.6 | D952 L957 S958 | D952-K954 VanDerWaalsContact C-N 3.25Å; D952-K954 PolarHBondContact O-N 2.89Å; D952-K954 WeakPolarHBondContact OD1-CA 3.27Å; D952-K954 VanDerWaalsContact OD1-CB 3.25Å; D952-K954 WeakPolarHBondContact OD1-CB 3.33Å; D952-K954 PolarHBondContact OD1-N 3.32Å; K954-L957 PolarHBondContact O-N 2.76Å; K954-S958 PolarHBondContact O-N 2.79Å; K954-S958 PolarHBondContact O-OG 2.81Å; K954-S958 VanDerWaalsContact O-OG 3.12Å |
| 955 | V | 88.6 | Confident | 87.9 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.5 | -46 | 175.9 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | T951 D952 L957 S958 I959 | T951-V955 HydrophobicContact CG2-CB 4.31Å; T951-V955 HydrophobicContact CG2-CG1 4.18Å; D952-V955 HydrophobicContact CB-CB 4.28Å; D952-V955 HydrophobicContact CB-CG2 4.02Å; D952-V955 WeakPolarHBondContact O-CB 3.49Å; D952-V955 PolarHBondContact O-N 2.81Å; D952-V955 PolarHBondContact OD1-N 3.06Å; V955-L957 PolarHBondContact O-N 3.49Å; V955-S958 PolarHBondContact O-N 3.2Å; V955-I959 HydrophobicContact CG1-CD1 3.97Å; V955-I959 WeakPolarHBondContact O-CG1 3.31Å; V955-I959 PolarHBondContact O-N 2.87Å |
| 956 | T | 88.4 | Confident | 88.2 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 8% | 0.08 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.1 | -48.1 | 175.2 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | V947 T951 D952 I953 S958 I959 F960 | V947-T956 HydrophobicContact CG1-CG2 3.75Å; T951-T956 WeakPolarHBondContact CG2-OG1 3.25Å; D952-T956 PolarHBondContact O-N 3.39Å; D952-T956 PolarHBondContact O-OG1 3.38Å; I953-T956 PolarHBondContact O-N 2.58Å; T956-S958 PolarHBondContact O-N 3.18Å; T956-I959 PolarHBondContact O-N 3.04Å; T956-F960 HydrophobicContact CG2-CD2 3.95Å; T956-F960 HydrophobicContact CG2-CE1 4.41Å; T956-F960 HydrophobicContact CG2-CE2 3.68Å; T956-F960 HydrophobicContact CG2-CG 4.43Å; T956-F960 HydrophobicContact CG2-CZ 3.94Å; T956-F960 WeakPolarHBondContact O-CB 3.27Å; T956-F960 WeakPolarHBondContact O-CG 3.31Å; T956-F960 PolarHBondContact O-N 3.29Å |
| 957 | L | 90.4 | Very high | 88.5 | Confident | 36 Ų | 36 | 58.1 Ų | 58.1 | 19% | 0.188 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65 | -36 | 178.8 | -71.2 | 172.8 | 0 | 0 | 0 | 112.6 | I953 K954 V955 F960 E961 I972 P974 V977 T1046 | I953-L957 HydrophobicContact CG2-CD1 3.9Å; I953-L957 HydrophobicContact CG2-CG 4.29Å; I953-L957 WeakPolarHBondContact O-CB 3.44Å; I953-L957 VanDerWaalsContact O-CG 3.24Å; I953-L957 WeakPolarHBondContact O-CG 3.45Å; I953-L957 PolarHBondContact O-N 2.98Å; K954-L957 PolarHBondContact O-N 2.76Å; V955-L957 PolarHBondContact O-N 3.49Å; L957-F960 PolarHBondContact O-N 2.9Å; L957-E961 WeakPolarHBondContact O-CB 3.46Å; L957-E961 PolarHBondContact O-N 3.2Å; L957-I972 HydrophobicContact CD2-CG2 4.15Å; L957-P974 HydrophobicContact CD2-CB 4.36Å; L957-V977 HydrophobicContact CD1-CG1 3.99Å; L957-V977 HydrophobicContact CD2-CB 4.3Å; L957-V977 HydrophobicContact CD2-CG1 4.27Å; L957-V977 HydrophobicContact CD2-CG2 4.19Å; L957-T1046 HydrophobicContact CD2-CG2 4.49Å |
| 958 | S | 91.6 | Very high | 88.9 | Confident | 77 Ų | 77 | 57 Ų | 57 | 54% | 0.538 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 174.7 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | K954 V955 T956 E961 L962 | K954-S958 PolarHBondContact O-N 2.79Å; K954-S958 PolarHBondContact O-OG 2.81Å; K954-S958 VanDerWaalsContact O-OG 3.12Å; V955-S958 PolarHBondContact O-N 3.2Å; T956-S958 PolarHBondContact O-N 3.18Å; S958-E961 PolarHBondContact O-N 3.16Å; S958-L962 PolarHBondContact O-N 3.12Å |
| 959 | I | 92.9 | Very high | 89.2 | Confident | 28 Ų | 28 | 56 Ų | 56 | 14% | 0.144 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 175.1 | -67.5 | 170.4 | 0 | 0 | 0 | 110.1 | L943 V947 V955 T956 E961 L962 A963 | L943-I959 HydrophobicContact CD2-CB 4.37Å; L943-I959 HydrophobicContact CD2-CG1 3.96Å; L943-I959 HydrophobicContact CD2-CG2 3.91Å; L943-I959 HydrophobicContact CG-CD1 4.33Å; L943-I959 HydrophobicContact CG-CG1 4.16Å; L943-I959 HydrophobicContact CG-CG2 3.91Å; V947-I959 HydrophobicContact CG2-CB 4.23Å; V947-I959 HydrophobicContact CG2-CD1 3.9Å; V947-I959 HydrophobicContact CG2-CG2 3.78Å; V955-I959 HydrophobicContact CG1-CD1 3.97Å; V955-I959 WeakPolarHBondContact O-CG1 3.31Å; V955-I959 PolarHBondContact O-N 2.87Å; T956-I959 PolarHBondContact O-N 3.04Å; I959-E961 VanDerWaalsContact C-N 3.35Å; I959-E961 PolarHBondContact O-N 3.16Å; I959-L962 PolarHBondContact O-N 3.06Å; I959-A963 WeakPolarHBondContact O-CB 3.38Å; I959-A963 PolarHBondContact O-N 3.29Å |
| 960 | F | 93.5 | Very high | 90.1 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.3 | -33.5 | 177.6 | -72.4 | -2 | 0 | 0 | 0 | 112.4 | K944 V947 T956 L957 A963 S964 C970 I972 P974 | K944-F960 HydrophobicContact CG-CD1 4.34Å; K944-F960 HydrophobicContact CG-CE1 3.99Å; V947-F960 HydrophobicContact CB-CE1 4.22Å; V947-F960 HydrophobicContact CG1-CE1 4.14Å; V947-F960 HydrophobicContact CG1-CZ 4.08Å; V947-F960 HydrophobicContact CG2-CE1 3.99Å; T956-F960 HydrophobicContact CG2-CD2 3.95Å; T956-F960 HydrophobicContact CG2-CE1 4.41Å; T956-F960 HydrophobicContact CG2-CE2 3.68Å; T956-F960 HydrophobicContact CG2-CG 4.43Å; T956-F960 HydrophobicContact CG2-CZ 3.94Å; T956-F960 WeakPolarHBondContact O-CB 3.27Å; T956-F960 WeakPolarHBondContact O-CG 3.31Å; T956-F960 PolarHBondContact O-N 3.29Å; L957-F960 PolarHBondContact O-N 2.9Å; F960-A963 PolarHBondContact O-N 2.91Å; F960-S964 VanDerWaalsContact O-CB 3.23Å; F960-S964 WeakPolarHBondContact O-CB 3.47Å; F960-S964 PolarHBondContact O-N 3.43Å; F960-S964 PolarHBondContact O-OG 3.46Å; F960-S964 VanDerWaalsContact O-OG 3.09Å; F960-C970 HydrophobicContact CB-CB 4.17Å; F960-C970 HydrophobicContact CD1-CB 4.34Å; F960-C970 HydrophobicContact CD2-CB 3.97Å; F960-C970 HydrophobicContact CE2-CB 4.41Å; F960-C970 HydrophobicContact CG-CB 3.92Å; F960-I972 HydrophobicContact CD2-CB 4.1Å; F960-I972 WeakPolarHBondContact CD2-O 3.35Å; F960-I972 HydrophobicContact CE2-CB 4.06Å; F960-I972 HydrophobicContact CE2-CD1 4.44Å; F960-I972 HydrophobicContact CE2-CG1 4.44Å; F960-P974 HydrophobicContact CB-CB 4.42Å; F960-P974 HydrophobicContact CB-CG 4.17Å |
| 961 | E | 93.8 | Very high | 90.5 | Very high | 94 Ų | 94 | 46.2 Ų | 46.2 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 173.4 | -171.9 | 179.5 | 177.1 | 0 | 0 | 110.3 | K850 L957 S958 I959 S964 A965 P974 | K850-E961 IonicContact NZ-OE1 3.52Å; K850-E961 PolarHBondContact NZ-OE1 3.43Å; L957-E961 WeakPolarHBondContact O-CB 3.46Å; L957-E961 PolarHBondContact O-N 3.2Å; S958-E961 PolarHBondContact O-N 3.16Å; I959-E961 VanDerWaalsContact C-N 3.35Å; I959-E961 PolarHBondContact O-N 3.16Å; E961-S964 PolarHBondContact O-N 2.82Å; E961-S964 PolarHBondContact O-OG 3.41Å; E961-A965 WeakPolarHBondContact O-CB 3.16Å; E961-A965 PolarHBondContact O-N 2.81Å; E961-P974 HydrophobicContact CB-CB 4.28Å; E961-P974 HydrophobicContact CB-CG 4.37Å |
| 962 | L | 93.6 | Very high | 90.9 | Very high | 84 Ų | 84 | 45.4 Ų | 45.4 | 44% | 0.44 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 175.1 | 178.5 | 64.6 | 0 | 0 | 0 | 112.1 | I940 L943 S958 I959 A965 A966 | I940-L962 HydrophobicContact CG1-CD2 4.34Å; I940-L962 HydrophobicContact CG1-CG 4.33Å; L943-L962 HydrophobicContact CD2-CD2 3.97Å; S958-L962 PolarHBondContact O-N 3.12Å; I959-L962 PolarHBondContact O-N 3.06Å; L962-A965 PolarHBondContact O-N 3.22Å; L962-A966 PolarHBondContact O-N 3.22Å |
| 963 | A | 93.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I940 I959 F960 A965 A966 G967 V968 | I940-A963 HydrophobicContact CG2-CB 4.21Å; I959-A963 WeakPolarHBondContact O-CB 3.38Å; I959-A963 PolarHBondContact O-N 3.29Å; F960-A963 PolarHBondContact O-N 2.91Å; A963-A965 VanDerWaalsContact C-N 3.33Å; A963-A965 PolarHBondContact O-N 3.33Å; A963-A966 CarbonylContact O-C 3.54Å; A963-A966 PolarHBondContact O-N 3.11Å; A963-A966 VanDerWaalsContact O-N 3.08Å; A963-G967 PolarHBondContact O-N 3.1Å; A963-V968 HydrophobicContact CB-CB 4.03Å; A963-V968 HydrophobicContact CB-CG1 4.44Å; A963-V968 VanDerWaalsContact O-CB 3.32Å; A963-V968 WeakPolarHBondContact O-CB 3.21Å; A963-V968 PolarHBondContact O-N 2.84Å |
| 964 | S | 93.6 | Very high | 91.4 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.4 | -32.4 | 177.1 | 73.5 | 0 | 0 | 0 | 0 | 112.8 | Q922 F960 E961 A966 G967 | Q922-S964 PolarHBondContact OE1-O 3.33Å; F960-S964 VanDerWaalsContact O-CB 3.23Å; F960-S964 WeakPolarHBondContact O-CB 3.47Å; F960-S964 PolarHBondContact O-N 3.43Å; F960-S964 PolarHBondContact O-OG 3.46Å; F960-S964 VanDerWaalsContact O-OG 3.09Å; E961-S964 PolarHBondContact O-N 2.82Å; E961-S964 PolarHBondContact O-OG 3.41Å; S964-A966 PolarHBondContact O-N 3.18Å; S964-G967 PolarHBondContact O-N 3.08Å |
| 965 | A | 93.1 | Very high | 91.7 | Very high | 34 Ų | 34 | 32.7 Ų | 32.7 | 28% | 0.281 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.7 | -20.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E961 L962 A963 | E961-A965 WeakPolarHBondContact O-CB 3.16Å; E961-A965 PolarHBondContact O-N 2.81Å; L962-A965 PolarHBondContact O-N 3.22Å; A963-A965 VanDerWaalsContact C-N 3.33Å; A963-A965 PolarHBondContact O-N 3.33Å |
| 966 | A | 93.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 2% | 0.017 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 8.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F929 M937 I940 L962 A963 S964 V968 | F929-A966 HydrophobicContact CD1-CB 3.93Å; F929-A966 HydrophobicContact CE1-CB 3.99Å; F929-A966 HydrophobicContact CG-CB 4.5Å; M937-A966 HydrophobicContact SD-CB 4.31Å; I940-A966 HydrophobicContact CD1-CB 4.02Å; I940-A966 HydrophobicContact CG2-CB 4.24Å; L962-A966 PolarHBondContact O-N 3.22Å; A963-A966 CarbonylContact O-C 3.54Å; A963-A966 PolarHBondContact O-N 3.11Å; A963-A966 VanDerWaalsContact O-N 3.08Å; S964-A966 PolarHBondContact O-N 3.18Å; A966-V968 VanDerWaalsContact C-N 3.34Å |
| 967 | G | 93 | Very high | 92.1 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | -1.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q922 R926 A963 S964 G969 | Q922-G967 WeakPolarHBondContact O-CA 3.44Å; Q922-G967 VanDerWaalsContact OE1-CA 3.28Å; R926-G967 WeakPolarHBondContact CB-O 3.26Å; A963-G967 PolarHBondContact O-N 3.1Å; S964-G967 PolarHBondContact O-N 3.08Å; G967-G969 PolarHBondContact O-N 3.44Å |
| 968 | V | 92.5 | Very high | 92.2 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | trans | -73.9 | 120.2 | -177.3 | -175 | 0 | 0 | 0 | 0 | 110 | M937 I940 E941 K944 A963 A966 C970 | M937-V968 HydrophobicContact CE-CG2 3.34Å; M937-V968 HydrophobicContact SD-CG2 4.31Å; I940-V968 HydrophobicContact CG2-CG2 4.39Å; E941-V968 HydrophobicContact CG-CG2 4.22Å; K944-V968 HydrophobicContact CD-CG1 3.58Å; A963-V968 HydrophobicContact CB-CB 4.03Å; A963-V968 HydrophobicContact CB-CG1 4.44Å; A963-V968 VanDerWaalsContact O-CB 3.32Å; A963-V968 WeakPolarHBondContact O-CB 3.21Å; A963-V968 PolarHBondContact O-N 2.84Å; A966-V968 VanDerWaalsContact C-N 3.34Å; V968-C970 PolarHBondContact O-N 3.22Å; V968-C970 PolarHBondContact O-SG 2.89Å; V968-C970 VanDerWaalsContact O-SG 3.32Å | ||
| 969 | G | 88.3 | Confident | 92.1 | Very high | 50 Ų | 50 | 27 Ų | 27 | 52% | 0.515 | 17% | 0.174 | S | C | . | . | trans | -58.9 | 133.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | K944 G967 | K944-G969 VanDerWaalsContact CE-O 3.27Å; K944-G969 WeakPolarHBondContact CE-O 3.14Å; K944-G969 PolarHBondContact NZ-O 2.71Å; G967-G969 PolarHBondContact O-N 3.44Å | ||
| 970 | C | 90.3 | Very high | 92 | Very high | 19 Ų | 19 | 25.8 Ų | 25.8 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | trans | -118.3 | 146.6 | -178.7 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | F960 V968 I972 | F960-C970 HydrophobicContact CB-CB 4.17Å; F960-C970 HydrophobicContact CD1-CB 4.34Å; F960-C970 HydrophobicContact CD2-CB 3.97Å; F960-C970 HydrophobicContact CE2-CB 4.41Å; F960-C970 HydrophobicContact CG-CB 3.92Å; V968-C970 PolarHBondContact O-N 3.22Å; V968-C970 PolarHBondContact O-SG 2.89Å; V968-C970 VanDerWaalsContact O-SG 3.32Å; C970-I972 WeakPolarHBondContact CB-O 3.35Å; C970-I972 PolarHBondContact O-N 3.32Å | ||
| 971 | D | 86.8 | Confident | 91.7 | Very high | 68 Ų | 68 | 27 Ų | 27 | 36% | 0.364 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -64.5 | -30.5 | 177.9 | -62.3 | -60.1 | 0 | 0 | 0 | 112.3 | S1097 F1098 | D971-S1097 WeakPolarHBondContact OD1-CB 3.41Å; D971-S1097 PolarHBondContact OD1-OG 2.89Å; D971-F1098 HydrophobicContact CB-CZ 4.23Å |
| 972 | I | 90.3 | Very high | 91.2 | Very high | 22 Ų | 22 | 29.2 Ų | 29.2 | 11% | 0.113 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -120.7 | 121.6 | 173.1 | -58.3 | 162.8 | 0 | 0 | 0 | 107.1 | L957 F960 C970 P974 V977 A1042 T1046 I1052 | L957-I972 HydrophobicContact CD2-CG2 4.15Å; F960-I972 HydrophobicContact CD2-CB 4.1Å; F960-I972 WeakPolarHBondContact CD2-O 3.35Å; F960-I972 HydrophobicContact CE2-CB 4.06Å; F960-I972 HydrophobicContact CE2-CD1 4.44Å; F960-I972 HydrophobicContact CE2-CG1 4.44Å; C970-I972 WeakPolarHBondContact CB-O 3.35Å; C970-I972 PolarHBondContact O-N 3.32Å; I972-P974 VanDerWaalsContact O-CD 3.22Å; I972-P974 WeakPolarHBondContact O-CD 3.37Å; I972-V977 HydrophobicContact CG2-CG2 3.69Å; I972-A1042 HydrophobicContact CG1-CB 4.49Å; I972-T1046 HydrophobicContact CD1-CG2 4.36Å; I972-T1046 WeakPolarHBondContact CD1-OG1 3.42Å; I972-T1046 HydrophobicContact CG2-CG2 4.26Å; I972-I1052 HydrophobicContact CD1-CD1 4.02Å; I972-I1052 HydrophobicContact CG1-CD1 4.06Å |
| 973 | D | 92.3 | Very high | 90.4 | Very high | 15 Ų | 15 | 28 Ų | 28 | 8% | 0.08 | 19% | 0.188 | C | C | . | . | trans | -75.9 | 110.6 | 176.5 | -171.7 | -24.2 | 0 | 0 | 0 | 110.8 | R918 A975 L976 V977 | R918-D973 IonicContact CZ-OD1 3.49Å; R918-D973 IonicContact CZ-OD2 2.61Å; R918-D973 VanDerWaalsContact CZ-OD2 3.3Å; R918-D973 IonicContact NE-OD1 3.92Å; R918-D973 IonicContact NE-OD2 2.61Å; R918-D973 PolarHBondContact NE-OD2 3.02Å; R918-D973 VanDerWaalsContact NH2-CG 3.31Å; R918-D973 IonicContact NH2-OD1 2.62Å; R918-D973 PolarHBondContact NH2-OD1 2.95Å; R918-D973 IonicContact NH2-OD2 2.84Å; R918-D973 PolarHBondContact NH2-OD2 3.11Å; D973-A975 VanDerWaalsContact C-N 3.31Å; D973-A975 PolarHBondContact O-N 3.28Å; D973-A975 WeakPolarHBondContact OD1-CB 3.44Å; D973-A975 PolarHBondContact OD1-N 3.41Å; D973-L976 HydrophobicContact CB-CB 3.91Å; D973-L976 PolarHBondContact O-N 3.06Å; D973-L976 PolarHBondContact OD1-N 2.81Å; D973-V977 WeakPolarHBondContact O-CG2 3.31Å; D973-V977 PolarHBondContact O-N 3.48Å | ||
| 974 | P | 92.5 | Very high | 89 | Confident | 12 Ų | 12 | 33 Ų | 33 | 8% | 0.078 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.9 | -32.2 | -177.3 | 29.7 | -36.9 | 0 | 0 | 0 | 112.3 | L957 F960 E961 I972 V977 A978 | L957-P974 HydrophobicContact CD2-CB 4.36Å; F960-P974 HydrophobicContact CB-CB 4.42Å; F960-P974 HydrophobicContact CB-CG 4.17Å; E961-P974 HydrophobicContact CB-CB 4.28Å; E961-P974 HydrophobicContact CB-CG 4.37Å; I972-P974 VanDerWaalsContact O-CD 3.22Å; I972-P974 WeakPolarHBondContact O-CD 3.37Å; P974-V977 PolarHBondContact O-N 3.44Å; P974-A978 WeakPolarHBondContact O-CB 3.43Å; P974-A978 PolarHBondContact O-N 2.85Å |
| 975 | A | 92.2 | Very high | 87 | Confident | 26 Ų | 26 | 35.4 Ų | 35.4 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.8 | -37.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | M857 D973 A979 | M857-A975 HydrophobicContact CG-CB 3.97Å; D973-A975 VanDerWaalsContact C-N 3.31Å; D973-A975 PolarHBondContact O-N 3.28Å; D973-A975 WeakPolarHBondContact OD1-CB 3.44Å; D973-A975 PolarHBondContact OD1-N 3.41Å; A975-A979 VanDerWaalsContact O-CB 3.24Å; A975-A979 WeakPolarHBondContact O-CB 3.42Å; A975-A979 PolarHBondContact O-N 3.34Å |
| 976 | L | 93.4 | Very high | 85 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 175 | -174.9 | 57.6 | 0 | 0 | 0 | 111.6 | M857 V860 I864 D973 A978 A979 I980 Q1039 A1043 | M857-L976 HydrophobicContact SD-CB 3.74Å; M857-L976 HydrophobicContact SD-CD1 3.85Å; M857-L976 HydrophobicContact SD-CG 4.34Å; V860-L976 HydrophobicContact CB-CD1 4.46Å; V860-L976 HydrophobicContact CG1-CD1 3.62Å; I864-L976 HydrophobicContact CD1-CD1 4.42Å; D973-L976 HydrophobicContact CB-CB 3.91Å; D973-L976 PolarHBondContact O-N 3.06Å; D973-L976 PolarHBondContact OD1-N 2.81Å; L976-A978 PolarHBondContact O-N 3.1Å; L976-A979 PolarHBondContact O-N 3.31Å; L976-I980 HydrophobicContact CD1-CD1 3.89Å; L976-I980 HydrophobicContact CD1-CG1 4.14Å; L976-I980 HydrophobicContact CG-CD1 3.9Å; L976-I980 VanDerWaalsContact O-CG1 3.29Å; L976-I980 WeakPolarHBondContact O-CG1 3.42Å; L976-I980 PolarHBondContact O-N 2.89Å; L976-Q1039 HydrophobicContact CD2-CB 4.28Å; L976-A1043 HydrophobicContact CB-CB 4.28Å; L976-A1043 HydrophobicContact CD2-CB 3.8Å; L976-A1043 HydrophobicContact CG-CB 3.73Å |
| 977 | V | 92.9 | Very high | 83.1 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 175 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | L957 I972 D973 P974 I980 A981 A1043 | L957-V977 HydrophobicContact CD1-CG1 3.99Å; L957-V977 HydrophobicContact CD2-CB 4.3Å; L957-V977 HydrophobicContact CD2-CG1 4.27Å; L957-V977 HydrophobicContact CD2-CG2 4.19Å; I972-V977 HydrophobicContact CG2-CG2 3.69Å; D973-V977 WeakPolarHBondContact O-CG2 3.31Å; D973-V977 PolarHBondContact O-N 3.48Å; P974-V977 PolarHBondContact O-N 3.44Å; V977-I980 PolarHBondContact O-N 3.49Å; V977-A981 VanDerWaalsContact O-CB 3.3Å; V977-A981 WeakPolarHBondContact O-CB 3.39Å; V977-A981 PolarHBondContact O-N 2.77Å; V977-A1043 HydrophobicContact CG2-CB 3.81Å |
| 978 | A | 91.4 | Very high | 81.7 | Confident | 48 Ų | 48 | 51.1 Ų | 51.1 | 40% | 0.397 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P974 L976 I980 A981 N982 | P974-A978 WeakPolarHBondContact O-CB 3.43Å; P974-A978 PolarHBondContact O-N 2.85Å; L976-A978 PolarHBondContact O-N 3.1Å; A978-I980 PolarHBondContact O-N 3.31Å; A978-A981 PolarHBondContact O-N 2.92Å; A978-N982 VanDerWaalsContact O-CG 3.3Å; A978-N982 PolarHBondContact O-N 3.44Å; A978-N982 PolarHBondContact O-ND2 3.02Å |
| 979 | A | 90.9 | Very high | 81 | Confident | 21 Ų | 21 | 53 Ų | 53 | 17% | 0.174 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.1 | -40 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | M857 A975 L976 | M857-A979 HydrophobicContact CB-CB 3.78Å; A975-A979 VanDerWaalsContact O-CB 3.24Å; A975-A979 WeakPolarHBondContact O-CB 3.42Å; A975-A979 PolarHBondContact O-N 3.34Å; L976-A979 PolarHBondContact O-N 3.31Å |
| 980 | I | 90 | Very high | 80.6 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.015 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.7 | -36.9 | 175.8 | -62.4 | 169.4 | 0 | 0 | 0 | 110.9 | I864 L976 V977 A978 N982 L983 A1043 L1044 L1047 | I864-I980 HydrophobicContact CD1-CD1 3.68Å; I864-I980 HydrophobicContact CD1-CG1 3.95Å; L976-I980 HydrophobicContact CD1-CD1 3.89Å; L976-I980 HydrophobicContact CD1-CG1 4.14Å; L976-I980 HydrophobicContact CG-CD1 3.9Å; L976-I980 VanDerWaalsContact O-CG1 3.29Å; L976-I980 WeakPolarHBondContact O-CG1 3.42Å; L976-I980 PolarHBondContact O-N 2.89Å; V977-I980 PolarHBondContact O-N 3.49Å; A978-I980 PolarHBondContact O-N 3.31Å; I980-N982 VanDerWaalsContact C-N 3.28Å; I980-N982 PolarHBondContact O-N 3.47Å; I980-L983 WeakPolarHBondContact O-CB 3.33Å; I980-L983 PolarHBondContact O-N 2.92Å; I980-A1043 HydrophobicContact CD1-CB 3.89Å; I980-L1044 HydrophobicContact CD1-CD2 4.35Å; I980-L1044 HydrophobicContact CG2-CD2 3.97Å; I980-L1047 HydrophobicContact CG2-CD2 3.82Å |
| 981 | A | 87.1 | Confident | 80.3 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 26% | 0.264 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | V977 A978 L983 K984 L1047 | V977-A981 VanDerWaalsContact O-CB 3.3Å; V977-A981 WeakPolarHBondContact O-CB 3.39Å; V977-A981 PolarHBondContact O-N 2.77Å; A978-A981 PolarHBondContact O-N 2.92Å; A981-L983 PolarHBondContact O-N 3.14Å; A981-K984 WeakPolarHBondContact O-CG 3.26Å; A981-K984 PolarHBondContact O-N 3.42Å; A981-L1047 HydrophobicContact CB-CD1 3.74Å |
| 982 | N | 83.9 | Confident | 80.2 | Confident | 141 Ų | 141 | 64.4 Ų | 64.4 | 75% | 0.754 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -11.2 | 178.6 | -70.8 | -19.1 | 0 | 0 | 0 | 114.1 | A978 I980 K984 | A978-N982 VanDerWaalsContact O-CG 3.3Å; A978-N982 PolarHBondContact O-N 3.44Å; A978-N982 PolarHBondContact O-ND2 3.02Å; I980-N982 VanDerWaalsContact C-N 3.28Å; I980-N982 PolarHBondContact O-N 3.47Å; N982-K984 VanDerWaalsContact C-N 3.33Å |
| 983 | L | 76.1 | Confident | 80 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -9.3 | 175 | -73.4 | 169.6 | 0 | 0 | 0 | 114.5 | T861 V865 I980 A981 A985 | T861-L983 HydrophobicContact CG2-CD1 3.25Å; T861-L983 HydrophobicContact CG2-CD2 3.33Å; T861-L983 HydrophobicContact CG2-CG 3.38Å; V865-L983 HydrophobicContact CG2-CD1 3.99Å; V865-L983 HydrophobicContact CG2-CD2 3.93Å; I980-L983 WeakPolarHBondContact O-CB 3.33Å; I980-L983 PolarHBondContact O-N 2.92Å; A981-L983 PolarHBondContact O-N 3.14Å; L983-A985 PolarHBondContact O-N 3.25Å |
| 984 | K | 65.6 | Low | 80 | Confident | 107 Ų | 107 | 66.5 Ų | 66.5 | 47% | 0.465 | 38% | 0.383 | S | S | . | . | trans | -61.4 | 99.7 | -177.8 | -74.5 | -176.1 | 177.2 | -178.3 | 0 | 109.7 | A981 N982 | A981-K984 WeakPolarHBondContact O-CG 3.26Å; A981-K984 PolarHBondContact O-N 3.42Å; N982-K984 VanDerWaalsContact C-N 3.33Å | ||
| 985 | A | 51.6 | Low | 79.9 | Confident | 65 Ų | 65 | 70 Ų | 70 | 54% | 0.537 | 40% | 0.397 | S | S | . | . | trans | -74.8 | 139.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | L983 T987 | L983-A985 PolarHBondContact O-N 3.25Å; A985-T987 PolarHBondContact O-N 3.41Å | ||
| 986 | D | 50.9 | Low | 79.9 | Confident | 175 Ų | 175 | 69.5 Ų | 69.5 | 94% | 0.936 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 19.9 | -171.2 | -69 | -47.3 | 0 | 0 | 0 | 116.6 | ||
| 987 | T | 52.4 | Low | 79.8 | Confident | 134 Ų | 134 | 69.7 Ų | 69.7 | 82% | 0.822 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.4 | -9.9 | -165.5 | 40.6 | 0 | 0 | 0 | 0 | 117.8 | A985 | A985-T987 PolarHBondContact O-N 3.41Š|
| 988 | S | 63.9 | Low | 79.9 | Confident | 59 Ų | 59 | 69.3 Ų | 69.3 | 41% | 0.413 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -105.6 | 140.8 | 176.9 | 37.9 | 0 | 0 | 0 | 0 | 113.7 | E993 | S988-E993 PolarHBondContact OG-OE1 3.34Š|
| 989 | S | 78.9 | Confident | 80 | Confident | 47 Ų | 47 | 67 Ų | 67 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | trans | -71.5 | 144.3 | 176.6 | 70.2 | 0 | 0 | 0 | 0 | 111.5 | E991 E992 E993 | S989-E991 PolarHBondContact O-N 2.85Å; S989-E991 VanDerWaalsContact O-N 3.15Å; S989-E992 PolarHBondContact N-OE2 3.41Å; S989-E992 PolarHBondContact O-N 3.35Å; S989-E992 VanDerWaalsContact O-N 3.11Å; S989-E992 WeakPolarHBondContact OG-CB 3.18Å; S989-E992 WeakPolarHBondContact OG-CG 3.3Å; S989-E992 PolarHBondContact OG-N 3.43Å; S989-E992 PolarHBondContact OG-OE2 3.3Å; S989-E993 PolarHBondContact O-N 3.06Å; S989-E993 VanDerWaalsContact O-N 3.17Å | ||
| 990 | P | 79.4 | Confident | 80.2 | Confident | 97 Ų | 97 | 66.4 Ų | 66.4 | 63% | 0.63 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.9 | -29.6 | 179.3 | -25.2 | 33.5 | 0 | 0 | 0 | 114 | Y994 | P990-Y994 WeakPolarHBondContact O-CB 3.49Å; P990-Y994 PolarHBondContact O-N 3.45Å; P990-Y994 VanDerWaalsContact O-N 3.14Å |
| 991 | E | 83.1 | Confident | 80.4 | Confident | 163 Ų | 163 | 66.5 Ų | 66.5 | 76% | 0.762 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -73.3 | -37.7 | 177.6 | -68.1 | -171.8 | 163.2 | 0 | 0 | 112.6 | S989 Y994 K995 | S989-E991 PolarHBondContact O-N 2.85Å; S989-E991 VanDerWaalsContact O-N 3.15Å; E991-Y994 PolarHBondContact O-N 3.15Å; E991-K995 WeakPolarHBondContact O-CB 3.49Å; E991-K995 PolarHBondContact O-N 3.16Å |
| 992 | E | 85.4 | Confident | 80.7 | Confident | 117 Ų | 117 | 65.1 Ų | 65.1 | 55% | 0.547 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 174.7 | -77.3 | 166.7 | 152.6 | 0 | 0 | 111.4 | S989 Y994 K995 V996 | S989-E992 PolarHBondContact N-OE2 3.41Å; S989-E992 PolarHBondContact O-N 3.35Å; S989-E992 VanDerWaalsContact O-N 3.11Å; S989-E992 WeakPolarHBondContact OG-CB 3.18Å; S989-E992 WeakPolarHBondContact OG-CG 3.3Å; S989-E992 PolarHBondContact OG-N 3.43Å; S989-E992 PolarHBondContact OG-OE2 3.3Å; E992-Y994 PolarHBondContact O-N 3.45Å; E992-K995 WeakPolarHBondContact O-CB 3.34Å; E992-K995 PolarHBondContact O-N 3.28Å; E992-V996 WeakPolarHBondContact O-CG2 3.36Å; E992-V996 PolarHBondContact O-N 3.15Å |
| 993 | E | 86.8 | Confident | 81.3 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 177.2 | -67 | -168.9 | -170 | 0 | 0 | 112.5 | S988 S989 K995 V996 A997 Y1048 | S988-E993 PolarHBondContact OG-OE1 3.34Å; S989-E993 PolarHBondContact O-N 3.06Å; S989-E993 VanDerWaalsContact O-N 3.17Å; E993-K995 VanDerWaalsContact C-N 3.33Å; E993-V996 PolarHBondContact O-N 3.11Å; E993-A997 PolarHBondContact O-N 3.1Å; E993-Y1048 HydrophobicContact CB-CE1 3.72Å; E993-Y1048 WeakPolarHBondContact CB-OH 3.36Å; E993-Y1048 PolarHBondContact OE2-OH 2.92Å |
| 994 | Y | 91 | Very high | 82.1 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 23% | 0.231 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | 173.1 | 168.8 | -114.4 | 0 | 0 | 0 | 111.8 | P990 E991 E992 A997 C998 F1045 Y1048 K1050 H1055 | P990-Y994 WeakPolarHBondContact O-CB 3.49Å; P990-Y994 PolarHBondContact O-N 3.45Å; P990-Y994 VanDerWaalsContact O-N 3.14Å; E991-Y994 PolarHBondContact O-N 3.15Å; E992-Y994 PolarHBondContact O-N 3.45Å; Y994-A997 PolarHBondContact O-N 3.48Å; Y994-C998 VanDerWaalsContact CE2-SG 3.52Å; Y994-C998 PolarHBondContact O-N 3.36Å; Y994-C998 PolarHBondContact O-SG 3.3Å; Y994-F1045 HydrophobicContact CD2-CD1 4.3Å; Y994-F1045 HydrophobicContact CD2-CE1 4.24Å; Y994-F1045 AromaticContact CE2-CD1 3.99Å; Y994-F1045 HydrophobicContact CE2-CD1 3.99Å; Y994-F1045 AromaticContact CE2-CE1 3.91Å; Y994-F1045 HydrophobicContact CE2-CE1 3.91Å; Y994-Y1048 HydrophobicContact CD2-CD2 4.29Å; Y994-Y1048 HydrophobicContact CD2-CG 4.4Å; Y994-K1050 HydrophobicContact CD2-CG 3.92Å; Y994-K1050 HydrophobicContact CE2-CB 4.13Å; Y994-K1050 HydrophobicContact CE2-CD 4.12Å; Y994-K1050 HydrophobicContact CE2-CG 3.51Å; Y994-H1055 AromaticContact CE2-CE1 3.94Å; Y994-H1055 AromaticContact CE2-NE2 3.56Å; Y994-H1055 AromaticContact CZ-NE2 3.59Å; Y994-H1055 PolarHBondContact OH-CE1 3.3Å; Y994-H1055 PolarHBondContact OH-NE2 3.09Å |
| 995 | K | 91.6 | Very high | 83.4 | Confident | 84 Ų | 84 | 50.7 Ų | 50.7 | 37% | 0.365 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 174.6 | -174.7 | -175.8 | 178.2 | -169.5 | 0 | 111 | E991 E992 E993 A997 C998 L999 | E991-K995 WeakPolarHBondContact O-CB 3.49Å; E991-K995 PolarHBondContact O-N 3.16Å; E992-K995 WeakPolarHBondContact O-CB 3.34Å; E992-K995 PolarHBondContact O-N 3.28Å; E993-K995 VanDerWaalsContact C-N 3.33Å; K995-A997 VanDerWaalsContact C-N 3.34Å; K995-A997 PolarHBondContact O-N 2.97Å; K995-C998 PolarHBondContact O-N 3.48Å; K995-L999 HydrophobicContact CG-CD1 4.1Å; K995-L999 HydrophobicContact CG-CG 4.46Å; K995-L999 VanDerWaalsContact O-CG 3.31Å; K995-L999 WeakPolarHBondContact O-CG 3.38Å; K995-L999 PolarHBondContact O-N 3.39Å |
| 996 | V | 91.8 | Very high | 85.3 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60 | -43 | 176.1 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | K868 V871 V872 E992 E993 C998 L999 L1000 | K868-V996 HydrophobicContact CB-CG1 4.12Å; K868-V996 HydrophobicContact CG-CG1 3.89Å; V871-V996 HydrophobicContact CB-CG1 4.13Å; V871-V996 HydrophobicContact CG1-CB 4.42Å; V871-V996 HydrophobicContact CG1-CG1 3.9Å; V872-V996 HydrophobicContact CG2-CG2 3.98Å; E992-V996 WeakPolarHBondContact O-CG2 3.36Å; E992-V996 PolarHBondContact O-N 3.15Å; E993-V996 PolarHBondContact O-N 3.11Å; V996-C998 PolarHBondContact O-N 2.65Å; V996-L999 PolarHBondContact O-N 3.31Å; V996-L1000 WeakPolarHBondContact O-CB 3.5Å; V996-L1000 PolarHBondContact O-N 2.93Å |
| 997 | A | 92 | Very high | 87.3 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E993 Y994 K995 L1000 L1044 F1045 Y1048 | E993-A997 PolarHBondContact O-N 3.1Å; Y994-A997 PolarHBondContact O-N 3.48Å; K995-A997 VanDerWaalsContact C-N 3.34Å; K995-A997 PolarHBondContact O-N 2.97Å; A997-L1000 PolarHBondContact O-N 3.29Å; A997-L1044 HydrophobicContact CB-CB 4.26Å; A997-L1044 HydrophobicContact CB-CD1 4.03Å; A997-F1045 HydrophobicContact CB-CE1 4.22Å; A997-F1045 HydrophobicContact CB-CZ 4.44Å; A997-Y1048 HydrophobicContact CB-CD2 4.25Å; A997-Y1048 HydrophobicContact CB-CE2 3.79Å |
| 998 | C | 93.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -45.7 | 174.4 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | Y994 K995 V996 L1000 L1001 I1002 | Y994-C998 VanDerWaalsContact CE2-SG 3.52Å; Y994-C998 PolarHBondContact O-N 3.36Å; Y994-C998 PolarHBondContact O-SG 3.3Å; K995-C998 PolarHBondContact O-N 3.48Å; V996-C998 PolarHBondContact O-N 2.65Å; C998-L1000 VanDerWaalsContact C-N 3.29Å; C998-L1000 PolarHBondContact O-N 2.92Å; C998-L1001 PolarHBondContact O-N 3.18Å; C998-I1002 PolarHBondContact O-N 2.93Å |
| 999 | L | 94.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.5 | -27.3 | -178.2 | -65.4 | 177.2 | 0 | 0 | 0 | 112.4 | V871 M875 L878 V879 K995 V996 L1001 I1002 F1003 | V871-L999 HydrophobicContact CG1-CB 3.62Å; M875-L999 HydrophobicContact CG-CD1 3.84Å; L878-L999 HydrophobicContact CB-CB 4.25Å; L878-L999 HydrophobicContact CB-CD1 4.4Å; L878-L999 HydrophobicContact CB-CD2 3.92Å; L878-L999 HydrophobicContact CB-CG 4.4Å; L878-L999 HydrophobicContact CD1-CB 4.24Å; V879-L999 HydrophobicContact CG2-CD1 3.85Å; V879-L999 HydrophobicContact CG2-CD2 4Å; K995-L999 HydrophobicContact CG-CD1 4.1Å; K995-L999 HydrophobicContact CG-CG 4.46Å; K995-L999 VanDerWaalsContact O-CG 3.31Å; K995-L999 WeakPolarHBondContact O-CG 3.38Å; K995-L999 PolarHBondContact O-N 3.39Å; V996-L999 PolarHBondContact O-N 3.31Å; L999-L1001 VanDerWaalsContact C-N 3.34Å; L999-I1002 PolarHBondContact O-N 3.2Å; L999-F1003 WeakPolarHBondContact O-CB 3.16Å; L999-F1003 PolarHBondContact O-N 3.21Å |
| 1000 | L | 94.8 | Very high | 91 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.9 | -44.8 | 171.6 | 179.1 | 59.8 | 0 | 0 | 0 | 111.7 | L867 V871 V996 A997 C998 I1002 F1003 L1004 L1044 | L867-L1000 HydrophobicContact CB-CD1 4.11Å; L867-L1000 HydrophobicContact CD2-CD1 4.33Å; V871-L1000 HydrophobicContact CG2-CB 3.89Å; V871-L1000 HydrophobicContact CG2-CD1 3.78Å; V871-L1000 HydrophobicContact CG2-CG 4.44Å; V996-L1000 WeakPolarHBondContact O-CB 3.5Å; V996-L1000 PolarHBondContact O-N 2.93Å; A997-L1000 PolarHBondContact O-N 3.29Å; C998-L1000 VanDerWaalsContact C-N 3.29Å; C998-L1000 PolarHBondContact O-N 2.92Å; L1000-I1002 VanDerWaalsContact C-N 3.35Å; L1000-F1003 PolarHBondContact O-N 3.48Å; L1000-L1004 HydrophobicContact CD1-CD1 4.22Å; L1000-L1004 HydrophobicContact CD1-CG 4.44Å; L1000-L1004 HydrophobicContact CG-CD1 4.1Å; L1000-L1004 WeakPolarHBondContact O-CB 3.46Å; L1000-L1004 WeakPolarHBondContact O-CG 3.33Å; L1000-L1004 PolarHBondContact O-N 3.23Å; L1000-L1044 HydrophobicContact CD2-CD1 4.37Å |
| 1001 | L | 94.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.5 | -79.6 | -176.5 | 0 | 0 | 0 | 111.8 | C998 L999 F1003 L1004 A1005 I1037 S1041 F1045 H1055 F1059 | C998-L1001 PolarHBondContact O-N 3.18Å; L999-L1001 VanDerWaalsContact C-N 3.34Å; L1001-F1003 VanDerWaalsContact C-N 3.35Å; L1001-F1003 PolarHBondContact O-N 3.44Å; L1001-L1004 PolarHBondContact O-N 3.4Å; L1001-A1005 WeakPolarHBondContact O-CB 3.05Å; L1001-A1005 PolarHBondContact O-N 3.08Å; L1001-I1037 HydrophobicContact CD2-CG2 4.29Å; L1001-S1041 WeakPolarHBondContact CD2-OG 3.19Å; L1001-F1045 HydrophobicContact CD1-CE2 3.61Å; L1001-F1045 HydrophobicContact CD1-CZ 3.84Å; L1001-F1045 HydrophobicContact CG-CE2 4.45Å; L1001-H1055 HydrophobicContact CD1-CB 3.97Å; L1001-F1059 HydrophobicContact CB-CB 4.35Å; L1001-F1059 HydrophobicContact CB-CD2 4.28Å; L1001-F1059 HydrophobicContact CD1-CB 4.26Å; L1001-F1059 HydrophobicContact CD2-CB 4.16Å; L1001-F1059 HydrophobicContact CD2-CD2 3.85Å; L1001-F1059 HydrophobicContact CD2-CG 4.12Å; L1001-F1059 WeakPolarHBondContact O-CD2 3.46Å |
| 1002 | I | 94.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.9 | -57.6 | -58.8 | 0 | 0 | 0 | 110.7 | I881 R882 C998 L999 L1000 L1004 A1005 V1006 E1058 V1062 | I881-I1002 HydrophobicContact CB-CG2 4.43Å; I881-I1002 HydrophobicContact CG2-CG2 3.69Å; R882-I1002 HydrophobicContact CB-CD1 4.4Å; R882-I1002 HydrophobicContact CB-CG1 4.08Å; R882-I1002 HydrophobicContact CB-CG2 4.38Å; R882-I1002 HydrophobicContact CG-CD1 3.95Å; R882-I1002 HydrophobicContact CG-CG1 3.92Å; C998-I1002 PolarHBondContact O-N 2.93Å; L999-I1002 PolarHBondContact O-N 3.2Å; L1000-I1002 VanDerWaalsContact C-N 3.35Å; I1002-L1004 VanDerWaalsContact C-N 3.33Å; I1002-L1004 PolarHBondContact O-N 2.69Å; I1002-A1005 PolarHBondContact O-N 2.92Å; I1002-V1006 WeakPolarHBondContact O-CG2 3.34Å; I1002-V1006 PolarHBondContact O-N 3.38Å; I1002-V1006 VanDerWaalsContact O-N 3.09Å; I1002-E1058 HydrophobicContact CD1-CG 4.27Å; I1002-V1062 HydrophobicContact CD1-CG2 4Å |
| 1003 | F | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 178.9 | -157.6 | 171.5 | 0 | 0 | 0 | 111 | L870 V871 N874 L878 L898 A901 V904 L999 L1000 L1001 S1007 | L870-F1003 HydrophobicContact CB-CE1 4.34Å; V871-F1003 HydrophobicContact CG2-CD1 4.14Å; N874-F1003 HydrophobicContact CB-CE1 4.08Å; N874-F1003 HydrophobicContact CB-CZ 4.36Å; L878-F1003 HydrophobicContact CD1-CB 4Å; L878-F1003 HydrophobicContact CD1-CD1 3.67Å; L878-F1003 HydrophobicContact CD1-CE1 4.32Å; L878-F1003 HydrophobicContact CD1-CG 3.97Å; L878-F1003 HydrophobicContact CD2-CB 3.62Å; L878-F1003 HydrophobicContact CD2-CD1 4.24Å; L878-F1003 HydrophobicContact CD2-CD2 4Å; L878-F1003 HydrophobicContact CD2-CG 3.71Å; L878-F1003 HydrophobicContact CG-CB 4.49Å; L878-F1003 HydrophobicContact CG-CG 4.46Å; L898-F1003 HydrophobicContact CB-CE2 4.24Å; L898-F1003 HydrophobicContact CD1-CD2 4.34Å; L898-F1003 HydrophobicContact CD1-CE2 4.13Å; L898-F1003 HydrophobicContact CD2-CD2 4.49Å; L898-F1003 HydrophobicContact CD2-CE2 4.08Å; L898-F1003 HydrophobicContact CD2-CZ 4.39Å; L898-F1003 HydrophobicContact CG-CE2 4.39Å; A901-F1003 HydrophobicContact CB-CE2 4.13Å; V904-F1003 HydrophobicContact CG2-CD1 3.82Å; V904-F1003 HydrophobicContact CG2-CD2 4.44Å; V904-F1003 HydrophobicContact CG2-CE1 3.63Å; V904-F1003 HydrophobicContact CG2-CE2 4.25Å; V904-F1003 HydrophobicContact CG2-CG 4.24Å; V904-F1003 HydrophobicContact CG2-CZ 3.86Å; L999-F1003 WeakPolarHBondContact O-CB 3.16Å; L999-F1003 PolarHBondContact O-N 3.21Å; L1000-F1003 PolarHBondContact O-N 3.48Å; L1001-F1003 VanDerWaalsContact C-N 3.35Å; L1001-F1003 PolarHBondContact O-N 3.44Å; F1003-S1007 VanDerWaalsContact O-CB 3.25Å; F1003-S1007 WeakPolarHBondContact O-CB 3.4Å; F1003-S1007 PolarHBondContact O-N 3.29Å; F1003-S1007 VanDerWaalsContact O-N 3.16Å; F1003-S1007 PolarHBondContact O-OG 2.91Å |
| 1004 | L | 93.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.7 | -48.4 | 175 | -75.5 | 164 | 0 | 0 | 0 | 111.8 | V904 M908 L1000 L1001 I1002 V1006 S1007 L1008 I1037 F1059 | V904-L1004 HydrophobicContact CG1-CD2 3.52Å; V904-L1004 HydrophobicContact CG1-CG 3.97Å; M908-L1004 HydrophobicContact CB-CD2 3.91Å; M908-L1004 HydrophobicContact CE-CD1 4.12Å; M908-L1004 HydrophobicContact CG-CD1 3.89Å; M908-L1004 HydrophobicContact CG-CD2 3.5Å; M908-L1004 HydrophobicContact CG-CG 4.27Å; L1000-L1004 HydrophobicContact CD1-CD1 4.22Å; L1000-L1004 HydrophobicContact CD1-CG 4.44Å; L1000-L1004 HydrophobicContact CG-CD1 4.1Å; L1000-L1004 WeakPolarHBondContact O-CB 3.46Å; L1000-L1004 WeakPolarHBondContact O-CG 3.33Å; L1000-L1004 PolarHBondContact O-N 3.23Å; L1001-L1004 PolarHBondContact O-N 3.4Å; I1002-L1004 VanDerWaalsContact C-N 3.33Å; I1002-L1004 PolarHBondContact O-N 2.69Å; L1004-V1006 PolarHBondContact O-N 2.73Å; L1004-S1007 PolarHBondContact O-N 2.92Å; L1004-S1007 VanDerWaalsContact O-N 3.08Å; L1004-L1008 PolarHBondContact O-N 3.05Å; L1004-I1037 HydrophobicContact CD1-CG1 4.44Å; L1004-F1059 HydrophobicContact CB-CE2 3.99Å |
| 1005 | A | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1001 I1002 S1007 F1059 V1062 A1063 | L1001-A1005 WeakPolarHBondContact O-CB 3.05Å; L1001-A1005 PolarHBondContact O-N 3.08Å; I1002-A1005 PolarHBondContact O-N 2.92Å; A1005-S1007 VanDerWaalsContact C-N 3.27Å; A1005-S1007 PolarHBondContact O-N 3.33Å; A1005-F1059 HydrophobicContact CB-CD2 3.76Å; A1005-F1059 HydrophobicContact CB-CE2 3.79Å; A1005-V1062 HydrophobicContact CB-CB 3.94Å; A1005-V1062 HydrophobicContact CB-CG1 3.69Å; A1005-A1063 HydrophobicContact CB-CB 4Å |
| 1006 | V | 92.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 3% | 0.03 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -77.3 | -13.4 | 179.3 | -56.8 | 0 | 0 | 0 | 0 | 113.6 | I881 L895 L898 I1002 L1004 P1009 V1062 | I881-V1006 HydrophobicContact CG2-CG1 3.84Å; L895-V1006 HydrophobicContact CD2-CB 3.78Å; L895-V1006 HydrophobicContact CD2-CG1 4.33Å; L895-V1006 HydrophobicContact CD2-CG2 4.15Å; L898-V1006 HydrophobicContact CD1-CG2 3.74Å; I1002-V1006 WeakPolarHBondContact O-CG2 3.34Å; I1002-V1006 PolarHBondContact O-N 3.38Å; I1002-V1006 VanDerWaalsContact O-N 3.09Å; L1004-V1006 PolarHBondContact O-N 2.73Å; V1006-P1009 WeakPolarHBondContact O-CD 3.2Å; V1006-V1062 HydrophobicContact CG1-CG1 3.87Å |
| 1007 | S | 92.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -85.9 | -25 | 177.9 | -61.1 | 0 | 0 | 0 | 0 | 113.1 | L905 F1003 L1004 A1005 P1009 F1010 | L905-S1007 WeakPolarHBondContact CD1-O 3.25Å; F1003-S1007 VanDerWaalsContact O-CB 3.25Å; F1003-S1007 WeakPolarHBondContact O-CB 3.4Å; F1003-S1007 PolarHBondContact O-N 3.29Å; F1003-S1007 VanDerWaalsContact O-N 3.16Å; F1003-S1007 PolarHBondContact O-OG 2.91Å; L1004-S1007 PolarHBondContact O-N 2.92Å; L1004-S1007 VanDerWaalsContact O-N 3.08Å; A1005-S1007 VanDerWaalsContact C-N 3.27Å; A1005-S1007 PolarHBondContact O-N 3.33Å; S1007-P1009 VanDerWaalsContact C-N 3.31Å; S1007-P1009 VanDerWaalsContact O-N 3.13Å; S1007-F1010 WeakPolarHBondContact O-CB 3.27Å; S1007-F1010 VanDerWaalsContact O-CD2 3.31Å; S1007-F1010 WeakPolarHBondContact O-CD2 3.23Å; S1007-F1010 PolarHBondContact O-N 3.22Å |
| 1008 | L | 92.2 | Very high | 91.3 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -49.6 | -39.4 | -178.3 | -65.1 | 178.6 | 0 | 0 | 0 | 115 | L905 L1004 F1010 L1011 F1059 A1063 L1067 | L905-L1008 HydrophobicContact CD2-CD2 4.16Å; L1004-L1008 PolarHBondContact O-N 3.05Å; L1008-F1010 PolarHBondContact O-N 3.44Å; L1008-L1011 HydrophobicContact CD2-CD1 4.2Å; L1008-L1011 WeakPolarHBondContact O-CB 3.48Å; L1008-L1011 PolarHBondContact O-N 3.12Å; L1008-L1011 VanDerWaalsContact O-N 3.09Å; L1008-F1059 HydrophobicContact CD1-CZ 4.26Å; L1008-A1063 HydrophobicContact CD1-CB 3.93Å; L1008-L1067 HydrophobicContact CB-CD2 4.38Å |
| 1009 | P | 90.4 | Very high | 91.1 | Very high | 27 Ų | 27 | 21.7 Ų | 21.7 | 18% | 0.175 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -59.1 | -27.9 | 177.5 | -26.2 | 36.3 | 0 | 0 | 0 | 114.7 | V1006 S1007 L1011 A1012 L1067 L1070 | V1006-P1009 WeakPolarHBondContact O-CD 3.2Å; S1007-P1009 VanDerWaalsContact C-N 3.31Å; S1007-P1009 VanDerWaalsContact O-N 3.13Å; P1009-L1011 PolarHBondContact O-N 3Å; P1009-A1012 WeakPolarHBondContact O-CB 3.28Å; P1009-A1012 PolarHBondContact O-N 3.37Å; P1009-A1012 VanDerWaalsContact O-N 3.13Å; P1009-L1067 HydrophobicContact CG-CD2 4.28Å; P1009-L1070 HydrophobicContact CB-CB 4.45Å; P1009-L1070 HydrophobicContact CB-CD2 4.21Å |
| 1010 | F | 88.9 | Confident | 90.8 | Very high | 85 Ų | 85 | 22.5 Ų | 22.5 | 37% | 0.373 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -63.6 | -23.1 | 177.3 | -67.3 | -70.6 | 0 | 0 | 0 | 112.5 | A901 L905 S1007 L1008 A1012 T1013 | A901-F1010 HydrophobicContact CB-CD2 3.93Å; A901-F1010 HydrophobicContact CB-CE2 3.8Å; L905-F1010 HydrophobicContact CD1-CB 4.33Å; S1007-F1010 WeakPolarHBondContact O-CB 3.27Å; S1007-F1010 VanDerWaalsContact O-CD2 3.31Å; S1007-F1010 WeakPolarHBondContact O-CD2 3.23Å; S1007-F1010 PolarHBondContact O-N 3.22Å; L1008-F1010 PolarHBondContact O-N 3.44Å; F1010-A1012 PolarHBondContact O-N 3.39Å; F1010-T1013 PolarHBondContact O-N 2.93Å; F1010-T1013 PolarHBondContact O-OG1 2.91Å |
| 1011 | L | 90.1 | Very high | 90.4 | Very high | 12 Ų | 12 | 25 Ų | 25 | 6% | 0.063 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -66.6 | -19.6 | 176.9 | -63.7 | 173.7 | 0 | 0 | 0 | 112.9 | L905 L1008 P1009 T1013 D1014 S1017 I1030 L1033 I1085 L1088 | L905-L1011 HydrophobicContact CB-CD2 4.4Å; L905-L1011 HydrophobicContact CD1-CD2 3.75Å; L905-L1011 HydrophobicContact CD1-CG 3.83Å; L905-L1011 HydrophobicContact CD2-CD1 4.21Å; L905-L1011 HydrophobicContact CD2-CG 4.37Å; L905-L1011 HydrophobicContact CG-CD2 4.48Å; L1008-L1011 HydrophobicContact CD2-CD1 4.2Å; L1008-L1011 WeakPolarHBondContact O-CB 3.48Å; L1008-L1011 PolarHBondContact O-N 3.12Å; L1008-L1011 VanDerWaalsContact O-N 3.09Å; P1009-L1011 PolarHBondContact O-N 3Å; L1011-T1013 PolarHBondContact O-N 3.04Å; L1011-D1014 PolarHBondContact O-N 3.48Å; L1011-S1017 WeakPolarHBondContact O-CB 3.39Å; L1011-S1017 PolarHBondContact O-OG 3.45Å; L1011-I1030 HydrophobicContact CB-CD1 4.48Å; L1011-I1030 HydrophobicContact CD1-CB 4.37Å; L1011-I1030 HydrophobicContact CD1-CD1 4.15Å; L1011-I1030 HydrophobicContact CD1-CG2 4.26Å; L1011-I1030 HydrophobicContact CD2-CG2 3.96Å; L1011-L1033 HydrophobicContact CD1-CD1 3.96Å; L1011-I1085 HydrophobicContact CB-CD1 3.47Å; L1011-I1085 VanDerWaalsContact CB-CD1 3.47Å; L1011-I1085 HydrophobicContact CB-CG1 4.07Å; L1011-L1088 HydrophobicContact CD1-CD1 3.97Å |
| 1012 | A | 88.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -70.2 | -19.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1009 F1010 L1070 K1078 N1081 I1085 | P1009-A1012 WeakPolarHBondContact O-CB 3.28Å; P1009-A1012 PolarHBondContact O-N 3.37Å; P1009-A1012 VanDerWaalsContact O-N 3.13Å; F1010-A1012 PolarHBondContact O-N 3.39Å; A1012-L1070 HydrophobicContact CB-CD2 3.72Å; A1012-K1078 WeakPolarHBondContact CB-O 3.45Å; A1012-N1081 PolarHBondContact O-N 2.98Å; A1012-I1085 HydrophobicContact CB-CG1 4.02Å |
| 1013 | T | 88.4 | Confident | 89.4 | Confident | 67 Ų | 67 | 31.5 Ų | 31.5 | 41% | 0.411 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -84.1 | -26.4 | 177.2 | 57 | 0 | 0 | 0 | 0 | 112.7 | F1010 L1011 P1015 | F1010-T1013 PolarHBondContact O-N 2.93Å; F1010-T1013 PolarHBondContact O-OG1 2.91Å; L1011-T1013 PolarHBondContact O-N 3.04Å; T1013-P1015 WeakPolarHBondContact O-CD 3.31Å |
| 1014 | D | 87.9 | Confident | 89.1 | Confident | 53 Ų | 53 | 35 Ų | 35 | 28% | 0.283 | 19% | 0.187 | S | C | . | . | trans | -71.4 | 120 | -177.9 | 177.1 | -1.8 | 0 | 0 | 0 | 110.6 | L1011 S1016 S1017 N1028 N1081 | L1011-D1014 PolarHBondContact O-N 3.48Å; D1014-S1016 PolarHBondContact O-N 3Å; D1014-S1016 VanDerWaalsContact O-N 3.14Å; D1014-S1016 WeakPolarHBondContact OD1-CB 3.41Å; D1014-S1016 PolarHBondContact OD1-N 3.28Å; D1014-S1016 PolarHBondContact OD1-OG 2.9Å; D1014-S1016 PolarHBondContact OD2-OG 3.42Å; D1014-S1017 WeakPolarHBondContact CB-OG 3.3Å; D1014-S1017 WeakPolarHBondContact O-CB 3.45Å; D1014-S1017 PolarHBondContact O-N 2.88Å; D1014-S1017 VanDerWaalsContact O-N 3.12Å; D1014-N1028 PolarHBondContact OD2-ND2 3.33Å; D1014-N1081 PolarHBondContact O-ND2 3.45Å | ||
| 1015 | P | 84.6 | Confident | 88.9 | Confident | 78 Ų | 78 | 34.8 Ų | 34.8 | 51% | 0.506 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -28.1 | 178.7 | -8.6 | 12.2 | 0 | 0 | 0 | 114 | T1013 S1017 | T1013-P1015 WeakPolarHBondContact O-CD 3.31Å; P1015-S1017 VanDerWaalsContact C-N 3.31Å |
| 1016 | S | 87.2 | Confident | 88.8 | Confident | 37 Ų | 37 | 34.8 Ų | 34.8 | 26% | 0.259 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.4 | -177.2 | 64.9 | 0 | 0 | 0 | 0 | 113.8 | D1014 F1018 N1027 N1028 | D1014-S1016 PolarHBondContact O-N 3Å; D1014-S1016 VanDerWaalsContact O-N 3.14Å; D1014-S1016 WeakPolarHBondContact OD1-CB 3.41Å; D1014-S1016 PolarHBondContact OD1-N 3.28Å; D1014-S1016 PolarHBondContact OD1-OG 2.9Å; D1014-S1016 PolarHBondContact OD2-OG 3.42Å; S1016-F1018 PolarHBondContact O-N 2.95Å; S1016-F1018 VanDerWaalsContact O-N 3.13Å; S1016-N1027 PolarHBondContact O-N 2.93Å; S1016-N1028 PolarHBondContact O-OD1 3.39Å; S1016-N1028 VanDerWaalsContact OG-CB 3.27Å; S1016-N1028 WeakPolarHBondContact OG-CB 3.32Å; S1016-N1028 PolarHBondContact OG-ND2 3.46Å |
| 1017 | S | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -79.8 | 25 | 174.3 | -57.4 | 0 | 0 | 0 | 0 | 114.6 | L1011 D1014 P1015 Y1026 N1028 S1084 | L1011-S1017 WeakPolarHBondContact O-CB 3.39Å; L1011-S1017 PolarHBondContact O-OG 3.45Å; D1014-S1017 WeakPolarHBondContact CB-OG 3.3Å; D1014-S1017 WeakPolarHBondContact O-CB 3.45Å; D1014-S1017 PolarHBondContact O-N 2.88Å; D1014-S1017 VanDerWaalsContact O-N 3.12Å; P1015-S1017 VanDerWaalsContact C-N 3.31Å; S1017-Y1026 WeakPolarHBondContact O-CD1 3.42Å; S1017-N1028 PolarHBondContact N-ND2 3.13Å; S1017-N1028 PolarHBondContact OG-ND2 3.46Å; S1017-S1084 VanDerWaalsContact O-CB 3.29Å; S1017-S1084 WeakPolarHBondContact O-CB 3.41Å | ||
| 1018 | F | 89.8 | Confident | 88.5 | Confident | 64 Ų | 64 | 38.2 Ų | 38.2 | 28% | 0.281 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -84.7 | 131.3 | 172.6 | -176.4 | -94.8 | 0 | 0 | 0 | 110.4 | S1016 S1020 V1120 A1123 | S1016-F1018 PolarHBondContact O-N 2.95Å; S1016-F1018 VanDerWaalsContact O-N 3.13Å; F1018-S1020 PolarHBondContact O-N 2.74Å; F1018-V1120 HydrophobicContact CE2-CG1 4.36Å; F1018-V1120 HydrophobicContact CZ-CG1 4.42Å; F1018-A1123 HydrophobicContact CZ-CB 4.01Å |
| 1019 | Y | 89.9 | Confident | 88.6 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 118.8 | 177.9 | -171.5 | -91.7 | 0 | 0 | 0 | 111.1 | I1021 D1024 Y1026 S1084 L1087 L1091 Y1117 V1120 | Y1019-I1021 HydrophobicContact CE1-CG1 4.47Å; Y1019-D1024 PolarHBondContact OH-OD1 2.94Å; Y1019-Y1026 HydrophobicContact CD2-CD1 4.46Å; Y1019-Y1026 HydrophobicContact CD2-CD2 4.06Å; Y1019-Y1026 HydrophobicContact CD2-CE1 4.06Å; Y1019-Y1026 AromaticContact CD2-CE2 3.59Å; Y1019-Y1026 HydrophobicContact CD2-CE2 3.59Å; Y1019-Y1026 HydrophobicContact CD2-CG 4.48Å; Y1019-Y1026 AromaticContact CD2-CZ 3.59Å; Y1019-Y1026 HydrophobicContact CE2-CE2 4.14Å; Y1019-S1084 PolarHBondContact N-OG 3.25Å; Y1019-S1084 VanDerWaalsContact N-OG 3.09Å; Y1019-L1087 HydrophobicContact CD1-CD1 3.97Å; Y1019-L1087 HydrophobicContact CD2-CD1 4.25Å; Y1019-L1087 HydrophobicContact CE1-CD1 4.42Å; Y1019-L1087 HydrophobicContact CG-CD1 3.85Å; Y1019-L1091 HydrophobicContact CE2-CD1 4.26Å; Y1019-Y1117 AromaticContact CE1-CE1 3.92Å; Y1019-Y1117 HydrophobicContact CE1-CE1 3.92Å; Y1019-Y1117 PolarHBondContact OH-OH 3.09Å; Y1019-V1120 HydrophobicContact CD1-CG2 4.16Å |
| 1020 | S | 88.4 | Confident | 88.7 | Confident | 19 Ų | 19 | 37 Ų | 37 | 13% | 0.133 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 123.8 | 177.2 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | F1018 K1023 D1024 G1025 | F1018-S1020 PolarHBondContact O-N 2.74Å; S1020-K1023 PolarHBondContact O-N 3.34Å; S1020-D1024 WeakPolarHBondContact O-CA 3.48Å; S1020-D1024 PolarHBondContact O-N 3.47Å; S1020-G1025 PolarHBondContact N-O 3.42Å; S1020-G1025 PolarHBondContact O-N 3.5Å |
| 1021 | I | 86.2 | Confident | 88.9 | Confident | 59 Ų | 59 | 33.4 Ų | 33.4 | 30% | 0.303 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -33.2 | 176.1 | -68.7 | 172.8 | 0 | 0 | 0 | 112.2 | Y1019 K1023 D1024 F1124 | Y1019-I1021 HydrophobicContact CE1-CG1 4.47Å; I1021-K1023 PolarHBondContact O-N 3.13Å; I1021-D1024 PolarHBondContact O-N 3.33Å; I1021-F1124 HydrophobicContact CB-CG 4.4Å; I1021-F1124 HydrophobicContact CD1-CB 4.15Å; I1021-F1124 HydrophobicContact CD1-CG 4.49Å |
| 1022 | E | 84.3 | Confident | 89.1 | Confident | 99 Ų | 99 | 33 Ų | 33 | 46% | 0.463 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -34.5 | 178 | -82.9 | 174.6 | 177.7 | 0 | 0 | 112.5 | F1124 R1128 | E1022-F1124 HydrophobicContact CB-CE2 4.49Å; E1022-F1124 VanDerWaalsContact CD-CE2 3.47Å; E1022-F1124 HydrophobicContact CG-CD2 4.49Å; E1022-F1124 HydrophobicContact CG-CE2 3.41Å; E1022-F1124 VanDerWaalsContact CG-CE2 3.41Å; E1022-F1124 HydrophobicContact CG-CZ 3.56Å; E1022-F1124 VanDerWaalsContact OE1-CE2 3.24Å; E1022-F1124 WeakPolarHBondContact OE1-CE2 3.45Å; E1022-F1124 WeakPolarHBondContact OE1-CZ 3.15Å; E1022-R1128 IonicContact OE1-CZ 3.26Å; E1022-R1128 VanDerWaalsContact OE1-CZ 3.26Å; E1022-R1128 IonicContact OE1-NE 3.15Å; E1022-R1128 PolarHBondContact OE1-NE 3.49Å; E1022-R1128 VanDerWaalsContact OE1-NE 3.15Å; E1022-R1128 IonicContact OE1-NH2 2.64Å; E1022-R1128 PolarHBondContact OE1-NH2 2.86Å |
| 1023 | K | 84 | Confident | 89.4 | Confident | 46 Ų | 46 | 33.1 Ų | 33.1 | 20% | 0.2 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -14.9 | -177.3 | -66.1 | 162.7 | 172.2 | -166.2 | 0 | 112.3 | I807 S809 P810 A811 S1020 I1021 G1025 N1027 | I807-K1023 HydrophobicContact CD1-CD 3.33Å; I807-K1023 VanDerWaalsContact CD1-CE 3.41Å; I807-K1023 HydrophobicContact CD1-CG 4.04Å; S809-K1023 WeakPolarHBondContact CA-O 3.21Å; S809-K1023 WeakPolarHBondContact OG-CA 3.23Å; S809-K1023 PolarHBondContact OG-O 3.3Å; P810-K1023 VanDerWaalsContact CD-O 3.3Å; P810-K1023 WeakPolarHBondContact CD-O 3.26Å; A811-K1023 PolarHBondContact N-O 2.85Å; S1020-K1023 PolarHBondContact O-N 3.34Å; I1021-K1023 PolarHBondContact O-N 3.13Å; K1023-G1025 VanDerWaalsContact C-N 3.28Å; K1023-N1027 PolarHBondContact NZ-OD1 2.64Å |
| 1024 | D | 87.8 | Confident | 89.6 | Confident | 72 Ų | 72 | 30.4 Ų | 30.4 | 39% | 0.385 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 47.9 | -165.5 | -159.1 | 37.3 | 0 | 0 | 0 | 112.4 | P810 A811 Y1019 S1020 I1021 | P810-D1024 HydrophobicContact CB-CB 4.41Å; P810-D1024 WeakPolarHBondContact CG-O 3.39Å; A811-D1024 HydrophobicContact CB-CB 3.82Å; Y1019-D1024 PolarHBondContact OH-OD1 2.94Å; S1020-D1024 WeakPolarHBondContact O-CA 3.48Å; S1020-D1024 PolarHBondContact O-N 3.47Å; I1021-D1024 PolarHBondContact O-N 3.33Å |
| 1025 | G | 89.4 | Confident | 89.9 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.7 | -167.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1020 K1023 | S1020-G1025 PolarHBondContact N-O 3.42Å; S1020-G1025 PolarHBondContact O-N 3.5Å; K1023-G1025 VanDerWaalsContact C-N 3.28Å |
| 1026 | Y | 91.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 150.2 | -175.4 | -56.4 | -102 | 0 | 0 | 0 | 111.4 | S1017 Y1019 N1028 N1029 I1030 H1031 S1084 L1088 L1091 | S1017-Y1026 WeakPolarHBondContact O-CD1 3.42Å; Y1019-Y1026 HydrophobicContact CD2-CD1 4.46Å; Y1019-Y1026 HydrophobicContact CD2-CD2 4.06Å; Y1019-Y1026 HydrophobicContact CD2-CE1 4.06Å; Y1019-Y1026 AromaticContact CD2-CE2 3.59Å; Y1019-Y1026 HydrophobicContact CD2-CE2 3.59Å; Y1019-Y1026 HydrophobicContact CD2-CG 4.48Å; Y1019-Y1026 AromaticContact CD2-CZ 3.59Å; Y1019-Y1026 HydrophobicContact CE2-CE2 4.14Å; Y1026-N1028 WeakPolarHBondContact CB-OD1 3.38Å; Y1026-N1028 PolarHBondContact O-N 3.43Å; Y1026-N1029 PolarHBondContact O-N 3.29Å; Y1026-I1030 HydrophobicContact CD1-CD1 3.56Å; Y1026-I1030 HydrophobicContact CD1-CG1 3.68Å; Y1026-I1030 HydrophobicContact CD2-CD1 4.34Å; Y1026-I1030 HydrophobicContact CD2-CG1 3.6Å; Y1026-I1030 HydrophobicContact CE1-CD1 3.83Å; Y1026-I1030 HydrophobicContact CE1-CG1 4.16Å; Y1026-I1030 HydrophobicContact CE2-CG1 4.11Å; Y1026-I1030 HydrophobicContact CG-CD1 3.83Å; Y1026-I1030 HydrophobicContact CG-CG1 3.35Å; Y1026-H1031 HydrophobicContact CD2-CB 3.6Å; Y1026-H1031 AromaticContact CD2-ND1 3.83Å; Y1026-H1031 HydrophobicContact CE2-CB 3.87Å; Y1026-H1031 PolarHBondContact N-ND1 2.95Å; Y1026-H1031 VanDerWaalsContact N-ND1 3.17Å; Y1026-S1084 WeakPolarHBondContact CE1-O 3.42Å; Y1026-S1084 PolarHBondContact OH-O 3.11Å; Y1026-L1088 HydrophobicContact CD2-CD2 4.38Å; Y1026-L1088 HydrophobicContact CE2-CD2 3.51Å; Y1026-L1088 HydrophobicContact CE2-CG 4.25Å; Y1026-L1088 PolarHBondContact OH-N 3.32Å; Y1026-L1091 HydrophobicContact CE2-CD1 4.06Å |
| 1027 | N | 88.4 | Confident | 90.8 | Very high | 50 Ų | 50 | 24.3 Ų | 24.3 | 27% | 0.267 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -11.7 | -176.4 | -66.9 | -44.5 | 0 | 0 | 0 | 114.2 | I807 S1016 K1023 | I807-N1027 WeakPolarHBondContact CG2-O 3.33Å; S1016-N1027 PolarHBondContact O-N 2.93Å; K1023-N1027 PolarHBondContact NZ-OD1 2.64Å |
| 1028 | N | 89.7 | Confident | 91 | Very high | 27 Ų | 27 | 24.4 Ų | 24.4 | 14% | 0.144 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 16.1 | 173.9 | 56 | 1.6 | 0 | 0 | 0 | 113.7 | D1014 S1016 S1017 Y1026 I1030 | D1014-N1028 PolarHBondContact OD2-ND2 3.33Å; S1016-N1028 PolarHBondContact O-OD1 3.39Å; S1016-N1028 VanDerWaalsContact OG-CB 3.27Å; S1016-N1028 WeakPolarHBondContact OG-CB 3.32Å; S1016-N1028 PolarHBondContact OG-ND2 3.46Å; S1017-N1028 PolarHBondContact N-ND2 3.13Å; S1017-N1028 PolarHBondContact OG-ND2 3.46Å; Y1026-N1028 WeakPolarHBondContact CB-OD1 3.38Å; Y1026-N1028 PolarHBondContact O-N 3.43Å; N1028-I1030 PolarHBondContact O-N 3.15Å; N1028-I1030 WeakPolarHBondContact OD1-CG1 3.14Å; N1028-I1030 WeakPolarHBondContact OD1-CG2 3.3Å |
| 1029 | N | 93.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | trans | 63.2 | 15.5 | 177.6 | -61.5 | -40.7 | 0 | 0 | 0 | 116 | I806 I807 F808 T909 V913 Y1026 H1031 C1032 | I806-N1029 PolarHBondContact O-ND2 2.86Å; I806-N1029 VanDerWaalsContact O-ND2 3.13Å; I807-N1029 WeakPolarHBondContact CA-OD1 3.39Å; I807-N1029 WeakPolarHBondContact CB-OD1 3.29Å; F808-N1029 PolarHBondContact N-OD1 2.94Å; T909-N1029 HydrophobicContact CG2-CB 4Å; V913-N1029 HydrophobicContact CG2-CB 3.66Å; Y1026-N1029 PolarHBondContact O-N 3.29Å; N1029-H1031 PolarHBondContact O-N 3.39Å; N1029-H1031 VanDerWaalsContact O-N 3.11Å; N1029-C1032 WeakPolarHBondContact O-CB 3.4Å; N1029-C1032 PolarHBondContact O-N 2.93Å; N1029-C1032 PolarHBondContact O-SG 3.32Å | ||
| 1030 | I | 93.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.015 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17 | -179.1 | 63.2 | 177 | 0 | 0 | 0 | 114 | L1011 Y1026 N1028 C1032 L1033 I1085 L1088 | L1011-I1030 HydrophobicContact CB-CD1 4.48Å; L1011-I1030 HydrophobicContact CD1-CB 4.37Å; L1011-I1030 HydrophobicContact CD1-CD1 4.15Å; L1011-I1030 HydrophobicContact CD1-CG2 4.26Å; L1011-I1030 HydrophobicContact CD2-CG2 3.96Å; Y1026-I1030 HydrophobicContact CD1-CD1 3.56Å; Y1026-I1030 HydrophobicContact CD1-CG1 3.68Å; Y1026-I1030 HydrophobicContact CD2-CD1 4.34Å; Y1026-I1030 HydrophobicContact CD2-CG1 3.6Å; Y1026-I1030 HydrophobicContact CE1-CD1 3.83Å; Y1026-I1030 HydrophobicContact CE1-CG1 4.16Å; Y1026-I1030 HydrophobicContact CE2-CG1 4.11Å; Y1026-I1030 HydrophobicContact CG-CD1 3.83Å; Y1026-I1030 HydrophobicContact CG-CG1 3.35Å; N1028-I1030 PolarHBondContact O-N 3.15Å; N1028-I1030 WeakPolarHBondContact OD1-CG1 3.14Å; N1028-I1030 WeakPolarHBondContact OD1-CG2 3.3Å; I1030-C1032 PolarHBondContact O-N 3.1Å; I1030-L1033 HydrophobicContact CB-CD1 3.82Å; I1030-L1033 HydrophobicContact CB-CG 4.5Å; I1030-L1033 HydrophobicContact CG2-CD1 4.08Å; I1030-L1033 WeakPolarHBondContact O-CB 3.33Å; I1030-L1033 WeakPolarHBondContact O-CG 3.33Å; I1030-L1033 PolarHBondContact O-N 3.28Å; I1030-L1033 VanDerWaalsContact O-N 3.1Å; I1030-I1085 HydrophobicContact CD1-CD1 3.66Å; I1030-L1088 HydrophobicContact CD1-CD1 4.24Å; I1030-L1088 HydrophobicContact CG1-CD2 4.39Å; I1030-L1088 WeakPolarHBondContact O-CD2 3.28Å |
| 1031 | H | 92.9 | Very high | 91.7 | Very high | 10 Ų | 10 | 22.2 Ų | 22.2 | 5% | 0.046 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -30 | 168.4 | 52.7 | -69.6 | 0 | 0 | 0 | 111.7 | F808 Y1026 N1029 L1033 T1034 L1091 | F808-H1031 AromaticContact CD1-CD2 3.96Å; F808-H1031 AromaticContact CD1-NE2 3.55Å; F808-H1031 PolarHBondContact O-CE1 3.37Å; F808-H1031 VanDerWaalsContact O-CE1 3.28Å; F808-H1031 PolarHBondContact O-NE2 3.03Å; F808-H1031 VanDerWaalsContact O-NE2 3.1Å; Y1026-H1031 HydrophobicContact CD2-CB 3.6Å; Y1026-H1031 AromaticContact CD2-ND1 3.83Å; Y1026-H1031 HydrophobicContact CE2-CB 3.87Å; Y1026-H1031 PolarHBondContact N-ND1 2.95Å; Y1026-H1031 VanDerWaalsContact N-ND1 3.17Å; N1029-H1031 PolarHBondContact O-N 3.39Å; N1029-H1031 VanDerWaalsContact O-N 3.11Å; H1031-L1033 PolarHBondContact O-N 3.45Å; H1031-T1034 WeakPolarHBondContact O-CB 3.4Å; H1031-T1034 WeakPolarHBondContact O-CG2 3.36Å; H1031-T1034 PolarHBondContact O-N 2.63Å; H1031-T1034 PolarHBondContact O-OG1 2.88Å; H1031-L1091 HydrophobicContact CB-CD1 4.02Å |
| 1032 | C | 94.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.5 | -18.9 | 175.9 | -53.5 | 0 | 0 | 0 | 0 | 112.7 | G912 V913 N1029 I1030 T1034 K1035 A1036 | G912-C1032 VanDerWaalsContact C-CB 3.45Å; G912-C1032 WeakPolarHBondContact CA-O 3.36Å; V913-C1032 HydrophobicContact CG2-CB 4.28Å; N1029-C1032 WeakPolarHBondContact O-CB 3.4Å; N1029-C1032 PolarHBondContact O-N 2.93Å; N1029-C1032 PolarHBondContact O-SG 3.32Å; I1030-C1032 PolarHBondContact O-N 3.1Å; C1032-T1034 PolarHBondContact O-N 3.19Å; C1032-K1035 PolarHBondContact O-N 3.12Å; C1032-A1036 PolarHBondContact O-N 2.61Å |
| 1033 | L | 93.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 2% | 0.016 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -55.6 | -33.5 | 173.3 | -74.4 | 167.5 | 0 | 0 | 0 | 111.7 | L905 M908 T909 L1011 I1030 H1031 A1036 I1037 | L905-L1033 HydrophobicContact CD2-CD1 4.44Å; M908-L1033 VanDerWaalsContact C-CD2 3.45Å; M908-L1033 HydrophobicContact CB-CD2 3.48Å; M908-L1033 VanDerWaalsContact CB-CD2 3.48Å; T909-L1033 VanDerWaalsContact N-CD2 3.29Å; T909-L1033 WeakPolarHBondContact OG1-CD2 3.28Å; T909-L1033 WeakPolarHBondContact OG1-CG 3.07Å; L1011-L1033 HydrophobicContact CD1-CD1 3.96Å; I1030-L1033 HydrophobicContact CB-CD1 3.82Å; I1030-L1033 HydrophobicContact CB-CG 4.5Å; I1030-L1033 HydrophobicContact CG2-CD1 4.08Å; I1030-L1033 WeakPolarHBondContact O-CB 3.33Å; I1030-L1033 WeakPolarHBondContact O-CG 3.33Å; I1030-L1033 PolarHBondContact O-N 3.28Å; I1030-L1033 VanDerWaalsContact O-N 3.1Å; H1031-L1033 PolarHBondContact O-N 3.45Å; L1033-A1036 WeakPolarHBondContact O-CB 3.46Å; L1033-A1036 PolarHBondContact O-N 3.21Å; L1033-I1037 HydrophobicContact CB-CD1 4.36Å; L1033-I1037 WeakPolarHBondContact O-CB 3.43Å; L1033-I1037 WeakPolarHBondContact O-CD1 3.37Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.45Å; L1033-I1037 PolarHBondContact O-N 3.44Å |
| 1034 | T | 93.4 | Very high | 92.9 | Very high | 10 Ų | 10 | 12.7 Ų | 12.7 | 6% | 0.061 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.5 | -53.1 | -178.7 | 62.5 | 0 | 0 | 0 | 0 | 111 | H1031 C1032 A1036 I1037 I1038 L1088 L1091 V1092 | H1031-T1034 WeakPolarHBondContact O-CB 3.4Å; H1031-T1034 WeakPolarHBondContact O-CG2 3.36Å; H1031-T1034 PolarHBondContact O-N 2.63Å; H1031-T1034 PolarHBondContact O-OG1 2.88Å; C1032-T1034 PolarHBondContact O-N 3.19Å; T1034-A1036 VanDerWaalsContact C-N 3.28Å; T1034-A1036 PolarHBondContact O-N 3.36Å; T1034-I1037 PolarHBondContact O-N 3.3Å; T1034-I1038 WeakPolarHBondContact O-CG1 3.37Å; T1034-I1038 PolarHBondContact O-N 3.48Å; T1034-L1088 HydrophobicContact CG2-CD2 4.37Å; T1034-L1091 HydrophobicContact CG2-CB 3.65Å; T1034-V1092 HydrophobicContact CG2-CB 4.38Å; T1034-V1092 HydrophobicContact CG2-CG2 3.57Å |
| 1035 | K | 94.2 | Very high | 93.1 | Very high | 36 Ų | 36 | 9.3 Ų | 9.3 | 16% | 0.157 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59 | -39.5 | 175.2 | -166.4 | 172.4 | -61.7 | -71.5 | 0 | 112 | L915 A919 C1032 Q1039 E1095 | L915-K1035 HydrophobicContact CB-CD 4.19Å; L915-K1035 HydrophobicContact CB-CG 4.24Å; A919-K1035 HydrophobicContact CB-CD 4.37Å; C1032-K1035 PolarHBondContact O-N 3.12Å; K1035-Q1039 HydrophobicContact CG-CG 4.29Å; K1035-Q1039 VanDerWaalsContact O-CB 3.3Å; K1035-Q1039 WeakPolarHBondContact O-CB 3.37Å; K1035-Q1039 WeakPolarHBondContact O-CG 3.49Å; K1035-Q1039 PolarHBondContact O-N 3.03Å; K1035-E1095 HydrophobicContact CB-CG 4.08Å; K1035-E1095 HydrophobicContact CG-CG 4.5Å; K1035-E1095 WeakPolarHBondContact CG-OE1 3.43Å; K1035-E1095 IonicContact NZ-OE1 3.74Å; K1035-E1095 PolarHBondContact NZ-OE1 2.64Å; K1035-E1095 IonicContact NZ-OE2 3.06Å; K1035-E1095 PolarHBondContact NZ-OE2 3.43Å |
| 1036 | A | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.3 | -49.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M908 I911 C1032 L1033 T1034 I1038 V1040 | M908-A1036 VanDerWaalsContact CE-C 3.41Å; M908-A1036 HydrophobicContact CE-CB 3.41Å; M908-A1036 VanDerWaalsContact CE-CB 3.41Å; M908-A1036 WeakPolarHBondContact CE-O 3.49Å; M908-A1036 WeakPolarHBondContact O-CB 3.06Å; M908-A1036 HydrophobicContact SD-CB 4.39Å; I911-A1036 HydrophobicContact CB-CB 4.3Å; I911-A1036 HydrophobicContact CG2-CB 3.96Å; C1032-A1036 PolarHBondContact O-N 2.61Å; L1033-A1036 WeakPolarHBondContact O-CB 3.46Å; L1033-A1036 PolarHBondContact O-N 3.21Å; T1034-A1036 VanDerWaalsContact C-N 3.28Å; T1034-A1036 PolarHBondContact O-N 3.36Å; A1036-I1038 VanDerWaalsContact C-N 3.33Å; A1036-I1038 PolarHBondContact O-N 2.82Å; A1036-V1040 WeakPolarHBondContact O-CB 3.45Å; A1036-V1040 WeakPolarHBondContact O-CG2 3.29Å; A1036-V1040 PolarHBondContact O-N 2.71Å |
| 1037 | I | 95 | Very high | 93 | Very high | 4 Ų | 4 | 11.7 Ų | 11.7 | 2% | 0.021 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59 | -46.5 | -179.3 | -70.1 | 157.5 | 0 | 0 | 0 | 109.9 | M908 L1001 L1004 L1033 T1034 S1041 L1056 F1059 V1092 | M908-I1037 HydrophobicContact CE-CG1 4.36Å; L1001-I1037 HydrophobicContact CD2-CG2 4.29Å; L1004-I1037 HydrophobicContact CD1-CG1 4.44Å; L1033-I1037 HydrophobicContact CB-CD1 4.36Å; L1033-I1037 WeakPolarHBondContact O-CB 3.43Å; L1033-I1037 WeakPolarHBondContact O-CD1 3.37Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.45Å; L1033-I1037 PolarHBondContact O-N 3.44Å; T1034-I1037 PolarHBondContact O-N 3.3Å; I1037-S1041 WeakPolarHBondContact O-CB 3.41Å; I1037-S1041 PolarHBondContact O-N 3.47Å; I1037-S1041 PolarHBondContact O-OG 2.93Å; I1037-L1056 HydrophobicContact CG2-CD2 4.3Å; I1037-F1059 HydrophobicContact CD1-CE1 4.25Å; I1037-F1059 HydrophobicContact CD1-CE2 4.36Å; I1037-F1059 HydrophobicContact CD1-CZ 3.66Å; I1037-F1059 HydrophobicContact CG1-CZ 4.33Å; I1037-F1059 HydrophobicContact CG2-CD1 4.11Å; I1037-F1059 HydrophobicContact CG2-CE1 3.86Å; I1037-F1059 HydrophobicContact CG2-CE2 4.35Å; I1037-F1059 HydrophobicContact CG2-CG 4.48Å; I1037-F1059 HydrophobicContact CG2-CZ 4Å; I1037-V1092 HydrophobicContact CD1-CG2 4.45Å |
| 1038 | I | 95.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 10.5 Ų | 10.5 | 1% | 0.01 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -67.2 | -55.4 | -178.5 | -60.4 | -47 | 0 | 0 | 0 | 111.3 | T1034 A1036 S1041 A1042 L1056 V1092 E1095 F1098 L1099 | T1034-I1038 WeakPolarHBondContact O-CG1 3.37Å; T1034-I1038 PolarHBondContact O-N 3.48Å; A1036-I1038 VanDerWaalsContact C-N 3.33Å; A1036-I1038 PolarHBondContact O-N 2.82Å; I1038-S1041 PolarHBondContact O-N 3.2Å; I1038-A1042 WeakPolarHBondContact O-CB 3.39Å; I1038-A1042 PolarHBondContact O-N 3.03Å; I1038-L1056 HydrophobicContact CD1-CD1 4.01Å; I1038-L1056 HydrophobicContact CD1-CD2 3.91Å; I1038-V1092 HydrophobicContact CD1-CG1 4.11Å; I1038-E1095 HydrophobicContact CG1-CG 4.34Å; I1038-F1098 HydrophobicContact CG2-CD2 4.5Å; I1038-L1099 HydrophobicContact CD1-CD1 4.42Å |
| 1039 | Q | 94.5 | Very high | 93 | Very high | 30 Ų | 30 | 15 Ų | 15 | 14% | 0.14 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.5 | -40.2 | -172.5 | -69.1 | -68.2 | -24.2 | 0 | 0 | 112.9 | L915 L976 K1035 A1042 A1043 | L915-Q1039 HydrophobicContact CD1-CB 3.89Å; L915-Q1039 HydrophobicContact CD1-CG 4.5Å; L976-Q1039 HydrophobicContact CD2-CB 4.28Å; K1035-Q1039 HydrophobicContact CG-CG 4.29Å; K1035-Q1039 VanDerWaalsContact O-CB 3.3Å; K1035-Q1039 WeakPolarHBondContact O-CB 3.37Å; K1035-Q1039 WeakPolarHBondContact O-CG 3.49Å; K1035-Q1039 PolarHBondContact O-N 3.03Å; Q1039-A1042 PolarHBondContact O-N 3.16Å; Q1039-A1043 WeakPolarHBondContact O-CB 3.43Å; Q1039-A1043 PolarHBondContact O-N 3.13Å |
| 1040 | V | 94.7 | Very high | 92.8 | Very high | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.018 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.5 | -40 | 176.8 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | I864 M908 I911 A1036 A1043 L1044 | I864-V1040 HydrophobicContact CD1-CG1 4.17Å; I864-V1040 HydrophobicContact CD1-CG2 4.32Å; I864-V1040 HydrophobicContact CG1-CG1 4.48Å; M908-V1040 HydrophobicContact CE-CB 4.24Å; M908-V1040 HydrophobicContact CE-CG2 4.09Å; M908-V1040 HydrophobicContact SD-CG2 4.5Å; I911-V1040 HydrophobicContact CG2-CG2 3.79Å; A1036-V1040 WeakPolarHBondContact O-CB 3.45Å; A1036-V1040 WeakPolarHBondContact O-CG2 3.29Å; A1036-V1040 PolarHBondContact O-N 2.71Å; V1040-A1043 PolarHBondContact O-N 3.45Å; V1040-L1044 HydrophobicContact CG1-CD1 3.69Å; V1040-L1044 HydrophobicContact CG1-CG 4.24Å; V1040-L1044 WeakPolarHBondContact O-CB 3.43Å; V1040-L1044 VanDerWaalsContact O-CG 3.26Å; V1040-L1044 WeakPolarHBondContact O-CG 3.47Å; V1040-L1044 PolarHBondContact O-N 3.35Å |
| 1041 | S | 94 | Very high | 92.6 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 4% | 0.035 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.7 | -47.5 | 176 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | L1001 I1037 I1038 A1043 L1044 F1045 | L1001-S1041 WeakPolarHBondContact CD2-OG 3.19Å; I1037-S1041 WeakPolarHBondContact O-CB 3.41Å; I1037-S1041 PolarHBondContact O-N 3.47Å; I1037-S1041 PolarHBondContact O-OG 2.93Å; I1038-S1041 PolarHBondContact O-N 3.2Å; S1041-A1043 VanDerWaalsContact C-N 3.28Å; S1041-A1043 PolarHBondContact O-N 3.32Å; S1041-L1044 PolarHBondContact O-N 3.03Å; S1041-F1045 WeakPolarHBondContact O-CB 3.26Å; S1041-F1045 WeakPolarHBondContact O-CD2 3.17Å; S1041-F1045 PolarHBondContact O-N 2.74Å |
| 1042 | A | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.8 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I972 I1038 Q1039 T1046 I1052 F1098 | I972-A1042 HydrophobicContact CG1-CB 4.49Å; I1038-A1042 WeakPolarHBondContact O-CB 3.39Å; I1038-A1042 PolarHBondContact O-N 3.03Å; Q1039-A1042 PolarHBondContact O-N 3.16Å; A1042-T1046 WeakPolarHBondContact O-CB 3.5Å; A1042-T1046 PolarHBondContact O-N 3.21Å; A1042-T1046 PolarHBondContact O-OG1 3.3Å; A1042-I1052 HydrophobicContact CB-CD1 4.22Å; A1042-I1052 HydrophobicContact CB-CG2 4.29Å; A1042-F1098 HydrophobicContact CB-CE2 4.04Å; A1042-F1098 HydrophobicContact CB-CZ 4.42Å |
| 1043 | A | 93.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67 | -47.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L976 V977 I980 Q1039 V1040 S1041 L1047 | L976-A1043 HydrophobicContact CB-CB 4.28Å; L976-A1043 HydrophobicContact CD2-CB 3.8Å; L976-A1043 HydrophobicContact CG-CB 3.73Å; V977-A1043 HydrophobicContact CG2-CB 3.81Å; I980-A1043 HydrophobicContact CD1-CB 3.89Å; Q1039-A1043 WeakPolarHBondContact O-CB 3.43Å; Q1039-A1043 PolarHBondContact O-N 3.13Å; V1040-A1043 PolarHBondContact O-N 3.45Å; S1041-A1043 VanDerWaalsContact C-N 3.28Å; S1041-A1043 PolarHBondContact O-N 3.32Å; A1043-L1047 WeakPolarHBondContact O-CB 3.41Å; A1043-L1047 PolarHBondContact O-N 3.1Å |
| 1044 | L | 92.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63 | -49.5 | 179.6 | -72.9 | 170.8 | 0 | 0 | 0 | 111.7 | I980 A997 L1000 V1040 S1041 T1046 L1047 Y1048 | I980-L1044 HydrophobicContact CD1-CD2 4.35Å; I980-L1044 HydrophobicContact CG2-CD2 3.97Å; A997-L1044 HydrophobicContact CB-CB 4.26Å; A997-L1044 HydrophobicContact CB-CD1 4.03Å; L1000-L1044 HydrophobicContact CD2-CD1 4.37Å; V1040-L1044 HydrophobicContact CG1-CD1 3.69Å; V1040-L1044 HydrophobicContact CG1-CG 4.24Å; V1040-L1044 WeakPolarHBondContact O-CB 3.43Å; V1040-L1044 VanDerWaalsContact O-CG 3.26Å; V1040-L1044 WeakPolarHBondContact O-CG 3.47Å; V1040-L1044 PolarHBondContact O-N 3.35Å; S1041-L1044 PolarHBondContact O-N 3.03Å; L1044-T1046 VanDerWaalsContact C-N 3.33Å; L1044-T1046 PolarHBondContact O-N 3.46Å; L1044-L1047 WeakPolarHBondContact O-CB 3.49Å; L1044-L1047 PolarHBondContact O-N 2.89Å; L1044-Y1048 HydrophobicContact CB-CD2 4.47Å; L1044-Y1048 HydrophobicContact CB-CE2 4.16Å; L1044-Y1048 HydrophobicContact CD2-CE2 4.04Å; L1044-Y1048 WeakPolarHBondContact O-CD2 3.35Å; L1044-Y1048 WeakPolarHBondContact O-CE2 3.11Å; L1044-Y1048 PolarHBondContact O-N 2.7Å |
| 1045 | F | 92.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73.7 | -25.9 | -176.8 | -62.7 | -59.1 | 0 | 0 | 0 | 112.8 | Y994 A997 L1001 S1041 N1049 K1050 I1052 H1055 | Y994-F1045 HydrophobicContact CD2-CD1 4.3Å; Y994-F1045 HydrophobicContact CD2-CE1 4.24Å; Y994-F1045 AromaticContact CE2-CD1 3.99Å; Y994-F1045 HydrophobicContact CE2-CD1 3.99Å; Y994-F1045 AromaticContact CE2-CE1 3.91Å; Y994-F1045 HydrophobicContact CE2-CE1 3.91Å; A997-F1045 HydrophobicContact CB-CE1 4.22Å; A997-F1045 HydrophobicContact CB-CZ 4.44Å; L1001-F1045 HydrophobicContact CD1-CE2 3.61Å; L1001-F1045 HydrophobicContact CD1-CZ 3.84Å; L1001-F1045 HydrophobicContact CG-CE2 4.45Å; S1041-F1045 WeakPolarHBondContact O-CB 3.26Å; S1041-F1045 WeakPolarHBondContact O-CD2 3.17Å; S1041-F1045 PolarHBondContact O-N 2.74Å; F1045-N1049 PolarHBondContact O-N 3.14Å; F1045-N1049 VanDerWaalsContact O-N 3.14Å; F1045-K1050 HydrophobicContact CB-CB 4.32Å; F1045-K1050 HydrophobicContact CD1-CB 4.31Å; F1045-K1050 PolarHBondContact O-N 3.23Å; F1045-I1052 HydrophobicContact CB-CG1 4.07Å; F1045-H1055 AromaticContact CD1-CG 3.92Å; F1045-H1055 AromaticContact CD1-ND1 3.86Å; F1045-H1055 HydrophobicContact CD2-CB 3.85Å; F1045-H1055 HydrophobicContact CE1-CB 4.2Å; F1045-H1055 AromaticContact CE1-CD2 3.47Å; F1045-H1055 VanDerWaalsContact CE1-CD2 3.47Å; F1045-H1055 WeakPolarHBondContact CE1-CD2 3.49Å; F1045-H1055 AromaticContact CE1-CG 3.63Å; F1045-H1055 AromaticContact CE1-NE2 3.81Å; F1045-H1055 HydrophobicContact CE2-CB 3.48Å; F1045-H1055 VanDerWaalsContact CE2-CB 3.48Å; F1045-H1055 AromaticContact CE2-CG 3.84Å; F1045-H1055 HydrophobicContact CG-CB 4.41Å; F1045-H1055 HydrophobicContact CZ-CB 3.67Å; F1045-H1055 AromaticContact CZ-CD2 3.62Å; F1045-H1055 AromaticContact CZ-CG 3.61Å |
| 1046 | T | 91.3 | Very high | 92.3 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 8% | 0.08 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.4 | -46.1 | 166.9 | -58.6 | 0 | 0 | 0 | 0 | 111 | I953 L957 I972 A1042 L1044 Y1048 N1049 | I953-T1046 HydrophobicContact CG2-CG2 3.76Å; L957-T1046 HydrophobicContact CD2-CG2 4.49Å; I972-T1046 HydrophobicContact CD1-CG2 4.36Å; I972-T1046 WeakPolarHBondContact CD1-OG1 3.42Å; I972-T1046 HydrophobicContact CG2-CG2 4.26Å; A1042-T1046 WeakPolarHBondContact O-CB 3.5Å; A1042-T1046 PolarHBondContact O-N 3.21Å; A1042-T1046 PolarHBondContact O-OG1 3.3Å; L1044-T1046 VanDerWaalsContact C-N 3.33Å; L1044-T1046 PolarHBondContact O-N 3.46Å; T1046-Y1048 VanDerWaalsContact C-N 3.27Å; T1046-Y1048 PolarHBondContact O-N 3.46Å; T1046-N1049 PolarHBondContact O-N 3.11Å; T1046-N1049 VanDerWaalsContact O-N 3.08Å |
| 1047 | L | 88.8 | Confident | 92.2 | Very high | 38 Ų | 38 | 33.1 Ų | 33.1 | 20% | 0.199 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.4 | -36 | 178.4 | -177.6 | 66.5 | 0 | 0 | 0 | 112.7 | I980 A981 A1043 L1044 N1049 | I980-L1047 HydrophobicContact CG2-CD2 3.82Å; A981-L1047 HydrophobicContact CB-CD1 3.74Å; A1043-L1047 WeakPolarHBondContact O-CB 3.41Å; A1043-L1047 PolarHBondContact O-N 3.1Å; L1044-L1047 WeakPolarHBondContact O-CB 3.49Å; L1044-L1047 PolarHBondContact O-N 2.89Å; L1047-N1049 VanDerWaalsContact C-N 3.34Å |
| 1048 | Y | 88.6 | Confident | 92.1 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 2.9 | 178.6 | -58 | -52.7 | 0 | 0 | 0 | 114 | E993 Y994 A997 L1044 T1046 K1050 | E993-Y1048 HydrophobicContact CB-CE1 3.72Å; E993-Y1048 WeakPolarHBondContact CB-OH 3.36Å; E993-Y1048 PolarHBondContact OE2-OH 2.92Å; Y994-Y1048 HydrophobicContact CD2-CD2 4.29Å; Y994-Y1048 HydrophobicContact CD2-CG 4.4Å; A997-Y1048 HydrophobicContact CB-CD2 4.25Å; A997-Y1048 HydrophobicContact CB-CE2 3.79Å; L1044-Y1048 HydrophobicContact CB-CD2 4.47Å; L1044-Y1048 HydrophobicContact CB-CE2 4.16Å; L1044-Y1048 HydrophobicContact CD2-CE2 4.04Å; L1044-Y1048 WeakPolarHBondContact O-CD2 3.35Å; L1044-Y1048 WeakPolarHBondContact O-CE2 3.11Å; L1044-Y1048 PolarHBondContact O-N 2.7Å; T1046-Y1048 VanDerWaalsContact C-N 3.27Å; T1046-Y1048 PolarHBondContact O-N 3.46Å; Y1048-K1050 WeakPolarHBondContact O-CG 3.37Å |
| 1049 | N | 87.7 | Confident | 92.1 | Very high | 121 Ų | 121 | 35.1 Ų | 35.1 | 65% | 0.647 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 52.6 | -177.2 | -167.3 | 22.1 | 0 | 0 | 0 | 112.7 | I953 F1045 T1046 L1047 | I953-N1049 HydrophobicContact CD1-CB 4.41Å; I953-N1049 WeakPolarHBondContact CD1-OD1 3.48Å; F1045-N1049 PolarHBondContact O-N 3.14Å; F1045-N1049 VanDerWaalsContact O-N 3.14Å; T1046-N1049 PolarHBondContact O-N 3.11Å; T1046-N1049 VanDerWaalsContact O-N 3.08Å; L1047-N1049 VanDerWaalsContact C-N 3.34Å |
| 1050 | K | 89.9 | Confident | 92.1 | Very high | 101 Ų | 101 | 33.8 Ų | 33.8 | 44% | 0.439 | 17% | 0.17 | S | C | . | . | trans | -126.2 | 154.6 | -178.4 | -60.4 | -65.9 | -179.2 | -171.5 | 0 | 110.9 | Y994 F1045 Y1048 I1052 | Y994-K1050 HydrophobicContact CD2-CG 3.92Å; Y994-K1050 HydrophobicContact CE2-CB 4.13Å; Y994-K1050 HydrophobicContact CE2-CD 4.12Å; Y994-K1050 HydrophobicContact CE2-CG 3.51Å; F1045-K1050 HydrophobicContact CB-CB 4.32Å; F1045-K1050 HydrophobicContact CD1-CB 4.31Å; F1045-K1050 PolarHBondContact O-N 3.23Å; Y1048-K1050 WeakPolarHBondContact O-CG 3.37Å; K1050-I1052 PolarHBondContact O-N 3.05Å | ||
| 1051 | N | 88.8 | Confident | 92 | Very high | 92 Ų | 92 | 36.3 Ų | 36.3 | 49% | 0.492 | 19% | 0.185 | S | C | . | . | trans | -69.9 | 118.1 | 179.4 | -174.8 | -55.8 | 0 | 0 | 0 | 110.7 | E1053 T1054 H1055 | N1051-E1053 WeakPolarHBondContact OD1-CB 3.47Å; N1051-E1053 PolarHBondContact OD1-N 3.41Å; N1051-T1054 PolarHBondContact OD1-N 3.31Å; N1051-T1054 PolarHBondContact OD1-OG1 2.65Å; N1051-H1055 PolarHBondContact O-ND1 2.91Å | ||
| 1052 | I | 92 | Very high | 91.9 | Very high | 17 Ų | 17 | 36.1 Ų | 36.1 | 9% | 0.087 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.5 | -44.6 | -176.7 | -55.9 | 163.7 | 0 | 0 | 0 | 111.1 | I972 A1042 F1045 K1050 T1054 H1055 L1056 F1098 | I972-I1052 HydrophobicContact CD1-CD1 4.02Å; I972-I1052 HydrophobicContact CG1-CD1 4.06Å; A1042-I1052 HydrophobicContact CB-CD1 4.22Å; A1042-I1052 HydrophobicContact CB-CG2 4.29Å; F1045-I1052 HydrophobicContact CB-CG1 4.07Å; K1050-I1052 PolarHBondContact O-N 3.05Å; I1052-T1054 VanDerWaalsContact C-N 3.34Å; I1052-T1054 PolarHBondContact O-N 3.42Å; I1052-H1055 PolarHBondContact O-N 3.38Å; I1052-L1056 HydrophobicContact CG2-CD1 3.8Å; I1052-L1056 HydrophobicContact CG2-CG 4.29Å; I1052-L1056 PolarHBondContact O-N 3.28Å; I1052-F1098 HydrophobicContact CB-CD1 4.33Å; I1052-F1098 HydrophobicContact CB-CE1 4.26Å; I1052-F1098 HydrophobicContact CB-CZ 4.45Å; I1052-F1098 HydrophobicContact CD1-CE1 3.92Å; I1052-F1098 HydrophobicContact CD1-CE2 4.47Å; I1052-F1098 HydrophobicContact CD1-CZ 3.74Å; I1052-F1098 HydrophobicContact CG2-CD1 4.28Å; I1052-F1098 HydrophobicContact CG2-CD2 3.87Å; I1052-F1098 HydrophobicContact CG2-CE1 4.3Å; I1052-F1098 HydrophobicContact CG2-CE2 3.89Å; I1052-F1098 HydrophobicContact CG2-CG 4.07Å; I1052-F1098 HydrophobicContact CG2-CZ 4.11Å |
| 1053 | E | 92.2 | Very high | 91.9 | Very high | 69 Ų | 69 | 36.1 Ų | 36.1 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.4 | -43.1 | -177.8 | -178.9 | -174.7 | 156.3 | 0 | 0 | 111.7 | N1051 H1055 L1056 K1057 F1098 M1103 | N1051-E1053 WeakPolarHBondContact OD1-CB 3.47Å; N1051-E1053 PolarHBondContact OD1-N 3.41Å; E1053-H1055 VanDerWaalsContact C-N 3.31Å; E1053-H1055 PolarHBondContact O-N 3.25Å; E1053-L1056 PolarHBondContact O-N 3.16Å; E1053-K1057 HydrophobicContact CG-CD 4.1Å; E1053-K1057 HydrophobicContact CG-CG 4.47Å; E1053-K1057 WeakPolarHBondContact O-CB 3.44Å; E1053-K1057 VanDerWaalsContact O-CG 3.32Å; E1053-K1057 WeakPolarHBondContact O-CG 3.48Å; E1053-K1057 PolarHBondContact O-N 2.65Å; E1053-K1057 WeakPolarHBondContact OE1-CE 3.31Å; E1053-K1057 IonicContact OE1-NZ 3.52Å; E1053-K1057 PolarHBondContact OE1-NZ 3.38Å; E1053-F1098 HydrophobicContact CB-CB 4.4Å; E1053-M1103 WeakPolarHBondContact OE1-CE 3.44Å |
| 1054 | T | 92.4 | Very high | 91.8 | Very high | 82 Ų | 82 | 36.1 Ų | 36.1 | 50% | 0.503 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.4 | -42.2 | 178.3 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | N1051 I1052 E1058 | N1051-T1054 PolarHBondContact OD1-N 3.31Å; N1051-T1054 PolarHBondContact OD1-OG1 2.65Å; I1052-T1054 VanDerWaalsContact C-N 3.34Å; I1052-T1054 PolarHBondContact O-N 3.42Å; T1054-E1058 PolarHBondContact O-N 3.29Å; T1054-E1058 VanDerWaalsContact O-N 3.13Å |
| 1055 | H | 93.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.046 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -76.6 | -37.5 | -177.6 | -67.2 | 88.4 | 0 | 0 | 0 | 112.2 | Y994 L1001 F1045 N1051 I1052 E1053 K1057 E1058 F1059 | Y994-H1055 AromaticContact CE2-CE1 3.94Å; Y994-H1055 AromaticContact CE2-NE2 3.56Å; Y994-H1055 AromaticContact CZ-NE2 3.59Å; Y994-H1055 PolarHBondContact OH-CE1 3.3Å; Y994-H1055 PolarHBondContact OH-NE2 3.09Å; L1001-H1055 HydrophobicContact CD1-CB 3.97Å; F1045-H1055 AromaticContact CD1-CG 3.92Å; F1045-H1055 AromaticContact CD1-ND1 3.86Å; F1045-H1055 HydrophobicContact CD2-CB 3.85Å; F1045-H1055 HydrophobicContact CE1-CB 4.2Å; F1045-H1055 AromaticContact CE1-CD2 3.47Å; F1045-H1055 VanDerWaalsContact CE1-CD2 3.47Å; F1045-H1055 WeakPolarHBondContact CE1-CD2 3.49Å; F1045-H1055 AromaticContact CE1-CG 3.63Å; F1045-H1055 AromaticContact CE1-NE2 3.81Å; F1045-H1055 HydrophobicContact CE2-CB 3.48Å; F1045-H1055 VanDerWaalsContact CE2-CB 3.48Å; F1045-H1055 AromaticContact CE2-CG 3.84Å; F1045-H1055 HydrophobicContact CG-CB 4.41Å; F1045-H1055 HydrophobicContact CZ-CB 3.67Å; F1045-H1055 AromaticContact CZ-CD2 3.62Å; F1045-H1055 AromaticContact CZ-CG 3.61Å; N1051-H1055 PolarHBondContact O-ND1 2.91Å; I1052-H1055 PolarHBondContact O-N 3.38Å; E1053-H1055 VanDerWaalsContact C-N 3.31Å; E1053-H1055 PolarHBondContact O-N 3.25Å; H1055-K1057 VanDerWaalsContact C-N 3.34Å; H1055-E1058 PolarHBondContact O-N 3.31Å; H1055-F1059 PolarHBondContact O-N 3.44Å |
| 1056 | L | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.9 | -34.3 | 174 | -73.3 | 176.9 | 0 | 0 | 0 | 112 | I1037 I1038 I1052 E1053 F1059 L1060 F1098 L1099 | I1037-L1056 HydrophobicContact CG2-CD2 4.3Å; I1038-L1056 HydrophobicContact CD1-CD1 4.01Å; I1038-L1056 HydrophobicContact CD1-CD2 3.91Å; I1052-L1056 HydrophobicContact CG2-CD1 3.8Å; I1052-L1056 HydrophobicContact CG2-CG 4.29Å; I1052-L1056 PolarHBondContact O-N 3.28Å; E1053-L1056 PolarHBondContact O-N 3.16Å; L1056-F1059 WeakPolarHBondContact O-CB 3.39Å; L1056-F1059 PolarHBondContact O-N 3.38Å; L1056-L1060 WeakPolarHBondContact O-CB 3.47Å; L1056-L1060 PolarHBondContact O-N 3.16Å; L1056-F1098 HydrophobicContact CD1-CB 3.86Å; L1056-F1098 HydrophobicContact CD1-CD2 3.69Å; L1056-F1098 HydrophobicContact CD1-CG 4.09Å; L1056-L1099 HydrophobicContact CB-CD1 4.22Å; L1056-L1099 HydrophobicContact CB-CD2 3.88Å; L1056-L1099 HydrophobicContact CB-CG 4.1Å |
| 1057 | K | 93.1 | Very high | 91.4 | Very high | 79 Ų | 79 | 38.1 Ų | 38.1 | 34% | 0.343 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 170.5 | -80 | 173.9 | 170.2 | 172 | 0 | 111.9 | E1053 H1055 L1060 V1061 L1099 M1103 | E1053-K1057 HydrophobicContact CG-CD 4.1Å; E1053-K1057 HydrophobicContact CG-CG 4.47Å; E1053-K1057 WeakPolarHBondContact O-CB 3.44Å; E1053-K1057 VanDerWaalsContact O-CG 3.32Å; E1053-K1057 WeakPolarHBondContact O-CG 3.48Å; E1053-K1057 PolarHBondContact O-N 2.65Å; E1053-K1057 WeakPolarHBondContact OE1-CE 3.31Å; E1053-K1057 IonicContact OE1-NZ 3.52Å; E1053-K1057 PolarHBondContact OE1-NZ 3.38Å; H1055-K1057 VanDerWaalsContact C-N 3.34Å; K1057-L1060 PolarHBondContact O-N 2.96Å; K1057-V1061 WeakPolarHBondContact O-CG2 3.27Å; K1057-V1061 PolarHBondContact O-N 3.45Å; K1057-L1099 HydrophobicContact CG-CD2 4.17Å; K1057-M1103 HydrophobicContact CD-SD 4.32Å; K1057-M1103 WeakPolarHBondContact CE-SD 3.34Å; K1057-M1103 HydrophobicContact CG-SD 4.16Å |
| 1058 | E | 93.8 | Very high | 91.5 | Very high | 47 Ų | 47 | 39.2 Ų | 39.2 | 22% | 0.22 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.3 | -47.3 | 175.3 | -175.2 | 179.3 | -164.8 | 0 | 0 | 111.1 | R882 I1002 T1054 H1055 L1060 V1061 V1062 | R882-E1058 IonicContact CZ-OE1 2.92Å; R882-E1058 IonicContact CZ-OE2 2.99Å; R882-E1058 IonicContact NE-OE1 3.19Å; R882-E1058 PolarHBondContact NE-OE1 3.34Å; R882-E1058 IonicContact NE-OE2 2.8Å; R882-E1058 IonicContact NH2-OE1 3.52Å; R882-E1058 PolarHBondContact NH2-OE1 2.96Å; R882-E1058 IonicContact NH2-OE2 2.77Å; R882-E1058 PolarHBondContact NH2-OE2 2.83Å; I1002-E1058 HydrophobicContact CD1-CG 4.27Å; T1054-E1058 PolarHBondContact O-N 3.29Å; T1054-E1058 VanDerWaalsContact O-N 3.13Å; H1055-E1058 PolarHBondContact O-N 3.31Å; E1058-L1060 VanDerWaalsContact C-N 3.32Å; E1058-L1060 PolarHBondContact O-N 2.99Å; E1058-V1061 PolarHBondContact O-N 3.08Å; E1058-V1062 WeakPolarHBondContact O-CG2 3.46Å; E1058-V1062 PolarHBondContact O-N 3.47Å |
| 1059 | F | 94.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.6 | -48.4 | 173.1 | 170.2 | -94.8 | 0 | 0 | 0 | 111.7 | L1001 L1004 A1005 L1008 I1037 H1055 L1056 V1061 V1062 A1063 V1092 | L1001-F1059 HydrophobicContact CB-CB 4.35Å; L1001-F1059 HydrophobicContact CB-CD2 4.28Å; L1001-F1059 HydrophobicContact CD1-CB 4.26Å; L1001-F1059 HydrophobicContact CD2-CB 4.16Å; L1001-F1059 HydrophobicContact CD2-CD2 3.85Å; L1001-F1059 HydrophobicContact CD2-CG 4.12Å; L1001-F1059 WeakPolarHBondContact O-CD2 3.46Å; L1004-F1059 HydrophobicContact CB-CE2 3.99Å; A1005-F1059 HydrophobicContact CB-CD2 3.76Å; A1005-F1059 HydrophobicContact CB-CE2 3.79Å; L1008-F1059 HydrophobicContact CD1-CZ 4.26Å; I1037-F1059 HydrophobicContact CD1-CE1 4.25Å; I1037-F1059 HydrophobicContact CD1-CE2 4.36Å; I1037-F1059 HydrophobicContact CD1-CZ 3.66Å; I1037-F1059 HydrophobicContact CG1-CZ 4.33Å; I1037-F1059 HydrophobicContact CG2-CD1 4.11Å; I1037-F1059 HydrophobicContact CG2-CE1 3.86Å; I1037-F1059 HydrophobicContact CG2-CE2 4.35Å; I1037-F1059 HydrophobicContact CG2-CG 4.48Å; I1037-F1059 HydrophobicContact CG2-CZ 4Å; H1055-F1059 PolarHBondContact O-N 3.44Å; L1056-F1059 WeakPolarHBondContact O-CB 3.39Å; L1056-F1059 PolarHBondContact O-N 3.38Å; F1059-V1061 PolarHBondContact O-N 3.02Å; F1059-V1062 PolarHBondContact O-N 3.15Å; F1059-A1063 HydrophobicContact CE1-CB 4.35Å; F1059-A1063 HydrophobicContact CZ-CB 4.28Å; F1059-A1063 VanDerWaalsContact O-CB 3.22Å; F1059-A1063 WeakPolarHBondContact O-CB 3.32Å; F1059-A1063 PolarHBondContact O-N 2.94Å; F1059-V1092 HydrophobicContact CE1-CG1 4.23Å |
| 1060 | L | 93.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | -177.5 | -167.3 | 71.3 | 0 | 0 | 0 | 111.8 | L1056 K1057 E1058 S1064 M1089 V1093 L1099 M1103 L1104 | L1056-L1060 WeakPolarHBondContact O-CB 3.47Å; L1056-L1060 PolarHBondContact O-N 3.16Å; K1057-L1060 PolarHBondContact O-N 2.96Å; E1058-L1060 VanDerWaalsContact C-N 3.32Å; E1058-L1060 PolarHBondContact O-N 2.99Å; L1060-S1064 VanDerWaalsContact O-CB 3.26Å; L1060-S1064 WeakPolarHBondContact O-CB 3.41Å; L1060-S1064 PolarHBondContact O-N 3.06Å; L1060-S1064 PolarHBondContact O-OG 3.17Å; L1060-M1089 HydrophobicContact CD1-CE 3.52Å; L1060-M1089 HydrophobicContact CG-CE 4.24Å; L1060-V1093 HydrophobicContact CD1-CG2 3.96Å; L1060-V1093 HydrophobicContact CD2-CG2 4.39Å; L1060-L1099 HydrophobicContact CD1-CD1 4.34Å; L1060-L1099 HydrophobicContact CD2-CD2 4.34Å; L1060-M1103 HydrophobicContact CD2-CB 4.38Å; L1060-L1104 HydrophobicContact CD1-CD1 4.02Å; L1060-L1104 HydrophobicContact CD2-CB 4.45Å; L1060-L1104 HydrophobicContact CD2-CD1 4.44Å; L1060-L1104 HydrophobicContact CG-CD1 4.42Å |
| 1061 | V | 93.2 | Very high | 90.7 | Very high | 56 Ų | 56 | 32.5 Ų | 32.5 | 34% | 0.339 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64 | -48.7 | 177.4 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | F885 K1057 E1058 F1059 S1064 V1065 C1107 | F885-V1061 HydrophobicContact CE2-CG1 4.05Å; K1057-V1061 WeakPolarHBondContact O-CG2 3.27Å; K1057-V1061 PolarHBondContact O-N 3.45Å; E1058-V1061 PolarHBondContact O-N 3.08Å; F1059-V1061 PolarHBondContact O-N 3.02Å; V1061-S1064 PolarHBondContact O-N 3.22Å; V1061-V1065 WeakPolarHBondContact O-CG2 3.39Å; V1061-V1065 PolarHBondContact O-N 3.41Å; V1061-C1107 HydrophobicContact CG2-CB 4.34Å |
| 1062 | V | 91.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.2 | -43.9 | -178.4 | 178 | 0 | 0 | 0 | 0 | 110.9 | F885 I1002 A1005 V1006 E1058 F1059 S1064 V1065 S1066 | F885-V1062 HydrophobicContact CB-CG2 4.44Å; F885-V1062 HydrophobicContact CD1-CG2 4.21Å; F885-V1062 HydrophobicContact CD2-CG2 4.3Å; F885-V1062 HydrophobicContact CG-CG2 4.07Å; I1002-V1062 HydrophobicContact CD1-CG2 4Å; A1005-V1062 HydrophobicContact CB-CB 3.94Å; A1005-V1062 HydrophobicContact CB-CG1 3.69Å; V1006-V1062 HydrophobicContact CG1-CG1 3.87Å; E1058-V1062 WeakPolarHBondContact O-CG2 3.46Å; E1058-V1062 PolarHBondContact O-N 3.47Å; F1059-V1062 PolarHBondContact O-N 3.15Å; V1062-S1064 VanDerWaalsContact C-N 3.33Å; V1062-S1064 PolarHBondContact O-N 2.99Å; V1062-V1065 PolarHBondContact O-N 3.23Å; V1062-S1066 PolarHBondContact O-N 2.73Å; V1062-S1066 PolarHBondContact O-OG 2.82Å |
| 1063 | A | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1005 L1008 F1059 S1066 L1067 M1089 | A1005-A1063 HydrophobicContact CB-CB 4Å; L1008-A1063 HydrophobicContact CD1-CB 3.93Å; F1059-A1063 HydrophobicContact CE1-CB 4.35Å; F1059-A1063 HydrophobicContact CZ-CB 4.28Å; F1059-A1063 VanDerWaalsContact O-CB 3.22Å; F1059-A1063 WeakPolarHBondContact O-CB 3.32Å; F1059-A1063 PolarHBondContact O-N 2.94Å; A1063-S1066 PolarHBondContact O-N 2.96Å; A1063-L1067 WeakPolarHBondContact O-CG 3.43Å; A1063-L1067 PolarHBondContact O-N 2.9Å; A1063-M1089 HydrophobicContact CB-CE 3.99Å; A1063-M1089 HydrophobicContact CB-SD 3.89Å |
| 1064 | S | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.2 | -46 | 176.4 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | L1060 V1061 V1062 S1066 L1067 L1068 M1089 C1107 | L1060-S1064 VanDerWaalsContact O-CB 3.26Å; L1060-S1064 WeakPolarHBondContact O-CB 3.41Å; L1060-S1064 PolarHBondContact O-N 3.06Å; L1060-S1064 PolarHBondContact O-OG 3.17Å; V1061-S1064 PolarHBondContact O-N 3.22Å; V1062-S1064 VanDerWaalsContact C-N 3.33Å; V1062-S1064 PolarHBondContact O-N 2.99Å; S1064-S1066 PolarHBondContact O-N 2.91Å; S1064-L1067 PolarHBondContact O-N 2.83Å; S1064-L1068 WeakPolarHBondContact O-CB 3.46Å; S1064-L1068 WeakPolarHBondContact O-CG 3.28Å; S1064-L1068 PolarHBondContact O-N 2.99Å; S1064-M1089 WeakPolarHBondContact OG-CE 3.46Å; S1064-C1107 WeakPolarHBondContact CB-O 3.47Å; S1064-C1107 PolarHBondContact OG-SG 3.03Å; S1064-C1107 VanDerWaalsContact OG-SG 3.36Å |
| 1065 | V | 90.4 | Very high | 88.8 | Confident | 44 Ų | 44 | 40 Ų | 40 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 176.7 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | V1061 V1062 L1067 L1068 Q1069 | V1061-V1065 WeakPolarHBondContact O-CG2 3.39Å; V1061-V1065 PolarHBondContact O-N 3.41Å; V1062-V1065 PolarHBondContact O-N 3.23Å; V1065-L1067 PolarHBondContact O-N 3.32Å; V1065-L1068 PolarHBondContact O-N 2.82Å; V1065-Q1069 VanDerWaalsContact O-CG 3.31Å; V1065-Q1069 WeakPolarHBondContact O-CG 3.35Å; V1065-Q1069 PolarHBondContact O-N 3.26Å |
| 1066 | S | 88.6 | Confident | 88.1 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 178.8 | -64 | 0 | 0 | 0 | 0 | 113 | V1062 A1063 S1064 L1070 | V1062-S1066 PolarHBondContact O-N 2.73Å; V1062-S1066 PolarHBondContact O-OG 2.82Å; A1063-S1066 PolarHBondContact O-N 2.96Å; S1064-S1066 PolarHBondContact O-N 2.91Å; S1066-L1070 PolarHBondContact O-N 2.77Å |
| 1067 | L | 89.4 | Confident | 87.3 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -75.7 | -33 | 177.5 | -68.9 | 173.8 | 0 | 0 | 0 | 113.1 | L1008 P1009 A1063 S1064 V1065 Q1069 L1070 G1071 I1085 M1089 F1108 | L1008-L1067 HydrophobicContact CB-CD2 4.38Å; P1009-L1067 HydrophobicContact CG-CD2 4.28Å; A1063-L1067 WeakPolarHBondContact O-CG 3.43Å; A1063-L1067 PolarHBondContact O-N 2.9Å; S1064-L1067 PolarHBondContact O-N 2.83Å; V1065-L1067 PolarHBondContact O-N 3.32Å; L1067-Q1069 VanDerWaalsContact C-N 3.34Å; L1067-L1070 WeakPolarHBondContact O-CB 3.21Å; L1067-L1070 PolarHBondContact O-N 2.92Å; L1067-G1071 PolarHBondContact O-N 3.19Å; L1067-G1071 VanDerWaalsContact O-N 3.09Å; L1067-I1085 HydrophobicContact CD2-CG2 3.67Å; L1067-M1089 HydrophobicContact CD1-CG 3.4Å; L1067-M1089 VanDerWaalsContact CD1-CG 3.4Å; L1067-M1089 HydrophobicContact CD1-SD 3.66Å; L1067-F1108 HydrophobicContact CB-CE2 4.09Å |
| 1068 | L | 89 | Confident | 86.5 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.2 | -35.9 | 173.3 | -73.1 | 171.5 | 0 | 0 | 0 | 111.8 | S1064 V1065 G1071 F1108 L1112 | S1064-L1068 WeakPolarHBondContact O-CB 3.46Å; S1064-L1068 WeakPolarHBondContact O-CG 3.28Å; S1064-L1068 PolarHBondContact O-N 2.99Å; V1065-L1068 PolarHBondContact O-N 2.82Å; L1068-G1071 WeakPolarHBondContact O-CA 3.46Å; L1068-G1071 PolarHBondContact O-N 3.11Å; L1068-F1108 HydrophobicContact CD1-CD2 4.39Å; L1068-F1108 HydrophobicContact CD2-CD2 4.01Å; L1068-F1108 HydrophobicContact CD2-CE2 3.85Å; L1068-F1108 HydrophobicContact CG-CD2 3.87Å; L1068-F1108 HydrophobicContact CG-CE2 3.95Å; L1068-L1112 HydrophobicContact CD2-CD1 3.56Å |
| 1069 | Q | 85.6 | Confident | 85.9 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 24% | 0.243 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 171.6 | -74.8 | 173.6 | -2.5 | 0 | 0 | 111.6 | V1065 L1067 G1071 Q1072 | V1065-Q1069 VanDerWaalsContact O-CG 3.31Å; V1065-Q1069 WeakPolarHBondContact O-CG 3.35Å; V1065-Q1069 PolarHBondContact O-N 3.26Å; L1067-Q1069 VanDerWaalsContact C-N 3.34Å; Q1069-G1071 PolarHBondContact O-N 3.48Å; Q1069-Q1072 PolarHBondContact O-N 3.01Å |
| 1070 | L | 84.4 | Confident | 85.3 | Confident | 17 Ų | 17 | 61.2 Ų | 61.2 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.5 | -28.8 | 170.7 | -176.6 | 68 | 0 | 0 | 0 | 112.3 | P1009 A1012 S1066 L1067 Q1072 E1073 T1079 R1082 | P1009-L1070 HydrophobicContact CB-CB 4.45Å; P1009-L1070 HydrophobicContact CB-CD2 4.21Å; A1012-L1070 HydrophobicContact CB-CD2 3.72Å; S1066-L1070 PolarHBondContact O-N 2.77Å; L1067-L1070 WeakPolarHBondContact O-CB 3.21Å; L1067-L1070 PolarHBondContact O-N 2.92Å; L1070-Q1072 PolarHBondContact O-N 3.31Å; L1070-E1073 HydrophobicContact CD1-CB 4.39Å; L1070-E1073 WeakPolarHBondContact O-CB 3.22Å; L1070-E1073 PolarHBondContact O-N 2.9Å; L1070-T1079 HydrophobicContact CD1-CG2 4.24Å; L1070-R1082 HydrophobicContact CD2-CB 4.41Å; L1070-R1082 HydrophobicContact CD2-CG 4.05Å; L1070-R1082 HydrophobicContact CG-CG 4.18Å |
| 1071 | G | 81 | Confident | 85 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 37% | 0.371 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60 | -26.8 | 172 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1067 L1068 Q1069 R1082 | L1067-G1071 PolarHBondContact O-N 3.19Å; L1067-G1071 VanDerWaalsContact O-N 3.09Å; L1068-G1071 WeakPolarHBondContact O-CA 3.46Å; L1068-G1071 PolarHBondContact O-N 3.11Å; Q1069-G1071 PolarHBondContact O-N 3.48Å; G1071-R1082 PolarHBondContact O-NH1 2.99Å; G1071-R1082 VanDerWaalsContact O-NH1 3.13Å |
| 1072 | Q | 82.7 | Confident | 84.8 | Confident | 161 Ų | 161 | 62.6 Ų | 62.6 | 75% | 0.752 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -93.1 | -11.1 | -179.4 | -59.4 | 177.6 | -1.5 | 0 | 0 | 113.1 | Q1069 L1070 | Q1069-Q1072 PolarHBondContact O-N 3.01Å; L1070-Q1072 PolarHBondContact O-N 3.31Å |
| 1073 | E | 81.2 | Confident | 84.6 | Confident | 72 Ų | 72 | 65.3 Ų | 65.3 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | trans | -69.1 | 135.8 | 177.9 | -176.1 | 62.8 | -88.2 | 0 | 0 | 110.6 | L1070 D1075 K1078 T1079 | L1070-E1073 HydrophobicContact CD1-CB 4.39Å; L1070-E1073 WeakPolarHBondContact O-CB 3.22Å; L1070-E1073 PolarHBondContact O-N 2.9Å; E1073-D1075 HydrophobicContact CG-CB 4.24Å; E1073-K1078 HydrophobicContact CG-CB 4.03Å; E1073-K1078 HydrophobicContact CG-CD 4.27Å; E1073-K1078 IonicContact OE2-NZ 2.98Å; E1073-T1079 HydrophobicContact CB-CG2 3.8Å; E1073-T1079 HydrophobicContact CG-CG2 3.95Å; E1073-T1079 WeakPolarHBondContact O-CG2 3.43Å | ||
| 1074 | T | 79.3 | Confident | 84.5 | Confident | 127 Ų | 127 | 65.5 Ų | 65.5 | 78% | 0.779 | 33% | 0.325 | S | S | * | . | trans | -104 | -11.6 | -176.6 | 56.8 | 0 | 0 | 0 | 0 | 113 | K1076 | T1074-K1076 PolarHBondContact O-N 2.91Š| ||
| 1075 | D | 82.8 | Confident | 84.5 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 32% | 0.316 | 33% | 0.325 | S | S | . | . | trans | -68.4 | 114.6 | 176.1 | -175.7 | -8 | 0 | 0 | 0 | 111 | E1073 L1077 K1078 T1079 | E1073-D1075 HydrophobicContact CG-CB 4.24Å; D1075-L1077 PolarHBondContact O-N 2.92Å; D1075-L1077 WeakPolarHBondContact OD1-CB 3.03Å; D1075-L1077 PolarHBondContact OD1-N 3.18Å; D1075-K1078 HydrophobicContact CB-CB 4.1Å; D1075-K1078 HydrophobicContact CB-CD 4.13Å; D1075-K1078 HydrophobicContact CB-CG 4.18Å; D1075-K1078 PolarHBondContact O-N 3.12Å; D1075-K1078 WeakPolarHBondContact OD2-CG 3.38Å; D1075-T1079 WeakPolarHBondContact O-CB 3.34Å; D1075-T1079 PolarHBondContact O-N 3.33Å; D1075-T1079 PolarHBondContact O-OG1 3.19Å | ||
| 1076 | K | 78.1 | Confident | 84.5 | Confident | 181 Ų | 181 | 64 Ų | 64 | 79% | 0.787 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -25.1 | -179.8 | -67.2 | -171.4 | 178.9 | -177.7 | 0 | 113.5 | T1074 R1080 | T1074-K1076 PolarHBondContact O-N 2.91Å; K1076-R1080 PolarHBondContact O-N 3.39Å |
| 1077 | L | 76 | Confident | 84.6 | Confident | 133 Ų | 133 | 63.6 Ų | 63.6 | 70% | 0.696 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -40.9 | 176.2 | -76.3 | 159.8 | 0 | 0 | 0 | 111 | D1075 | D1075-L1077 PolarHBondContact O-N 2.92Å; D1075-L1077 WeakPolarHBondContact OD1-CB 3.03Å; D1075-L1077 PolarHBondContact OD1-N 3.18Å |
| 1078 | K | 76.4 | Confident | 84.6 | Confident | 102 Ų | 102 | 63.5 Ų | 63.5 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -25.9 | 177 | -67.3 | -179.1 | -176.5 | 179.3 | 0 | 113.5 | A1012 E1073 D1075 | A1012-K1078 WeakPolarHBondContact CB-O 3.45Å; E1073-K1078 HydrophobicContact CG-CB 4.03Å; E1073-K1078 HydrophobicContact CG-CD 4.27Å; E1073-K1078 IonicContact OE2-NZ 2.98Å; D1075-K1078 HydrophobicContact CB-CB 4.1Å; D1075-K1078 HydrophobicContact CB-CD 4.13Å; D1075-K1078 HydrophobicContact CB-CG 4.18Å; D1075-K1078 PolarHBondContact O-N 3.12Å; D1075-K1078 WeakPolarHBondContact OD2-CG 3.38Å |
| 1079 | T | 81.8 | Confident | 84.7 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 13% | 0.129 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 11.1 | -178.9 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | L1070 E1073 D1075 N1081 R1082 | L1070-T1079 HydrophobicContact CD1-CG2 4.24Å; E1073-T1079 HydrophobicContact CB-CG2 3.8Å; E1073-T1079 HydrophobicContact CG-CG2 3.95Å; E1073-T1079 WeakPolarHBondContact O-CG2 3.43Å; D1075-T1079 WeakPolarHBondContact O-CB 3.34Å; D1075-T1079 PolarHBondContact O-N 3.33Å; D1075-T1079 PolarHBondContact O-OG1 3.19Å; T1079-N1081 PolarHBondContact O-N 3Å; T1079-R1082 VanDerWaalsContact O-CB 3.3Å; T1079-R1082 WeakPolarHBondContact O-CB 3.49Å; T1079-R1082 PolarHBondContact O-N 3.28Å; T1079-R1082 VanDerWaalsContact O-N 3.16Å |
| 1080 | R | 82.9 | Confident | 85 | Confident | 145 Ų | 145 | 60.9 Ų | 60.9 | 55% | 0.547 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -48.1 | -171 | -178.4 | -178.8 | -178.7 | 173 | 2.4 | 114.4 | K1076 | K1076-R1080 PolarHBondContact O-N 3.39Š|
| 1081 | N | 87.5 | Confident | 85.3 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 24.5 | -179.3 | -74.8 | -35 | 0 | 0 | 0 | 112.6 | A1012 D1014 T1079 E1083 S1084 I1085 | A1012-N1081 PolarHBondContact O-N 2.98Å; D1014-N1081 PolarHBondContact O-ND2 3.45Å; T1079-N1081 PolarHBondContact O-N 3Å; N1081-E1083 VanDerWaalsContact C-N 3.34Å; N1081-E1083 PolarHBondContact O-N 3.46Å; N1081-S1084 WeakPolarHBondContact O-CA 3.38Å; N1081-S1084 WeakPolarHBondContact O-CB 3.34Å; N1081-S1084 PolarHBondContact O-N 3.22Å; N1081-I1085 WeakPolarHBondContact O-CG1 3.27Å; N1081-I1085 PolarHBondContact O-N 3.22Å |
| 1082 | R | 87.7 | Confident | 85.9 | Confident | 73 Ų | 73 | 59.8 Ų | 59.8 | 28% | 0.275 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -53.7 | -46.4 | -173.5 | 178.9 | -173.9 | 65.4 | 175 | 1.6 | 113.3 | L1070 G1071 T1079 S1084 I1085 S1086 | L1070-R1082 HydrophobicContact CD2-CB 4.41Å; L1070-R1082 HydrophobicContact CD2-CG 4.05Å; L1070-R1082 HydrophobicContact CG-CG 4.18Å; G1071-R1082 PolarHBondContact O-NH1 2.99Å; G1071-R1082 VanDerWaalsContact O-NH1 3.13Å; T1079-R1082 VanDerWaalsContact O-CB 3.3Å; T1079-R1082 WeakPolarHBondContact O-CB 3.49Å; T1079-R1082 PolarHBondContact O-N 3.28Å; T1079-R1082 VanDerWaalsContact O-N 3.16Å; R1082-S1084 VanDerWaalsContact C-N 3.3Å; R1082-S1084 PolarHBondContact O-N 3.49Å; R1082-I1085 PolarHBondContact O-N 2.94Å; R1082-S1086 PolarHBondContact O-N 3.45Å; R1082-S1086 PolarHBondContact O-OG 3.17Å |
| 1083 | E | 87.6 | Confident | 86.3 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 28% | 0.276 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 178.8 | -66.6 | 72.6 | -155.1 | 0 | 0 | 110.6 | N1081 S1086 A1116 | N1081-E1083 VanDerWaalsContact C-N 3.34Å; N1081-E1083 PolarHBondContact O-N 3.46Å; E1083-S1086 WeakPolarHBondContact O-CB 3.26Å; E1083-S1086 PolarHBondContact O-N 3.05Å; E1083-A1116 HydrophobicContact CB-CB 3.96Å; E1083-A1116 VanDerWaalsContact O-CB 3.29Å; E1083-A1116 WeakPolarHBondContact O-CB 3.45Å |
| 1084 | S | 89.8 | Confident | 86.8 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 177.3 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | S1017 Y1019 Y1026 N1081 R1082 S1086 L1087 | S1017-S1084 VanDerWaalsContact O-CB 3.29Å; S1017-S1084 WeakPolarHBondContact O-CB 3.41Å; Y1019-S1084 PolarHBondContact N-OG 3.25Å; Y1019-S1084 VanDerWaalsContact N-OG 3.09Å; Y1026-S1084 WeakPolarHBondContact CE1-O 3.42Å; Y1026-S1084 PolarHBondContact OH-O 3.11Å; N1081-S1084 WeakPolarHBondContact O-CA 3.38Å; N1081-S1084 WeakPolarHBondContact O-CB 3.34Å; N1081-S1084 PolarHBondContact O-N 3.22Å; R1082-S1084 VanDerWaalsContact C-N 3.3Å; R1082-S1084 PolarHBondContact O-N 3.49Å; S1084-S1086 VanDerWaalsContact C-N 3.31Å; S1084-S1086 PolarHBondContact O-N 2.98Å; S1084-L1087 WeakPolarHBondContact O-CB 3.29Å; S1084-L1087 PolarHBondContact O-N 2.89Å |
| 1085 | I | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.9 | -34.6 | 178.5 | -58.1 | -49 | 0 | 0 | 0 | 111.9 | L1011 A1012 I1030 L1067 N1081 R1082 L1087 L1088 | L1011-I1085 HydrophobicContact CB-CD1 3.47Å; L1011-I1085 VanDerWaalsContact CB-CD1 3.47Å; L1011-I1085 HydrophobicContact CB-CG1 4.07Å; A1012-I1085 HydrophobicContact CB-CG1 4.02Å; I1030-I1085 HydrophobicContact CD1-CD1 3.66Å; L1067-I1085 HydrophobicContact CD2-CG2 3.67Å; N1081-I1085 WeakPolarHBondContact O-CG1 3.27Å; N1081-I1085 PolarHBondContact O-N 3.22Å; R1082-I1085 PolarHBondContact O-N 2.94Å; I1085-L1087 PolarHBondContact O-N 2.94Å; I1085-L1087 VanDerWaalsContact O-N 3.16Å; I1085-L1088 HydrophobicContact CG2-CD1 4.26Å; I1085-L1088 VanDerWaalsContact O-CB 3.31Å; I1085-L1088 WeakPolarHBondContact O-CB 3.28Å; I1085-L1088 PolarHBondContact O-N 3.35Å |
| 1086 | S | 90.2 | Very high | 87.8 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.1 | -32.6 | 177 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | R1082 E1083 S1084 L1088 M1089 L1113 | R1082-S1086 PolarHBondContact O-N 3.45Å; R1082-S1086 PolarHBondContact O-OG 3.17Å; E1083-S1086 WeakPolarHBondContact O-CB 3.26Å; E1083-S1086 PolarHBondContact O-N 3.05Å; S1084-S1086 VanDerWaalsContact C-N 3.31Å; S1084-S1086 PolarHBondContact O-N 2.98Å; S1086-L1088 PolarHBondContact O-N 2.83Å; S1086-M1089 WeakPolarHBondContact O-CB 3.41Å; S1086-M1089 PolarHBondContact O-N 3.46Å; S1086-L1113 WeakPolarHBondContact O-CD2 3.28Å |
| 1087 | L | 91 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -22.3 | 178.5 | -54.3 | -173.5 | 0 | 0 | 0 | 113.6 | Y1019 S1084 I1085 M1089 R1090 L1091 L1113 A1116 Y1117 V1120 | Y1019-L1087 HydrophobicContact CD1-CD1 3.97Å; Y1019-L1087 HydrophobicContact CD2-CD1 4.25Å; Y1019-L1087 HydrophobicContact CE1-CD1 4.42Å; Y1019-L1087 HydrophobicContact CG-CD1 3.85Å; S1084-L1087 WeakPolarHBondContact O-CB 3.29Å; S1084-L1087 PolarHBondContact O-N 2.89Å; I1085-L1087 PolarHBondContact O-N 2.94Å; I1085-L1087 VanDerWaalsContact O-N 3.16Å; L1087-M1089 PolarHBondContact O-N 3.47Å; L1087-R1090 WeakPolarHBondContact O-CB 3.48Å; L1087-R1090 PolarHBondContact O-N 3.48Å; L1087-R1090 VanDerWaalsContact O-N 3.14Å; L1087-L1091 PolarHBondContact O-N 2.9Å; L1087-L1113 HydrophobicContact CD2-CD2 4.47Å; L1087-A1116 HydrophobicContact CD2-CB 3.51Å; L1087-A1116 HydrophobicContact CG-CB 4.23Å; L1087-Y1117 HydrophobicContact CB-CE2 4.29Å; L1087-Y1117 HydrophobicContact CD1-CD1 4.17Å; L1087-Y1117 HydrophobicContact CD1-CD2 4.1Å; L1087-Y1117 HydrophobicContact CD1-CE1 4.1Å; L1087-Y1117 HydrophobicContact CD1-CE2 4Å; L1087-Y1117 HydrophobicContact CD1-CG 4.17Å; L1087-Y1117 HydrophobicContact CD2-CD2 3.26Å; L1087-Y1117 HydrophobicContact CD2-CE2 3.43Å; L1087-Y1117 VanDerWaalsContact CD2-CE2 3.43Å; L1087-Y1117 HydrophobicContact CD2-CG 3.96Å; L1087-Y1117 HydrophobicContact CG-CD2 4.23Å; L1087-Y1117 HydrophobicContact CG-CE2 4.09Å; L1087-V1120 HydrophobicContact CD1-CG2 4Å |
| 1088 | L | 90.9 | Very high | 89 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.3 | -34.3 | 174.4 | -70.3 | 176.6 | 0 | 0 | 0 | 111.8 | L1011 Y1026 I1030 T1034 I1085 S1086 R1090 L1091 V1092 | L1011-L1088 HydrophobicContact CD1-CD1 3.97Å; Y1026-L1088 HydrophobicContact CD2-CD2 4.38Å; Y1026-L1088 HydrophobicContact CE2-CD2 3.51Å; Y1026-L1088 HydrophobicContact CE2-CG 4.25Å; Y1026-L1088 PolarHBondContact OH-N 3.32Å; I1030-L1088 HydrophobicContact CD1-CD1 4.24Å; I1030-L1088 HydrophobicContact CG1-CD2 4.39Å; I1030-L1088 WeakPolarHBondContact O-CD2 3.28Å; T1034-L1088 HydrophobicContact CG2-CD2 4.37Å; I1085-L1088 HydrophobicContact CG2-CD1 4.26Å; I1085-L1088 VanDerWaalsContact O-CB 3.31Å; I1085-L1088 WeakPolarHBondContact O-CB 3.28Å; I1085-L1088 PolarHBondContact O-N 3.35Å; S1086-L1088 PolarHBondContact O-N 2.83Å; L1088-R1090 VanDerWaalsContact C-N 3.26Å; L1088-R1090 PolarHBondContact O-N 2.89Å; L1088-L1091 HydrophobicContact CD2-CD1 4.35Å; L1088-L1091 PolarHBondContact O-N 3.03Å; L1088-L1091 VanDerWaalsContact O-N 3.14Å; L1088-V1092 VanDerWaalsContact O-CG2 3.31Å; L1088-V1092 WeakPolarHBondContact O-CG2 3.33Å; L1088-V1092 PolarHBondContact O-N 3.48Å |
| 1089 | M | 90.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.9 | -35.8 | 179.4 | -65 | -59.8 | -69.7 | 0 | 0 | 112.1 | L1060 A1063 S1064 L1067 S1086 L1087 V1093 L1104 | L1060-M1089 HydrophobicContact CD1-CE 3.52Å; L1060-M1089 HydrophobicContact CG-CE 4.24Å; A1063-M1089 HydrophobicContact CB-CE 3.99Å; A1063-M1089 HydrophobicContact CB-SD 3.89Å; S1064-M1089 WeakPolarHBondContact OG-CE 3.46Å; L1067-M1089 HydrophobicContact CD1-CG 3.4Å; L1067-M1089 VanDerWaalsContact CD1-CG 3.4Å; L1067-M1089 HydrophobicContact CD1-SD 3.66Å; S1086-M1089 WeakPolarHBondContact O-CB 3.41Å; S1086-M1089 PolarHBondContact O-N 3.46Å; L1087-M1089 PolarHBondContact O-N 3.47Å; M1089-V1093 WeakPolarHBondContact O-CG2 3.26Å; M1089-V1093 PolarHBondContact O-N 3.25Å; M1089-L1104 HydrophobicContact CB-CD1 4.13Å; M1089-L1104 HydrophobicContact CE-CD1 4.14Å |
| 1090 | R | 90.8 | Very high | 90.3 | Very high | 58 Ų | 58 | 36.3 Ų | 36.3 | 22% | 0.219 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.4 | -49 | 172.6 | -174.6 | -171.8 | 168.9 | -174.2 | -15.7 | 110.7 | L1087 L1088 V1092 V1093 E1094 L1113 Y1117 | L1087-R1090 WeakPolarHBondContact O-CB 3.48Å; L1087-R1090 PolarHBondContact O-N 3.48Å; L1087-R1090 VanDerWaalsContact O-N 3.14Å; L1088-R1090 VanDerWaalsContact C-N 3.26Å; L1088-R1090 PolarHBondContact O-N 2.89Å; R1090-V1092 VanDerWaalsContact C-N 3.32Å; R1090-V1092 PolarHBondContact O-N 3.49Å; R1090-V1093 PolarHBondContact O-N 2.89Å; R1090-V1093 VanDerWaalsContact O-N 3.13Å; R1090-E1094 HydrophobicContact CG-CG 4.36Å; R1090-E1094 IonicContact CZ-OE1 3.22Å; R1090-E1094 IonicContact NE-OE1 2.76Å; R1090-E1094 PolarHBondContact NE-OE1 3.1Å; R1090-E1094 IonicContact NE-OE2 3.18Å; R1090-E1094 IonicContact NH2-OE1 2.82Å; R1090-E1094 PolarHBondContact NH2-OE1 3.36Å; R1090-E1094 WeakPolarHBondContact O-CG 3.35Å; R1090-E1094 PolarHBondContact O-N 3.29Å; R1090-L1113 HydrophobicContact CB-CD1 4.03Å; R1090-Y1117 VanDerWaalsContact CD-CE2 3.49Å |
| 1091 | L | 91.1 | Very high | 90.6 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 15% | 0.147 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.7 | -36.4 | -178.3 | -65.7 | 174.7 | 0 | 0 | 0 | 112.3 | Y1019 Y1026 H1031 T1034 L1087 L1088 V1093 E1094 E1095 | Y1019-L1091 HydrophobicContact CE2-CD1 4.26Å; Y1026-L1091 HydrophobicContact CE2-CD1 4.06Å; H1031-L1091 HydrophobicContact CB-CD1 4.02Å; T1034-L1091 HydrophobicContact CG2-CB 3.65Å; L1087-L1091 PolarHBondContact O-N 2.9Å; L1088-L1091 HydrophobicContact CD2-CD1 4.35Å; L1088-L1091 PolarHBondContact O-N 3.03Å; L1088-L1091 VanDerWaalsContact O-N 3.14Å; L1091-V1093 VanDerWaalsContact C-N 3.3Å; L1091-V1093 PolarHBondContact O-N 2.88Å; L1091-E1094 PolarHBondContact O-N 3.09Å; L1091-E1095 WeakPolarHBondContact O-CB 3.49Å; L1091-E1095 PolarHBondContact O-N 3.04Å |
| 1092 | V | 92.7 | Very high | 90.8 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.7 | -41 | 174.9 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | T1034 I1037 I1038 F1059 L1088 R1090 S1096 L1099 | T1034-V1092 HydrophobicContact CG2-CB 4.38Å; T1034-V1092 HydrophobicContact CG2-CG2 3.57Å; I1037-V1092 HydrophobicContact CD1-CG2 4.45Å; I1038-V1092 HydrophobicContact CD1-CG1 4.11Å; F1059-V1092 HydrophobicContact CE1-CG1 4.23Å; L1088-V1092 VanDerWaalsContact O-CG2 3.31Å; L1088-V1092 WeakPolarHBondContact O-CG2 3.33Å; L1088-V1092 PolarHBondContact O-N 3.48Å; R1090-V1092 VanDerWaalsContact C-N 3.32Å; R1090-V1092 PolarHBondContact O-N 3.49Å; V1092-S1096 WeakPolarHBondContact O-CB 3.4Å; V1092-S1096 PolarHBondContact O-N 3.13Å; V1092-L1099 HydrophobicContact CG1-CD1 4.03Å |
| 1093 | V | 92.4 | Very high | 91 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -76.7 | -38.9 | -178.7 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | L1060 M1089 R1090 L1091 E1095 S1096 L1099 L1101 L1104 | L1060-V1093 HydrophobicContact CD1-CG2 3.96Å; L1060-V1093 HydrophobicContact CD2-CG2 4.39Å; M1089-V1093 WeakPolarHBondContact O-CG2 3.26Å; M1089-V1093 PolarHBondContact O-N 3.25Å; R1090-V1093 PolarHBondContact O-N 2.89Å; R1090-V1093 VanDerWaalsContact O-N 3.13Å; L1091-V1093 VanDerWaalsContact C-N 3.3Å; L1091-V1093 PolarHBondContact O-N 2.88Å; V1093-E1095 VanDerWaalsContact C-N 3.29Å; V1093-E1095 PolarHBondContact O-N 3.42Å; V1093-S1096 PolarHBondContact O-N 3.43Å; V1093-L1099 HydrophobicContact CG1-CB 4.35Å; V1093-L1099 HydrophobicContact CG2-CB 4.24Å; V1093-L1099 HydrophobicContact CG2-CD1 4.39Å; V1093-L1101 HydrophobicContact CG1-CD2 4.11Å; V1093-L1101 HydrophobicContact CG1-CG 4.36Å; V1093-L1104 HydrophobicContact CB-CD2 4.45Å; V1093-L1104 HydrophobicContact CG2-CB 4.09Å; V1093-L1104 HydrophobicContact CG2-CD1 4.33Å; V1093-L1104 HydrophobicContact CG2-CD2 4.05Å; V1093-L1104 HydrophobicContact CG2-CG 4.39Å |
| 1094 | E | 90.5 | Very high | 91.2 | Very high | 102 Ų | 102 | 35.5 Ų | 35.5 | 48% | 0.477 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.6 | -32.6 | 174.9 | -73.9 | 177.5 | 164.8 | 0 | 0 | 112.7 | R1090 L1091 | R1090-E1094 HydrophobicContact CG-CG 4.36Å; R1090-E1094 IonicContact CZ-OE1 3.22Å; R1090-E1094 IonicContact NE-OE1 2.76Å; R1090-E1094 PolarHBondContact NE-OE1 3.1Å; R1090-E1094 IonicContact NE-OE2 3.18Å; R1090-E1094 IonicContact NH2-OE1 2.82Å; R1090-E1094 PolarHBondContact NH2-OE1 3.36Å; R1090-E1094 WeakPolarHBondContact O-CG 3.35Å; R1090-E1094 PolarHBondContact O-N 3.29Å; L1091-E1094 PolarHBondContact O-N 3.09Å |
| 1095 | E | 91.6 | Very high | 91.3 | Very high | 63 Ų | 63 | 39.9 Ų | 39.9 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -12.7 | 178.9 | -177 | 59.5 | -139.9 | 0 | 0 | 113.5 | K1035 I1038 L1091 V1093 | K1035-E1095 HydrophobicContact CB-CG 4.08Å; K1035-E1095 HydrophobicContact CG-CG 4.5Å; K1035-E1095 WeakPolarHBondContact CG-OE1 3.43Å; K1035-E1095 IonicContact NZ-OE1 3.74Å; K1035-E1095 PolarHBondContact NZ-OE1 2.64Å; K1035-E1095 IonicContact NZ-OE2 3.06Å; K1035-E1095 PolarHBondContact NZ-OE2 3.43Å; I1038-E1095 HydrophobicContact CG1-CG 4.34Å; L1091-E1095 WeakPolarHBondContact O-CB 3.49Å; L1091-E1095 PolarHBondContact O-N 3.04Å; V1093-E1095 VanDerWaalsContact C-N 3.29Å; V1093-E1095 PolarHBondContact O-N 3.42Å |
| 1096 | S | 92 | Very high | 91.2 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 8% | 0.077 | 24% | 0.241 | C | C | . | . | trans | -103.7 | 130.6 | -174.4 | -166.5 | 0 | 0 | 0 | 0 | 112.7 | V1092 V1093 F1098 L1099 | V1092-S1096 WeakPolarHBondContact O-CB 3.4Å; V1092-S1096 PolarHBondContact O-N 3.13Å; V1093-S1096 PolarHBondContact O-N 3.43Å; S1096-F1098 PolarHBondContact OG-N 3.15Å; S1096-F1098 VanDerWaalsContact OG-N 3.14Å; S1096-L1099 PolarHBondContact OG-N 3.48Å | ||
| 1097 | S | 89.1 | Confident | 91.2 | Very high | 74 Ų | 74 | 45.2 Ų | 45.2 | 52% | 0.517 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -78.8 | -7.3 | 164.7 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | D971 | D971-S1097 WeakPolarHBondContact OD1-CB 3.41Å; D971-S1097 PolarHBondContact OD1-OG 2.89Å |
| 1098 | F | 90.6 | Very high | 91.3 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 17% | 0.171 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -100.1 | -19.4 | -178.2 | -50.6 | -74.2 | 0 | 0 | 0 | 113.5 | D971 I1038 A1042 I1052 E1053 L1056 S1096 | D971-F1098 HydrophobicContact CB-CZ 4.23Å; I1038-F1098 HydrophobicContact CG2-CD2 4.5Å; A1042-F1098 HydrophobicContact CB-CE2 4.04Å; A1042-F1098 HydrophobicContact CB-CZ 4.42Å; I1052-F1098 HydrophobicContact CB-CD1 4.33Å; I1052-F1098 HydrophobicContact CB-CE1 4.26Å; I1052-F1098 HydrophobicContact CB-CZ 4.45Å; I1052-F1098 HydrophobicContact CD1-CE1 3.92Å; I1052-F1098 HydrophobicContact CD1-CE2 4.47Å; I1052-F1098 HydrophobicContact CD1-CZ 3.74Å; I1052-F1098 HydrophobicContact CG2-CD1 4.28Å; I1052-F1098 HydrophobicContact CG2-CD2 3.87Å; I1052-F1098 HydrophobicContact CG2-CE1 4.3Å; I1052-F1098 HydrophobicContact CG2-CE2 3.89Å; I1052-F1098 HydrophobicContact CG2-CG 4.07Å; I1052-F1098 HydrophobicContact CG2-CZ 4.11Å; E1053-F1098 HydrophobicContact CB-CB 4.4Å; L1056-F1098 HydrophobicContact CD1-CB 3.86Å; L1056-F1098 HydrophobicContact CD1-CD2 3.69Å; L1056-F1098 HydrophobicContact CD1-CG 4.09Å; S1096-F1098 PolarHBondContact OG-N 3.15Å; S1096-F1098 VanDerWaalsContact OG-N 3.14Å |
| 1099 | L | 92.8 | Very high | 91.3 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | trans | -109.6 | 145.9 | -179.4 | -62.2 | 176.3 | 0 | 0 | 0 | 110.3 | I1038 L1056 K1057 L1060 V1092 V1093 S1096 M1103 | I1038-L1099 HydrophobicContact CD1-CD1 4.42Å; L1056-L1099 HydrophobicContact CB-CD1 4.22Å; L1056-L1099 HydrophobicContact CB-CD2 3.88Å; L1056-L1099 HydrophobicContact CB-CG 4.1Å; K1057-L1099 HydrophobicContact CG-CD2 4.17Å; L1060-L1099 HydrophobicContact CD1-CD1 4.34Å; L1060-L1099 HydrophobicContact CD2-CD2 4.34Å; V1092-L1099 HydrophobicContact CG1-CD1 4.03Å; V1093-L1099 HydrophobicContact CG1-CB 4.35Å; V1093-L1099 HydrophobicContact CG2-CB 4.24Å; V1093-L1099 HydrophobicContact CG2-CD1 4.39Å; S1096-L1099 PolarHBondContact OG-N 3.48Å; L1099-M1103 HydrophobicContact CD2-SD 4.4Å | ||
| 1100 | T | 92.7 | Very high | 91.3 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 36% | 0.362 | 28% | 0.278 | S | S | . | . | trans | -122.4 | 158.1 | 179.1 | 60.1 | 0 | 0 | 0 | 0 | 111 | D1102 M1103 L1104 | T1100-D1102 PolarHBondContact O-N 2.61Å; T1100-M1103 HydrophobicContact CG2-CE 4.23Å; T1100-M1103 WeakPolarHBondContact O-CB 3.32Å; T1100-M1103 PolarHBondContact O-N 2.88Å; T1100-M1103 VanDerWaalsContact O-N 3.13Å; T1100-M1103 WeakPolarHBondContact OG1-CG 3.49Å; T1100-M1103 PolarHBondContact OG1-N 3.32Å; T1100-M1103 PolarHBondContact OG1-SD 2.91Å; T1100-L1104 PolarHBondContact O-N 3.32Å; T1100-L1104 VanDerWaalsContact O-N 3.13Å | ||
| 1101 | L | 89.9 | Confident | 91.3 | Very high | 94 Ų | 94 | 52.7 Ų | 52.7 | 49% | 0.492 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.3 | -31.7 | 175.9 | -71 | 170.2 | 0 | 0 | 0 | 112.2 | V1093 M1103 L1104 E1105 | V1093-L1101 HydrophobicContact CG1-CD2 4.11Å; V1093-L1101 HydrophobicContact CG1-CG 4.36Å; L1101-M1103 VanDerWaalsContact C-N 3.35Å; L1101-L1104 HydrophobicContact CD2-CD2 4.46Å; L1101-L1104 WeakPolarHBondContact O-CB 3.43Å; L1101-L1104 PolarHBondContact O-N 3.3Å; L1101-E1105 PolarHBondContact O-N 3.43Å |
| 1102 | D | 90.8 | Very high | 91.3 | Very high | 134 Ų | 134 | 54.9 Ų | 54.9 | 72% | 0.717 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64 | -40 | 174.6 | -61 | -68.4 | 0 | 0 | 0 | 112 | T1100 L1104 E1105 S1106 | T1100-D1102 PolarHBondContact O-N 2.61Å; D1102-L1104 VanDerWaalsContact C-N 3.33Å; D1102-E1105 PolarHBondContact O-N 3.47Å; D1102-S1106 PolarHBondContact O-N 3.37Å |
| 1103 | M | 92 | Very high | 91.2 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 21% | 0.207 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 174.5 | -66.5 | 168.2 | -167.1 | 0 | 0 | 111.2 | E1053 K1057 L1060 L1099 T1100 L1101 S1106 C1107 | E1053-M1103 WeakPolarHBondContact OE1-CE 3.44Å; K1057-M1103 HydrophobicContact CD-SD 4.32Å; K1057-M1103 WeakPolarHBondContact CE-SD 3.34Å; K1057-M1103 HydrophobicContact CG-SD 4.16Å; L1060-M1103 HydrophobicContact CD2-CB 4.38Å; L1099-M1103 HydrophobicContact CD2-SD 4.4Å; T1100-M1103 HydrophobicContact CG2-CE 4.23Å; T1100-M1103 WeakPolarHBondContact O-CB 3.32Å; T1100-M1103 PolarHBondContact O-N 2.88Å; T1100-M1103 VanDerWaalsContact O-N 3.13Å; T1100-M1103 WeakPolarHBondContact OG1-CG 3.49Å; T1100-M1103 PolarHBondContact OG1-N 3.32Å; T1100-M1103 PolarHBondContact OG1-SD 2.91Å; L1101-M1103 VanDerWaalsContact C-N 3.35Å; M1103-S1106 PolarHBondContact O-N 3.23Å; M1103-S1106 PolarHBondContact O-OG 2.98Å; M1103-C1107 PolarHBondContact O-SG 3.02Å; M1103-C1107 VanDerWaalsContact O-SG 3.39Å |
| 1104 | L | 92.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65 | -47.4 | 175.8 | -177.3 | 62.7 | 0 | 0 | 0 | 112 | L1060 M1089 V1093 T1100 L1101 D1102 S1106 C1107 F1108 L1113 | L1060-L1104 HydrophobicContact CD1-CD1 4.02Å; L1060-L1104 HydrophobicContact CD2-CB 4.45Å; L1060-L1104 HydrophobicContact CD2-CD1 4.44Å; L1060-L1104 HydrophobicContact CG-CD1 4.42Å; M1089-L1104 HydrophobicContact CB-CD1 4.13Å; M1089-L1104 HydrophobicContact CE-CD1 4.14Å; V1093-L1104 HydrophobicContact CB-CD2 4.45Å; V1093-L1104 HydrophobicContact CG2-CB 4.09Å; V1093-L1104 HydrophobicContact CG2-CD1 4.33Å; V1093-L1104 HydrophobicContact CG2-CD2 4.05Å; V1093-L1104 HydrophobicContact CG2-CG 4.39Å; T1100-L1104 PolarHBondContact O-N 3.32Å; T1100-L1104 VanDerWaalsContact O-N 3.13Å; L1101-L1104 HydrophobicContact CD2-CD2 4.46Å; L1101-L1104 WeakPolarHBondContact O-CB 3.43Å; L1101-L1104 PolarHBondContact O-N 3.3Å; D1102-L1104 VanDerWaalsContact C-N 3.33Å; L1104-S1106 PolarHBondContact O-N 3.42Å; L1104-S1106 VanDerWaalsContact O-N 3.16Å; L1104-C1107 PolarHBondContact O-N 3.18Å; L1104-C1107 PolarHBondContact O-SG 2.8Å; L1104-C1107 VanDerWaalsContact O-SG 3.41Å; L1104-F1108 HydrophobicContact CD1-CB 3.87Å; L1104-F1108 CarbonylContact O-C 3.37Å; L1104-F1108 PolarHBondContact O-N 3.06Å; L1104-L1113 HydrophobicContact CD2-CD1 3.8Å |
| 1105 | E | 91.1 | Very high | 91.1 | Very high | 94 Ų | 94 | 59.9 Ų | 59.9 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.9 | -33.2 | -179.3 | -174.3 | 62.4 | -162.6 | 0 | 0 | 111.9 | L1101 D1102 C1107 Y1110 | L1101-E1105 PolarHBondContact O-N 3.43Å; D1102-E1105 PolarHBondContact O-N 3.47Å; E1105-C1107 VanDerWaalsContact C-N 3.27Å; E1105-C1107 PolarHBondContact O-N 3.38Å; E1105-Y1110 WeakPolarHBondContact OE2-CA 3.36Å; E1105-Y1110 WeakPolarHBondContact OE2-CB 3.44Å; E1105-Y1110 PolarHBondContact OE2-N 2.84Å |
| 1106 | S | 91.1 | Very high | 91 | Very high | 102 Ų | 102 | 57 Ų | 57 | 71% | 0.713 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.9 | -24.9 | 178.9 | 80.3 | 0 | 0 | 0 | 0 | 114.4 | D1102 M1103 L1104 | D1102-S1106 PolarHBondContact O-N 3.37Å; M1103-S1106 PolarHBondContact O-N 3.23Å; M1103-S1106 PolarHBondContact O-OG 2.98Å; L1104-S1106 PolarHBondContact O-N 3.42Å; L1104-S1106 VanDerWaalsContact O-N 3.16Å |
| 1107 | C | 90.1 | Very high | 90.8 | Very high | 25 Ų | 25 | 58.8 Ų | 58.8 | 17% | 0.169 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -121.5 | -19.7 | -176.2 | 60.9 | 0 | 0 | 0 | 0 | 114.3 | V1061 S1064 M1103 L1104 E1105 | V1061-C1107 HydrophobicContact CG2-CB 4.34Å; S1064-C1107 WeakPolarHBondContact CB-O 3.47Å; S1064-C1107 PolarHBondContact OG-SG 3.03Å; S1064-C1107 VanDerWaalsContact OG-SG 3.36Å; M1103-C1107 PolarHBondContact O-SG 3.02Å; M1103-C1107 VanDerWaalsContact O-SG 3.39Å; L1104-C1107 PolarHBondContact O-N 3.18Å; L1104-C1107 PolarHBondContact O-SG 2.8Å; L1104-C1107 VanDerWaalsContact O-SG 3.41Å; E1105-C1107 VanDerWaalsContact C-N 3.27Å; E1105-C1107 PolarHBondContact O-N 3.38Å |
| 1108 | F | 91.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 63.5 Ų | 63.5 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -145.3 | 104.8 | 178.4 | -162.7 | -90.7 | 0 | 0 | 0 | 110.9 | L1067 L1068 L1104 Y1110 L1112 L1113 | L1067-F1108 HydrophobicContact CB-CE2 4.09Å; L1068-F1108 HydrophobicContact CD1-CD2 4.39Å; L1068-F1108 HydrophobicContact CD2-CD2 4.01Å; L1068-F1108 HydrophobicContact CD2-CE2 3.85Å; L1068-F1108 HydrophobicContact CG-CD2 3.87Å; L1068-F1108 HydrophobicContact CG-CE2 3.95Å; L1104-F1108 HydrophobicContact CD1-CB 3.87Å; L1104-F1108 CarbonylContact O-C 3.37Å; L1104-F1108 PolarHBondContact O-N 3.06Å; F1108-Y1110 PolarHBondContact O-N 3.21Å; F1108-L1112 HydrophobicContact CE1-CB 3.84Å; F1108-L1112 HydrophobicContact CE1-CD1 4.11Å; F1108-L1112 HydrophobicContact CE2-CD1 4.23Å; F1108-L1112 HydrophobicContact CZ-CB 4.17Å; F1108-L1112 HydrophobicContact CZ-CD1 3.9Å; F1108-L1113 HydrophobicContact CD1-CD1 4.38Å; F1108-L1113 HydrophobicContact CD1-CD2 4.14Å; F1108-L1113 HydrophobicContact CD1-CG 4.04Å; F1108-L1113 HydrophobicContact CE1-CD2 3.65Å; F1108-L1113 HydrophobicContact CE1-CG 3.85Å |
| 1109 | P | 91.9 | Very high | 90.6 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | trans | -60.3 | 127.2 | -174.6 | -24.8 | 33.2 | 0 | 0 | 0 | 113.4 | V1111 L1112 | P1109-V1111 PolarHBondContact O-N 3Å; P1109-L1112 WeakPolarHBondContact O-CB 3.26Å; P1109-L1112 PolarHBondContact O-N 2.97Å | ||
| 1110 | Y | 90.3 | Very high | 90.4 | Very high | 91 Ų | 91 | 65.4 Ų | 65.4 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.8 | -21.6 | -177.4 | -168.3 | -93.4 | 0 | 0 | 0 | 113.2 | E1105 F1108 L1112 L1113 R1114 | E1105-Y1110 WeakPolarHBondContact OE2-CA 3.36Å; E1105-Y1110 WeakPolarHBondContact OE2-CB 3.44Å; E1105-Y1110 PolarHBondContact OE2-N 2.84Å; F1108-Y1110 PolarHBondContact O-N 3.21Å; Y1110-L1112 PolarHBondContact O-N 3.31Å; Y1110-L1113 HydrophobicContact CD2-CB 4.4Å; Y1110-L1113 HydrophobicContact CD2-CD1 3.77Å; Y1110-L1113 HydrophobicContact CE2-CD1 4.19Å; Y1110-L1113 WeakPolarHBondContact O-CB 3.42Å; Y1110-L1113 PolarHBondContact O-N 2.94Å; Y1110-L1113 VanDerWaalsContact O-N 3.08Å; Y1110-R1114 HydrophobicContact CD1-CB 4.5Å; Y1110-R1114 HydrophobicContact CE1-CB 4.49Å; Y1110-R1114 PolarHBondContact O-N 3.45Å |
| 1111 | V | 90.8 | Very high | 89.9 | Confident | 70 Ų | 70 | 64.5 Ų | 64.5 | 42% | 0.424 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.2 | -34.7 | 173 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | P1109 N1115 | P1109-V1111 PolarHBondContact O-N 3Å; V1111-N1115 WeakPolarHBondContact O-CB 3.43Å; V1111-N1115 VanDerWaalsContact O-CG 3.22Å; V1111-N1115 PolarHBondContact O-N 3.46Å; V1111-N1115 PolarHBondContact O-ND2 2.95Å |
| 1112 | L | 90.3 | Very high | 89.7 | Confident | 74 Ų | 74 | 66.9 Ų | 66.9 | 39% | 0.387 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 175.4 | -62.8 | 177.4 | 0 | 0 | 0 | 111 | L1068 F1108 P1109 Y1110 N1115 A1116 | L1068-L1112 HydrophobicContact CD2-CD1 3.56Å; F1108-L1112 HydrophobicContact CE1-CB 3.84Å; F1108-L1112 HydrophobicContact CE1-CD1 4.11Å; F1108-L1112 HydrophobicContact CE2-CD1 4.23Å; F1108-L1112 HydrophobicContact CZ-CB 4.17Å; F1108-L1112 HydrophobicContact CZ-CD1 3.9Å; P1109-L1112 WeakPolarHBondContact O-CB 3.26Å; P1109-L1112 PolarHBondContact O-N 2.97Å; Y1110-L1112 PolarHBondContact O-N 3.31Å; L1112-N1115 PolarHBondContact O-N 3.4Å; L1112-A1116 WeakPolarHBondContact O-CB 3.32Å; L1112-A1116 PolarHBondContact O-N 3.1Å |
| 1113 | L | 91 | Very high | 89.2 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 176.9 | -61 | 175.2 | 0 | 0 | 0 | 111.9 | S1086 L1087 R1090 L1104 F1108 Y1110 N1115 A1116 Y1117 | S1086-L1113 WeakPolarHBondContact O-CD2 3.28Å; L1087-L1113 HydrophobicContact CD2-CD2 4.47Å; R1090-L1113 HydrophobicContact CB-CD1 4.03Å; L1104-L1113 HydrophobicContact CD2-CD1 3.8Å; F1108-L1113 HydrophobicContact CD1-CD1 4.38Å; F1108-L1113 HydrophobicContact CD1-CD2 4.14Å; F1108-L1113 HydrophobicContact CD1-CG 4.04Å; F1108-L1113 HydrophobicContact CE1-CD2 3.65Å; F1108-L1113 HydrophobicContact CE1-CG 3.85Å; Y1110-L1113 HydrophobicContact CD2-CB 4.4Å; Y1110-L1113 HydrophobicContact CD2-CD1 3.77Å; Y1110-L1113 HydrophobicContact CE2-CD1 4.19Å; Y1110-L1113 WeakPolarHBondContact O-CB 3.42Å; Y1110-L1113 PolarHBondContact O-N 2.94Å; Y1110-L1113 VanDerWaalsContact O-N 3.08Å; L1113-N1115 VanDerWaalsContact C-N 3.33Å; L1113-N1115 PolarHBondContact O-N 3.46Å; L1113-A1116 WeakPolarHBondContact O-CB 3.37Å; L1113-A1116 PolarHBondContact O-N 3.28Å; L1113-Y1117 PolarHBondContact O-N 2.84Å |
| 1114 | R | 90.6 | Very high | 88.6 | Confident | 147 Ų | 147 | 61.5 Ų | 61.5 | 56% | 0.555 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.8 | -44.7 | 176.7 | -174.1 | -173.9 | 68.9 | -170.8 | -0.6 | 111.4 | Y1110 R1118 | Y1110-R1114 HydrophobicContact CD1-CB 4.5Å; Y1110-R1114 HydrophobicContact CE1-CB 4.49Å; Y1110-R1114 PolarHBondContact O-N 3.45Å; R1114-R1118 WeakPolarHBondContact O-CB 3.44Å; R1114-R1118 PolarHBondContact O-N 2.97Å |
| 1115 | N | 90.8 | Very high | 88 | Confident | 70 Ų | 70 | 67 Ų | 67 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 177.9 | -70 | -11.9 | 0 | 0 | 0 | 111.3 | V1111 L1112 L1113 R1118 E1119 | V1111-N1115 WeakPolarHBondContact O-CB 3.43Å; V1111-N1115 VanDerWaalsContact O-CG 3.22Å; V1111-N1115 PolarHBondContact O-N 3.46Å; V1111-N1115 PolarHBondContact O-ND2 2.95Å; L1112-N1115 PolarHBondContact O-N 3.4Å; L1113-N1115 VanDerWaalsContact C-N 3.33Å; L1113-N1115 PolarHBondContact O-N 3.46Å; N1115-R1118 WeakPolarHBondContact O-CB 3.45Å; N1115-R1118 PolarHBondContact O-N 3.13Å; N1115-E1119 PolarHBondContact O-N 3.25Å |
| 1116 | A | 89.6 | Confident | 87.2 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1083 L1087 L1112 L1113 R1118 E1119 V1120 | E1083-A1116 HydrophobicContact CB-CB 3.96Å; E1083-A1116 VanDerWaalsContact O-CB 3.29Å; E1083-A1116 WeakPolarHBondContact O-CB 3.45Å; L1087-A1116 HydrophobicContact CD2-CB 3.51Å; L1087-A1116 HydrophobicContact CG-CB 4.23Å; L1112-A1116 WeakPolarHBondContact O-CB 3.32Å; L1112-A1116 PolarHBondContact O-N 3.1Å; L1113-A1116 WeakPolarHBondContact O-CB 3.37Å; L1113-A1116 PolarHBondContact O-N 3.28Å; A1116-R1118 VanDerWaalsContact C-N 3.31Å; A1116-R1118 PolarHBondContact O-N 3.01Å; A1116-E1119 PolarHBondContact O-N 3.21Å; A1116-V1120 WeakPolarHBondContact O-CG2 3.44Å; A1116-V1120 PolarHBondContact O-N 3.42Å; A1116-V1120 VanDerWaalsContact O-N 3.07Å |
| 1117 | Y | 88.6 | Confident | 85.9 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 18% | 0.184 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 174 | -98 | -75.6 | 0 | 0 | 0 | 112.1 | Y1019 L1087 R1090 L1113 V1120 S1121 | Y1019-Y1117 AromaticContact CE1-CE1 3.92Å; Y1019-Y1117 HydrophobicContact CE1-CE1 3.92Å; Y1019-Y1117 PolarHBondContact OH-OH 3.09Å; L1087-Y1117 HydrophobicContact CB-CE2 4.29Å; L1087-Y1117 HydrophobicContact CD1-CD1 4.17Å; L1087-Y1117 HydrophobicContact CD1-CD2 4.1Å; L1087-Y1117 HydrophobicContact CD1-CE1 4.1Å; L1087-Y1117 HydrophobicContact CD1-CE2 4Å; L1087-Y1117 HydrophobicContact CD1-CG 4.17Å; L1087-Y1117 HydrophobicContact CD2-CD2 3.26Å; L1087-Y1117 HydrophobicContact CD2-CE2 3.43Å; L1087-Y1117 VanDerWaalsContact CD2-CE2 3.43Å; L1087-Y1117 HydrophobicContact CD2-CG 3.96Å; L1087-Y1117 HydrophobicContact CG-CD2 4.23Å; L1087-Y1117 HydrophobicContact CG-CE2 4.09Å; R1090-Y1117 VanDerWaalsContact CD-CE2 3.49Å; L1113-Y1117 PolarHBondContact O-N 2.84Å; Y1117-V1120 WeakPolarHBondContact O-CG2 3.33Å; Y1117-S1121 VanDerWaalsContact O-CB 3.25Å; Y1117-S1121 WeakPolarHBondContact O-CB 3.45Å; Y1117-S1121 PolarHBondContact O-N 3.12Å |
| 1118 | R | 89.4 | Confident | 84.6 | Confident | 173 Ų | 173 | 76 Ų | 76 | 65% | 0.653 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62 | -42.3 | 176.5 | -177.7 | -175.9 | 177.7 | -172.6 | -0.3 | 111.8 | R1114 N1115 A1116 S1121 R1122 | R1114-R1118 WeakPolarHBondContact O-CB 3.44Å; R1114-R1118 PolarHBondContact O-N 2.97Å; N1115-R1118 WeakPolarHBondContact O-CB 3.45Å; N1115-R1118 PolarHBondContact O-N 3.13Å; A1116-R1118 VanDerWaalsContact C-N 3.31Å; A1116-R1118 PolarHBondContact O-N 3.01Å; R1118-S1121 PolarHBondContact O-N 3.48Å; R1118-R1122 VanDerWaalsContact O-CB 3.3Å; R1118-R1122 WeakPolarHBondContact O-CB 3.2Å; R1118-R1122 PolarHBondContact O-N 3.33Å |
| 1119 | E | 86.1 | Confident | 82.5 | Confident | 83 Ų | 83 | 80.2 Ų | 80.2 | 39% | 0.388 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.2 | -42.6 | -179.2 | -72.8 | -55.9 | 141.3 | 0 | 0 | 112.3 | N1115 A1116 S1121 R1122 A1123 | N1115-E1119 PolarHBondContact O-N 3.25Å; A1116-E1119 PolarHBondContact O-N 3.21Å; E1119-S1121 VanDerWaalsContact C-N 3.29Å; E1119-S1121 PolarHBondContact O-N 3.4Å; E1119-R1122 PolarHBondContact O-N 2.89Å; E1119-A1123 WeakPolarHBondContact O-CB 3.48Å; E1119-A1123 PolarHBondContact O-N 3.42Å |
| 1120 | V | 86.9 | Confident | 80.2 | Confident | 4 Ų | 4 | 82.4 Ų | 82.4 | 2% | 0.024 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.3 | -34.8 | 174.1 | -63 | 0 | 0 | 0 | 0 | 111.8 | F1018 Y1019 L1087 A1116 Y1117 A1123 F1124 | F1018-V1120 HydrophobicContact CE2-CG1 4.36Å; F1018-V1120 HydrophobicContact CZ-CG1 4.42Å; Y1019-V1120 HydrophobicContact CD1-CG2 4.16Å; L1087-V1120 HydrophobicContact CD1-CG2 4Å; A1116-V1120 WeakPolarHBondContact O-CG2 3.44Å; A1116-V1120 PolarHBondContact O-N 3.42Å; A1116-V1120 VanDerWaalsContact O-N 3.07Å; Y1117-V1120 WeakPolarHBondContact O-CG2 3.33Å; V1120-A1123 PolarHBondContact O-N 3.18Å; V1120-F1124 WeakPolarHBondContact O-CB 3.44Å; V1120-F1124 PolarHBondContact O-N 3Å |
| 1121 | S | 83.6 | Confident | 78.1 | Confident | 41 Ų | 41 | 83.1 Ų | 83.1 | 29% | 0.287 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 173.4 | -179.2 | 0 | 0 | 0 | 0 | 113.3 | Y1117 R1118 E1119 F1124 H1125 | Y1117-S1121 VanDerWaalsContact O-CB 3.25Å; Y1117-S1121 WeakPolarHBondContact O-CB 3.45Å; Y1117-S1121 PolarHBondContact O-N 3.12Å; R1118-S1121 PolarHBondContact O-N 3.48Å; E1119-S1121 VanDerWaalsContact C-N 3.29Å; E1119-S1121 PolarHBondContact O-N 3.4Å; S1121-F1124 WeakPolarHBondContact O-CB 3.35Å; S1121-F1124 PolarHBondContact O-N 3.06Å; S1121-H1125 PolarHBondContact O-CD2 3.39Å; S1121-H1125 PolarHBondContact O-N 3.07Å |
| 1122 | R | 84.6 | Confident | 75.8 | Confident | 144 Ų | 144 | 87 Ų | 87 | 54% | 0.543 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 174.4 | -174.1 | -176 | -179.2 | -175.6 | -0.8 | 111.4 | R1118 E1119 F1124 H1125 L1126 | R1118-R1122 VanDerWaalsContact O-CB 3.3Å; R1118-R1122 WeakPolarHBondContact O-CB 3.2Å; R1118-R1122 PolarHBondContact O-N 3.33Å; E1119-R1122 PolarHBondContact O-N 2.89Å; R1122-F1124 VanDerWaalsContact C-N 3.31Å; R1122-F1124 PolarHBondContact O-N 2.86Å; R1122-H1125 PolarHBondContact O-N 3.38Å; R1122-L1126 HydrophobicContact CG-CD1 3.94Å; R1122-L1126 WeakPolarHBondContact O-CG 3.21Å; R1122-L1126 PolarHBondContact O-N 3.33Å |
| 1123 | A | 80.9 | Confident | 73.4 | Confident | 29 Ų | 29 | 89 Ų | 89 | 24% | 0.24 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | F1018 E1119 V1120 L1126 N1127 | F1018-A1123 HydrophobicContact CZ-CB 4.01Å; E1119-A1123 WeakPolarHBondContact O-CB 3.48Å; E1119-A1123 PolarHBondContact O-N 3.42Å; V1120-A1123 PolarHBondContact O-N 3.18Å; A1123-L1126 PolarHBondContact O-N 3.31Å; A1123-N1127 PolarHBondContact O-N 3.13Å; A1123-N1127 PolarHBondContact O-ND2 3.13Å |
| 1124 | F | 79.4 | Confident | 70.8 | Confident | 34 Ų | 34 | 101.7 Ų | 101.7 | 15% | 0.149 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 174.7 | 176.7 | -109.1 | 0 | 0 | 0 | 112.9 | I1021 E1022 V1120 S1121 R1122 L1126 N1127 | I1021-F1124 HydrophobicContact CB-CG 4.4Å; I1021-F1124 HydrophobicContact CD1-CB 4.15Å; I1021-F1124 HydrophobicContact CD1-CG 4.49Å; E1022-F1124 HydrophobicContact CB-CE2 4.49Å; E1022-F1124 VanDerWaalsContact CD-CE2 3.47Å; E1022-F1124 HydrophobicContact CG-CD2 4.49Å; E1022-F1124 HydrophobicContact CG-CE2 3.41Å; E1022-F1124 VanDerWaalsContact CG-CE2 3.41Å; E1022-F1124 HydrophobicContact CG-CZ 3.56Å; E1022-F1124 VanDerWaalsContact OE1-CE2 3.24Å; E1022-F1124 WeakPolarHBondContact OE1-CE2 3.45Å; E1022-F1124 WeakPolarHBondContact OE1-CZ 3.15Å; V1120-F1124 WeakPolarHBondContact O-CB 3.44Å; V1120-F1124 PolarHBondContact O-N 3Å; S1121-F1124 WeakPolarHBondContact O-CB 3.35Å; S1121-F1124 PolarHBondContact O-N 3.06Å; R1122-F1124 VanDerWaalsContact C-N 3.31Å; R1122-F1124 PolarHBondContact O-N 2.86Å; F1124-L1126 PolarHBondContact O-N 2.71Å; F1124-N1127 PolarHBondContact O-N 3.45Å |
| 1125 | H | 78.8 | Confident | 69.8 | Low | 117 Ų | 117 | 99.5 Ų | 99.5 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -35.6 | -179.9 | -75.3 | -63.2 | 0 | 0 | 0 | 113.2 | S1121 R1122 N1127 R1128 | S1121-H1125 PolarHBondContact O-CD2 3.39Å; S1121-H1125 PolarHBondContact O-N 3.07Å; R1122-H1125 PolarHBondContact O-N 3.38Å; H1125-N1127 VanDerWaalsContact C-N 3.34Å; H1125-R1128 PolarHBondContact O-N 3.21Å |
| 1126 | L | 74.4 | Confident | 68.7 | Low | 109 Ų | 109 | 101 Ų | 101 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.5 | -36.9 | 176.1 | -74.8 | 164.9 | 0 | 0 | 0 | 112.3 | R1122 A1123 F1124 R1128 V1129 | R1122-L1126 HydrophobicContact CG-CD1 3.94Å; R1122-L1126 WeakPolarHBondContact O-CG 3.21Å; R1122-L1126 PolarHBondContact O-N 3.33Å; A1123-L1126 PolarHBondContact O-N 3.31Å; F1124-L1126 PolarHBondContact O-N 2.71Å; L1126-R1128 VanDerWaalsContact C-N 3.28Å; L1126-R1128 PolarHBondContact O-N 2.77Å; L1126-V1129 PolarHBondContact O-N 2.97Å |
| 1127 | N | 64.4 | Low | 67.5 | Low | 138 Ų | 138 | 106.4 Ų | 106.4 | 74% | 0.738 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -73.1 | -14.3 | 179.2 | -73.3 | -18.9 | 0 | 0 | 0 | 114.3 | A1123 F1124 H1125 | A1123-N1127 PolarHBondContact O-N 3.13Å; A1123-N1127 PolarHBondContact O-ND2 3.13Å; F1124-N1127 PolarHBondContact O-N 3.45Å; H1125-N1127 VanDerWaalsContact C-N 3.34Å |
| 1128 | R | 62.7 | Low | 66.3 | Low | 164 Ų | 164 | 109.9 Ų | 109.9 | 62% | 0.619 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -3.4 | 177 | -85.4 | -173.3 | 170.6 | -160.3 | -0.3 | 114.3 | E1022 H1125 L1126 P1130 | E1022-R1128 IonicContact OE1-CZ 3.26Å; E1022-R1128 VanDerWaalsContact OE1-CZ 3.26Å; E1022-R1128 IonicContact OE1-NE 3.15Å; E1022-R1128 PolarHBondContact OE1-NE 3.49Å; E1022-R1128 VanDerWaalsContact OE1-NE 3.15Å; E1022-R1128 IonicContact OE1-NH2 2.64Å; E1022-R1128 PolarHBondContact OE1-NH2 2.86Å; H1125-R1128 PolarHBondContact O-N 3.21Å; L1126-R1128 VanDerWaalsContact C-N 3.28Å; L1126-R1128 PolarHBondContact O-N 2.77Å; R1128-P1130 WeakPolarHBondContact O-CD 3.35Å |
| 1129 | V | 47.1 | Very low | 64.8 | Low | 91 Ų | 91 | 106 Ų | 106 | 55% | 0.552 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -77.7 | 120.3 | 174.1 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | L1126 A1131 | L1126-V1129 PolarHBondContact O-N 2.97Å; V1129-A1131 PolarHBondContact O-N 3.11Å |
| 1130 | P | 44.8 | Very low | 63.4 | Low | 102 Ų | 102 | 107.5 Ų | 107.5 | 66% | 0.662 | 57% | 0.57 | S | S | * | * | trans | -63.5 | 138 | 178.5 | 24.1 | -30.7 | 0 | 0 | 0 | 110.3 | R1128 N1132 | R1128-P1130 WeakPolarHBondContact O-CD 3.35Å; P1130-N1132 PolarHBondContact O-N 2.8Å | ||
| 1131 | A | 45 | Very low | 61.8 | Low | 106 Ų | 106 | 114.9 Ų | 114.9 | 88% | 0.876 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -68.3 | 32.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1129 | V1129-A1131 PolarHBondContact O-N 3.11Š|
| 1132 | N | 42.5 | Very low | 60.1 | Low | 151 Ų | 151 | 120.6 Ų | 120.6 | 81% | 0.807 | 63% | 0.634 | S | S | * | * | trans | -126.9 | 61.2 | 175.6 | -92 | -4.6 | 0 | 0 | 0 | 110.5 | P1130 | P1130-N1132 PolarHBondContact O-N 2.8Š| ||
| 1133 | T | 41.1 | Very low | 58 | Low | 116 Ų | 116 | 118.7 Ų | 118.7 | 71% | 0.712 | 64% | 0.642 | S | S | * | * | trans | -157.4 | 74.3 | 150.2 | 46.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1134 | H | 35.3 | Very low | 55.9 | Low | 267 Ų | 267 | 126.8 Ų | 126.8 | 100% | 1.236 | 68% | 0.678 | S | S | * | * | trans | -140.4 | 0 | 145.2 | -94.4 | -53.7 | 0 | 0 | 0 | 108.7 |
Retrieved 1,134 of 1,134 residues in 3216.9 ms
(Link to these results)