| 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 | 73.1 | Confident | 92.1 | Very high | 181 Ų | 181 | 76.6 Ų | 76.6 | 89% | 0.892 | 38% | 0.378 | S | S | * | . | 0 | 117.3 | 0 | -150.5 | 166.4 | -85.6 | 0 | 0 | 107 | Q3 E249 | M1-Q3 WeakPolarHBondContact O-CG 3.13Å; M1-Q3 PolarHBondContact O-N 3.48Å; M1-E249 WeakPolarHBondContact CA-OE1 3.34Å; M1-E249 WeakPolarHBondContact CA-OE2 3.21Å; M1-E249 PolarHBondContact N-OE1 2.76Å | |||
| 2 | Y | 88.3 | Confident | 92.5 | Very high | 38 Ų | 38 | 73.5 Ų | 73.5 | 15% | 0.149 | 38% | 0.38 | C | S | . | . | trans | -57.6 | 121.5 | 174.6 | -178.4 | -98.6 | 0 | 0 | 0 | 109.1 | E4 Y245 I248 E249 E315 F318 L319 | Y2-E4 HydrophobicContact CE1-CB 3.8Å; Y2-E4 HydrophobicContact CE1-CG 4.26Å; Y2-E4 HydrophobicContact CE2-CB 4.36Å; Y2-E4 HydrophobicContact CE2-CG 3.93Å; Y2-Y245 HydrophobicContact CD1-CD2 4.43Å; Y2-Y245 AromaticContact CD1-CE2 3.87Å; Y2-Y245 HydrophobicContact CD1-CE2 3.87Å; Y2-Y245 HydrophobicContact CE1-CD2 4.45Å; Y2-Y245 HydrophobicContact CE1-CE2 4.1Å; Y2-I248 HydrophobicContact CD1-CD1 4.05Å; Y2-I248 HydrophobicContact CD1-CG2 4.35Å; Y2-I248 HydrophobicContact CD2-CG2 3.46Å; Y2-I248 VanDerWaalsContact CD2-CG2 3.46Å; Y2-I248 HydrophobicContact CE1-CD1 3.82Å; Y2-I248 HydrophobicContact CE2-CD1 4.42Å; Y2-I248 HydrophobicContact CE2-CG2 3.86Å; Y2-I248 HydrophobicContact CG-CD1 4.45Å; Y2-I248 HydrophobicContact CG-CG2 3.71Å; Y2-E249 PolarHBondContact N-OE1 3.13Å; Y2-E315 WeakPolarHBondContact CE1-OE1 3.17Å; Y2-E315 WeakPolarHBondContact OH-CG 3.47Å; Y2-E315 PolarHBondContact OH-OE1 2.78Å; Y2-F318 HydrophobicContact CE2-CD1 4.39Å; Y2-F318 AromaticContact CE2-CE1 3.85Å; Y2-F318 HydrophobicContact CE2-CE1 3.85Å; Y2-L319 HydrophobicContact CE2-CD2 3.83Å | ||
| 3 | Q | 85.7 | Confident | 92.9 | Very high | 164 Ų | 164 | 75.8 Ų | 75.8 | 77% | 0.766 | 39% | 0.388 | S | S | * | . | trans | -119.4 | 22.7 | -171.2 | -54.7 | -161.2 | -31.2 | 0 | 0 | 113.7 | M1 | M1-Q3 WeakPolarHBondContact O-CG 3.13Å; M1-Q3 PolarHBondContact O-N 3.48Å | ||
| 4 | E | 93.1 | Very high | 93.3 | Very high | 52 Ų | 52 | 70.7 Ų | 70.7 | 24% | 0.243 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 150.6 | 177.6 | -57.1 | -64.6 | 152.2 | 0 | 0 | 111.7 | Y2 Y11 R205 F318 | Y2-E4 HydrophobicContact CE1-CB 3.8Å; Y2-E4 HydrophobicContact CE1-CG 4.26Å; Y2-E4 HydrophobicContact CE2-CB 4.36Å; Y2-E4 HydrophobicContact CE2-CG 3.93Å; E4-Y11 HydrophobicContact CB-CD1 3.46Å; E4-Y11 VanDerWaalsContact CB-CD1 3.46Å; E4-Y11 HydrophobicContact CB-CE1 4Å; E4-Y11 HydrophobicContact CB-CG 4.37Å; E4-Y11 HydrophobicContact CG-CD1 4.45Å; E4-Y11 WeakPolarHBondContact OE2-CA 3.35Å; E4-R205 PolarHBondContact O-NH1 3.28Å; E4-F318 HydrophobicContact CG-CD1 4.24Å; E4-F318 HydrophobicContact CG-CE1 3.68Å; E4-F318 HydrophobicContact CG-CZ 4.24Å |
| 5 | P | 97.4 | Very high | 93.6 | Very high | 14 Ų | 14 | 66.1 Ų | 66.1 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | S | Bend | cis | -77.9 | 164.4 | -2.3 | 32.3 | -32.2 | 0 | 0 | 0 | 112.7 | F10 Y11 E202 | P5-F10 CarbonylContact C-O 3.49Å; P5-F10 WeakPolarHBondContact CA-O 3.49Å; P5-F10 WeakPolarHBondContact CB-O 3.32Å; P5-Y11 HydrophobicContact CB-CD1 4.12Å; P5-Y11 HydrophobicContact CB-CD2 4.01Å; P5-Y11 HydrophobicContact CB-CE1 3.85Å; P5-Y11 HydrophobicContact CB-CE2 3.75Å; P5-Y11 HydrophobicContact CB-CG 4.18Å; P5-Y11 WeakPolarHBondContact CD-OH 3.36Å; P5-Y11 HydrophobicContact CG-CE1 4.09Å; P5-Y11 HydrophobicContact CG-CE2 4.14Å; P5-E202 HydrophobicContact CG-CB 4.37Å |
| 6 | N | 96.1 | Very high | 93.9 | Very high | 74 Ų | 74 | 62 Ų | 62 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 171.9 | 166.8 | 73.8 | 30.1 | 0 | 0 | 0 | 111.7 | A8 G9 F10 | N6-A8 PolarHBondContact O-N 2.62Å; N6-A8 WeakPolarHBondContact OD1-CA 3.26Å; N6-A8 WeakPolarHBondContact OD1-CB 3.39Å; N6-A8 PolarHBondContact OD1-N 3.28Å; N6-G9 PolarHBondContact O-N 2.99Å; N6-G9 PolarHBondContact OD1-N 3.33Å; N6-F10 PolarHBondContact N-O 2.89Å; N6-F10 PolarHBondContact OD1-N 3.41Å; N6-F10 VanDerWaalsContact OD1-N 3.13Å |
| 7 | K | 92.7 | Very high | 94 | Very high | 207 Ų | 207 | 61.7 Ų | 61.7 | 90% | 0.9 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20.1 | -178.3 | -67.5 | -171.2 | 178.4 | -175.8 | 0 | 115.3 | G9 | K7-G9 VanDerWaalsContact C-N 3.29Š|
| 8 | A | 93.9 | Very high | 94.1 | Very high | 57 Ų | 57 | 63.1 Ų | 63.1 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 1.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N6 F10 | N6-A8 PolarHBondContact O-N 2.62Å; N6-A8 WeakPolarHBondContact OD1-CA 3.26Å; N6-A8 WeakPolarHBondContact OD1-CB 3.39Å; N6-A8 PolarHBondContact OD1-N 3.28Å; A8-F10 HydrophobicContact CB-CD2 3.9Å; A8-F10 HydrophobicContact CB-CE2 4.3Å |
| 9 | G | 96.9 | Very high | 94 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 83.5 | 20.1 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | N6 K7 G16 H198 | N6-G9 PolarHBondContact O-N 2.99Å; N6-G9 PolarHBondContact OD1-N 3.33Å; K7-G9 VanDerWaalsContact C-N 3.29Å; G9-G16 PolarHBondContact O-N 2.79Å; G9-H198 WeakPolarHBondContact CA-ND1 2.95Å |
| 10 | F | 98.3 | Very high | 93.8 | Very high | 54 Ų | 54 | 62.3 Ų | 62.3 | 24% | 0.237 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 138.2 | 177.9 | -70.1 | -90.4 | 0 | 0 | 0 | 112.6 | P5 N6 A8 Y14 F18 | P5-F10 CarbonylContact C-O 3.49Å; P5-F10 WeakPolarHBondContact CA-O 3.49Å; P5-F10 WeakPolarHBondContact CB-O 3.32Å; N6-F10 PolarHBondContact N-O 2.89Å; N6-F10 PolarHBondContact OD1-N 3.41Å; N6-F10 VanDerWaalsContact OD1-N 3.13Å; A8-F10 HydrophobicContact CB-CD2 3.9Å; A8-F10 HydrophobicContact CB-CE2 4.3Å; F10-Y14 CarbonylContact C-O 3.55Å; F10-Y14 WeakPolarHBondContact CA-O 3.48Å; F10-Y14 WeakPolarHBondContact CB-O 3.45Å; F10-Y14 WeakPolarHBondContact CD1-O 3.4Å; F10-F18 AromaticContact CE1-CE2 4Å; F10-F18 HydrophobicContact CE1-CE2 4Å; F10-F18 HydrophobicContact CE1-CZ 4.29Å; F10-F18 HydrophobicContact CZ-CE2 4.08Å; F10-F18 HydrophobicContact CZ-CZ 4.23Å |
| 11 | Y | 98.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 96.3 | 167.6 | -56 | -97.3 | 0 | 0 | 0 | 107.5 | E4 P5 E13 Y14 P201 E202 P314 E315 F318 | E4-Y11 HydrophobicContact CB-CD1 3.46Å; E4-Y11 VanDerWaalsContact CB-CD1 3.46Å; E4-Y11 HydrophobicContact CB-CE1 4Å; E4-Y11 HydrophobicContact CB-CG 4.37Å; E4-Y11 HydrophobicContact CG-CD1 4.45Å; E4-Y11 WeakPolarHBondContact OE2-CA 3.35Å; P5-Y11 HydrophobicContact CB-CD1 4.12Å; P5-Y11 HydrophobicContact CB-CD2 4.01Å; P5-Y11 HydrophobicContact CB-CE1 3.85Å; P5-Y11 HydrophobicContact CB-CE2 3.75Å; P5-Y11 HydrophobicContact CB-CG 4.18Å; P5-Y11 WeakPolarHBondContact CD-OH 3.36Å; P5-Y11 HydrophobicContact CG-CE1 4.09Å; P5-Y11 HydrophobicContact CG-CE2 4.14Å; Y11-E13 PolarHBondContact O-N 2.51Å; Y11-Y14 PolarHBondContact N-O 2.71Å; Y11-Y14 PolarHBondContact O-N 3.16Å; Y11-P201 HydrophobicContact CE2-CB 4.13Å; Y11-E202 PolarHBondContact OH-N 3.22Å; Y11-P314 HydrophobicContact CD2-CB 4.09Å; Y11-P314 HydrophobicContact CD2-CG 4.11Å; Y11-P314 HydrophobicContact CE2-CG 4.1Å; Y11-E315 HydrophobicContact CD1-CB 3.58Å; Y11-E315 HydrophobicContact CD1-CG 3.47Å; Y11-E315 VanDerWaalsContact CD1-CG 3.47Å; Y11-E315 HydrophobicContact CD2-CB 4.27Å; Y11-E315 HydrophobicContact CE1-CB 3.61Å; Y11-E315 VanDerWaalsContact CE1-CD 3.41Å; Y11-E315 HydrophobicContact CE1-CG 3.52Å; Y11-E315 WeakPolarHBondContact CE1-OE1 3.5Å; Y11-E315 HydrophobicContact CE2-CB 4.28Å; Y11-E315 HydrophobicContact CG-CB 3.95Å; Y11-E315 HydrophobicContact CG-CG 4.28Å; Y11-F318 WeakPolarHBondContact O-CB 3.34Å |
| 12 | G | 96.6 | Very high | 94.5 | Very high | 39 Ų | 39 | 62.8 Ų | 62.8 | 40% | 0.402 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | -113.3 | -163.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 13 | E | 96.9 | Very high | 94.6 | Very high | 103 Ų | 103 | 61.2 Ų | 61.2 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -3.9 | 175.4 | 70.1 | 174.7 | 98.8 | 0 | 0 | 114.9 | Y11 K286 | Y11-E13 PolarHBondContact O-N 2.51Å; E13-K286 WeakPolarHBondContact O-CD 3.41Å; E13-K286 WeakPolarHBondContact OE2-CE 3.46Å; E13-K286 IonicContact OE2-NZ 3.61Å; E13-K286 PolarHBondContact OE2-NZ 3.14Å |
| 14 | Y | 98.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 55 Ų | 55 | 2% | 0.02 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 155.6 | -175.7 | -59.9 | -71.5 | 0 | 0 | 0 | 112 | F10 Y11 V279 K286 H288 P314 F318 D321 | F10-Y14 CarbonylContact C-O 3.55Å; F10-Y14 WeakPolarHBondContact CA-O 3.48Å; F10-Y14 WeakPolarHBondContact CB-O 3.45Å; F10-Y14 WeakPolarHBondContact CD1-O 3.4Å; Y11-Y14 PolarHBondContact N-O 2.71Å; Y11-Y14 PolarHBondContact O-N 3.16Å; Y14-V279 HydrophobicContact CE1-CG1 3.94Å; Y14-V279 HydrophobicContact CE1-CG2 3.83Å; Y14-V279 WeakPolarHBondContact OH-CG2 3.4Å; Y14-K286 CarbonylContact C-O 3.51Å; Y14-K286 WeakPolarHBondContact CA-O 3.38Å; Y14-H288 AromaticContact CE1-ND1 3.95Å; Y14-H288 AromaticContact CZ-CE1 3.73Å; Y14-H288 PolarHBondContact OH-CE1 3.01Å; Y14-P314 WeakPolarHBondContact CB-O 3.44Å; Y14-F318 HydrophobicContact CD2-CB 3.88Å; Y14-D321 HydrophobicContact CE2-CB 4.35Å; Y14-D321 WeakPolarHBondContact CE2-OD2 3.28Å; Y14-D321 VanDerWaalsContact CZ-OD2 3.22Å; Y14-D321 VanDerWaalsContact OH-CG 3.23Å; Y14-D321 PolarHBondContact OH-OD1 3.11Å; Y14-D321 PolarHBondContact OH-OD2 3.21Å |
| 15 | G | 98.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.3 | -131 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F18 A285 K286 P314 | G15-F18 WeakPolarHBondContact O-CD2 3.49Å; G15-F18 VanDerWaalsContact O-CE2 3.24Å; G15-F18 WeakPolarHBondContact O-CE2 3.27Å; G15-A285 WeakPolarHBondContact O-CA 3.44Å; G15-K286 PolarHBondContact N-O 2.84Å; G15-K286 PolarHBondContact O-N 3.49Å; G15-P314 VanDerWaalsContact CA-CB 3.4Å |
| 16 | G | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | 81.3 | -165.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G9 P197 H198 | G9-G16 PolarHBondContact O-N 2.79Å; G16-P197 WeakPolarHBondContact O-CA 3.4Å; G16-H198 PolarHBondContact O-N 3.09Å | ||
| 17 | K | 96.4 | Very high | 94.6 | Very high | 57 Ų | 57 | 55.9 Ų | 55.9 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | trans | -129.8 | 74.7 | -177.1 | -61.9 | 179.7 | -178 | 179.9 | 0 | 110.4 | V19 M24 I27 E31 P197 H198 | K17-V19 VanDerWaalsContact C-N 3.26Å; K17-V19 PolarHBondContact O-N 3.29Å; K17-V19 VanDerWaalsContact O-N 3.11Å; K17-M24 HydrophobicContact CD-CE 3.99Å; K17-M24 HydrophobicContact CD-SD 4.49Å; K17-I27 HydrophobicContact CD-CG2 3.91Å; K17-E31 IonicContact NZ-OE2 3.36Å; K17-E31 PolarHBondContact NZ-OE2 2.67Å; K17-P197 HydrophobicContact CB-CB 4.46Å; K17-P197 HydrophobicContact CG-CB 4.48Å; K17-H198 VanDerWaalsContact CE-CD2 3.46Å; K17-H198 WeakPolarHBondContact CE-CD2 3.48Å; K17-H198 VanDerWaalsContact CE-O 3.31Å; K17-H198 WeakPolarHBondContact CE-O 3.46Å; K17-H198 HydrophobicContact CG-CB 3.96Å | ||
| 18 | F | 95.4 | Very high | 94.8 | Very high | 86 Ų | 86 | 50.3 Ų | 50.3 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | trans | -88 | 60 | -179.4 | -65.7 | -89.4 | 0 | 0 | 0 | 111.6 | F10 G15 I281 G284 K286 | F10-F18 AromaticContact CE1-CE2 4Å; F10-F18 HydrophobicContact CE1-CE2 4Å; F10-F18 HydrophobicContact CE1-CZ 4.29Å; F10-F18 HydrophobicContact CZ-CE2 4.08Å; F10-F18 HydrophobicContact CZ-CZ 4.23Å; G15-F18 WeakPolarHBondContact O-CD2 3.49Å; G15-F18 VanDerWaalsContact O-CE2 3.24Å; G15-F18 WeakPolarHBondContact O-CE2 3.27Å; F18-I281 HydrophobicContact CB-CG2 3.52Å; F18-I281 HydrophobicContact CD1-CD1 3.51Å; F18-I281 HydrophobicContact CD1-CG1 4.07Å; F18-I281 HydrophobicContact CD1-CG2 4.04Å; F18-I281 HydrophobicContact CD2-CG1 4.44Å; F18-I281 HydrophobicContact CD2-CG2 4.3Å; F18-I281 HydrophobicContact CE1-CD1 3.41Å; F18-I281 VanDerWaalsContact CE1-CD1 3.41Å; F18-I281 HydrophobicContact CE1-CG1 4.1Å; F18-I281 HydrophobicContact CE2-CG1 4.48Å; F18-I281 HydrophobicContact CG-CD1 4.17Å; F18-I281 HydrophobicContact CG-CG1 4.23Å; F18-I281 HydrophobicContact CG-CG2 3.7Å; F18-I281 HydrophobicContact CZ-CD1 4.01Å; F18-I281 HydrophobicContact CZ-CG1 4.31Å; F18-G284 PolarHBondContact N-O 3.43Å; F18-G284 WeakPolarHBondContact O-CA 3.3Å; F18-K286 HydrophobicContact CD2-CB 4.38Å; F18-K286 HydrophobicContact CE2-CB 3.67Å; F18-K286 HydrophobicContact CZ-CB 4.16Å | ||
| 19 | V | 92.2 | Very high | 94.9 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 19% | 0.194 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -122.9 | 160.4 | -175.2 | -70 | 0 | 0 | 0 | 0 | 112 | K17 L23 M24 I27 P197 | K17-V19 VanDerWaalsContact C-N 3.26Å; K17-V19 PolarHBondContact O-N 3.29Å; K17-V19 VanDerWaalsContact O-N 3.11Å; V19-L23 HydrophobicContact CB-CB 4.39Å; V19-L23 HydrophobicContact CB-CD1 4.28Å; V19-L23 HydrophobicContact CG1-CD1 4.35Å; V19-L23 HydrophobicContact CG2-CB 4.37Å; V19-M24 HydrophobicContact CG2-SD 3.81Å; V19-I27 HydrophobicContact CB-CD1 4.38Å; V19-I27 HydrophobicContact CG1-CD1 4.25Å; V19-I27 HydrophobicContact CG2-CD1 3.59Å; V19-P197 HydrophobicContact CG1-CB 3.82Å; V19-P197 HydrophobicContact CG1-CG 3.72Å |
| 20 | P | 89.9 | Confident | 94.9 | Very high | 78 Ų | 78 | 49.7 Ų | 49.7 | 51% | 0.506 | 25% | 0.252 | S | S | . | . | trans | -59.5 | 147.1 | 169.7 | -22 | 33.7 | 0 | 0 | 0 | 111.9 | T22 L23 | P20-T22 PolarHBondContact O-N 2.94Å; P20-L23 PolarHBondContact O-N 3.38Å | ||
| 21 | E | 91.5 | Very high | 94.9 | Very high | 159 Ų | 159 | 49.2 Ų | 49.2 | 74% | 0.743 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -53.7 | -31.4 | 178.6 | -172.9 | 60.1 | -153.7 | 0 | 0 | 112.7 | L23 M24 | E21-L23 PolarHBondContact O-N 2.88Å; E21-L23 VanDerWaalsContact O-N 3.13Å; E21-M24 WeakPolarHBondContact O-CB 3.39Å; E21-M24 PolarHBondContact O-N 3.23Å |
| 22 | T | 89.3 | Confident | 94.9 | Very high | 96 Ų | 96 | 55.8 Ų | 55.8 | 59% | 0.589 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -61.7 | -20 | 178.4 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | P20 | P20-T22 PolarHBondContact O-N 2.94Š|
| 23 | L | 90.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -92.6 | -12.3 | 175.2 | -74.9 | 178.2 | 0 | 0 | 0 | 113.9 | V19 P20 E21 Y25 A26 I27 W180 V181 | V19-L23 HydrophobicContact CB-CB 4.39Å; V19-L23 HydrophobicContact CB-CD1 4.28Å; V19-L23 HydrophobicContact CG1-CD1 4.35Å; V19-L23 HydrophobicContact CG2-CB 4.37Å; P20-L23 PolarHBondContact O-N 3.38Å; E21-L23 PolarHBondContact O-N 2.88Å; E21-L23 VanDerWaalsContact O-N 3.13Å; L23-Y25 VanDerWaalsContact C-N 3.28Å; L23-Y25 PolarHBondContact O-N 3.28Å; L23-A26 WeakPolarHBondContact O-CB 2.93Å; L23-A26 PolarHBondContact O-N 3.08Å; L23-A26 VanDerWaalsContact O-N 3.14Å; L23-I27 HydrophobicContact CB-CD1 4.11Å; L23-I27 WeakPolarHBondContact O-CG1 3.5Å; L23-I27 PolarHBondContact O-N 3.41Å; L23-W180 HydrophobicContact CD1-CE3 4.39Å; L23-W180 HydrophobicContact CD1-CZ3 4.33Å; L23-W180 HydrophobicContact CD2-CD2 4.14Å; L23-W180 HydrophobicContact CD2-CE3 3.79Å; L23-W180 HydrophobicContact CD2-CZ3 4Å; L23-V181 HydrophobicContact CD1-CG2 3.74Å; L23-V181 HydrophobicContact CD2-CB 4.2Å; L23-V181 HydrophobicContact CD2-CG2 3.5Å; L23-V181 VanDerWaalsContact CD2-CG2 3.5Å; L23-V181 HydrophobicContact CG-CG2 3.61Å |
| 24 | M | 93.2 | Very high | 95 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 16% | 0.163 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.4 | -36.5 | -171.5 | -73 | -57.9 | -58.2 | 0 | 0 | 112.5 | K17 V19 E21 I27 Q28 | K17-M24 HydrophobicContact CD-CE 3.99Å; K17-M24 HydrophobicContact CD-SD 4.49Å; V19-M24 HydrophobicContact CG2-SD 3.81Å; E21-M24 WeakPolarHBondContact O-CB 3.39Å; E21-M24 PolarHBondContact O-N 3.23Å; M24-I27 PolarHBondContact O-N 2.88Å; M24-Q28 WeakPolarHBondContact O-CB 3.28Å; M24-Q28 VanDerWaalsContact O-CG 3.23Å; M24-Q28 WeakPolarHBondContact O-CG 3.4Å; M24-Q28 PolarHBondContact O-N 2.92Å |
| 25 | Y | 91.9 | Very high | 94.9 | Very high | 153 Ų | 153 | 53.2 Ų | 53.2 | 60% | 0.6 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.9 | -48.4 | 175 | 177.2 | -103.1 | 0 | 0 | 0 | 112.2 | L23 I27 Q28 E29 | L23-Y25 VanDerWaalsContact C-N 3.28Å; L23-Y25 PolarHBondContact O-N 3.28Å; Y25-I27 VanDerWaalsContact C-N 3.31Å; Y25-I27 PolarHBondContact O-N 3.43Å; Y25-Q28 PolarHBondContact O-N 3.48Å; Y25-E29 WeakPolarHBondContact O-CB 3.35Å; Y25-E29 PolarHBondContact O-N 3.29Å |
| 26 | A | 93.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L23 L30 W180 V184 | L23-A26 WeakPolarHBondContact O-CB 2.93Å; L23-A26 PolarHBondContact O-N 3.08Å; L23-A26 VanDerWaalsContact O-N 3.14Å; A26-L30 VanDerWaalsContact O-CB 3.28Å; A26-L30 WeakPolarHBondContact O-CB 3.31Å; A26-L30 PolarHBondContact O-N 2.82Å; A26-W180 HydrophobicContact CB-CH2 4.1Å; A26-W180 HydrophobicContact CB-CZ2 3.56Å; A26-V184 HydrophobicContact CB-CG2 3.14Å |
| 27 | I | 95 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.8 | -39.5 | -178.8 | -73.7 | 168.5 | 0 | 0 | 0 | 110.6 | K17 V19 L23 M24 Y25 E31 W180 P197 H198 | K17-I27 HydrophobicContact CD-CG2 3.91Å; V19-I27 HydrophobicContact CB-CD1 4.38Å; V19-I27 HydrophobicContact CG1-CD1 4.25Å; V19-I27 HydrophobicContact CG2-CD1 3.59Å; L23-I27 HydrophobicContact CB-CD1 4.11Å; L23-I27 WeakPolarHBondContact O-CG1 3.5Å; L23-I27 PolarHBondContact O-N 3.41Å; M24-I27 PolarHBondContact O-N 2.88Å; Y25-I27 VanDerWaalsContact C-N 3.31Å; Y25-I27 PolarHBondContact O-N 3.43Å; I27-E31 VanDerWaalsContact O-CB 3.31Å; I27-E31 WeakPolarHBondContact O-CB 3.41Å; I27-E31 PolarHBondContact O-N 3.02Å; I27-W180 HydrophobicContact CG1-CH2 4.02Å; I27-P197 HydrophobicContact CD1-CB 4.19Å; I27-P197 HydrophobicContact CD1-CG 3.87Å; I27-H198 WeakPolarHBondContact CG2-O 3.4Å |
| 28 | Q | 95.8 | Very high | 94.9 | Very high | 91 Ų | 91 | 56.8 Ų | 56.8 | 43% | 0.425 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 174.7 | -73.7 | 169.8 | -0.4 | 0 | 0 | 111.4 | M24 Y25 L30 E31 E32 | M24-Q28 WeakPolarHBondContact O-CB 3.28Å; M24-Q28 VanDerWaalsContact O-CG 3.23Å; M24-Q28 WeakPolarHBondContact O-CG 3.4Å; M24-Q28 PolarHBondContact O-N 2.92Å; Y25-Q28 PolarHBondContact O-N 3.48Å; Q28-L30 VanDerWaalsContact C-N 3.3Å; Q28-L30 PolarHBondContact O-N 2.91Å; Q28-E31 PolarHBondContact O-N 2.87Å; Q28-E32 WeakPolarHBondContact O-CB 3.25Å; Q28-E32 WeakPolarHBondContact O-CG 3.21Å; Q28-E32 PolarHBondContact O-N 3.12Å |
| 29 | E | 96.7 | Very high | 94.9 | Very high | 43 Ų | 43 | 60.5 Ų | 60.5 | 20% | 0.201 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.6 | -44.7 | 175 | -179.5 | -176.3 | -141.9 | 0 | 0 | 111.5 | Y25 T33 M104 K106 | Y25-E29 WeakPolarHBondContact O-CB 3.35Å; Y25-E29 PolarHBondContact O-N 3.29Å; E29-T33 VanDerWaalsContact O-CB 3.28Å; E29-T33 WeakPolarHBondContact O-CB 3.45Å; E29-T33 PolarHBondContact O-N 2.96Å; E29-T33 PolarHBondContact O-OG1 2.6Å; E29-M104 HydrophobicContact CG-SD 4.11Å; E29-K106 IonicContact OE1-NZ 3.66Å; E29-K106 WeakPolarHBondContact OE2-CE 3.44Å; E29-K106 IonicContact OE2-NZ 2.63Å; E29-K106 PolarHBondContact OE2-NZ 3.31Å |
| 30 | L | 97.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62 | -48.2 | 176.3 | 176.4 | 60.4 | 0 | 0 | 0 | 111.7 | A26 Q28 T33 Y34 L100 M104 P199 F200 I203 | A26-L30 VanDerWaalsContact O-CB 3.28Å; A26-L30 WeakPolarHBondContact O-CB 3.31Å; A26-L30 PolarHBondContact O-N 2.82Å; Q28-L30 VanDerWaalsContact C-N 3.3Å; Q28-L30 PolarHBondContact O-N 2.91Å; L30-T33 PolarHBondContact O-N 2.88Å; L30-Y34 WeakPolarHBondContact O-CB 3.18Å; L30-Y34 PolarHBondContact O-N 2.84Å; L30-L100 HydrophobicContact CD1-CD1 4.22Å; L30-M104 HydrophobicContact CB-SD 4.39Å; L30-M104 HydrophobicContact CD1-CE 3.92Å; L30-M104 HydrophobicContact CD1-SD 4.22Å; L30-P199 HydrophobicContact CB-CG 4.46Å; L30-P199 HydrophobicContact CD2-CG 3.91Å; L30-P199 HydrophobicContact CG-CG 3.84Å; L30-F200 HydrophobicContact CD2-CD1 4.12Å; L30-F200 HydrophobicContact CD2-CE1 3.62Å; L30-F200 HydrophobicContact CD2-CE2 4.1Å; L30-F200 HydrophobicContact CD2-CZ 3.61Å; L30-I203 HydrophobicContact CD1-CD1 3.8Å; L30-I203 HydrophobicContact CD2-CD1 3.97Å; L30-I203 HydrophobicContact CG-CD1 3.76Å |
| 31 | E | 97.4 | Very high | 95.6 | Very high | 44 Ų | 44 | 62.2 Ų | 62.2 | 21% | 0.206 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.9 | -47.9 | -179.9 | -178.4 | 172.2 | -163.4 | 0 | 0 | 111.7 | K17 I27 Q28 T33 Y34 E35 H198 P199 | K17-E31 IonicContact NZ-OE2 3.36Å; K17-E31 PolarHBondContact NZ-OE2 2.67Å; I27-E31 VanDerWaalsContact O-CB 3.31Å; I27-E31 WeakPolarHBondContact O-CB 3.41Å; I27-E31 PolarHBondContact O-N 3.02Å; Q28-E31 PolarHBondContact O-N 2.87Å; E31-T33 PolarHBondContact O-N 2.76Å; E31-Y34 PolarHBondContact O-N 3.19Å; E31-E35 WeakPolarHBondContact O-CB 3.17Å; E31-E35 PolarHBondContact O-N 3.04Å; E31-H198 IonicContact OE1-CD2 2.8Å; E31-H198 PolarHBondContact OE1-CD2 3.37Å; E31-H198 IonicContact OE1-NE2 3.64Å; E31-H198 PolarHBondContact OE1-NE2 2.93Å; E31-H198 IonicContact OE2-CD2 3.54Å; E31-H198 IonicContact OE2-NE2 3.29Å; E31-P199 HydrophobicContact CB-CB 4.32Å; E31-P199 HydrophobicContact CB-CG 3.94Å; E31-P199 HydrophobicContact CG-CB 4.45Å |
| 32 | E | 97.5 | Very high | 95.9 | Very high | 139 Ų | 139 | 57.7 Ų | 57.7 | 65% | 0.65 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.5 | -45.5 | 177.8 | -71.9 | 178.4 | -174.6 | 0 | 0 | 111.5 | Q28 Y34 A36 | Q28-E32 WeakPolarHBondContact O-CB 3.25Å; Q28-E32 WeakPolarHBondContact O-CG 3.21Å; Q28-E32 PolarHBondContact O-N 3.12Å; E32-Y34 VanDerWaalsContact C-N 3.35Å; E32-A36 WeakPolarHBondContact O-CB 3.34Å; E32-A36 PolarHBondContact O-N 3.37Å |
| 33 | T | 98 | Very high | 96.3 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 16% | 0.16 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 179.3 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | E29 L30 E31 A36 S37 L100 K103 M104 | E29-T33 VanDerWaalsContact O-CB 3.28Å; E29-T33 WeakPolarHBondContact O-CB 3.45Å; E29-T33 PolarHBondContact O-N 2.96Å; E29-T33 PolarHBondContact O-OG1 2.6Å; L30-T33 PolarHBondContact O-N 2.88Å; E31-T33 PolarHBondContact O-N 2.76Å; T33-A36 PolarHBondContact O-N 3Å; T33-S37 WeakPolarHBondContact O-CB 3.49Å; T33-S37 PolarHBondContact O-N 3.43Å; T33-L100 HydrophobicContact CG2-CD2 4.31Å; T33-K103 HydrophobicContact CG2-CB 4.3Å; T33-K103 HydrophobicContact CG2-CD 3.85Å; T33-K103 HydrophobicContact CG2-CG 4.14Å; T33-M104 HydrophobicContact CG2-CG 3.61Å; T33-M104 WeakPolarHBondContact OG1-CG 3.29Å |
| 34 | Y | 98.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.3 | -50.8 | 177 | 175 | -119.2 | 0 | 0 | 0 | 111.7 | L30 E31 E32 A36 S37 K38 L100 E202 I203 D206 | L30-Y34 WeakPolarHBondContact O-CB 3.18Å; L30-Y34 PolarHBondContact O-N 2.84Å; E31-Y34 PolarHBondContact O-N 3.19Å; E32-Y34 VanDerWaalsContact C-N 3.35Å; Y34-A36 VanDerWaalsContact C-N 3.29Å; Y34-A36 PolarHBondContact O-N 3.04Å; Y34-S37 WeakPolarHBondContact O-CA 3.4Å; Y34-S37 WeakPolarHBondContact O-CB 3.49Å; Y34-S37 PolarHBondContact O-N 3.41Å; Y34-S37 PolarHBondContact O-OG 3.32Å; Y34-K38 HydrophobicContact CD1-CD 4.2Å; Y34-K38 HydrophobicContact CE1-CD 3.65Å; Y34-K38 HydrophobicContact CE1-CG 4.45Å; Y34-K38 HydrophobicContact CE2-CD 4.23Å; Y34-K38 HydrophobicContact CE2-CG 4.15Å; Y34-K38 PolarHBondContact O-N 3.01Å; Y34-L100 HydrophobicContact CD2-CD1 3.99Å; Y34-E202 HydrophobicContact CE1-CG 4.21Å; Y34-I203 HydrophobicContact CD1-CD1 4.19Å; Y34-I203 HydrophobicContact CD1-CG1 3.59Å; Y34-I203 HydrophobicContact CD2-CD1 4.17Å; Y34-I203 HydrophobicContact CD2-CG1 3.66Å; Y34-I203 HydrophobicContact CE1-CG1 3.75Å; Y34-I203 HydrophobicContact CE2-CB 4.4Å; Y34-I203 HydrophobicContact CE2-CG1 3.81Å; Y34-I203 HydrophobicContact CG-CD1 3.84Å; Y34-I203 HydrophobicContact CG-CG1 3.53Å; Y34-D206 WeakPolarHBondContact OH-CB 3.33Å; Y34-D206 PolarHBondContact OH-OD2 3.28Å |
| 35 | E | 97.3 | Very high | 96.9 | Very high | 63 Ų | 63 | 62.4 Ų | 62.4 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.3 | -37.3 | 178.5 | -80.1 | -60.2 | 127 | 0 | 0 | 112.7 | E31 K38 | E31-E35 WeakPolarHBondContact O-CB 3.17Å; E31-E35 PolarHBondContact O-N 3.04Å; E35-K38 WeakPolarHBondContact OE1-CD 3.49Å; E35-K38 IonicContact OE1-NZ 3.33Å; E35-K38 PolarHBondContact OE1-NZ 3.02Å; E35-K38 IonicContact OE2-NZ 2.86Å |
| 36 | A | 98.1 | Very high | 97.2 | Very high | 56 Ų | 56 | 58 Ų | 58 | 46% | 0.463 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E32 T33 Y34 K38 K39 D40 | E32-A36 WeakPolarHBondContact O-CB 3.34Å; E32-A36 PolarHBondContact O-N 3.37Å; T33-A36 PolarHBondContact O-N 3Å; Y34-A36 VanDerWaalsContact C-N 3.29Å; Y34-A36 PolarHBondContact O-N 3.04Å; A36-K38 VanDerWaalsContact C-N 3.35Å; A36-K38 PolarHBondContact O-N 3.09Å; A36-K39 PolarHBondContact O-N 2.69Å; A36-D40 PolarHBondContact O-N 2.55Å |
| 37 | S | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.2 | -31.6 | -178.4 | 81.7 | 0 | 0 | 0 | 0 | 113.8 | T33 Y34 K39 D40 Q44 | T33-S37 WeakPolarHBondContact O-CB 3.49Å; T33-S37 PolarHBondContact O-N 3.43Å; Y34-S37 WeakPolarHBondContact O-CA 3.4Å; Y34-S37 WeakPolarHBondContact O-CB 3.49Å; Y34-S37 PolarHBondContact O-N 3.41Å; Y34-S37 PolarHBondContact O-OG 3.32Å; S37-K39 PolarHBondContact O-N 2.94Å; S37-D40 PolarHBondContact O-N 2.86Å; S37-Q44 PolarHBondContact O-NE2 3.21Å |
| 38 | K | 95.7 | Very high | 97.6 | Very high | 78 Ų | 78 | 62.6 Ų | 62.6 | 34% | 0.339 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.6 | -33.8 | 175.4 | -75.7 | 166.3 | 70.7 | 173.1 | 0 | 112 | Y34 E35 A36 E202 | Y34-K38 HydrophobicContact CD1-CD 4.2Å; Y34-K38 HydrophobicContact CE1-CD 3.65Å; Y34-K38 HydrophobicContact CE1-CG 4.45Å; Y34-K38 HydrophobicContact CE2-CD 4.23Å; Y34-K38 HydrophobicContact CE2-CG 4.15Å; Y34-K38 PolarHBondContact O-N 3.01Å; E35-K38 WeakPolarHBondContact OE1-CD 3.49Å; E35-K38 IonicContact OE1-NZ 3.33Å; E35-K38 PolarHBondContact OE1-NZ 3.02Å; E35-K38 IonicContact OE2-NZ 2.86Å; A36-K38 VanDerWaalsContact C-N 3.35Å; A36-K38 PolarHBondContact O-N 3.09Å; K38-E202 IonicContact NZ-OE1 2.77Å; K38-E202 PolarHBondContact NZ-OE1 3.27Å |
| 39 | K | 95.6 | Very high | 97.7 | Very high | 164 Ų | 164 | 64.8 Ų | 64.8 | 71% | 0.713 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -2.9 | -176.5 | -61.2 | 170.7 | -170.4 | 161.5 | 0 | 113.1 | A36 S37 P41 | A36-K39 PolarHBondContact O-N 2.69Å; S37-K39 PolarHBondContact O-N 2.94Å; K39-P41 VanDerWaalsContact O-CD 3.28Å; K39-P41 WeakPolarHBondContact O-CD 3.42Å |
| 40 | D | 98 | Very high | 97.8 | Very high | 42 Ų | 42 | 65 Ų | 65 | 23% | 0.225 | 33% | 0.327 | C | S | . | . | trans | -91.6 | 107.2 | -176 | 179.6 | -4.3 | 0 | 0 | 0 | 111.2 | A36 S37 A42 F43 Q44 K103 | A36-D40 PolarHBondContact O-N 2.55Å; S37-D40 PolarHBondContact O-N 2.86Å; D40-A42 PolarHBondContact O-N 3.26Å; D40-A42 WeakPolarHBondContact OD1-CB 3.11Å; D40-A42 PolarHBondContact OD1-N 3.4Å; D40-F43 HydrophobicContact CB-CB 3.92Å; D40-F43 PolarHBondContact O-N 3.37Å; D40-F43 PolarHBondContact OD1-N 2.99Å; D40-Q44 WeakPolarHBondContact O-CG 3.35Å; D40-Q44 PolarHBondContact O-N 3.41Å; D40-Q44 VanDerWaalsContact O-N 3.08Å; D40-K103 IonicContact OD2-NZ 3.15Å; D40-K103 PolarHBondContact OD2-NZ 2.8Å | ||
| 41 | P | 98.2 | Very high | 97.9 | Very high | 105 Ų | 105 | 65.6 Ų | 65.6 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.3 | -27.1 | -179.2 | -20.6 | 34.3 | 0 | 0 | 0 | 113.3 | K39 K45 | K39-P41 VanDerWaalsContact O-CD 3.28Å; K39-P41 WeakPolarHBondContact O-CD 3.42Å; P41-K45 WeakPolarHBondContact O-CB 3.26Å; P41-K45 PolarHBondContact O-N 3.46Å |
| 42 | A | 98.3 | Very high | 97.9 | Very high | 64 Ų | 64 | 69.9 Ų | 69.9 | 53% | 0.529 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.9 | -43.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | D40 K45 E46 | D40-A42 PolarHBondContact O-N 3.26Å; D40-A42 WeakPolarHBondContact OD1-CB 3.11Å; D40-A42 PolarHBondContact OD1-N 3.4Å; A42-K45 PolarHBondContact O-N 2.84Å; A42-E46 PolarHBondContact O-N 3.25Å |
| 43 | F | 98.3 | Very high | 98 | Very high | 7 Ų | 7 | 69 Ų | 69 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | 174.3 | -174.6 | -86.1 | 0 | 0 | 0 | 111.4 | D40 K45 E46 L47 L99 L100 K103 Y207 | D40-F43 HydrophobicContact CB-CB 3.92Å; D40-F43 PolarHBondContact O-N 3.37Å; D40-F43 PolarHBondContact OD1-N 2.99Å; F43-K45 VanDerWaalsContact C-N 3.3Å; F43-K45 PolarHBondContact O-N 3.39Å; F43-E46 PolarHBondContact O-N 3.02Å; F43-L47 HydrophobicContact CE1-CD2 4.24Å; F43-L47 PolarHBondContact O-N 3.07Å; F43-L99 HydrophobicContact CD2-CD2 4.15Å; F43-L99 HydrophobicContact CD2-CG 4.16Å; F43-L99 HydrophobicContact CE1-CD2 4.34Å; F43-L99 HydrophobicContact CE2-CB 4.2Å; F43-L99 HydrophobicContact CE2-CD2 3.8Å; F43-L99 HydrophobicContact CE2-CG 3.58Å; F43-L99 HydrophobicContact CZ-CB 4.27Å; F43-L99 HydrophobicContact CZ-CD2 3.89Å; F43-L99 HydrophobicContact CZ-CG 3.98Å; F43-L100 HydrophobicContact CE2-CD2 3.87Å; F43-L100 HydrophobicContact CE2-CG 4.35Å; F43-L100 HydrophobicContact CZ-CD2 3.72Å; F43-L100 HydrophobicContact CZ-CG 3.97Å; F43-K103 HydrophobicContact CD2-CD 3.95Å; F43-K103 HydrophobicContact CE2-CD 4.29Å; F43-Y207 HydrophobicContact CE1-CE1 4.39Å |
| 44 | Q | 97.9 | Very high | 98 | Very high | 61 Ų | 61 | 71.8 Ų | 71.8 | 29% | 0.285 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 178.8 | -62.9 | -56.5 | -41.8 | 0 | 0 | 111.8 | S37 D40 N48 | S37-Q44 PolarHBondContact O-NE2 3.21Å; D40-Q44 WeakPolarHBondContact O-CG 3.35Å; D40-Q44 PolarHBondContact O-N 3.41Å; D40-Q44 VanDerWaalsContact O-N 3.08Å; Q44-N48 WeakPolarHBondContact O-CB 3.45Å; Q44-N48 PolarHBondContact O-N 2.81Å; Q44-N48 PolarHBondContact O-ND2 3.47Å |
| 45 | K | 98.4 | Very high | 98 | Very high | 164 Ų | 164 | 71.9 Ų | 71.9 | 71% | 0.713 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 175.8 | -175.5 | -177.6 | 178.4 | -175.1 | 0 | 111.9 | P41 A42 F43 Y49 | P41-K45 WeakPolarHBondContact O-CB 3.26Å; P41-K45 PolarHBondContact O-N 3.46Å; A42-K45 PolarHBondContact O-N 2.84Å; F43-K45 VanDerWaalsContact C-N 3.3Å; F43-K45 PolarHBondContact O-N 3.39Å; K45-Y49 WeakPolarHBondContact O-CB 3.46Å; K45-Y49 PolarHBondContact O-N 2.7Å |
| 46 | E | 98.4 | Very high | 98.1 | Very high | 61 Ų | 61 | 71 Ų | 71 | 29% | 0.285 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.1 | -47 | 178.5 | -172.6 | 171.6 | -175.1 | 0 | 0 | 111.2 | A42 F43 N48 Y49 Y50 L99 K102 | A42-E46 PolarHBondContact O-N 3.25Å; F43-E46 PolarHBondContact O-N 3.02Å; E46-N48 PolarHBondContact O-N 2.93Å; E46-Y49 WeakPolarHBondContact O-CB 3.33Å; E46-Y49 PolarHBondContact O-N 2.88Å; E46-Y50 HydrophobicContact CG-CD2 4.04Å; E46-Y50 HydrophobicContact CG-CE2 3.6Å; E46-Y50 WeakPolarHBondContact O-CD2 3.32Å; E46-Y50 PolarHBondContact O-N 3.39Å; E46-L99 HydrophobicContact CB-CD2 4.35Å; E46-L99 HydrophobicContact CG-CD1 4.15Å; E46-L99 HydrophobicContact CG-CD2 4.23Å; E46-K102 IonicContact OE1-NZ 2.82Å; E46-K102 PolarHBondContact OE1-NZ 2.77Å |
| 47 | L | 98.3 | Very high | 98.1 | Very high | 10 Ų | 10 | 69.2 Ų | 69.2 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 176.2 | -178.8 | 58.1 | 0 | 0 | 0 | 111.6 | F43 Y49 Y50 L51 L95 L99 Y207 | F43-L47 HydrophobicContact CE1-CD2 4.24Å; F43-L47 PolarHBondContact O-N 3.07Å; L47-Y49 VanDerWaalsContact C-N 3.28Å; L47-Y49 PolarHBondContact O-N 2.79Å; L47-Y50 PolarHBondContact O-N 3.05Å; L47-L51 HydrophobicContact CD1-CD1 4.33Å; L47-L51 HydrophobicContact CD1-CG 4.25Å; L47-L51 HydrophobicContact CG-CD1 4.04Å; L47-L51 HydrophobicContact CG-CG 4.4Å; L47-L51 WeakPolarHBondContact O-CG 3.42Å; L47-L51 PolarHBondContact O-N 3.38Å; L47-L95 HydrophobicContact CD1-CB 4.41Å; L47-L99 HydrophobicContact CB-CD2 3.96Å; L47-Y207 HydrophobicContact CD2-CD1 3.88Å; L47-Y207 HydrophobicContact CD2-CE1 3.74Å |
| 48 | N | 98.2 | Very high | 98.1 | Very high | 92 Ų | 92 | 73.8 Ų | 73.8 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.7 | -32.9 | 178.8 | -74.8 | -38.7 | 0 | 0 | 0 | 112.7 | Q44 E46 K52 | Q44-N48 WeakPolarHBondContact O-CB 3.45Å; Q44-N48 PolarHBondContact O-N 2.81Å; Q44-N48 PolarHBondContact O-ND2 3.47Å; E46-N48 PolarHBondContact O-N 2.93Å; N48-K52 WeakPolarHBondContact O-CB 3.47Å; N48-K52 PolarHBondContact O-N 2.74Å |
| 49 | Y | 98.7 | Very high | 98.2 | Very high | 137 Ų | 137 | 70.3 Ų | 70.3 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 173.4 | 173.2 | -92.6 | 0 | 0 | 0 | 111 | K45 E46 L47 K52 Q53 | K45-Y49 WeakPolarHBondContact O-CB 3.46Å; K45-Y49 PolarHBondContact O-N 2.7Å; E46-Y49 WeakPolarHBondContact O-CB 3.33Å; E46-Y49 PolarHBondContact O-N 2.88Å; L47-Y49 VanDerWaalsContact C-N 3.28Å; L47-Y49 PolarHBondContact O-N 2.79Å; Y49-K52 PolarHBondContact O-N 2.89Å; Y49-Q53 HydrophobicContact CD2-CG 3.89Å; Y49-Q53 HydrophobicContact CE1-CB 4.45Å; Y49-Q53 HydrophobicContact CE2-CB 4.28Å; Y49-Q53 HydrophobicContact CE2-CG 3.68Å; Y49-Q53 HydrophobicContact CG-CG 4.48Å; Y49-Q53 WeakPolarHBondContact O-CB 3.46Å; Y49-Q53 WeakPolarHBondContact O-CG 3.19Å; Y49-Q53 PolarHBondContact O-N 2.85Å |
| 50 | Y | 98.7 | Very high | 98.3 | Very high | 47 Ų | 47 | 65.7 Ų | 65.7 | 18% | 0.184 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.1 | -39.6 | -179.8 | -69.6 | -65.9 | 0 | 0 | 0 | 112.9 | E46 L47 K52 Y54 V55 L128 F129 | E46-Y50 HydrophobicContact CG-CD2 4.04Å; E46-Y50 HydrophobicContact CG-CE2 3.6Å; E46-Y50 WeakPolarHBondContact O-CD2 3.32Å; E46-Y50 PolarHBondContact O-N 3.39Å; L47-Y50 PolarHBondContact O-N 3.05Å; Y50-K52 PolarHBondContact O-N 2.84Å; Y50-Y54 WeakPolarHBondContact O-CA 3.33Å; Y50-Y54 VanDerWaalsContact O-CB 3.24Å; Y50-Y54 WeakPolarHBondContact O-CB 3.24Å; Y50-Y54 PolarHBondContact O-N 3.06Å; Y50-V55 PolarHBondContact O-N 3.22Å; Y50-L128 HydrophobicContact CD1-CD2 3.79Å; Y50-L128 HydrophobicContact CE1-CD1 4.18Å; Y50-L128 HydrophobicContact CE1-CD2 3.96Å; Y50-L128 HydrophobicContact CE1-CG 4.37Å; Y50-L128 HydrophobicContact CG-CD2 4.36Å; Y50-F129 HydrophobicContact CD2-CE1 4.21Å; Y50-F129 AromaticContact CD2-CZ 3.79Å; Y50-F129 HydrophobicContact CD2-CZ 3.79Å; Y50-F129 AromaticContact CE2-CE1 3.56Å; Y50-F129 HydrophobicContact CE2-CE1 3.56Å; Y50-F129 AromaticContact CE2-CZ 3.63Å; Y50-F129 HydrophobicContact CE2-CZ 3.63Å; Y50-F129 HydrophobicContact CG-CZ 4.44Å; Y50-F129 AromaticContact CZ-CE1 3.86Å |
| 51 | L | 98.5 | Very high | 98.4 | Very high | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -56.1 | -42.5 | 173 | -71.3 | 175.4 | 0 | 0 | 0 | 111 | L47 V55 G56 R57 L95 | L47-L51 HydrophobicContact CD1-CD1 4.33Å; L47-L51 HydrophobicContact CD1-CG 4.25Å; L47-L51 HydrophobicContact CG-CD1 4.04Å; L47-L51 HydrophobicContact CG-CG 4.4Å; L47-L51 WeakPolarHBondContact O-CG 3.42Å; L47-L51 PolarHBondContact O-N 3.38Å; L51-V55 HydrophobicContact CD2-CG2 4.39Å; L51-V55 WeakPolarHBondContact O-CB 3.44Å; L51-G56 PolarHBondContact O-N 3.27Å; L51-R57 HydrophobicContact CB-CG 4.39Å; L51-R57 VanDerWaalsContact O-CB 3.3Å; L51-R57 WeakPolarHBondContact O-CB 3.5Å; L51-R57 WeakPolarHBondContact O-CG 3.45Å; L51-R57 PolarHBondContact O-N 2.57Å; L51-L95 HydrophobicContact CD2-CD1 4.43Å |
| 52 | K | 98.5 | Very high | 98.4 | Very high | 134 Ų | 134 | 63.8 Ų | 63.8 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | I | π-helix | trans | -76.3 | -55.9 | 179.4 | -175.1 | 171.4 | -177.7 | 172 | 0 | 113.4 | N48 Y49 Y50 G56 | N48-K52 WeakPolarHBondContact O-CB 3.47Å; N48-K52 PolarHBondContact O-N 2.74Å; Y49-K52 PolarHBondContact O-N 2.89Å; Y50-K52 PolarHBondContact O-N 2.84Å; K52-G56 WeakPolarHBondContact O-CA 3.43Å; K52-G56 PolarHBondContact O-N 2.91Å |
| 53 | Q | 98.3 | Very high | 98.4 | Very high | 122 Ų | 122 | 64.3 Ų | 64.3 | 57% | 0.57 | 30% | 0.303 | S | S | * | . | I | π-helix | trans | -86.5 | -25.8 | -167 | -60.1 | -61.4 | -31.9 | 0 | 0 | 113.6 | Y49 | Y49-Q53 HydrophobicContact CD2-CG 3.89Å; Y49-Q53 HydrophobicContact CE1-CB 4.45Å; Y49-Q53 HydrophobicContact CE2-CB 4.28Å; Y49-Q53 HydrophobicContact CE2-CG 3.68Å; Y49-Q53 HydrophobicContact CG-CG 4.48Å; Y49-Q53 WeakPolarHBondContact O-CB 3.46Å; Y49-Q53 WeakPolarHBondContact O-CG 3.19Å; Y49-Q53 PolarHBondContact O-N 2.85Å |
| 54 | Y | 98.5 | Very high | 98.4 | Very high | 83 Ų | 83 | 64 Ų | 64 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -105 | -45.1 | -176.8 | -171.3 | -100.3 | 0 | 0 | 0 | 112 | Y50 H85 T124 L128 | Y50-Y54 WeakPolarHBondContact O-CA 3.33Å; Y50-Y54 VanDerWaalsContact O-CB 3.24Å; Y50-Y54 WeakPolarHBondContact O-CB 3.24Å; Y50-Y54 PolarHBondContact O-N 3.06Å; Y54-H85 AromaticContact CE1-CD2 3.53Å; Y54-H85 AromaticContact CE1-NE2 3.89Å; Y54-H85 AromaticContact CZ-CD2 3.99Å; Y54-H85 AromaticContact CZ-NE2 3.88Å; Y54-T124 HydrophobicContact CE1-CG2 3.91Å; Y54-T124 WeakPolarHBondContact OH-CG2 3.49Å; Y54-L128 HydrophobicContact CD1-CD2 3.95Å; Y54-L128 HydrophobicContact CD2-CD1 4.3Å; Y54-L128 HydrophobicContact CD2-CD2 4.48Å; Y54-L128 HydrophobicContact CE1-CD2 3.97Å; Y54-L128 HydrophobicContact CE2-CD1 4.04Å; Y54-L128 HydrophobicContact CG-CD2 4.21Å |
| 55 | V | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -77.7 | -37.9 | 176.8 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | Y50 L51 R57 N84 H85 I91 L95 | Y50-V55 PolarHBondContact O-N 3.22Å; L51-V55 HydrophobicContact CD2-CG2 4.39Å; L51-V55 WeakPolarHBondContact O-CB 3.44Å; V55-R57 HydrophobicContact CB-CG 4.37Å; V55-R57 HydrophobicContact CG1-CG 4.09Å; V55-N84 HydrophobicContact CG1-CB 3.94Å; V55-N84 VanDerWaalsContact CG1-OD1 3.27Å; V55-N84 WeakPolarHBondContact CG1-OD1 3.4Å; V55-H85 HydrophobicContact CG1-CB 4.45Å; V55-H85 PolarHBondContact O-N 3.24Å; V55-H85 VanDerWaalsContact O-N 3.07Å; V55-I91 HydrophobicContact CG1-CG2 3.62Å; V55-I91 HydrophobicContact CG2-CG1 3.86Å; V55-I91 HydrophobicContact CG2-CG2 4.08Å; V55-L95 HydrophobicContact CG2-CD1 3.21Å |
| 56 | G | 98.3 | Very high | 98.4 | Very high | 45 Ų | 45 | 64.2 Ų | 64.2 | 46% | 0.464 | 30% | 0.299 | S | S | . | . | trans | 100.1 | 18.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L51 K52 | L51-G56 PolarHBondContact O-N 3.27Å; K52-G56 WeakPolarHBondContact O-CA 3.43Å; K52-G56 PolarHBondContact O-N 2.91Å | ||
| 57 | R | 98.3 | Very high | 98.4 | Very high | 18 Ų | 18 | 61.3 Ų | 61.3 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 151.4 | 176.9 | -62.2 | -159.3 | 78.9 | 85.6 | 7.7 | 111.8 | L51 V55 N59 E81 N84 N92 E214 | L51-R57 HydrophobicContact CB-CG 4.39Å; L51-R57 VanDerWaalsContact O-CB 3.3Å; L51-R57 WeakPolarHBondContact O-CB 3.5Å; L51-R57 WeakPolarHBondContact O-CG 3.45Å; L51-R57 PolarHBondContact O-N 2.57Å; V55-R57 HydrophobicContact CB-CG 4.37Å; V55-R57 HydrophobicContact CG1-CG 4.09Å; R57-N59 PolarHBondContact NH1-ND2 3.4Å; R57-E81 IonicContact CZ-OE1 2.89Å; R57-E81 IonicContact CZ-OE2 3.82Å; R57-E81 IonicContact NH1-OE1 2.78Å; R57-E81 PolarHBondContact NH1-OE1 3.47Å; R57-E81 IonicContact NH1-OE2 2.89Å; R57-E81 PolarHBondContact NH1-OE2 3.35Å; R57-E81 IonicContact NH2-OE1 3.86Å; R57-E81 PolarHBondContact NH2-OE1 2.96Å; R57-E81 IonicContact NH2-OE2 3.93Å; R57-N84 PolarHBondContact NH1-OD1 3.26Å; R57-N92 PolarHBondContact NH1-ND2 3.32Å; R57-N92 PolarHBondContact NH1-OD1 3.42Å; R57-E214 IonicContact CZ-OE1 3.01Å; R57-E214 IonicContact CZ-OE2 3.04Å; R57-E214 IonicContact NE-OE1 3.72Å; R57-E214 PolarHBondContact NE-OE1 3.44Å; R57-E214 IonicContact NE-OE2 3.25Å; R57-E214 IonicContact NH2-OE1 3.39Å; R57-E214 PolarHBondContact NH2-OE1 2.87Å; R57-E214 IonicContact NH2-OE2 2.7Å; R57-E214 PolarHBondContact NH2-OE2 3.41Å |
| 58 | E | 97.5 | Very high | 98.4 | Very high | 96 Ų | 96 | 61.4 Ų | 61.4 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | S | Bend | cis | -79.8 | 148 | 0.9 | 61.2 | -178.1 | -137.8 | 0 | 0 | 114 | E214 R217 Q218 | E58-E214 HydrophobicContact CB-CG 3.99Å; E58-E214 WeakPolarHBondContact CB-OE1 3.14Å; E58-E214 WeakPolarHBondContact CB-OE2 3.39Å; E58-R217 IonicContact OE1-CZ 3.76Å; E58-R217 IonicContact OE1-NH2 3.64Å; E58-R217 PolarHBondContact OE1-NH2 2.84Å; E58-R217 IonicContact OE2-CZ 2.94Å; E58-R217 IonicContact OE2-NE 3.21Å; E58-R217 IonicContact OE2-NH2 3.65Å; E58-R217 PolarHBondContact OE2-NH2 3.02Å; E58-Q218 PolarHBondContact OE1-NE2 3.19Å; E58-Q218 VanDerWaalsContact OE1-NE2 3.12Å |
| 59 | N | 98.3 | Very high | 98.4 | Very high | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 146.6 | 174 | -68.4 | -37.9 | 0 | 0 | 0 | 111 | R57 K79 R80 E81 N84 E214 Q218 | R57-N59 PolarHBondContact NH1-ND2 3.4Å; N59-K79 PolarHBondContact O-NZ 3.11Å; N59-R80 WeakPolarHBondContact CB-O 3.27Å; N59-R80 VanDerWaalsContact CG-O 3.32Å; N59-E81 VanDerWaalsContact ND2-CD 3.29Å; N59-E81 PolarHBondContact ND2-OE1 2.8Å; N59-E81 PolarHBondContact ND2-OE2 3.36Å; N59-N84 PolarHBondContact ND2-ND2 3.29Å; N59-N84 PolarHBondContact ND2-OD1 2.87Å; N59-E214 PolarHBondContact N-OE2 2.79Å; N59-Q218 PolarHBondContact O-NE2 2.92Å; N59-Q218 PolarHBondContact O-OE1 2.76Å |
| 60 | P | 98.6 | Very high | 98.4 | Very high | 67 Ų | 67 | 61.9 Ų | 61.9 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 148.8 | 174.3 | -23.5 | 32.9 | 0 | 0 | 0 | 113.6 | R80 L83 | P60-R80 HydrophobicContact CB-CG 4.32Å; P60-R80 WeakPolarHBondContact O-CB 3.24Å; P60-R80 WeakPolarHBondContact O-CG 3.35Å; P60-R80 PolarHBondContact O-N 3.07Å; P60-L83 HydrophobicContact CG-CD1 4.15Å |
| 61 | L | 98.9 | Very high | 98.4 | Very high | 27 Ų | 27 | 61 Ų | 61 | 14% | 0.141 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 97.3 | 160.6 | -174.5 | 64.9 | 0 | 0 | 0 | 107.9 | Y77 K79 T215 Q218 I219 V375 | L61-Y77 HydrophobicContact CD2-CD1 4.19Å; L61-Y77 HydrophobicContact CG-CD1 3.84Å; L61-Y77 HydrophobicContact CG-CG 4.33Å; L61-K79 HydrophobicContact CD1-CB 4.08Å; L61-K79 HydrophobicContact CD1-CD 4.48Å; L61-T215 HydrophobicContact CD1-CG2 4.31Å; L61-Q218 HydrophobicContact CB-CB 3.82Å; L61-Q218 HydrophobicContact CB-CG 4.44Å; L61-Q218 HydrophobicContact CD2-CB 3.73Å; L61-Q218 HydrophobicContact CG-CB 4.43Å; L61-I219 HydrophobicContact CD2-CB 3.79Å; L61-I219 HydrophobicContact CD2-CD1 3.98Å; L61-I219 HydrophobicContact CD2-CG1 4.46Å; L61-V375 HydrophobicContact CD1-CG1 3.8Å |
| 62 | Y | 98.8 | Very high | 98.3 | Very high | 80 Ų | 80 | 62.2 Ų | 62.2 | 31% | 0.314 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 121.3 | -171.2 | 171.2 | -115.3 | 0 | 0 | 0 | 111 | A64 Y77 L78 E346 I348 | Y62-A64 HydrophobicContact CD1-CB 4.14Å; Y62-A64 HydrophobicContact CE1-CB 3.86Å; Y62-A64 PolarHBondContact O-N 2.78Å; Y62-Y77 CarbonylContact O-C 3.52Å; Y62-Y77 VanDerWaalsContact O-CA 3.27Å; Y62-Y77 WeakPolarHBondContact O-CA 3.45Å; Y62-L78 HydrophobicContact CD1-CD1 4.22Å; Y62-L78 PolarHBondContact N-O 3.26Å; Y62-L78 PolarHBondContact O-N 3.26Å; Y62-E346 PolarHBondContact OH-OE2 2.85Å; Y62-I348 HydrophobicContact CD1-CD1 4.14Å; Y62-I348 HydrophobicContact CE1-CD1 4.05Å |
| 63 | Y | 98.8 | Very high | 98.3 | Very high | 76 Ų | 76 | 56 Ų | 56 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 108.9 | 167.8 | 179.5 | -128.1 | 0 | 0 | 0 | 109.7 | E65 T68 R75 I76 Y77 | Y63-E65 VanDerWaalsContact C-N 3.26Å; Y63-E65 HydrophobicContact CD1-CB 4Å; Y63-E65 HydrophobicContact CE1-CB 3.82Å; Y63-E65 HydrophobicContact CE1-CG 3.9Å; Y63-E65 PolarHBondContact O-N 3.15Å; Y63-T68 HydrophobicContact CE2-CG2 4.37Å; Y63-T68 WeakPolarHBondContact OH-CG2 3.14Å; Y63-R75 HydrophobicContact CE2-CB 3.88Å; Y63-R75 HydrophobicContact CE2-CG 4.1Å; Y63-I76 WeakPolarHBondContact CD2-O 3.37Å; Y63-Y77 HydrophobicContact CD2-CD2 4.15Å; Y63-Y77 HydrophobicContact CD2-CE1 4.18Å; Y63-Y77 AromaticContact CD2-CE2 3.73Å; Y63-Y77 HydrophobicContact CD2-CE2 3.73Å; Y63-Y77 AromaticContact CD2-CZ 3.75Å; Y63-Y77 HydrophobicContact CE2-CE2 4.37Å; Y63-Y77 HydrophobicContact CG-CE1 4.2Å; Y63-Y77 HydrophobicContact CG-CE2 4.49Å |
| 64 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -80.6 | 74.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y62 R66 L67 T68 I76 L78 E346 | Y62-A64 HydrophobicContact CD1-CB 4.14Å; Y62-A64 HydrophobicContact CE1-CB 3.86Å; Y62-A64 PolarHBondContact O-N 2.78Å; A64-R66 VanDerWaalsContact C-N 3.29Å; A64-R66 PolarHBondContact O-N 2.9Å; A64-L67 HydrophobicContact CB-CB 3.77Å; A64-L67 HydrophobicContact CB-CD2 4.01Å; A64-L67 HydrophobicContact CB-CG 4.47Å; A64-L67 WeakPolarHBondContact O-CB 3.41Å; A64-L67 PolarHBondContact O-N 3.11Å; A64-T68 PolarHBondContact O-N 3.44Å; A64-T68 PolarHBondContact O-OG1 3.23Å; A64-I76 PolarHBondContact N-O 3.11Å; A64-L78 HydrophobicContact CB-CD1 4.16Å; A64-L78 HydrophobicContact CB-CG 4.14Å; A64-E346 HydrophobicContact CB-CG 4.45Å | ||
| 65 | E | 98 | Very high | 98.3 | Very high | 92 Ų | 92 | 49 Ų | 49 | 43% | 0.43 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.4 | -36.6 | -171 | -172.9 | -177.5 | -171.4 | 0 | 0 | 112.6 | Y63 K69 | Y63-E65 VanDerWaalsContact C-N 3.26Å; Y63-E65 HydrophobicContact CD1-CB 4Å; Y63-E65 HydrophobicContact CE1-CB 3.82Å; Y63-E65 HydrophobicContact CE1-CG 3.9Å; Y63-E65 PolarHBondContact O-N 3.15Å; E65-K69 HydrophobicContact CG-CD 4.15Å; E65-K69 WeakPolarHBondContact O-CB 2.99Å; E65-K69 VanDerWaalsContact O-CG 3.26Å; E65-K69 WeakPolarHBondContact O-CG 3.18Å; E65-K69 PolarHBondContact O-N 3.41Å; E65-K69 WeakPolarHBondContact OE1-CE 3.27Å; E65-K69 IonicContact OE1-NZ 2.86Å; E65-K69 PolarHBondContact OE1-NZ 3.47Å; E65-K69 IonicContact OE2-NZ 3.77Å |
| 66 | R | 98.4 | Very high | 98.3 | Very high | 138 Ų | 138 | 48.6 Ų | 48.6 | 52% | 0.521 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71 | -43.8 | 179.3 | -64.1 | 179.5 | 64.2 | -169 | -4.9 | 110.3 | A64 K69 D70 L345 E346 | A64-R66 VanDerWaalsContact C-N 3.29Å; A64-R66 PolarHBondContact O-N 2.9Å; R66-K69 PolarHBondContact O-N 2.84Å; R66-D70 WeakPolarHBondContact O-CB 3.01Å; R66-D70 PolarHBondContact O-N 2.72Å; R66-L345 HydrophobicContact CB-CD1 4.11Å; R66-L345 HydrophobicContact CB-CG 4.03Å; R66-L345 WeakPolarHBondContact CD-O 3.45Å; R66-L345 PolarHBondContact NE-O 3.46Å; R66-L345 VanDerWaalsContact NE-O 3.13Å; R66-L345 PolarHBondContact NH1-O 3.03Å; R66-L345 PolarHBondContact NH2-O 3.26Å; R66-E346 WeakPolarHBondContact CA-OE1 3.43Å; R66-E346 WeakPolarHBondContact CB-OE1 3.47Å; R66-E346 PolarHBondContact N-OE1 3.16Å; R66-E346 VanDerWaalsContact N-OE1 3.16Å |
| 67 | L | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.8 | -47.9 | 174.1 | -179 | 60.4 | 0 | 0 | 0 | 111.8 | A64 K69 D70 L71 I76 Y341 L342 L345 E346 L358 L362 | A64-L67 HydrophobicContact CB-CB 3.77Å; A64-L67 HydrophobicContact CB-CD2 4.01Å; A64-L67 HydrophobicContact CB-CG 4.47Å; A64-L67 WeakPolarHBondContact O-CB 3.41Å; A64-L67 PolarHBondContact O-N 3.11Å; L67-K69 PolarHBondContact O-N 3.24Å; L67-D70 PolarHBondContact O-N 2.91Å; L67-L71 HydrophobicContact CD1-CD1 3.72Å; L67-L71 HydrophobicContact CD1-CG 4.21Å; L67-L71 HydrophobicContact CG-CD1 4.22Å; L67-L71 WeakPolarHBondContact O-CB 3.34Å; L67-L71 WeakPolarHBondContact O-CG 3.43Å; L67-L71 PolarHBondContact O-N 3.28Å; L67-L71 VanDerWaalsContact O-N 3.08Å; L67-I76 HydrophobicContact CD2-CB 4.35Å; L67-I76 HydrophobicContact CD2-CD1 4.13Å; L67-I76 HydrophobicContact CD2-CG2 3.72Å; L67-I76 HydrophobicContact CG-CD1 3.74Å; L67-I76 HydrophobicContact CG-CG2 4.45Å; L67-Y341 HydrophobicContact CD1-CD1 4.13Å; L67-Y341 HydrophobicContact CD1-CE1 3.49Å; L67-Y341 VanDerWaalsContact CD1-CE1 3.49Å; L67-L342 HydrophobicContact CD2-CD1 4.33Å; L67-L345 HydrophobicContact CB-CD2 4.26Å; L67-L345 HydrophobicContact CD1-CD2 4.19Å; L67-E346 HydrophobicContact CB-CG 4.26Å; L67-E346 WeakPolarHBondContact CB-OE1 3.48Å; L67-E346 PolarHBondContact N-OE1 3.41Å; L67-L358 HydrophobicContact CD2-CD1 4.02Å; L67-L362 HydrophobicContact CD1-CD2 3.9Å |
| 68 | T | 98.6 | Very high | 98.4 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 175.8 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | Y63 A64 G72 R75 I76 | Y63-T68 HydrophobicContact CE2-CG2 4.37Å; Y63-T68 WeakPolarHBondContact OH-CG2 3.14Å; A64-T68 PolarHBondContact O-N 3.44Å; A64-T68 PolarHBondContact O-OG1 3.23Å; T68-G72 PolarHBondContact O-N 3.4Å; T68-R75 HydrophobicContact CG2-CG 4.28Å; T68-I76 PolarHBondContact OG1-N 3.46Å |
| 69 | K | 98.2 | Very high | 98.5 | Very high | 137 Ų | 137 | 41.8 Ų | 41.8 | 60% | 0.596 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -65.7 | -42.1 | 178.7 | -76.6 | 173.8 | -176.3 | 170.1 | 0 | 112.3 | E65 R66 L67 G72 | E65-K69 HydrophobicContact CG-CD 4.15Å; E65-K69 WeakPolarHBondContact O-CB 2.99Å; E65-K69 VanDerWaalsContact O-CG 3.26Å; E65-K69 WeakPolarHBondContact O-CG 3.18Å; E65-K69 PolarHBondContact O-N 3.41Å; E65-K69 WeakPolarHBondContact OE1-CE 3.27Å; E65-K69 IonicContact OE1-NZ 2.86Å; E65-K69 PolarHBondContact OE1-NZ 3.47Å; E65-K69 IonicContact OE2-NZ 3.77Å; R66-K69 PolarHBondContact O-N 2.84Å; L67-K69 PolarHBondContact O-N 3.24Å; K69-G72 PolarHBondContact O-N 3.46Å |
| 70 | D | 98.4 | Very high | 98.5 | Very high | 103 Ų | 103 | 43.3 Ų | 43.3 | 55% | 0.551 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -67.1 | -40.6 | -177.5 | -155.1 | 75.1 | 0 | 0 | 0 | 111.5 | R66 L67 Y341 L345 | R66-D70 WeakPolarHBondContact O-CB 3.01Å; R66-D70 PolarHBondContact O-N 2.72Å; L67-D70 PolarHBondContact O-N 2.91Å; D70-Y341 PolarHBondContact OD2-OH 3.48Å; D70-L345 HydrophobicContact CB-CD2 3.9Å |
| 71 | L | 98.2 | Very high | 98.5 | Very high | 27 Ų | 27 | 40.1 Ų | 40.1 | 14% | 0.141 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -79.9 | -19.3 | 178.5 | -63.5 | 179.3 | 0 | 0 | 0 | 113.9 | L67 G73 I76 L362 A365 P366 | L67-L71 HydrophobicContact CD1-CD1 3.72Å; L67-L71 HydrophobicContact CD1-CG 4.21Å; L67-L71 HydrophobicContact CG-CD1 4.22Å; L67-L71 WeakPolarHBondContact O-CB 3.34Å; L67-L71 WeakPolarHBondContact O-CG 3.43Å; L67-L71 PolarHBondContact O-N 3.28Å; L67-L71 VanDerWaalsContact O-N 3.08Å; L71-G73 PolarHBondContact O-N 2.98Å; L71-G73 VanDerWaalsContact O-N 3.07Å; L71-I76 HydrophobicContact CD1-CD1 3.69Å; L71-L362 HydrophobicContact CD1-CD2 3.85Å; L71-L362 HydrophobicContact CD2-CD2 4.2Å; L71-A365 HydrophobicContact CB-CB 4.34Å; L71-A365 HydrophobicContact CD1-CB 3.89Å; L71-P366 HydrophobicContact CB-CG 4.13Å; L71-P366 HydrophobicContact CD2-CG 4.14Å |
| 72 | G | 97 | Very high | 98.5 | Very high | 39 Ų | 39 | 39.2 Ų | 39.2 | 40% | 0.402 | 18% | 0.182 | S | C | . | . | trans | 71.2 | 1.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | T68 K69 K370 | T68-G72 PolarHBondContact O-N 3.4Å; K69-G72 PolarHBondContact O-N 3.46Å; G72-K370 WeakPolarHBondContact O-CE 3.11Å | ||
| 73 | G | 97.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -115.4 | -124 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L71 A365 M368 K370 | L71-G73 PolarHBondContact O-N 2.98Å; L71-G73 VanDerWaalsContact O-N 3.07Å; G73-A365 VanDerWaalsContact CA-O 3.28Å; G73-A365 WeakPolarHBondContact CA-O 3.16Å; G73-M368 WeakPolarHBondContact CA-O 3.24Å; G73-K370 WeakPolarHBondContact O-CA 3.32Å |
| 74 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -56.9 | 152.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A365 M368 S369 Q372 I374 | A74-A365 PolarHBondContact N-O 2.9Å; A74-M368 HydrophobicContact CB-CB 3.72Å; A74-M368 HydrophobicContact CB-CE 4.26Å; A74-M368 HydrophobicContact CB-SD 4.37Å; A74-S369 WeakPolarHBondContact CA-O 3.26Å; A74-Q372 WeakPolarHBondContact CA-O 3.35Å; A74-Q372 HydrophobicContact CB-CB 4.28Å; A74-Q372 WeakPolarHBondContact CB-O 3.46Å; A74-I374 HydrophobicContact CB-CD1 3.91Å; A74-I374 HydrophobicContact CB-CG1 3.92Å |
| 75 | R | 98.8 | Very high | 98.4 | Very high | 56 Ų | 56 | 39.8 Ų | 39.8 | 21% | 0.211 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 131.3 | 170.5 | -69.4 | -178.8 | -71.2 | 172.3 | 5.8 | 110.3 | Y63 T68 E223 D371 Q372 I373 I374 | Y63-R75 HydrophobicContact CE2-CB 3.88Å; Y63-R75 HydrophobicContact CE2-CG 4.1Å; T68-R75 HydrophobicContact CG2-CG 4.28Å; R75-E223 VanDerWaalsContact CZ-CD 3.44Å; R75-E223 IonicContact CZ-OE1 3.55Å; R75-E223 IonicContact CZ-OE2 3.97Å; R75-E223 IonicContact NE-OE1 3.82Å; R75-E223 IonicContact NH1-OE1 3.07Å; R75-E223 PolarHBondContact NH1-OE1 3.41Å; R75-E223 IonicContact NH1-OE2 2.62Å; R75-E223 PolarHBondContact NH1-OE2 2.92Å; R75-E223 IonicContact NH2-OE1 2.74Å; R75-E223 IonicContact NH2-OE2 3.64Å; R75-E223 PolarHBondContact NH2-OE2 2.66Å; R75-D371 PolarHBondContact NH2-O 2.75Å; R75-Q372 PolarHBondContact N-O 2.88Å; R75-I373 HydrophobicContact CB-CG1 4.46Å; R75-I373 CarbonylContact O-C 3.52Å; R75-I373 WeakPolarHBondContact O-CA 3.1Å; R75-I374 PolarHBondContact O-N 3.41Å |
| 76 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 123.7 | -170.4 | -60.7 | 157.7 | 0 | 0 | 0 | 109.5 | Y63 A64 L67 T68 L71 L78 V361 A365 I374 | Y63-I76 WeakPolarHBondContact CD2-O 3.37Å; A64-I76 PolarHBondContact N-O 3.11Å; L67-I76 HydrophobicContact CD2-CB 4.35Å; L67-I76 HydrophobicContact CD2-CD1 4.13Å; L67-I76 HydrophobicContact CD2-CG2 3.72Å; L67-I76 HydrophobicContact CG-CD1 3.74Å; L67-I76 HydrophobicContact CG-CG2 4.45Å; T68-I76 PolarHBondContact OG1-N 3.46Å; L71-I76 HydrophobicContact CD1-CD1 3.69Å; I76-L78 HydrophobicContact CG2-CD2 4.12Å; I76-V361 HydrophobicContact CD1-CG1 3.74Å; I76-V361 HydrophobicContact CG1-CG1 3.97Å; I76-V361 HydrophobicContact CG2-CG1 4.07Å; I76-A365 HydrophobicContact CD1-CB 3.75Å; I76-A365 HydrophobicContact CG1-CB 4.27Å; I76-I374 HydrophobicContact CG1-CB 4.45Å |
| 77 | Y | 98.9 | Very high | 98.3 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 6% | 0.063 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136.7 | 174.4 | -74.7 | -96 | 0 | 0 | 0 | 110.5 | L61 Y62 Y63 I219 A222 E223 I373 I374 V375 M376 | L61-Y77 HydrophobicContact CD2-CD1 4.19Å; L61-Y77 HydrophobicContact CG-CD1 3.84Å; L61-Y77 HydrophobicContact CG-CG 4.33Å; Y62-Y77 CarbonylContact O-C 3.52Å; Y62-Y77 VanDerWaalsContact O-CA 3.27Å; Y62-Y77 WeakPolarHBondContact O-CA 3.45Å; Y63-Y77 HydrophobicContact CD2-CD2 4.15Å; Y63-Y77 HydrophobicContact CD2-CE1 4.18Å; Y63-Y77 AromaticContact CD2-CE2 3.73Å; Y63-Y77 HydrophobicContact CD2-CE2 3.73Å; Y63-Y77 AromaticContact CD2-CZ 3.75Å; Y63-Y77 HydrophobicContact CE2-CE2 4.37Å; Y63-Y77 HydrophobicContact CG-CE1 4.2Å; Y63-Y77 HydrophobicContact CG-CE2 4.49Å; Y77-I219 HydrophobicContact CD1-CD1 4.29Å; Y77-I219 HydrophobicContact CD2-CD1 3.8Å; Y77-I219 HydrophobicContact CE1-CD1 4.3Å; Y77-I219 HydrophobicContact CE2-CD1 3.87Å; Y77-I219 HydrophobicContact CG-CD1 4.01Å; Y77-A222 HydrophobicContact CE1-CB 4.27Å; Y77-E223 HydrophobicContact CE2-CG 4.03Å; Y77-E223 PolarHBondContact OH-OE1 3.03Å; Y77-I373 HydrophobicContact CD2-CG2 3.96Å; Y77-I373 HydrophobicContact CE2-CG2 4.25Å; Y77-I374 PolarHBondContact N-O 3.4Å; Y77-V375 WeakPolarHBondContact O-CA 3.23Å; Y77-M376 PolarHBondContact O-N 3.5Å |
| 78 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117.8 | 176.2 | -52.6 | -178 | 0 | 0 | 0 | 109 | Y62 A64 I76 R80 L342 I348 M376 | Y62-L78 HydrophobicContact CD1-CD1 4.22Å; Y62-L78 PolarHBondContact N-O 3.26Å; Y62-L78 PolarHBondContact O-N 3.26Å; A64-L78 HydrophobicContact CB-CD1 4.16Å; A64-L78 HydrophobicContact CB-CG 4.14Å; I76-L78 HydrophobicContact CG2-CD2 4.12Å; L78-R80 PolarHBondContact O-N 3.24Å; L78-L342 HydrophobicContact CD1-CD1 4.01Å; L78-L342 HydrophobicContact CD1-CD2 4.46Å; L78-I348 HydrophobicContact CD1-CD1 4.2Å; L78-M376 HydrophobicContact CD2-CB 4.08Å; L78-M376 HydrophobicContact CD2-CE 3.89Å; L78-M376 HydrophobicContact CD2-SD 4.19Å |
| 79 | K | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 112.4 | 169.6 | 179.6 | 59 | 174.4 | 177.8 | 0 | 108.8 | N59 L61 E81 I211 E214 T215 M243 M376 L378 | N59-K79 PolarHBondContact O-NZ 3.11Å; L61-K79 HydrophobicContact CD1-CB 4.08Å; L61-K79 HydrophobicContact CD1-CD 4.48Å; K79-E81 VanDerWaalsContact C-N 3.32Å; K79-E81 WeakPolarHBondContact CE-OE1 3.43Å; K79-E81 HydrophobicContact CG-CG 4.31Å; K79-E81 PolarHBondContact O-N 2.75Å; K79-I211 HydrophobicContact CG-CG2 3.9Å; K79-E214 IonicContact NZ-OE2 2.76Å; K79-E214 PolarHBondContact NZ-OE2 2.92Å; K79-T215 WeakPolarHBondContact CD-OG1 3.35Å; K79-T215 WeakPolarHBondContact CG-OG1 3.4Å; K79-M243 HydrophobicContact CB-CE 3.46Å; K79-M243 VanDerWaalsContact CB-CE 3.46Å; K79-M243 HydrophobicContact CG-CE 3.72Å; K79-M376 PolarHBondContact N-O 2.94Å; K79-L378 WeakPolarHBondContact O-CB 3.22Å; K79-L378 PolarHBondContact O-N 2.96Å |
| 80 | R | 98.8 | Very high | 98.2 | Very high | 36 Ų | 36 | 24.5 Ų | 24.5 | 14% | 0.136 | 13% | 0.129 | C | C | . | . | trans | -83.2 | 58.9 | -163.6 | -62.8 | -61.3 | -58.7 | -86.5 | -1.1 | 114.4 | N59 P60 L78 D82 L83 | N59-R80 WeakPolarHBondContact CB-O 3.27Å; N59-R80 VanDerWaalsContact CG-O 3.32Å; P60-R80 HydrophobicContact CB-CG 4.32Å; P60-R80 WeakPolarHBondContact O-CB 3.24Å; P60-R80 WeakPolarHBondContact O-CG 3.35Å; P60-R80 PolarHBondContact O-N 3.07Å; L78-R80 PolarHBondContact O-N 3.24Å; R80-D82 WeakPolarHBondContact CA-OD1 3.37Å; R80-D82 WeakPolarHBondContact CB-OD1 3.37Å; R80-D82 WeakPolarHBondContact CD-OD1 3.42Å; R80-D82 IonicContact CZ-OD1 3.81Å; R80-D82 IonicContact CZ-OD2 2.62Å; R80-D82 IonicContact NE-OD1 3.19Å; R80-D82 PolarHBondContact NE-OD1 3.39Å; R80-D82 IonicContact NE-OD2 2.74Å; R80-D82 PolarHBondContact NE-OD2 3.12Å; R80-D82 IonicContact NH2-OD1 3.77Å; R80-D82 IonicContact NH2-OD2 3.36Å; R80-D82 PolarHBondContact NH2-OD2 3.24Å; R80-D82 PolarHBondContact O-N 3.16Å; R80-L83 HydrophobicContact CB-CD1 3.79Å; R80-L83 HydrophobicContact CB-CG 4.02Å; R80-L83 HydrophobicContact CG-CD1 4.34Å; R80-L83 WeakPolarHBondContact O-CB 3.36Å; R80-L83 PolarHBondContact O-N 3.13Å; R80-L83 VanDerWaalsContact O-N 3.16Å | ||
| 81 | E | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -69.6 | -11.9 | 175.6 | -62.8 | -62.3 | 117.3 | 0 | 0 | 113.3 | R57 N59 K79 L83 N84 A88 H89 N92 I211 N377 L378 | R57-E81 IonicContact CZ-OE1 2.89Å; R57-E81 IonicContact CZ-OE2 3.82Å; R57-E81 IonicContact NH1-OE1 2.78Å; R57-E81 PolarHBondContact NH1-OE1 3.47Å; R57-E81 IonicContact NH1-OE2 2.89Å; R57-E81 PolarHBondContact NH1-OE2 3.35Å; R57-E81 IonicContact NH2-OE1 3.86Å; R57-E81 PolarHBondContact NH2-OE1 2.96Å; R57-E81 IonicContact NH2-OE2 3.93Å; N59-E81 VanDerWaalsContact ND2-CD 3.29Å; N59-E81 PolarHBondContact ND2-OE1 2.8Å; N59-E81 PolarHBondContact ND2-OE2 3.36Å; K79-E81 VanDerWaalsContact C-N 3.32Å; K79-E81 WeakPolarHBondContact CE-OE1 3.43Å; K79-E81 HydrophobicContact CG-CG 4.31Å; K79-E81 PolarHBondContact O-N 2.75Å; E81-L83 PolarHBondContact O-N 3.27Å; E81-N84 WeakPolarHBondContact O-CB 3.46Å; E81-N84 PolarHBondContact O-N 2.99Å; E81-N84 PolarHBondContact O-ND2 3.44Å; E81-N84 PolarHBondContact OE2-ND2 2.9Å; E81-A88 CarbonylContact O-C 3.58Å; E81-H89 HydrophobicContact CB-CB 4.14Å; E81-H89 HydrophobicContact CG-CB 4.35Å; E81-N92 PolarHBondContact OE2-ND2 3.36Å; E81-I211 HydrophobicContact CG-CD1 4.15Å; E81-I211 HydrophobicContact CG-CG1 4.18Å; E81-I211 HydrophobicContact CG-CG2 4.11Å; E81-N377 WeakPolarHBondContact CG-OD1 3.47Å; E81-L378 CarbonylContact C-O 3.59Å; E81-L378 WeakPolarHBondContact CB-O 3.41Å; E81-L378 PolarHBondContact N-O 2.78Å |
| 82 | D | 98.5 | Very high | 98.2 | Very high | 8 Ų | 8 | 18.4 Ų | 18.4 | 4% | 0.043 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -62.2 | -22.1 | 167.9 | 69.8 | -61.3 | 0 | 0 | 0 | 113.6 | R80 L378 G380 R381 | R80-D82 WeakPolarHBondContact CA-OD1 3.37Å; R80-D82 WeakPolarHBondContact CB-OD1 3.37Å; R80-D82 WeakPolarHBondContact CD-OD1 3.42Å; R80-D82 IonicContact CZ-OD1 3.81Å; R80-D82 IonicContact CZ-OD2 2.62Å; R80-D82 IonicContact NE-OD1 3.19Å; R80-D82 PolarHBondContact NE-OD1 3.39Å; R80-D82 IonicContact NE-OD2 2.74Å; R80-D82 PolarHBondContact NE-OD2 3.12Å; R80-D82 IonicContact NH2-OD1 3.77Å; R80-D82 IonicContact NH2-OD2 3.36Å; R80-D82 PolarHBondContact NH2-OD2 3.24Å; R80-D82 PolarHBondContact O-N 3.16Å; D82-L378 HydrophobicContact CB-CD2 4.14Å; D82-L378 HydrophobicContact CB-CG 4.34Å; D82-L378 PolarHBondContact N-O 2.9Å; D82-L378 VanDerWaalsContact N-O 3.12Å; D82-L378 WeakPolarHBondContact OD1-CD2 3.38Å; D82-G380 VanDerWaalsContact CB-C 3.45Å; D82-R381 HydrophobicContact CB-CB 3.99Å |
| 83 | L | 98.6 | Very high | 98.3 | Very high | 88 Ų | 88 | 16.6 Ų | 16.6 | 46% | 0.461 | 8% | 0.077 | S | C | . | . | G | 310 helix | trans | -88.7 | -7.1 | 179.6 | -61.9 | -178.3 | 0 | 0 | 0 | 114.2 | P60 R80 E81 | P60-L83 HydrophobicContact CG-CD1 4.15Å; R80-L83 HydrophobicContact CB-CD1 3.79Å; R80-L83 HydrophobicContact CB-CG 4.02Å; R80-L83 HydrophobicContact CG-CD1 4.34Å; R80-L83 WeakPolarHBondContact O-CB 3.36Å; R80-L83 PolarHBondContact O-N 3.13Å; R80-L83 VanDerWaalsContact O-N 3.16Å; E81-L83 PolarHBondContact O-N 3.27Å |
| 84 | N | 98.5 | Very high | 98.4 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.011 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -55.3 | 149.4 | 173.8 | -77.8 | -44.8 | 0 | 0 | 0 | 110.9 | V55 R57 N59 E81 T86 G87 I91 | V55-N84 HydrophobicContact CG1-CB 3.94Å; V55-N84 VanDerWaalsContact CG1-OD1 3.27Å; V55-N84 WeakPolarHBondContact CG1-OD1 3.4Å; R57-N84 PolarHBondContact NH1-OD1 3.26Å; N59-N84 PolarHBondContact ND2-ND2 3.29Å; N59-N84 PolarHBondContact ND2-OD1 2.87Å; E81-N84 WeakPolarHBondContact O-CB 3.46Å; E81-N84 PolarHBondContact O-N 2.99Å; E81-N84 PolarHBondContact O-ND2 3.44Å; E81-N84 PolarHBondContact OE2-ND2 2.9Å; N84-T86 PolarHBondContact O-N 2.9Å; N84-G87 VanDerWaalsContact O-CA 3.32Å; N84-G87 WeakPolarHBondContact O-CA 3.27Å; N84-G87 PolarHBondContact O-N 2.97Å; N84-I91 HydrophobicContact CB-CG2 3.91Å |
| 85 | H | 98 | Very high | 98.4 | Very high | 78 Ų | 78 | 16.4 Ų | 16.4 | 36% | 0.361 | 8% | 0.075 | S | C | . | . | G | 310 helix | trans | -49.1 | 144.4 | 159.4 | -171.8 | 53.4 | 0 | 0 | 0 | 110.2 | Y54 V55 G87 I91 | Y54-H85 AromaticContact CE1-CD2 3.53Å; Y54-H85 AromaticContact CE1-NE2 3.89Å; Y54-H85 AromaticContact CZ-CD2 3.99Å; Y54-H85 AromaticContact CZ-NE2 3.88Å; V55-H85 HydrophobicContact CG1-CB 4.45Å; V55-H85 PolarHBondContact O-N 3.24Å; V55-H85 VanDerWaalsContact O-N 3.07Å; H85-G87 PolarHBondContact O-N 3.29Å; H85-G87 VanDerWaalsContact O-N 3.16Å; H85-I91 WeakPolarHBondContact O-CG2 3.28Å |
| 86 | T | 96.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 13.7 Ų | 13.7 | 3% | 0.031 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | 70.5 | -26.7 | -165.7 | 87.1 | 0 | 0 | 0 | 0 | 116.6 | N84 I91 T124 R151 | N84-T86 PolarHBondContact O-N 2.9Å; T86-I91 HydrophobicContact CG2-CB 4.39Å; T86-I91 HydrophobicContact CG2-CD1 3.85Å; T86-I91 HydrophobicContact CG2-CG1 4.16Å; T86-T124 HydrophobicContact CG2-CG2 3.99Å; T86-R151 PolarHBondContact O-NH2 2.99Å |
| 87 | G | 96.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | 103.9 | 13.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116 | N84 H85 G380 R381 | N84-G87 VanDerWaalsContact O-CA 3.32Å; N84-G87 WeakPolarHBondContact O-CA 3.27Å; N84-G87 PolarHBondContact O-N 2.97Å; H85-G87 PolarHBondContact O-N 3.29Å; H85-G87 VanDerWaalsContact O-N 3.16Å; G87-G380 CarbonylContact O-C 3.35Å; G87-G380 VanDerWaalsContact O-CA 3.24Å; G87-G380 WeakPolarHBondContact O-CA 3.35Å; G87-R381 PolarHBondContact O-N 3.13Å |
| 88 | A | 97.3 | Very high | 98.3 | Very high | 5 Ų | 5 | 13 Ų | 13 | 4% | 0.041 | 6% | 0.062 | C | C | . | . | B | Isolated β-bridge | trans | -156.5 | 164.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E81 K90 S379 | E81-A88 CarbonylContact O-C 3.58Å; A88-K90 PolarHBondContact O-N 3.04Å; A88-S379 WeakPolarHBondContact CA-O 3.47Å |
| 89 | H | 98.5 | Very high | 98.3 | Very high | 12 Ų | 12 | 13.1 Ų | 13.1 | 6% | 0.056 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -19.4 | 173.9 | 69.5 | -74.1 | 0 | 0 | 0 | 114.7 | E81 I91 N92 Q208 I211 N239 S379 | E81-H89 HydrophobicContact CB-CB 4.14Å; E81-H89 HydrophobicContact CG-CB 4.35Å; H89-I91 PolarHBondContact O-N 3.22Å; H89-I91 VanDerWaalsContact O-N 3.14Å; H89-N92 WeakPolarHBondContact O-CB 3.45Å; H89-N92 PolarHBondContact O-N 3.22Å; H89-N92 PolarHBondContact O-ND2 3.32Å; H89-N92 VanDerWaalsContact O-ND2 3.16Å; H89-Q208 PolarHBondContact CD2-NE2 3.38Å; H89-Q208 PolarHBondContact O-NE2 3.23Å; H89-Q208 PolarHBondContact O-OE1 3.31Å; H89-I211 HydrophobicContact CB-CD1 3.91Å; H89-N239 HydrophobicContact CB-CB 4.43Å; H89-N239 VanDerWaalsContact CD2-CB 3.42Å; H89-N239 WeakPolarHBondContact CD2-CB 3.3Å; H89-N239 WeakPolarHBondContact NE2-CB 3.41Å; H89-S379 PolarHBondContact N-O 3.15Å; H89-S379 PolarHBondContact ND1-O 2.86Å |
| 90 | K | 98.1 | Very high | 98.3 | Very high | 35 Ų | 35 | 13.1 Ų | 13.1 | 15% | 0.152 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58 | -29.9 | -175.2 | -64.7 | -62.6 | -174.4 | -175.6 | 0 | 113.5 | A88 N92 N93 A94 Q117 H118 A121 G192 S238 | A88-K90 PolarHBondContact O-N 3.04Å; K90-N92 VanDerWaalsContact C-N 3.28Å; K90-N92 PolarHBondContact O-N 2.91Å; K90-N93 PolarHBondContact O-N 3.18Å; K90-A94 PolarHBondContact O-N 3.17Å; K90-A94 VanDerWaalsContact O-N 3.07Å; K90-Q117 HydrophobicContact CG-CB 4.37Å; K90-H118 HydrophobicContact CD-CB 4.36Å; K90-H118 HydrophobicContact CG-CB 4.47Å; K90-A121 HydrophobicContact CB-CB 3.93Å; K90-G192 PolarHBondContact NZ-O 3.46Å; K90-S238 PolarHBondContact NZ-OG 2.74Å |
| 91 | I | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.2 | -29.8 | -179.5 | -166.2 | 58 | 0 | 0 | 0 | 113.4 | V55 N84 H85 T86 H89 N93 A94 L95 A121 T124 | V55-I91 HydrophobicContact CG1-CG2 3.62Å; V55-I91 HydrophobicContact CG2-CG1 3.86Å; V55-I91 HydrophobicContact CG2-CG2 4.08Å; N84-I91 HydrophobicContact CB-CG2 3.91Å; H85-I91 WeakPolarHBondContact O-CG2 3.28Å; T86-I91 HydrophobicContact CG2-CB 4.39Å; T86-I91 HydrophobicContact CG2-CD1 3.85Å; T86-I91 HydrophobicContact CG2-CG1 4.16Å; H89-I91 PolarHBondContact O-N 3.22Å; H89-I91 VanDerWaalsContact O-N 3.14Å; I91-N93 VanDerWaalsContact C-N 3.35Å; I91-N93 PolarHBondContact O-N 2.85Å; I91-A94 PolarHBondContact O-N 2.86Å; I91-L95 HydrophobicContact CD1-CD1 4.42Å; I91-L95 HydrophobicContact CD1-CG 4.1Å; I91-L95 HydrophobicContact CG1-CD1 4.06Å; I91-L95 HydrophobicContact CG1-CG 4.24Å; I91-L95 WeakPolarHBondContact O-CB 3.37Å; I91-L95 PolarHBondContact O-N 3.33Å; I91-A121 HydrophobicContact CB-CB 4.47Å; I91-A121 HydrophobicContact CD1-CB 4.23Å; I91-T124 HydrophobicContact CD1-CG2 4.35Å |
| 92 | N | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.011 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.8 | -50.1 | 178.4 | -56.5 | -36.8 | 0 | 0 | 0 | 110.3 | R57 E81 H89 K90 G96 Q208 V210 | R57-N92 PolarHBondContact NH1-ND2 3.32Å; R57-N92 PolarHBondContact NH1-OD1 3.42Å; E81-N92 PolarHBondContact OE2-ND2 3.36Å; H89-N92 WeakPolarHBondContact O-CB 3.45Å; H89-N92 PolarHBondContact O-N 3.22Å; H89-N92 PolarHBondContact O-ND2 3.32Å; H89-N92 VanDerWaalsContact O-ND2 3.16Å; K90-N92 VanDerWaalsContact C-N 3.28Å; K90-N92 PolarHBondContact O-N 2.91Å; N92-G96 PolarHBondContact O-N 3.29Å; N92-Q208 PolarHBondContact ND2-OE1 2.63Å; N92-V210 HydrophobicContact CB-CG1 4.43Å |
| 93 | N | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -69.1 | -46.8 | 178.6 | 172.8 | 55.6 | 0 | 0 | 0 | 112.5 | K90 I91 L95 G96 Q97 M191 V204 Q208 | K90-N93 PolarHBondContact O-N 3.18Å; I91-N93 VanDerWaalsContact C-N 3.35Å; I91-N93 PolarHBondContact O-N 2.85Å; N93-L95 VanDerWaalsContact C-N 3.32Å; N93-L95 PolarHBondContact O-N 2.69Å; N93-G96 PolarHBondContact O-N 2.92Å; N93-Q97 VanDerWaalsContact CG-NE2 3.28Å; N93-Q97 PolarHBondContact ND2-NE2 2.94Å; N93-Q97 PolarHBondContact O-N 2.75Å; N93-Q97 PolarHBondContact OD1-NE2 2.95Å; N93-M191 PolarHBondContact ND2-O 3.28Å; N93-V204 HydrophobicContact CB-CG1 4.3Å; N93-V204 WeakPolarHBondContact OD1-CG2 3.36Å; N93-Q208 HydrophobicContact CB-CG 4.32Å |
| 94 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K90 I91 V98 A121 A125 | K90-A94 PolarHBondContact O-N 3.17Å; K90-A94 VanDerWaalsContact O-N 3.07Å; I91-A94 PolarHBondContact O-N 2.86Å; A94-V98 WeakPolarHBondContact O-CB 3.31Å; A94-V98 WeakPolarHBondContact O-CG2 3.43Å; A94-V98 PolarHBondContact O-N 3.5Å; A94-A121 HydrophobicContact CB-CB 3.87Å; A94-A125 HydrophobicContact CB-CB 4.34Å |
| 95 | L | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 175.6 | -79.3 | 172.5 | 0 | 0 | 0 | 112.5 | L47 L51 V55 I91 N93 L99 A125 L128 F129 | L47-L95 HydrophobicContact CD1-CB 4.41Å; L51-L95 HydrophobicContact CD2-CD1 4.43Å; V55-L95 HydrophobicContact CG2-CD1 3.21Å; I91-L95 HydrophobicContact CD1-CD1 4.42Å; I91-L95 HydrophobicContact CD1-CG 4.1Å; I91-L95 HydrophobicContact CG1-CD1 4.06Å; I91-L95 HydrophobicContact CG1-CG 4.24Å; I91-L95 WeakPolarHBondContact O-CB 3.37Å; I91-L95 PolarHBondContact O-N 3.33Å; N93-L95 VanDerWaalsContact C-N 3.32Å; N93-L95 PolarHBondContact O-N 2.69Å; L95-L99 WeakPolarHBondContact O-CB 3.35Å; L95-L99 PolarHBondContact O-N 2.72Å; L95-A125 HydrophobicContact CD2-CB 4.03Å; L95-A125 HydrophobicContact CG-CB 4.48Å; L95-L128 HydrophobicContact CD2-CD2 3.79Å; L95-F129 HydrophobicContact CD2-CE2 3.98Å |
| 96 | G | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.9 | -49.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N92 N93 L99 L100 | N92-G96 PolarHBondContact O-N 3.29Å; N93-G96 PolarHBondContact O-N 2.92Å; G96-L99 PolarHBondContact O-N 2.96Å; G96-L100 PolarHBondContact O-N 3.22Å |
| 97 | Q | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -70 | -39.5 | -178.9 | -76.9 | -169.2 | 68.9 | 0 | 0 | 113.4 | N93 L99 L100 A101 V190 M191 I203 Y207 | N93-Q97 VanDerWaalsContact CG-NE2 3.28Å; N93-Q97 PolarHBondContact ND2-NE2 2.94Å; N93-Q97 PolarHBondContact O-N 2.75Å; N93-Q97 PolarHBondContact OD1-NE2 2.95Å; Q97-L99 VanDerWaalsContact C-N 3.3Å; Q97-L99 PolarHBondContact O-N 3.34Å; Q97-L100 WeakPolarHBondContact O-CB 3.48Å; Q97-L100 PolarHBondContact O-N 2.97Å; Q97-A101 PolarHBondContact O-N 3.48Å; Q97-V190 HydrophobicContact CB-CG1 3.92Å; Q97-V190 HydrophobicContact CB-CG2 4.49Å; Q97-M191 PolarHBondContact NE2-O 3.34Å; Q97-I203 HydrophobicContact CG-CG2 3.8Å; Q97-Y207 HydrophobicContact CG-CD2 4.31Å; Q97-Y207 HydrophobicContact CG-CE2 4.24Å |
| 98 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.7 | -34.6 | 175.6 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | A94 A101 K102 V109 A125 F129 M131 V190 | A94-V98 WeakPolarHBondContact O-CB 3.31Å; A94-V98 WeakPolarHBondContact O-CG2 3.43Å; A94-V98 PolarHBondContact O-N 3.5Å; V98-A101 WeakPolarHBondContact O-CB 3.22Å; V98-A101 PolarHBondContact O-N 3.02Å; V98-K102 PolarHBondContact O-N 2.88Å; V98-V109 HydrophobicContact CG2-CG1 4.3Å; V98-A125 HydrophobicContact CB-CB 3.96Å; V98-A125 HydrophobicContact CG1-CB 4.35Å; V98-A125 HydrophobicContact CG2-CB 3.71Å; V98-F129 HydrophobicContact CB-CD2 4.25Å; V98-F129 HydrophobicContact CG1-CB 4.19Å; V98-F129 HydrophobicContact CG1-CD2 3.61Å; V98-F129 HydrophobicContact CG1-CE2 4.47Å; V98-F129 HydrophobicContact CG1-CG 4.3Å; V98-M131 HydrophobicContact CG1-SD 3.56Å; V98-M131 VanDerWaalsContact CG1-SD 3.56Å; V98-V190 HydrophobicContact CG2-CG2 4.05Å |
| 99 | L | 98.3 | Very high | 98.2 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 172.2 | -173.2 | 62.2 | 0 | 0 | 0 | 112.1 | F43 E46 L47 L95 G96 Q97 K102 K103 F129 | F43-L99 HydrophobicContact CD2-CD2 4.15Å; F43-L99 HydrophobicContact CD2-CG 4.16Å; F43-L99 HydrophobicContact CE1-CD2 4.34Å; F43-L99 HydrophobicContact CE2-CB 4.2Å; F43-L99 HydrophobicContact CE2-CD2 3.8Å; F43-L99 HydrophobicContact CE2-CG 3.58Å; F43-L99 HydrophobicContact CZ-CB 4.27Å; F43-L99 HydrophobicContact CZ-CD2 3.89Å; F43-L99 HydrophobicContact CZ-CG 3.98Å; E46-L99 HydrophobicContact CB-CD2 4.35Å; E46-L99 HydrophobicContact CG-CD1 4.15Å; E46-L99 HydrophobicContact CG-CD2 4.23Å; L47-L99 HydrophobicContact CB-CD2 3.96Å; L95-L99 WeakPolarHBondContact O-CB 3.35Å; L95-L99 PolarHBondContact O-N 2.72Å; G96-L99 PolarHBondContact O-N 2.96Å; Q97-L99 VanDerWaalsContact C-N 3.3Å; Q97-L99 PolarHBondContact O-N 3.34Å; L99-K102 HydrophobicContact CD1-CD 4.21Å; L99-K102 PolarHBondContact O-N 2.91Å; L99-K103 PolarHBondContact O-N 3.23Å; L99-F129 HydrophobicContact CB-CE2 4.45Å; L99-F129 HydrophobicContact CB-CZ 4.38Å; L99-F129 HydrophobicContact CD1-CE1 3.97Å; L99-F129 HydrophobicContact CD1-CZ 3.96Å |
| 100 | L | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 169 | -75 | 176.8 | 0 | 0 | 0 | 111.7 | L30 T33 Y34 F43 G96 Q97 K102 K103 M104 I203 Y207 | L30-L100 HydrophobicContact CD1-CD1 4.22Å; T33-L100 HydrophobicContact CG2-CD2 4.31Å; Y34-L100 HydrophobicContact CD2-CD1 3.99Å; F43-L100 HydrophobicContact CE2-CD2 3.87Å; F43-L100 HydrophobicContact CE2-CG 4.35Å; F43-L100 HydrophobicContact CZ-CD2 3.72Å; F43-L100 HydrophobicContact CZ-CG 3.97Å; G96-L100 PolarHBondContact O-N 3.22Å; Q97-L100 WeakPolarHBondContact O-CB 3.48Å; Q97-L100 PolarHBondContact O-N 2.97Å; L100-K102 VanDerWaalsContact C-N 3.31Å; L100-K102 PolarHBondContact O-N 2.83Å; L100-K103 CarbonylContact O-C 3.57Å; L100-K103 WeakPolarHBondContact O-CA 3.27Å; L100-K103 WeakPolarHBondContact O-CB 3.39Å; L100-K103 PolarHBondContact O-N 2.63Å; L100-M104 WeakPolarHBondContact O-CG 3.41Å; L100-M104 PolarHBondContact O-N 2.65Å; L100-I203 HydrophobicContact CD1-CD1 4.33Å; L100-I203 HydrophobicContact CD1-CG2 4.25Å; L100-Y207 HydrophobicContact CD1-CE2 3.86Å; L100-Y207 WeakPolarHBondContact CD1-OH 3.49Å; L100-Y207 HydrophobicContact CG-CE2 4.41Å; L100-Y207 WeakPolarHBondContact CG-OH 3.34Å |
| 101 | A | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.3 | -45.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q97 V98 K103 M104 G105 K106 V109 M131 H188 | Q97-A101 PolarHBondContact O-N 3.48Å; V98-A101 WeakPolarHBondContact O-CB 3.22Å; V98-A101 PolarHBondContact O-N 3.02Å; A101-K103 VanDerWaalsContact C-N 3.33Å; A101-K103 PolarHBondContact O-N 2.68Å; A101-M104 PolarHBondContact O-N 3Å; A101-G105 PolarHBondContact O-N 3.32Å; A101-K106 HydrophobicContact CB-CB 4.29Å; A101-K106 WeakPolarHBondContact O-CB 3.37Å; A101-K106 PolarHBondContact O-N 2.85Å; A101-V109 HydrophobicContact CB-CG1 4.08Å; A101-M131 HydrophobicContact CB-CE 3.6Å; A101-M131 HydrophobicContact CB-SD 4.21Å; A101-H188 HydrophobicContact CB-CB 3.6Å |
| 102 | K | 97.8 | Very high | 98.1 | Very high | 94 Ų | 94 | 23.7 Ų | 23.7 | 41% | 0.409 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -58 | -43.1 | 172.3 | 177.6 | -174.9 | 168.1 | -164.7 | 0 | 111.7 | E46 V98 L99 L100 M104 G105 F129 | E46-K102 IonicContact OE1-NZ 2.82Å; E46-K102 PolarHBondContact OE1-NZ 2.77Å; V98-K102 PolarHBondContact O-N 2.88Å; L99-K102 HydrophobicContact CD1-CD 4.21Å; L99-K102 PolarHBondContact O-N 2.91Å; L100-K102 VanDerWaalsContact C-N 3.31Å; L100-K102 PolarHBondContact O-N 2.83Å; K102-M104 VanDerWaalsContact C-N 3.35Å; K102-M104 PolarHBondContact O-N 3Å; K102-G105 PolarHBondContact O-N 3.31Å; K102-G105 VanDerWaalsContact O-N 3.07Å; K102-F129 HydrophobicContact CD-CD1 3.97Å; K102-F129 HydrophobicContact CD-CE1 4.49Å |
| 103 | K | 97.1 | Very high | 97.9 | Very high | 92 Ų | 92 | 23.9 Ų | 23.9 | 40% | 0.4 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -65.2 | -36.1 | 178.5 | -166.3 | -176.7 | -178 | 81.8 | 0 | 112.6 | T33 D40 F43 L99 L100 A101 G105 | T33-K103 HydrophobicContact CG2-CB 4.3Å; T33-K103 HydrophobicContact CG2-CD 3.85Å; T33-K103 HydrophobicContact CG2-CG 4.14Å; D40-K103 IonicContact OD2-NZ 3.15Å; D40-K103 PolarHBondContact OD2-NZ 2.8Å; F43-K103 HydrophobicContact CD2-CD 3.95Å; F43-K103 HydrophobicContact CE2-CD 4.29Å; L99-K103 PolarHBondContact O-N 3.23Å; L100-K103 CarbonylContact O-C 3.57Å; L100-K103 WeakPolarHBondContact O-CA 3.27Å; L100-K103 WeakPolarHBondContact O-CB 3.39Å; L100-K103 PolarHBondContact O-N 2.63Å; A101-K103 VanDerWaalsContact C-N 3.33Å; A101-K103 PolarHBondContact O-N 2.68Å; K103-G105 PolarHBondContact O-N 2.89Å |
| 104 | M | 97.4 | Very high | 97.2 | Very high | 24 Ų | 24 | 24 Ų | 24 | 12% | 0.118 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -2.8 | 173.2 | -67 | -175.4 | -68.5 | 0 | 0 | 113.2 | E29 L30 T33 L100 A101 K102 K106 H188 | E29-M104 HydrophobicContact CG-SD 4.11Å; L30-M104 HydrophobicContact CB-SD 4.39Å; L30-M104 HydrophobicContact CD1-CE 3.92Å; L30-M104 HydrophobicContact CD1-SD 4.22Å; T33-M104 HydrophobicContact CG2-CG 3.61Å; T33-M104 WeakPolarHBondContact OG1-CG 3.29Å; L100-M104 WeakPolarHBondContact O-CG 3.41Å; L100-M104 PolarHBondContact O-N 2.65Å; A101-M104 PolarHBondContact O-N 3Å; K102-M104 VanDerWaalsContact C-N 3.35Å; K102-M104 PolarHBondContact O-N 3Å; M104-K106 HydrophobicContact CB-CG 3.95Å; M104-K106 HydrophobicContact CE-CG 4.49Å; M104-K106 PolarHBondContact O-N 2.76Å; M104-H188 HydrophobicContact CE-CB 4.44Å |
| 105 | G | 97.3 | Very high | 96.5 | Very high | 58 Ų | 58 | 24.4 Ų | 24.4 | 60% | 0.598 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 14.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A101 K102 K103 | A101-G105 PolarHBondContact O-N 3.32Å; K102-G105 PolarHBondContact O-N 3.31Å; K102-G105 VanDerWaalsContact O-N 3.07Å; K103-G105 PolarHBondContact O-N 2.89Å |
| 106 | K | 97.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 24.3 Ų | 24.3 | 8% | 0.078 | 12% | 0.122 | C | C | . | . | trans | -67.9 | 145.2 | 174.1 | -54.1 | -64 | 176.8 | 179.7 | 0 | 109 | E29 A101 M104 M131 V184 E185 H188 | E29-K106 IonicContact OE1-NZ 3.66Å; E29-K106 WeakPolarHBondContact OE2-CE 3.44Å; E29-K106 IonicContact OE2-NZ 2.63Å; E29-K106 PolarHBondContact OE2-NZ 3.31Å; A101-K106 HydrophobicContact CB-CB 4.29Å; A101-K106 WeakPolarHBondContact O-CB 3.37Å; A101-K106 PolarHBondContact O-N 2.85Å; M104-K106 HydrophobicContact CB-CG 3.95Å; M104-K106 HydrophobicContact CE-CG 4.49Å; M104-K106 PolarHBondContact O-N 2.76Å; K106-M131 HydrophobicContact CB-CE 4.19Å; K106-M131 WeakPolarHBondContact O-CE 3.39Å; K106-V184 PolarHBondContact NZ-O 3.36Å; K106-E185 WeakPolarHBondContact CD-O 3.49Å; K106-E185 PolarHBondContact NZ-O 2.62Å; K106-H188 HydrophobicContact CB-CB 4.32Å; K106-H188 HydrophobicContact CG-CB 4.16Å | ||
| 107 | R | 97.8 | Very high | 96 | Very high | 147 Ų | 147 | 25 Ų | 25 | 56% | 0.555 | 13% | 0.125 | S | C | * | . | trans | -104.5 | -20.3 | -178.3 | -65.8 | -177.5 | -66.8 | 122.5 | 3.7 | 112.4 | M131 E132 D186 | R107-M131 WeakPolarHBondContact O-CA 3.5Å; R107-E132 PolarHBondContact O-N 3.19Å; R107-D186 IonicContact CZ-OD2 3.42Å; R107-D186 PolarHBondContact N-O 2.96Å; R107-D186 IonicContact NH2-OD2 3.8Å; R107-D186 PolarHBondContact NH2-OD2 3.19Å | ||
| 108 | K | 98.6 | Very high | 95.9 | Very high | 42 Ų | 42 | 25.4 Ų | 25.4 | 18% | 0.183 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 153.9 | -176 | -46.4 | -175.4 | 178.2 | 138.6 | 0 | 110.6 | E132 D186 T187 H188 | K108-E132 CarbonylContact C-O 3.56Å; K108-E132 VanDerWaalsContact CA-O 3.3Å; K108-E132 WeakPolarHBondContact CA-O 3.25Å; K108-E132 HydrophobicContact CB-CB 4.32Å; K108-E132 WeakPolarHBondContact CE-OE2 3.29Å; K108-E132 HydrophobicContact CG-CB 4.03Å; K108-D186 WeakPolarHBondContact CE-OD2 3.22Å; K108-D186 PolarHBondContact N-O 3.14Å; K108-D186 VanDerWaalsContact N-O 3.1Å; K108-D186 IonicContact NZ-OD1 3.31Å; K108-D186 IonicContact NZ-OD2 3.37Å; K108-D186 PolarHBondContact NZ-OD2 3.46Å; K108-T187 HydrophobicContact CB-CG2 4.15Å; K108-T187 WeakPolarHBondContact O-CA 3.48Å; K108-H188 PolarHBondContact O-N 2.84Å |
| 109 | V | 98.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 143.5 | 168.6 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | V98 A101 T122 A126 M131 E132 C133 T134 H188 V190 | V98-V109 HydrophobicContact CG2-CG1 4.3Å; A101-V109 HydrophobicContact CB-CG1 4.08Å; V109-T122 HydrophobicContact CG2-CG2 4.07Å; V109-A126 HydrophobicContact CG2-CB 3.66Å; V109-M131 HydrophobicContact CG1-CE 3.73Å; V109-M131 HydrophobicContact CG1-SD 4.06Å; V109-E132 PolarHBondContact N-O 3.38Å; V109-C133 HydrophobicContact CG2-CB 4Å; V109-C133 WeakPolarHBondContact O-CA 3.4Å; V109-T134 PolarHBondContact O-N 3.4Å; V109-H188 CarbonylContact C-O 3.49Å; V109-H188 VanDerWaalsContact CA-O 3.26Å; V109-H188 WeakPolarHBondContact CA-O 3.29Å; V109-V190 HydrophobicContact CB-CG2 3.87Å; V109-V190 HydrophobicContact CG1-CG2 4.04Å |
| 110 | V | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143.6 | 171.9 | 63.7 | 0 | 0 | 0 | 0 | 109.3 | T134 F136 A176 Y179 W180 T187 H188 Y189 V190 | V110-T134 VanDerWaalsContact CA-O 3.27Å; V110-T134 WeakPolarHBondContact CA-O 3.48Å; V110-F136 HydrophobicContact CG2-CD2 3.74Å; V110-F136 HydrophobicContact CG2-CE2 3.65Å; V110-A176 HydrophobicContact CG2-CB 4.39Å; V110-Y179 HydrophobicContact CB-CD1 3.91Å; V110-Y179 HydrophobicContact CB-CE1 4.2Å; V110-Y179 HydrophobicContact CG1-CD1 4.13Å; V110-Y179 HydrophobicContact CG2-CD1 3.72Å; V110-Y179 HydrophobicContact CG2-CE1 4.3Å; V110-Y179 HydrophobicContact CG2-CG 4.32Å; V110-W180 HydrophobicContact CG1-CB 4.09Å; V110-T187 HydrophobicContact CB-CG2 4.02Å; V110-T187 HydrophobicContact CG1-CG2 3.76Å; V110-H188 PolarHBondContact N-O 2.74Å; V110-Y189 HydrophobicContact CG1-CD2 4.05Å; V110-Y189 CarbonylContact O-C 3.53Å; V110-Y189 WeakPolarHBondContact O-CA 3.48Å; V110-Y189 WeakPolarHBondContact O-CD2 3.33Å; V110-V190 PolarHBondContact O-N 3.34Å |
| 111 | A | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 167.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | T122 T134 I135 F136 V190 | A111-T122 HydrophobicContact CB-CG2 3.87Å; A111-T134 PolarHBondContact N-O 3.33Å; A111-I135 HydrophobicContact CB-CD1 3.73Å; A111-I135 CarbonylContact O-C 3.4Å; A111-I135 VanDerWaalsContact O-CA 3.32Å; A111-I135 WeakPolarHBondContact O-CA 3.28Å; A111-F136 PolarHBondContact O-N 2.87Å; A111-V190 HydrophobicContact CB-CB 4.32Å |
| 112 | E | 94.9 | Very high | 95.9 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 7% | 0.07 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 160.2 | 171 | 81.1 | -69.3 | 180 | 0 | 0 | 110.7 | H118 F136 L169 A172 V173 A176 Y189 G192 | E112-H118 PolarHBondContact O-CD2 3.44Å; E112-F136 CarbonylContact C-O 3.53Å; E112-F136 VanDerWaalsContact CA-O 3.28Å; E112-F136 WeakPolarHBondContact CA-O 3.45Å; E112-L169 HydrophobicContact CG-CD1 3.78Å; E112-A172 HydrophobicContact CB-CB 4.2Å; E112-V173 HydrophobicContact CB-CG2 4.35Å; E112-V173 HydrophobicContact CG-CG2 3.7Å; E112-A176 HydrophobicContact CB-CB 4.16Å; E112-Y189 VanDerWaalsContact CD-OH 3.3Å; E112-Y189 VanDerWaalsContact OE2-CE2 3.23Å; E112-Y189 WeakPolarHBondContact OE2-CE2 3.37Å; E112-Y189 PolarHBondContact OE2-OH 2.94Å; E112-G192 PolarHBondContact OE1-N 2.94Å |
| 113 | T | 94 | Very high | 95.9 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 148.5 | 166.4 | -152.3 | 0 | 0 | 0 | 0 | 112.9 | G116 G119 I135 F136 M137 M152 | T113-G116 VanDerWaalsContact OG1-CA 3.26Å; T113-G116 WeakPolarHBondContact OG1-CA 3.34Å; T113-G116 PolarHBondContact OG1-N 2.95Å; T113-G119 PolarHBondContact OG1-N 3.5Å; T113-G119 VanDerWaalsContact OG1-N 3.16Å; T113-I135 HydrophobicContact CG2-CG2 3.73Å; T113-F136 PolarHBondContact N-O 3.28Å; T113-M137 HydrophobicContact CG2-CB 4.08Å; T113-M137 HydrophobicContact CG2-CE 4.29Å; T113-M137 HydrophobicContact CG2-CG 3.82Å; T113-M137 HydrophobicContact CG2-SD 3.53Å; T113-M137 VanDerWaalsContact CG2-SD 3.53Å; T113-M137 WeakPolarHBondContact O-CG 3.39Å; T113-M152 HydrophobicContact CG2-CE 4.15Å; T113-M152 HydrophobicContact CG2-SD 4.33Å |
| 114 | G | 85.9 | Confident | 96 | Very high | 4 Ų | 4 | 16.7 Ų | 16.7 | 4% | 0.041 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -103.2 | -83.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | G116 M137 | G114-G116 PolarHBondContact O-N 3.24Å; G114-M137 WeakPolarHBondContact O-CE 3.24Å |
| 115 | A | 83.8 | Confident | 96 | Very high | 7 Ų | 7 | 15.5 Ų | 15.5 | 6% | 0.058 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -59 | -8.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q117 Q145 N148 A305 K384 | A115-Q117 VanDerWaalsContact C-N 3.31Å; A115-Q117 PolarHBondContact O-N 3.47Å; A115-Q145 PolarHBondContact O-OE1 3.45Å; A115-N148 PolarHBondContact O-ND2 3.22Å; A115-A305 HydrophobicContact CB-CB 3.94Å; A115-K384 HydrophobicContact CB-CD 4.3Å |
| 116 | G | 91.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | S | Bend | trans | 86.4 | -15.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T113 G114 H118 G119 V120 | T113-G116 VanDerWaalsContact OG1-CA 3.26Å; T113-G116 WeakPolarHBondContact OG1-CA 3.34Å; T113-G116 PolarHBondContact OG1-N 2.95Å; G114-G116 PolarHBondContact O-N 3.24Å; G116-H118 PolarHBondContact O-N 3.24Å; G116-G119 PolarHBondContact O-N 3.49Å; G116-V120 WeakPolarHBondContact O-CB 3.43Å; G116-V120 VanDerWaalsContact O-CG2 3.29Å; G116-V120 WeakPolarHBondContact O-CG2 3.45Å; G116-V120 PolarHBondContact O-N 2.89Å |
| 117 | Q | 93.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 14.3 Ų | 14.3 | 7% | 0.065 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.1 | -40 | -176.3 | -72.5 | -68.7 | -6.6 | 0 | 0 | 113.3 | K90 A115 A121 K384 | K90-Q117 HydrophobicContact CG-CB 4.37Å; A115-Q117 VanDerWaalsContact C-N 3.31Å; A115-Q117 PolarHBondContact O-N 3.47Å; Q117-A121 VanDerWaalsContact O-CB 3.32Å; Q117-A121 WeakPolarHBondContact O-CB 2.91Å; Q117-A121 PolarHBondContact O-N 3.46Å; Q117-K384 HydrophobicContact CG-CD 3.82Å |
| 118 | H | 96.7 | Very high | 96.2 | Very high | 9 Ų | 9 | 9.9 Ų | 9.9 | 4% | 0.042 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -68.5 | -40.7 | 174.8 | -177.9 | 47.9 | 0 | 0 | 0 | 111.5 | K90 E112 G116 A121 T122 V190 G192 | K90-H118 HydrophobicContact CD-CB 4.36Å; K90-H118 HydrophobicContact CG-CB 4.47Å; E112-H118 PolarHBondContact O-CD2 3.44Å; G116-H118 PolarHBondContact O-N 3.24Å; H118-A121 PolarHBondContact O-N 3.41Å; H118-T122 PolarHBondContact CE1-OG1 2.93Å; H118-T122 PolarHBondContact NE2-OG1 3.25Å; H118-T122 WeakPolarHBondContact O-CB 3.44Å; H118-T122 PolarHBondContact O-N 3.42Å; H118-T122 PolarHBondContact O-OG1 3.19Å; H118-V190 PolarHBondContact NE2-O 3.32Å; H118-G192 WeakPolarHBondContact CD2-CA 3.31Å; H118-G192 VanDerWaalsContact CE1-CA 3.43Å; H118-G192 WeakPolarHBondContact CE1-CA 3.44Å; H118-G192 WeakPolarHBondContact NE2-CA 3.49Å; H118-G192 PolarHBondContact NE2-N 2.95Å |
| 119 | G | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T113 G116 A121 T122 A123 M152 | T113-G119 PolarHBondContact OG1-N 3.5Å; T113-G119 VanDerWaalsContact OG1-N 3.16Å; G116-G119 PolarHBondContact O-N 3.49Å; G119-A121 PolarHBondContact O-N 3.34Å; G119-T122 PolarHBondContact O-N 2.85Å; G119-A123 VanDerWaalsContact O-CB 3.28Å; G119-A123 WeakPolarHBondContact O-CB 3.29Å; G119-A123 PolarHBondContact O-N 3.01Å; G119-M152 WeakPolarHBondContact CA-SD 3.39Å |
| 120 | V | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | G116 T124 N148 R151 M152 L155 | G116-V120 WeakPolarHBondContact O-CB 3.43Å; G116-V120 VanDerWaalsContact O-CG2 3.29Å; G116-V120 WeakPolarHBondContact O-CG2 3.45Å; G116-V120 PolarHBondContact O-N 2.89Å; V120-T124 VanDerWaalsContact O-CB 3.28Å; V120-T124 WeakPolarHBondContact O-CB 3.41Å; V120-T124 PolarHBondContact O-N 2.96Å; V120-T124 PolarHBondContact O-OG1 2.84Å; V120-N148 HydrophobicContact CG2-CB 3.97Å; V120-R151 HydrophobicContact CG2-CB 3.98Å; V120-M152 HydrophobicContact CB-CG 4.38Å; V120-M152 HydrophobicContact CG2-CG 3.7Å; V120-L155 HydrophobicContact CG1-CD1 4.29Å |
| 121 | A | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K90 I91 A94 Q117 H118 G119 T124 A125 | K90-A121 HydrophobicContact CB-CB 3.93Å; I91-A121 HydrophobicContact CB-CB 4.47Å; I91-A121 HydrophobicContact CD1-CB 4.23Å; A94-A121 HydrophobicContact CB-CB 3.87Å; Q117-A121 VanDerWaalsContact O-CB 3.32Å; Q117-A121 WeakPolarHBondContact O-CB 2.91Å; Q117-A121 PolarHBondContact O-N 3.46Å; H118-A121 PolarHBondContact O-N 3.41Å; G119-A121 PolarHBondContact O-N 3.34Å; A121-T124 PolarHBondContact O-N 3.11Å; A121-A125 PolarHBondContact O-N 3.15Å |
| 122 | T | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.6 | -46.2 | 178.3 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | V109 A111 H118 G119 T124 A125 A126 I135 V190 | V109-T122 HydrophobicContact CG2-CG2 4.07Å; A111-T122 HydrophobicContact CB-CG2 3.87Å; H118-T122 PolarHBondContact CE1-OG1 2.93Å; H118-T122 PolarHBondContact NE2-OG1 3.25Å; H118-T122 WeakPolarHBondContact O-CB 3.44Å; H118-T122 PolarHBondContact O-N 3.42Å; H118-T122 PolarHBondContact O-OG1 3.19Å; G119-T122 PolarHBondContact O-N 2.85Å; T122-T124 VanDerWaalsContact C-N 3.29Å; T122-T124 PolarHBondContact O-N 2.92Å; T122-A125 PolarHBondContact O-N 3.08Å; T122-A126 VanDerWaalsContact O-CB 3.3Å; T122-A126 WeakPolarHBondContact O-CB 3.49Å; T122-A126 PolarHBondContact O-N 3.36Å; T122-I135 HydrophobicContact CG2-CD1 4.12Å; T122-V190 HydrophobicContact CG2-CB 3.97Å; T122-V190 HydrophobicContact CG2-CG1 4.12Å; T122-V190 HydrophobicContact CG2-CG2 4.02Å |
| 123 | A | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.6 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G119 A126 A127 M152 L155 A157 | G119-A123 VanDerWaalsContact O-CB 3.28Å; G119-A123 WeakPolarHBondContact O-CB 3.29Å; G119-A123 PolarHBondContact O-N 3.01Å; A123-A126 PolarHBondContact O-N 2.93Å; A123-A127 VanDerWaalsContact O-CB 3.31Å; A123-A127 WeakPolarHBondContact O-CB 3.31Å; A123-A127 PolarHBondContact O-N 3.16Å; A123-M152 HydrophobicContact CB-CB 4.46Å; A123-M152 HydrophobicContact CB-CG 4.34Å; A123-L155 HydrophobicContact CB-CB 4.01Å; A123-L155 HydrophobicContact CB-CD1 3.93Å; A123-A157 HydrophobicContact CB-CB 3.61Å |
| 124 | T | 98.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 19.5 Ų | 19.5 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 177.4 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | Y54 T86 I91 V120 A121 T122 L128 L155 | Y54-T124 HydrophobicContact CE1-CG2 3.91Å; Y54-T124 WeakPolarHBondContact OH-CG2 3.49Å; T86-T124 HydrophobicContact CG2-CG2 3.99Å; I91-T124 HydrophobicContact CD1-CG2 4.35Å; V120-T124 VanDerWaalsContact O-CB 3.28Å; V120-T124 WeakPolarHBondContact O-CB 3.41Å; V120-T124 PolarHBondContact O-N 2.96Å; V120-T124 PolarHBondContact O-OG1 2.84Å; A121-T124 PolarHBondContact O-N 3.11Å; T122-T124 VanDerWaalsContact C-N 3.29Å; T122-T124 PolarHBondContact O-N 2.92Å; T124-L128 WeakPolarHBondContact O-CB 3.28Å; T124-L128 PolarHBondContact O-N 3.06Å; T124-L128 VanDerWaalsContact O-N 3.09Å; T124-L155 VanDerWaalsContact OG1-CD1 3.3Å; T124-L155 WeakPolarHBondContact OG1-CD1 3.21Å |
| 125 | A | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.3 | -40.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A94 L95 V98 A121 T122 L128 F129 | A94-A125 HydrophobicContact CB-CB 4.34Å; L95-A125 HydrophobicContact CD2-CB 4.03Å; L95-A125 HydrophobicContact CG-CB 4.48Å; V98-A125 HydrophobicContact CB-CB 3.96Å; V98-A125 HydrophobicContact CG1-CB 4.35Å; V98-A125 HydrophobicContact CG2-CB 3.71Å; A121-A125 PolarHBondContact O-N 3.15Å; T122-A125 PolarHBondContact O-N 3.08Å; A125-L128 WeakPolarHBondContact O-CB 3.43Å; A125-L128 PolarHBondContact O-N 3.17Å; A125-F129 VanDerWaalsContact O-CD2 3.22Å; A125-F129 WeakPolarHBondContact O-CD2 3.34Å; A125-F129 PolarHBondContact O-N 3.25Å; A125-F129 VanDerWaalsContact O-N 3.11Å |
| 126 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V109 T122 A123 L128 F129 G130 M131 C133 | V109-A126 HydrophobicContact CG2-CB 3.66Å; T122-A126 VanDerWaalsContact O-CB 3.3Å; T122-A126 WeakPolarHBondContact O-CB 3.49Å; T122-A126 PolarHBondContact O-N 3.36Å; A123-A126 PolarHBondContact O-N 2.93Å; A126-L128 VanDerWaalsContact C-N 3.33Å; A126-L128 PolarHBondContact O-N 3.06Å; A126-F129 CarbonylContact O-C 3.57Å; A126-F129 PolarHBondContact O-N 3.29Å; A126-G130 PolarHBondContact O-N 2.79Å; A126-M131 HydrophobicContact CB-CB 4.33Å; A126-M131 PolarHBondContact O-N 2.68Å; A126-C133 HydrophobicContact CB-CB 3.62Å |
| 127 | A | 98.6 | Very high | 97.9 | Very high | 50 Ų | 50 | 19.8 Ų | 19.8 | 41% | 0.413 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A123 F129 G130 | A123-A127 VanDerWaalsContact O-CB 3.31Å; A123-A127 WeakPolarHBondContact O-CB 3.31Å; A123-A127 PolarHBondContact O-N 3.16Å; A127-F129 VanDerWaalsContact C-N 3.3Å; A127-F129 PolarHBondContact O-N 2.77Å; A127-G130 PolarHBondContact O-N 2.91Å |
| 128 | L | 98.3 | Very high | 97.9 | Very high | 54 Ų | 54 | 19.1 Ų | 19.1 | 28% | 0.283 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -59 | -39.4 | 177.1 | 175.8 | 64.5 | 0 | 0 | 0 | 112.6 | Y50 Y54 L95 T124 A125 A126 | Y50-L128 HydrophobicContact CD1-CD2 3.79Å; Y50-L128 HydrophobicContact CE1-CD1 4.18Å; Y50-L128 HydrophobicContact CE1-CD2 3.96Å; Y50-L128 HydrophobicContact CE1-CG 4.37Å; Y50-L128 HydrophobicContact CG-CD2 4.36Å; Y54-L128 HydrophobicContact CD1-CD2 3.95Å; Y54-L128 HydrophobicContact CD2-CD1 4.3Å; Y54-L128 HydrophobicContact CD2-CD2 4.48Å; Y54-L128 HydrophobicContact CE1-CD2 3.97Å; Y54-L128 HydrophobicContact CE2-CD1 4.04Å; Y54-L128 HydrophobicContact CG-CD2 4.21Å; L95-L128 HydrophobicContact CD2-CD2 3.79Å; T124-L128 WeakPolarHBondContact O-CB 3.28Å; T124-L128 PolarHBondContact O-N 3.06Å; T124-L128 VanDerWaalsContact O-N 3.09Å; A125-L128 WeakPolarHBondContact O-CB 3.43Å; A125-L128 PolarHBondContact O-N 3.17Å; A126-L128 VanDerWaalsContact C-N 3.33Å; A126-L128 PolarHBondContact O-N 3.06Å |
| 129 | F | 98.1 | Very high | 97.7 | Very high | 33 Ų | 33 | 21 Ų | 21 | 15% | 0.145 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -96.3 | 5.5 | -178.1 | -67.1 | -64.2 | 0 | 0 | 0 | 114.2 | Y50 L95 V98 L99 K102 A125 A126 A127 M131 | Y50-F129 HydrophobicContact CD2-CE1 4.21Å; Y50-F129 AromaticContact CD2-CZ 3.79Å; Y50-F129 HydrophobicContact CD2-CZ 3.79Å; Y50-F129 AromaticContact CE2-CE1 3.56Å; Y50-F129 HydrophobicContact CE2-CE1 3.56Å; Y50-F129 AromaticContact CE2-CZ 3.63Å; Y50-F129 HydrophobicContact CE2-CZ 3.63Å; Y50-F129 HydrophobicContact CG-CZ 4.44Å; Y50-F129 AromaticContact CZ-CE1 3.86Å; L95-F129 HydrophobicContact CD2-CE2 3.98Å; V98-F129 HydrophobicContact CB-CD2 4.25Å; V98-F129 HydrophobicContact CG1-CB 4.19Å; V98-F129 HydrophobicContact CG1-CD2 3.61Å; V98-F129 HydrophobicContact CG1-CE2 4.47Å; V98-F129 HydrophobicContact CG1-CG 4.3Å; L99-F129 HydrophobicContact CB-CE2 4.45Å; L99-F129 HydrophobicContact CB-CZ 4.38Å; L99-F129 HydrophobicContact CD1-CE1 3.97Å; L99-F129 HydrophobicContact CD1-CZ 3.96Å; K102-F129 HydrophobicContact CD-CD1 3.97Å; K102-F129 HydrophobicContact CD-CE1 4.49Å; A125-F129 VanDerWaalsContact O-CD2 3.22Å; A125-F129 WeakPolarHBondContact O-CD2 3.34Å; A125-F129 PolarHBondContact O-N 3.25Å; A125-F129 VanDerWaalsContact O-N 3.11Å; A126-F129 CarbonylContact O-C 3.57Å; A126-F129 PolarHBondContact O-N 3.29Å; A127-F129 VanDerWaalsContact C-N 3.3Å; A127-F129 PolarHBondContact O-N 2.77Å; F129-M131 HydrophobicContact CB-CG 4.31Å; F129-M131 HydrophobicContact CB-SD 4.48Å |
| 130 | G | 97.8 | Very high | 97.2 | Very high | 72 Ų | 72 | 22.8 Ų | 22.8 | 74% | 0.742 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66 | 34.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A126 A127 | A126-G130 PolarHBondContact O-N 2.79Å; A127-G130 PolarHBondContact O-N 2.91Å |
| 131 | M | 98.5 | Very high | 96.6 | Very high | 19 Ų | 19 | 23 Ų | 23 | 9% | 0.094 | 14% | 0.141 | C | C | . | . | trans | -101.7 | 143.7 | 178.7 | -60.2 | -177.9 | 79.8 | 0 | 0 | 110.8 | V98 A101 K106 R107 V109 A126 F129 | V98-M131 HydrophobicContact CG1-SD 3.56Å; V98-M131 VanDerWaalsContact CG1-SD 3.56Å; A101-M131 HydrophobicContact CB-CE 3.6Å; A101-M131 HydrophobicContact CB-SD 4.21Å; K106-M131 HydrophobicContact CB-CE 4.19Å; K106-M131 WeakPolarHBondContact O-CE 3.39Å; R107-M131 WeakPolarHBondContact O-CA 3.5Å; V109-M131 HydrophobicContact CG1-CE 3.73Å; V109-M131 HydrophobicContact CG1-SD 4.06Å; A126-M131 HydrophobicContact CB-CB 4.33Å; A126-M131 PolarHBondContact O-N 2.68Å; F129-M131 HydrophobicContact CB-CG 4.31Å; F129-M131 HydrophobicContact CB-SD 4.48Å | ||
| 132 | E | 98.6 | Very high | 96.2 | Very high | 115 Ų | 115 | 24.4 Ų | 24.4 | 54% | 0.537 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 139.5 | 170.3 | -62.1 | 171.5 | -147.5 | 0 | 0 | 109.4 | R107 K108 V109 | R107-E132 PolarHBondContact O-N 3.19Å; K108-E132 CarbonylContact C-O 3.56Å; K108-E132 VanDerWaalsContact CA-O 3.3Å; K108-E132 WeakPolarHBondContact CA-O 3.25Å; K108-E132 HydrophobicContact CB-CB 4.32Å; K108-E132 WeakPolarHBondContact CE-OE2 3.29Å; K108-E132 HydrophobicContact CG-CB 4.03Å; V109-E132 PolarHBondContact N-O 3.38Å |
| 133 | C | 98.8 | Very high | 95.6 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 5% | 0.054 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 126.1 | -175.9 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | V109 A126 I135 A157 K158 | V109-C133 HydrophobicContact CG2-CB 4Å; V109-C133 WeakPolarHBondContact O-CA 3.4Å; A126-C133 HydrophobicContact CB-CB 3.62Å; C133-I135 VanDerWaalsContact SG-CD1 3.56Å; C133-A157 HydrophobicContact CB-CB 3.87Å; C133-A157 CarbonylContact O-C 3.13Å; C133-A157 WeakPolarHBondContact O-CA 3.45Å; C133-K158 PolarHBondContact O-N 3.32Å |
| 134 | T | 98.7 | Very high | 94.8 | Very high | 18 Ų | 18 | 38 Ų | 38 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.5 | 171 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | V109 V110 A111 F136 K158 E160 | V109-T134 PolarHBondContact O-N 3.4Å; V110-T134 VanDerWaalsContact CA-O 3.27Å; V110-T134 WeakPolarHBondContact CA-O 3.48Å; A111-T134 PolarHBondContact N-O 3.33Å; T134-F136 HydrophobicContact CG2-CD2 4.46Å; T134-F136 HydrophobicContact CG2-CE2 3.99Å; T134-F136 HydrophobicContact CG2-CZ 4.39Å; T134-K158 CarbonylContact C-O 3.6Å; T134-K158 WeakPolarHBondContact CA-O 3.27Å; T134-E160 HydrophobicContact CG2-CG 3.74Å |
| 135 | I | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.7 | 177 | -54.6 | -59.7 | 0 | 0 | 0 | 109.3 | A111 T113 T122 C133 M152 A157 K158 V159 E160 | A111-I135 HydrophobicContact CB-CD1 3.73Å; A111-I135 CarbonylContact O-C 3.4Å; A111-I135 VanDerWaalsContact O-CA 3.32Å; A111-I135 WeakPolarHBondContact O-CA 3.28Å; T113-I135 HydrophobicContact CG2-CG2 3.73Å; T122-I135 HydrophobicContact CG2-CD1 4.12Å; C133-I135 VanDerWaalsContact SG-CD1 3.56Å; I135-M152 HydrophobicContact CB-SD 4.09Å; I135-M152 HydrophobicContact CG1-SD 3.93Å; I135-M152 HydrophobicContact CG2-CE 4.43Å; I135-M152 HydrophobicContact CG2-SD 3.76Å; I135-A157 HydrophobicContact CG1-CB 4.34Å; I135-K158 PolarHBondContact N-O 3.12Å; I135-V159 CarbonylContact O-C 3.53Å; I135-V159 WeakPolarHBondContact O-CA 3.38Å; I135-E160 PolarHBondContact O-N 2.8Å |
| 136 | F | 97.9 | Very high | 93.4 | Very high | 17 Ų | 17 | 41.2 Ų | 41.2 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 134.2 | 168.9 | -72.3 | -86.3 | 0 | 0 | 0 | 110.3 | V110 A111 E112 T113 T134 E160 V162 A172 E175 A176 Y179 | V110-F136 HydrophobicContact CG2-CD2 3.74Å; V110-F136 HydrophobicContact CG2-CE2 3.65Å; A111-F136 PolarHBondContact O-N 2.87Å; E112-F136 CarbonylContact C-O 3.53Å; E112-F136 VanDerWaalsContact CA-O 3.28Å; E112-F136 WeakPolarHBondContact CA-O 3.45Å; T113-F136 PolarHBondContact N-O 3.28Å; T134-F136 HydrophobicContact CG2-CD2 4.46Å; T134-F136 HydrophobicContact CG2-CE2 3.99Å; T134-F136 HydrophobicContact CG2-CZ 4.39Å; F136-E160 WeakPolarHBondContact CA-O 3.27Å; F136-E160 HydrophobicContact CD1-CB 3.68Å; F136-E160 HydrophobicContact CE1-CB 3.7Å; F136-E160 HydrophobicContact CE1-CG 4.12Å; F136-E160 HydrophobicContact CG-CB 4.36Å; F136-E160 HydrophobicContact CZ-CB 4.38Å; F136-E160 HydrophobicContact CZ-CG 4.37Å; F136-V162 HydrophobicContact CB-CG2 4.2Å; F136-V162 HydrophobicContact CD1-CG2 3.81Å; F136-V162 HydrophobicContact CG-CG2 4.5Å; F136-A172 HydrophobicContact CB-CB 4.3Å; F136-E175 HydrophobicContact CD1-CB 3.67Å; F136-E175 HydrophobicContact CE1-CB 3.95Å; F136-E175 HydrophobicContact CG-CB 4.19Å; F136-A176 HydrophobicContact CB-CB 4.36Å; F136-A176 HydrophobicContact CD2-CB 3.87Å; F136-A176 HydrophobicContact CG-CB 4.37Å; F136-Y179 HydrophobicContact CE2-CD1 4.35Å; F136-Y179 HydrophobicContact CE2-CD2 4.03Å; F136-Y179 AromaticContact CE2-CG 3.73Å; F136-Y179 HydrophobicContact CE2-CG 3.73Å; F136-Y179 AromaticContact CZ-CD2 3.78Å; F136-Y179 HydrophobicContact CZ-CD2 3.78Å; F136-Y179 AromaticContact CZ-CG 3.91Å; F136-Y179 HydrophobicContact CZ-CG 3.91Å |
| 137 | M | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 135.1 | -179 | -169.7 | 164.7 | 179 | 0 | 0 | 109.3 | T113 G114 D141 V142 Q145 V149 M152 V159 E160 S161 V162 | T113-M137 HydrophobicContact CG2-CB 4.08Å; T113-M137 HydrophobicContact CG2-CE 4.29Å; T113-M137 HydrophobicContact CG2-CG 3.82Å; T113-M137 HydrophobicContact CG2-SD 3.53Å; T113-M137 VanDerWaalsContact CG2-SD 3.53Å; T113-M137 WeakPolarHBondContact O-CG 3.39Å; G114-M137 WeakPolarHBondContact O-CE 3.24Å; M137-D141 VanDerWaalsContact CE-C 3.46Å; M137-D141 HydrophobicContact CE-CB 3.85Å; M137-D141 VanDerWaalsContact CE-O 3.3Å; M137-D141 WeakPolarHBondContact CE-O 3.48Å; M137-D141 HydrophobicContact CG-CB 4.12Å; M137-V142 HydrophobicContact CB-CG2 3.8Å; M137-V142 HydrophobicContact CG-CG2 3.71Å; M137-V142 HydrophobicContact SD-CG2 4.1Å; M137-Q145 HydrophobicContact CE-CB 3.62Å; M137-Q145 HydrophobicContact CE-CG 4.29Å; M137-V149 HydrophobicContact CE-CG2 4.09Å; M137-V149 HydrophobicContact SD-CG2 3.71Å; M137-M152 HydrophobicContact SD-CE 3.78Å; M137-V159 HydrophobicContact CB-CG1 4.23Å; M137-E160 PolarHBondContact N-O 3.24Å; M137-S161 CarbonylContact O-C 3.55Å; M137-S161 WeakPolarHBondContact O-CA 3.46Å; M137-V162 PolarHBondContact O-N 2.99Å |
| 138 | G | 91.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 141.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | V140 D141 V142 E167 | G138-V140 PolarHBondContact O-N 3.26Å; G138-D141 CarbonylContact O-C 3.56Å; G138-D141 WeakPolarHBondContact O-CA 3.32Å; G138-D141 WeakPolarHBondContact O-CB 3.42Å; G138-D141 PolarHBondContact O-N 3.41Å; G138-V142 WeakPolarHBondContact O-CG2 3.46Å; G138-V142 PolarHBondContact O-N 3.46Å; G138-E167 CarbonylContact C-O 3.56Å; G138-E167 WeakPolarHBondContact CA-O 3.42Å |
| 139 | E | 93.9 | Very high | 92.3 | Very high | 48 Ų | 48 | 41.8 Ų | 41.8 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.7 | -33.5 | -176.9 | 174.7 | 70.4 | -161.7 | 0 | 0 | 112.8 | K143 S161 V162 T163 E167 | E139-K143 PolarHBondContact O-N 3.01Å; E139-K143 WeakPolarHBondContact OE1-CE 3.06Å; E139-K143 IonicContact OE1-NZ 3.02Å; E139-K143 PolarHBondContact OE1-NZ 3.01Å; E139-S161 VanDerWaalsContact CA-OG 3.3Å; E139-S161 WeakPolarHBondContact CA-OG 3.43Å; E139-S161 WeakPolarHBondContact CB-OG 3.42Å; E139-S161 WeakPolarHBondContact OE2-CB 3.47Å; E139-S161 PolarHBondContact OE2-OG 3.01Å; E139-V162 PolarHBondContact N-O 2.74Å; E139-T163 HydrophobicContact CB-CG2 4.19Å; E139-T163 HydrophobicContact CG-CG2 4.39Å; E139-E167 HydrophobicContact CB-CB 4.11Å; E139-E167 HydrophobicContact CB-CG 4.46Å; E139-E167 PolarHBondContact N-O 2.86Å |
| 140 | V | 86.8 | Confident | 92.2 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 24% | 0.236 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.4 | -43.4 | 173.1 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | G138 K143 R144 E167 | G138-V140 PolarHBondContact O-N 3.26Å; V140-K143 PolarHBondContact O-N 2.86Å; V140-R144 WeakPolarHBondContact O-CG 3.37Å; V140-R144 PolarHBondContact O-N 3.17Å; V140-R144 VanDerWaalsContact O-N 3.1Å; V140-E167 WeakPolarHBondContact CB-O 3.45Å; V140-E167 HydrophobicContact CG2-CB 3.95Å; V140-E167 PolarHBondContact N-O 3.46Å |
| 141 | D | 84.9 | Confident | 92.2 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.5 | -37.4 | 180 | -68 | -39.5 | 0 | 0 | 0 | 112 | M137 G138 K143 R144 Q145 L169 | M137-D141 VanDerWaalsContact CE-C 3.46Å; M137-D141 HydrophobicContact CE-CB 3.85Å; M137-D141 VanDerWaalsContact CE-O 3.3Å; M137-D141 WeakPolarHBondContact CE-O 3.48Å; M137-D141 HydrophobicContact CG-CB 4.12Å; G138-D141 CarbonylContact O-C 3.56Å; G138-D141 WeakPolarHBondContact O-CA 3.32Å; G138-D141 WeakPolarHBondContact O-CB 3.42Å; G138-D141 PolarHBondContact O-N 3.41Å; D141-K143 VanDerWaalsContact C-N 3.25Å; D141-K143 PolarHBondContact O-N 3.16Å; D141-R144 PolarHBondContact O-N 3Å; D141-Q145 VanDerWaalsContact O-CB 3.32Å; D141-Q145 WeakPolarHBondContact O-CB 3.43Å; D141-Q145 PolarHBondContact O-N 2.94Å; D141-L169 PolarHBondContact OD2-N 2.89Å |
| 142 | V | 89.8 | Confident | 92.1 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -53.9 | -44.5 | 173.6 | 167.9 | 0 | 0 | 0 | 0 | 110.6 | M137 G138 A146 V149 | M137-V142 HydrophobicContact CB-CG2 3.8Å; M137-V142 HydrophobicContact CG-CG2 3.71Å; M137-V142 HydrophobicContact SD-CG2 4.1Å; G138-V142 WeakPolarHBondContact O-CG2 3.46Å; G138-V142 PolarHBondContact O-N 3.46Å; V142-A146 PolarHBondContact O-N 3.14Å; V142-V149 HydrophobicContact CB-CG2 4.38Å; V142-V149 HydrophobicContact CG1-CG2 4.16Å; V142-V149 HydrophobicContact CG2-CG2 4.41Å |
| 143 | K | 87.2 | Confident | 92.1 | Very high | 135 Ų | 135 | 44.5 Ų | 44.5 | 59% | 0.587 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -68.2 | -48.9 | 177.5 | -69 | 170.7 | -172.8 | 151 | 0 | 111.9 | E139 V140 D141 Q145 | E139-K143 PolarHBondContact O-N 3.01Å; E139-K143 WeakPolarHBondContact OE1-CE 3.06Å; E139-K143 IonicContact OE1-NZ 3.02Å; E139-K143 PolarHBondContact OE1-NZ 3.01Å; V140-K143 PolarHBondContact O-N 2.86Å; D141-K143 VanDerWaalsContact C-N 3.25Å; D141-K143 PolarHBondContact O-N 3.16Å; K143-Q145 VanDerWaalsContact C-N 3.29Å; K143-Q145 PolarHBondContact O-N 3.16Å |
| 144 | R | 80.7 | Confident | 92.1 | Very high | 152 Ų | 152 | 50.6 Ų | 50.6 | 57% | 0.574 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66.4 | -29.5 | -177 | -71.6 | 176.5 | 178.7 | -178.2 | 0.6 | 113 | V140 D141 | V140-R144 WeakPolarHBondContact O-CG 3.37Å; V140-R144 PolarHBondContact O-N 3.17Å; V140-R144 VanDerWaalsContact O-N 3.1Å; D141-R144 PolarHBondContact O-N 3Å |
| 145 | Q | 83.1 | Confident | 92.1 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 35.6 | -172 | -59.3 | -68.4 | -32.4 | 0 | 0 | 112.1 | A115 M137 D141 K143 L147 N148 V149 | A115-Q145 PolarHBondContact O-OE1 3.45Å; M137-Q145 HydrophobicContact CE-CB 3.62Å; M137-Q145 HydrophobicContact CE-CG 4.29Å; D141-Q145 VanDerWaalsContact O-CB 3.32Å; D141-Q145 WeakPolarHBondContact O-CB 3.43Å; D141-Q145 PolarHBondContact O-N 2.94Å; K143-Q145 VanDerWaalsContact C-N 3.29Å; K143-Q145 PolarHBondContact O-N 3.16Å; Q145-L147 PolarHBondContact O-N 3.23Å; Q145-N148 PolarHBondContact O-N 2.96Å; Q145-V149 PolarHBondContact O-N 3.32Å; Q145-V149 VanDerWaalsContact O-N 3.17Å |
| 146 | A | 86.7 | Confident | 92 | Very high | 60 Ų | 60 | 55.7 Ų | 55.7 | 50% | 0.496 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -51 | -33.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V142 N148 V149 F150 | V142-A146 PolarHBondContact O-N 3.14Å; A146-N148 PolarHBondContact O-N 3.08Å; A146-V149 PolarHBondContact O-N 3.06Å; A146-F150 PolarHBondContact O-N 3.36Å |
| 147 | L | 88 | Confident | 92.1 | Very high | 100 Ų | 100 | 55.2 Ų | 55.2 | 52% | 0.524 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 175 | 179.2 | 63.4 | 0 | 0 | 0 | 112.4 | Q145 R151 | Q145-L147 PolarHBondContact O-N 3.23Å; L147-R151 VanDerWaalsContact O-CG 3.31Å; L147-R151 WeakPolarHBondContact O-CG 3.19Å; L147-R151 PolarHBondContact O-N 3.47Å |
| 148 | N | 90.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74.7 | -33.2 | 179.5 | -76.9 | -27.6 | 0 | 0 | 0 | 111.7 | A115 V120 Q145 A146 R151 M152 | A115-N148 PolarHBondContact O-ND2 3.22Å; V120-N148 HydrophobicContact CG2-CB 3.97Å; Q145-N148 PolarHBondContact O-N 2.96Å; A146-N148 PolarHBondContact O-N 3.08Å; N148-R151 PolarHBondContact O-N 3.26Å; N148-R151 PolarHBondContact OD1-NH1 3.03Å; N148-M152 WeakPolarHBondContact O-CG 3.16Å; N148-M152 PolarHBondContact O-N 3.35Å |
| 149 | V | 94 | Very high | 92.6 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 10% | 0.097 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.9 | -52.9 | 170 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | M137 V142 Q145 A146 R151 M152 E153 V159 | M137-V149 HydrophobicContact CE-CG2 4.09Å; M137-V149 HydrophobicContact SD-CG2 3.71Å; V142-V149 HydrophobicContact CB-CG2 4.38Å; V142-V149 HydrophobicContact CG1-CG2 4.16Å; V142-V149 HydrophobicContact CG2-CG2 4.41Å; Q145-V149 PolarHBondContact O-N 3.32Å; Q145-V149 VanDerWaalsContact O-N 3.17Å; A146-V149 PolarHBondContact O-N 3.06Å; V149-R151 VanDerWaalsContact C-N 3.31Å; V149-R151 PolarHBondContact O-N 2.86Å; V149-M152 HydrophobicContact CG2-CE 4.33Å; V149-M152 WeakPolarHBondContact O-CB 3.49Å; V149-M152 PolarHBondContact O-N 3.11Å; V149-E153 PolarHBondContact O-N 3.2Å; V149-V159 HydrophobicContact CG1-CB 4.44Å; V149-V159 HydrophobicContact CG1-CG1 4.28Å; V149-V159 HydrophobicContact CG1-CG2 4.36Å |
| 150 | F | 95.5 | Very high | 92.8 | Very high | 126 Ų | 126 | 62.7 Ų | 62.7 | 55% | 0.553 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.7 | -39.7 | 178.1 | -179 | -106.4 | 0 | 0 | 0 | 112.8 | A146 M152 E153 L154 | A146-F150 PolarHBondContact O-N 3.36Å; F150-M152 VanDerWaalsContact C-N 3.33Å; F150-M152 PolarHBondContact O-N 3.15Å; F150-E153 PolarHBondContact O-N 2.95Å; F150-L154 WeakPolarHBondContact O-CB 3.44Å; F150-L154 PolarHBondContact O-N 3.02Å |
| 151 | R | 96.4 | Very high | 93.3 | Very high | 63 Ų | 63 | 63.1 Ų | 63.1 | 24% | 0.238 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 175.1 | -74 | 170.9 | 70.9 | -162.5 | 5.8 | 112 | T86 V120 L147 N148 V149 L155 | T86-R151 PolarHBondContact O-NH2 2.99Å; V120-R151 HydrophobicContact CG2-CB 3.98Å; L147-R151 VanDerWaalsContact O-CG 3.31Å; L147-R151 WeakPolarHBondContact O-CG 3.19Å; L147-R151 PolarHBondContact O-N 3.47Å; N148-R151 PolarHBondContact O-N 3.26Å; N148-R151 PolarHBondContact OD1-NH1 3.03Å; V149-R151 VanDerWaalsContact C-N 3.31Å; V149-R151 PolarHBondContact O-N 2.86Å; R151-L155 WeakPolarHBondContact O-CD1 3.28Å; R151-L155 VanDerWaalsContact O-CG 3.25Å; R151-L155 WeakPolarHBondContact O-CG 3.18Å; R151-L155 PolarHBondContact O-N 3.14Å |
| 152 | M | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 177.6 | -70.5 | -177.7 | -69.4 | 0 | 0 | 111.5 | T113 G119 V120 A123 I135 M137 N148 V149 F150 L154 L155 G156 A157 V159 | T113-M152 HydrophobicContact CG2-CE 4.15Å; T113-M152 HydrophobicContact CG2-SD 4.33Å; G119-M152 WeakPolarHBondContact CA-SD 3.39Å; V120-M152 HydrophobicContact CB-CG 4.38Å; V120-M152 HydrophobicContact CG2-CG 3.7Å; A123-M152 HydrophobicContact CB-CB 4.46Å; A123-M152 HydrophobicContact CB-CG 4.34Å; I135-M152 HydrophobicContact CB-SD 4.09Å; I135-M152 HydrophobicContact CG1-SD 3.93Å; I135-M152 HydrophobicContact CG2-CE 4.43Å; I135-M152 HydrophobicContact CG2-SD 3.76Å; M137-M152 HydrophobicContact SD-CE 3.78Å; N148-M152 WeakPolarHBondContact O-CG 3.16Å; N148-M152 PolarHBondContact O-N 3.35Å; V149-M152 HydrophobicContact CG2-CE 4.33Å; V149-M152 WeakPolarHBondContact O-CB 3.49Å; V149-M152 PolarHBondContact O-N 3.11Å; F150-M152 VanDerWaalsContact C-N 3.33Å; F150-M152 PolarHBondContact O-N 3.15Å; M152-L154 PolarHBondContact O-N 3.05Å; M152-L155 WeakPolarHBondContact O-CB 3.29Å; M152-L155 PolarHBondContact O-N 3.27Å; M152-L155 VanDerWaalsContact O-N 3.14Å; M152-G156 PolarHBondContact O-N 2.76Å; M152-A157 HydrophobicContact CB-CB 4.4Å; M152-A157 WeakPolarHBondContact O-CB 3.4Å; M152-A157 PolarHBondContact O-N 2.9Å; M152-A157 VanDerWaalsContact O-N 3.09Å; M152-V159 HydrophobicContact CB-CG2 3.77Å; M152-V159 HydrophobicContact CE-CG1 4.36Å; M152-V159 HydrophobicContact CE-CG2 3.93Å; M152-V159 HydrophobicContact SD-CG2 4.4Å |
| 153 | E | 98.1 | Very high | 94 | Very high | 107 Ų | 107 | 66.4 Ų | 66.4 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 177.2 | -66.4 | 176.5 | 148.6 | 0 | 0 | 112 | V149 F150 L155 G156 V159 | V149-E153 PolarHBondContact O-N 3.2Å; F150-E153 PolarHBondContact O-N 2.95Å; E153-L155 PolarHBondContact O-N 3.36Å; E153-G156 WeakPolarHBondContact O-CA 3.22Å; E153-G156 PolarHBondContact O-N 3.12Å; E153-V159 HydrophobicContact CG-CG2 4.13Å |
| 154 | L | 97.9 | Very high | 94.1 | Very high | 136 Ų | 136 | 62.3 Ų | 62.3 | 71% | 0.712 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.5 | -30.8 | 175.4 | -175.3 | 65.9 | 0 | 0 | 0 | 112.5 | F150 M152 G156 | F150-L154 WeakPolarHBondContact O-CB 3.44Å; F150-L154 PolarHBondContact O-N 3.02Å; M152-L154 PolarHBondContact O-N 3.05Å; L154-G156 PolarHBondContact O-N 2.96Å |
| 155 | L | 98.4 | Very high | 94.4 | Very high | 59 Ų | 59 | 58.3 Ų | 58.3 | 31% | 0.309 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -0.9 | 174.5 | -69.1 | 163.6 | 0 | 0 | 0 | 112.9 | V120 A123 T124 R151 M152 E153 | V120-L155 HydrophobicContact CG1-CD1 4.29Å; A123-L155 HydrophobicContact CB-CB 4.01Å; A123-L155 HydrophobicContact CB-CD1 3.93Å; T124-L155 VanDerWaalsContact OG1-CD1 3.3Å; T124-L155 WeakPolarHBondContact OG1-CD1 3.21Å; R151-L155 WeakPolarHBondContact O-CD1 3.28Å; R151-L155 VanDerWaalsContact O-CG 3.25Å; R151-L155 WeakPolarHBondContact O-CG 3.18Å; R151-L155 PolarHBondContact O-N 3.14Å; M152-L155 WeakPolarHBondContact O-CB 3.29Å; M152-L155 PolarHBondContact O-N 3.27Å; M152-L155 VanDerWaalsContact O-N 3.14Å; E153-L155 PolarHBondContact O-N 3.36Å |
| 156 | G | 98.3 | Very high | 94.3 | Very high | 66 Ų | 66 | 59.2 Ų | 59.2 | 68% | 0.68 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | 8.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | M152 E153 L154 | M152-G156 PolarHBondContact O-N 2.76Å; E153-G156 WeakPolarHBondContact O-CA 3.22Å; E153-G156 PolarHBondContact O-N 3.12Å; L154-G156 PolarHBondContact O-N 2.96Å |
| 157 | A | 98.6 | Very high | 94.4 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 7% | 0.066 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 144.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A123 C133 I135 M152 | A123-A157 HydrophobicContact CB-CB 3.61Å; C133-A157 HydrophobicContact CB-CB 3.87Å; C133-A157 CarbonylContact O-C 3.13Å; C133-A157 WeakPolarHBondContact O-CA 3.45Å; I135-A157 HydrophobicContact CG1-CB 4.34Å; M152-A157 HydrophobicContact CB-CB 4.4Å; M152-A157 WeakPolarHBondContact O-CB 3.4Å; M152-A157 PolarHBondContact O-N 2.9Å; M152-A157 VanDerWaalsContact O-N 3.09Å |
| 158 | K | 98.5 | Very high | 94.2 | Very high | 116 Ų | 116 | 55.7 Ų | 55.7 | 50% | 0.504 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 124.4 | 167.7 | -172.1 | -174.5 | -171.9 | -169.6 | 0 | 108.8 | C133 T134 I135 E160 | C133-K158 PolarHBondContact O-N 3.32Å; T134-K158 CarbonylContact C-O 3.6Å; T134-K158 WeakPolarHBondContact CA-O 3.27Å; I135-K158 PolarHBondContact N-O 3.12Å; K158-E160 HydrophobicContact CD-CG 4.33Å; K158-E160 VanDerWaalsContact CE-CD 3.47Å; K158-E160 WeakPolarHBondContact CE-OE1 3.39Å; K158-E160 HydrophobicContact CG-CG 4.49Å; K158-E160 IonicContact NZ-OE1 2.75Å; K158-E160 PolarHBondContact NZ-OE1 3Å; K158-E160 IonicContact NZ-OE2 2.65Å |
| 159 | V | 98.2 | Very high | 93.8 | Very high | 28 Ų | 28 | 56.9 Ų | 56.9 | 17% | 0.17 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 120.2 | 172.8 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | I135 M137 V149 M152 E153 | I135-V159 CarbonylContact O-C 3.53Å; I135-V159 WeakPolarHBondContact O-CA 3.38Å; M137-V159 HydrophobicContact CB-CG1 4.23Å; V149-V159 HydrophobicContact CG1-CB 4.44Å; V149-V159 HydrophobicContact CG1-CG1 4.28Å; V149-V159 HydrophobicContact CG1-CG2 4.36Å; M152-V159 HydrophobicContact CB-CG2 3.77Å; M152-V159 HydrophobicContact CE-CG1 4.36Å; M152-V159 HydrophobicContact CE-CG2 3.93Å; M152-V159 HydrophobicContact SD-CG2 4.4Å; E153-V159 HydrophobicContact CG-CG2 4.13Å |
| 160 | E | 97.9 | Very high | 93.3 | Very high | 60 Ų | 60 | 58.2 Ų | 58.2 | 28% | 0.28 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 115.5 | 177.7 | -65 | -79 | -155.4 | 0 | 0 | 109 | T134 I135 F136 M137 K158 | T134-E160 HydrophobicContact CG2-CG 3.74Å; I135-E160 PolarHBondContact O-N 2.8Å; F136-E160 WeakPolarHBondContact CA-O 3.27Å; F136-E160 HydrophobicContact CD1-CB 3.68Å; F136-E160 HydrophobicContact CE1-CB 3.7Å; F136-E160 HydrophobicContact CE1-CG 4.12Å; F136-E160 HydrophobicContact CG-CB 4.36Å; F136-E160 HydrophobicContact CZ-CB 4.38Å; F136-E160 HydrophobicContact CZ-CG 4.37Å; M137-E160 PolarHBondContact N-O 3.24Å; K158-E160 HydrophobicContact CD-CG 4.33Å; K158-E160 VanDerWaalsContact CE-CD 3.47Å; K158-E160 WeakPolarHBondContact CE-OE1 3.39Å; K158-E160 HydrophobicContact CG-CG 4.49Å; K158-E160 IonicContact NZ-OE1 2.75Å; K158-E160 PolarHBondContact NZ-OE1 3Å; K158-E160 IonicContact NZ-OE2 2.65Å |
| 161 | S | 97.3 | Very high | 92.9 | Very high | 48 Ų | 48 | 52.7 Ų | 52.7 | 34% | 0.336 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 129.5 | 177.6 | -166.6 | 0 | 0 | 0 | 0 | 111.2 | M137 E139 | M137-S161 CarbonylContact O-C 3.55Å; M137-S161 WeakPolarHBondContact O-CA 3.46Å; E139-S161 VanDerWaalsContact CA-OG 3.3Å; E139-S161 WeakPolarHBondContact CA-OG 3.43Å; E139-S161 WeakPolarHBondContact CB-OG 3.42Å; E139-S161 WeakPolarHBondContact OE2-CB 3.47Å; E139-S161 PolarHBondContact OE2-OG 3.01Å |
| 162 | V | 95.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 113.3 | 178.8 | 180 | 0 | 0 | 0 | 0 | 109.7 | F136 M137 E139 S164 D171 E175 | F136-V162 HydrophobicContact CB-CG2 4.2Å; F136-V162 HydrophobicContact CD1-CG2 3.81Å; F136-V162 HydrophobicContact CG-CG2 4.5Å; M137-V162 PolarHBondContact O-N 2.99Å; E139-V162 PolarHBondContact N-O 2.74Å; V162-S164 WeakPolarHBondContact CG1-OG 3.22Å; V162-D171 HydrophobicContact CG1-CB 3.81Å; V162-E175 HydrophobicContact CB-CG 4.45Å; V162-E175 HydrophobicContact CG1-CG 3.74Å; V162-E175 HydrophobicContact CG2-CB 3.91Å; V162-E175 HydrophobicContact CG2-CG 3.83Å |
| 163 | T | 94.6 | Very high | 92.2 | Very high | 98 Ų | 98 | 50.1 Ų | 50.1 | 60% | 0.601 | 30% | 0.301 | S | S | * | . | trans | -104.1 | 11.3 | -178 | 67.7 | 0 | 0 | 0 | 0 | 112.9 | E139 | E139-T163 HydrophobicContact CB-CG2 4.19Å; E139-T163 HydrophobicContact CG-CG2 4.39Å | ||
| 164 | S | 88.8 | Confident | 91.7 | Very high | 50 Ų | 50 | 47.4 Ų | 47.4 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -96.7 | 151.6 | 177.9 | 60.4 | 0 | 0 | 0 | 0 | 110.9 | V162 E167 D171 | V162-S164 WeakPolarHBondContact CG1-OG 3.22Å; S164-E167 PolarHBondContact O-N 2.96Å; S164-D171 WeakPolarHBondContact O-CB 3.37Å |
| 165 | G | 87.7 | Confident | 91.5 | Very high | 67 Ų | 67 | 43.2 Ų | 43.2 | 69% | 0.691 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | -132.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | E167 | G165-E167 VanDerWaalsContact C-N 3.28Š|
| 166 | S | 81.5 | Confident | 91.3 | Very high | 30 Ų | 30 | 40.4 Ų | 40.4 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -1.6 | 176 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | T168 D171 E299 | S166-T168 VanDerWaalsContact C-N 3.29Å; S166-T168 PolarHBondContact O-N 3.31Å; S166-T168 PolarHBondContact OG-OG1 3.22Å; S166-D171 WeakPolarHBondContact CA-OD2 3.22Å; S166-D171 PolarHBondContact N-OD2 3.17Å; S166-D171 PolarHBondContact OG-OD2 3Å; S166-D171 VanDerWaalsContact OG-OD2 3.04Å; S166-E299 WeakPolarHBondContact CB-OE1 3.33Å |
| 167 | E | 88.7 | Confident | 91 | Very high | 58 Ų | 58 | 38.7 Ų | 38.7 | 27% | 0.271 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 61.7 | 36.4 | 178.4 | -50.6 | -176.8 | 169.8 | 0 | 0 | 112.6 | G138 E139 V140 S164 G165 D171 | G138-E167 CarbonylContact C-O 3.56Å; G138-E167 WeakPolarHBondContact CA-O 3.42Å; E139-E167 HydrophobicContact CB-CB 4.11Å; E139-E167 HydrophobicContact CB-CG 4.46Å; E139-E167 PolarHBondContact N-O 2.86Å; V140-E167 WeakPolarHBondContact CB-O 3.45Å; V140-E167 HydrophobicContact CG2-CB 3.95Å; V140-E167 PolarHBondContact N-O 3.46Å; S164-E167 PolarHBondContact O-N 2.96Å; G165-E167 VanDerWaalsContact C-N 3.28Å; E167-D171 PolarHBondContact N-OD2 3.08Å |
| 168 | T | 82.5 | Confident | 90.6 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 17% | 0.172 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -124.5 | -173.4 | -178.1 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | S166 K170 D171 A172 | S166-T168 VanDerWaalsContact C-N 3.29Å; S166-T168 PolarHBondContact O-N 3.31Å; S166-T168 PolarHBondContact OG-OG1 3.22Å; T168-K170 VanDerWaalsContact C-N 3.26Å; T168-K170 PolarHBondContact O-N 3.21Å; T168-D171 PolarHBondContact N-OD2 2.89Å; T168-D171 PolarHBondContact O-N 3.37Å; T168-A172 PolarHBondContact O-N 3.07Å |
| 169 | L | 83.6 | Confident | 90.4 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 14% | 0.136 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -47.4 | -42.5 | 178.2 | 177.4 | 59.8 | 0 | 0 | 0 | 113.9 | E112 D141 D171 A172 V173 Y309 | E112-L169 HydrophobicContact CG-CD1 3.78Å; D141-L169 PolarHBondContact OD2-N 2.89Å; L169-D171 VanDerWaalsContact C-N 3.3Å; L169-D171 PolarHBondContact O-N 3.1Å; L169-A172 PolarHBondContact O-N 3.01Å; L169-V173 HydrophobicContact CD1-CG2 4.26Å; L169-V173 HydrophobicContact CG-CG2 4.49Å; L169-V173 VanDerWaalsContact O-CG2 3.3Å; L169-V173 WeakPolarHBondContact O-CG2 3.39Å; L169-V173 PolarHBondContact O-N 2.83Å; L169-Y309 HydrophobicContact CD2-CD2 4.29Å |
| 170 | K | 84.3 | Confident | 90.2 | Very high | 44 Ų | 44 | 42.4 Ų | 42.4 | 19% | 0.191 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.5 | -44.7 | 179 | -178.1 | -160.3 | 67.9 | 177.6 | 0 | 111.4 | T168 V173 N174 | T168-K170 VanDerWaalsContact C-N 3.26Å; T168-K170 PolarHBondContact O-N 3.21Å; K170-V173 PolarHBondContact O-N 3.01Å; K170-N174 PolarHBondContact O-N 3.43Å; K170-N174 PolarHBondContact O-ND2 3.28Å |
| 171 | D | 86.6 | Confident | 89.9 | Confident | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -73.7 | -34.9 | -178.8 | -55.5 | -58.5 | 0 | 0 | 0 | 111.3 | V162 S164 S166 E167 T168 L169 V173 N174 E175 | V162-D171 HydrophobicContact CG1-CB 3.81Å; S164-D171 WeakPolarHBondContact O-CB 3.37Å; S166-D171 WeakPolarHBondContact CA-OD2 3.22Å; S166-D171 PolarHBondContact N-OD2 3.17Å; S166-D171 PolarHBondContact OG-OD2 3Å; S166-D171 VanDerWaalsContact OG-OD2 3.04Å; E167-D171 PolarHBondContact N-OD2 3.08Å; T168-D171 PolarHBondContact N-OD2 2.89Å; T168-D171 PolarHBondContact O-N 3.37Å; L169-D171 VanDerWaalsContact C-N 3.3Å; L169-D171 PolarHBondContact O-N 3.1Å; D171-V173 VanDerWaalsContact C-N 3.34Å; D171-V173 PolarHBondContact O-N 3.05Å; D171-N174 WeakPolarHBondContact O-CB 3.28Å; D171-N174 PolarHBondContact O-N 2.98Å; D171-E175 PolarHBondContact O-N 2.8Å |
| 172 | A | 90.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E112 F136 T168 L169 E175 A176 | E112-A172 HydrophobicContact CB-CB 4.2Å; F136-A172 HydrophobicContact CB-CB 4.3Å; T168-A172 PolarHBondContact O-N 3.07Å; L169-A172 PolarHBondContact O-N 3.01Å; A172-E175 PolarHBondContact O-N 3.13Å; A172-A176 VanDerWaalsContact O-CB 3.32Å; A172-A176 WeakPolarHBondContact O-CB 3.34Å; A172-A176 PolarHBondContact O-N 3.48Å |
| 173 | V | 89 | Confident | 89.7 | Confident | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60 | -46.2 | 173.1 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | E112 L169 K170 D171 E175 A176 L177 H283 | E112-V173 HydrophobicContact CB-CG2 4.35Å; E112-V173 HydrophobicContact CG-CG2 3.7Å; L169-V173 HydrophobicContact CD1-CG2 4.26Å; L169-V173 HydrophobicContact CG-CG2 4.49Å; L169-V173 VanDerWaalsContact O-CG2 3.3Å; L169-V173 WeakPolarHBondContact O-CG2 3.39Å; L169-V173 PolarHBondContact O-N 2.83Å; K170-V173 PolarHBondContact O-N 3.01Å; D171-V173 VanDerWaalsContact C-N 3.34Å; D171-V173 PolarHBondContact O-N 3.05Å; V173-E175 PolarHBondContact O-N 3Å; V173-A176 PolarHBondContact O-N 2.93Å; V173-L177 HydrophobicContact CG1-CD1 3.88Å; V173-L177 HydrophobicContact CG1-CG 4.32Å; V173-L177 WeakPolarHBondContact O-CB 3.48Å; V173-L177 WeakPolarHBondContact O-CG 3.49Å; V173-L177 PolarHBondContact O-N 3.27Å; V173-H283 HydrophobicContact CG1-CB 4.35Å |
| 174 | N | 87.4 | Confident | 89.6 | Confident | 51 Ų | 51 | 41.6 Ų | 41.6 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60 | -45.2 | -179.5 | -73.5 | -33.9 | 0 | 0 | 0 | 112 | K170 D171 R178 H283 | K170-N174 PolarHBondContact O-N 3.43Å; K170-N174 PolarHBondContact O-ND2 3.28Å; D171-N174 WeakPolarHBondContact O-CB 3.28Å; D171-N174 PolarHBondContact O-N 2.98Å; N174-R178 VanDerWaalsContact O-CG 3.3Å; N174-R178 WeakPolarHBondContact O-CG 3.47Å; N174-R178 PolarHBondContact O-N 3.39Å; N174-H283 PolarHBondContact OD1-NE2 3.49Å |
| 175 | E | 94 | Very high | 89.7 | Confident | 47 Ų | 47 | 47.5 Ų | 47.5 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.7 | -40.3 | 177.9 | -69.7 | -53.4 | 127 | 0 | 0 | 112.5 | F136 V162 D171 A172 V173 L177 R178 Y179 | F136-E175 HydrophobicContact CD1-CB 3.67Å; F136-E175 HydrophobicContact CE1-CB 3.95Å; F136-E175 HydrophobicContact CG-CB 4.19Å; V162-E175 HydrophobicContact CB-CG 4.45Å; V162-E175 HydrophobicContact CG1-CG 3.74Å; V162-E175 HydrophobicContact CG2-CB 3.91Å; V162-E175 HydrophobicContact CG2-CG 3.83Å; D171-E175 PolarHBondContact O-N 2.8Å; A172-E175 PolarHBondContact O-N 3.13Å; V173-E175 PolarHBondContact O-N 3Å; E175-L177 VanDerWaalsContact C-N 3.34Å; E175-L177 PolarHBondContact O-N 2.99Å; E175-R178 PolarHBondContact O-N 3.18Å; E175-R178 IonicContact OE1-CZ 2.65Å; E175-R178 IonicContact OE1-NE 2.64Å; E175-R178 IonicContact OE1-NH1 3.9Å; E175-R178 PolarHBondContact OE1-NH1 3.43Å; E175-Y179 WeakPolarHBondContact O-CB 3.46Å; E175-Y179 PolarHBondContact O-N 3.04Å |
| 176 | A | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | V110 E112 F136 A172 V173 Y179 W180 Y189 | V110-A176 HydrophobicContact CG2-CB 4.39Å; E112-A176 HydrophobicContact CB-CB 4.16Å; F136-A176 HydrophobicContact CB-CB 4.36Å; F136-A176 HydrophobicContact CD2-CB 3.87Å; F136-A176 HydrophobicContact CG-CB 4.37Å; A172-A176 VanDerWaalsContact O-CB 3.32Å; A172-A176 WeakPolarHBondContact O-CB 3.34Å; A172-A176 PolarHBondContact O-N 3.48Å; V173-A176 PolarHBondContact O-N 2.93Å; A176-Y179 PolarHBondContact O-N 3.04Å; A176-W180 WeakPolarHBondContact O-CB 3.3Å; A176-W180 PolarHBondContact O-N 3.27Å; A176-Y189 HydrophobicContact CB-CD2 4.44Å; A176-Y189 HydrophobicContact CB-CE2 3.84Å |
| 177 | L | 90.6 | Very high | 90.9 | Very high | 31 Ų | 31 | 44.5 Ų | 44.5 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 175.1 | -73.5 | 173.7 | 0 | 0 | 0 | 111.7 | V173 E175 Y179 W180 V181 Y189 | V173-L177 HydrophobicContact CG1-CD1 3.88Å; V173-L177 HydrophobicContact CG1-CG 4.32Å; V173-L177 WeakPolarHBondContact O-CB 3.48Å; V173-L177 WeakPolarHBondContact O-CG 3.49Å; V173-L177 PolarHBondContact O-N 3.27Å; E175-L177 VanDerWaalsContact C-N 3.34Å; E175-L177 PolarHBondContact O-N 2.99Å; L177-Y179 PolarHBondContact O-N 3.46Å; L177-W180 HydrophobicContact CD2-CE3 4.25Å; L177-W180 PolarHBondContact O-N 3.04Å; L177-V181 VanDerWaalsContact O-CG2 3.23Å; L177-V181 WeakPolarHBondContact O-CG2 3.44Å; L177-V181 PolarHBondContact O-N 3.17Å; L177-Y189 HydrophobicContact CD2-CD1 3.99Å; L177-Y189 HydrophobicContact CD2-CE1 3.63Å; L177-Y189 HydrophobicContact CG-CE1 4.39Å |
| 178 | R | 91 | Very high | 91.4 | Very high | 158 Ų | 158 | 42 Ų | 42 | 60% | 0.596 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -60.4 | -44.9 | 176 | -74.5 | 170.9 | -176 | 175 | 1.5 | 111.9 | N174 E175 W180 V181 A182 | N174-R178 VanDerWaalsContact O-CG 3.3Å; N174-R178 WeakPolarHBondContact O-CG 3.47Å; N174-R178 PolarHBondContact O-N 3.39Å; E175-R178 PolarHBondContact O-N 3.18Å; E175-R178 IonicContact OE1-CZ 2.65Å; E175-R178 IonicContact OE1-NE 2.64Å; E175-R178 IonicContact OE1-NH1 3.9Å; E175-R178 PolarHBondContact OE1-NH1 3.43Å; R178-W180 VanDerWaalsContact C-N 3.32Å; R178-W180 PolarHBondContact O-N 3.29Å; R178-V181 PolarHBondContact O-N 2.92Å; R178-A182 PolarHBondContact O-N 3.4Å |
| 179 | Y | 94.8 | Very high | 92.1 | Very high | 67 Ų | 67 | 40.7 Ų | 40.7 | 26% | 0.263 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 176.2 | -175.7 | -86.6 | 0 | 0 | 0 | 111.2 | V110 F136 E175 A176 L177 A182 T183 T187 | V110-Y179 HydrophobicContact CB-CD1 3.91Å; V110-Y179 HydrophobicContact CB-CE1 4.2Å; V110-Y179 HydrophobicContact CG1-CD1 4.13Å; V110-Y179 HydrophobicContact CG2-CD1 3.72Å; V110-Y179 HydrophobicContact CG2-CE1 4.3Å; V110-Y179 HydrophobicContact CG2-CG 4.32Å; F136-Y179 HydrophobicContact CE2-CD1 4.35Å; F136-Y179 HydrophobicContact CE2-CD2 4.03Å; F136-Y179 AromaticContact CE2-CG 3.73Å; F136-Y179 HydrophobicContact CE2-CG 3.73Å; F136-Y179 AromaticContact CZ-CD2 3.78Å; F136-Y179 HydrophobicContact CZ-CD2 3.78Å; F136-Y179 AromaticContact CZ-CG 3.91Å; F136-Y179 HydrophobicContact CZ-CG 3.91Å; E175-Y179 WeakPolarHBondContact O-CB 3.46Å; E175-Y179 PolarHBondContact O-N 3.04Å; A176-Y179 PolarHBondContact O-N 3.04Å; L177-Y179 PolarHBondContact O-N 3.46Å; Y179-A182 PolarHBondContact O-N 3.07Å; Y179-T183 HydrophobicContact CD1-CG2 4.34Å; Y179-T183 WeakPolarHBondContact CD1-OG1 3.34Å; Y179-T183 HydrophobicContact CE1-CG2 3.95Å; Y179-T183 WeakPolarHBondContact CE1-OG1 3.36Å; Y179-T183 HydrophobicContact CE2-CG2 4.4Å; Y179-T183 PolarHBondContact O-N 2.97Å; Y179-T183 VanDerWaalsContact O-N 3.14Å; Y179-T183 PolarHBondContact O-OG1 3.31Å; Y179-T187 HydrophobicContact CE1-CG2 4.15Å |
| 180 | W | 94.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 179.4 | -176.4 | 39.9 | 0 | 0 | 0 | 112.3 | L23 A26 I27 V110 A176 L177 R178 A182 T183 V184 T187 Y189 F200 | L23-W180 HydrophobicContact CD1-CE3 4.39Å; L23-W180 HydrophobicContact CD1-CZ3 4.33Å; L23-W180 HydrophobicContact CD2-CD2 4.14Å; L23-W180 HydrophobicContact CD2-CE3 3.79Å; L23-W180 HydrophobicContact CD2-CZ3 4Å; A26-W180 HydrophobicContact CB-CH2 4.1Å; A26-W180 HydrophobicContact CB-CZ2 3.56Å; I27-W180 HydrophobicContact CG1-CH2 4.02Å; V110-W180 HydrophobicContact CG1-CB 4.09Å; A176-W180 WeakPolarHBondContact O-CB 3.3Å; A176-W180 PolarHBondContact O-N 3.27Å; L177-W180 HydrophobicContact CD2-CE3 4.25Å; L177-W180 PolarHBondContact O-N 3.04Å; R178-W180 VanDerWaalsContact C-N 3.32Å; R178-W180 PolarHBondContact O-N 3.29Å; W180-A182 PolarHBondContact O-N 2.87Å; W180-T183 CarbonylContact O-C 3.4Å; W180-T183 PolarHBondContact O-N 3.02Å; W180-T183 VanDerWaalsContact O-N 3.09Å; W180-V184 WeakPolarHBondContact O-CA 3.25Å; W180-V184 PolarHBondContact O-N 3.06Å; W180-T187 PolarHBondContact NE1-O 2.84Å; W180-Y189 VanDerWaalsContact CD2-CB 3.42Å; W180-Y189 HydrophobicContact CD2-CD1 4.5Å; W180-Y189 HydrophobicContact CD2-CG 4.31Å; W180-Y189 AromaticContact CE3-CD1 3.96Å; W180-Y189 HydrophobicContact CE3-CD1 3.96Å; W180-Y189 HydrophobicContact CE3-CG 4.23Å; W180-Y189 HydrophobicContact CZ3-CD1 4.24Å; W180-F200 AromaticContact CH2-CE2 3.8Å; W180-F200 HydrophobicContact CH2-CE2 3.8Å; W180-F200 AromaticContact CH2-CZ 3.86Å; W180-F200 HydrophobicContact CH2-CZ 3.86Å; W180-F200 HydrophobicContact CZ2-CZ 4.43Å; W180-F200 AromaticContact CZ3-CE2 3.95Å; W180-F200 HydrophobicContact CZ3-CE2 3.95Å; W180-F200 HydrophobicContact CZ3-CZ 4.2Å |
| 181 | V | 90.9 | Very high | 93.4 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 32% | 0.315 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -54 | -42.6 | 174.1 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | L23 L177 R178 T183 | L23-V181 HydrophobicContact CD1-CG2 3.74Å; L23-V181 HydrophobicContact CD2-CB 4.2Å; L23-V181 HydrophobicContact CD2-CG2 3.5Å; L23-V181 VanDerWaalsContact CD2-CG2 3.5Å; L23-V181 HydrophobicContact CG-CG2 3.61Å; L177-V181 VanDerWaalsContact O-CG2 3.23Å; L177-V181 WeakPolarHBondContact O-CG2 3.44Å; L177-V181 PolarHBondContact O-N 3.17Å; R178-V181 PolarHBondContact O-N 2.92Å; V181-T183 VanDerWaalsContact C-N 3.33Å; V181-T183 PolarHBondContact O-N 3.33Å |
| 182 | A | 93.1 | Very high | 93.8 | Very high | 85 Ų | 85 | 37.5 Ų | 37.5 | 70% | 0.702 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -76.2 | -16.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R178 Y179 W180 | R178-A182 PolarHBondContact O-N 3.4Å; Y179-A182 PolarHBondContact O-N 3.07Å; W180-A182 PolarHBondContact O-N 2.87Å |
| 183 | T | 94.8 | Very high | 94.1 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 18% | 0.178 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -129 | 15.8 | -170.2 | 58.6 | 0 | 0 | 0 | 0 | 113.6 | Y179 W180 V181 E185 D186 T187 | Y179-T183 HydrophobicContact CD1-CG2 4.34Å; Y179-T183 WeakPolarHBondContact CD1-OG1 3.34Å; Y179-T183 HydrophobicContact CE1-CG2 3.95Å; Y179-T183 WeakPolarHBondContact CE1-OG1 3.36Å; Y179-T183 HydrophobicContact CE2-CG2 4.4Å; Y179-T183 PolarHBondContact O-N 2.97Å; Y179-T183 VanDerWaalsContact O-N 3.14Å; Y179-T183 PolarHBondContact O-OG1 3.31Å; W180-T183 CarbonylContact O-C 3.4Å; W180-T183 PolarHBondContact O-N 3.02Å; W180-T183 VanDerWaalsContact O-N 3.09Å; V181-T183 VanDerWaalsContact C-N 3.33Å; V181-T183 PolarHBondContact O-N 3.33Å; T183-E185 PolarHBondContact O-N 3.47Å; T183-D186 PolarHBondContact O-N 3.4Å; T183-T187 VanDerWaalsContact O-CB 3.25Å; T183-T187 WeakPolarHBondContact O-CB 3.44Å; T183-T187 PolarHBondContact O-N 3.09Å; T183-T187 PolarHBondContact O-OG1 3.27Å; T183-T187 WeakPolarHBondContact OG1-CB 3.28Å; T183-T187 PolarHBondContact OG1-OG1 3.45Å |
| 184 | V | 92.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 37.5 Ų | 37.5 | 17% | 0.17 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -28.2 | -168.6 | 73.2 | 0 | 0 | 0 | 0 | 115.5 | A26 K106 W180 | A26-V184 HydrophobicContact CB-CG2 3.14Å; K106-V184 PolarHBondContact NZ-O 3.36Å; W180-V184 WeakPolarHBondContact O-CA 3.25Å; W180-V184 PolarHBondContact O-N 3.06Å |
| 185 | E | 92.4 | Very high | 94.9 | Very high | 173 Ų | 173 | 35.8 Ų | 35.8 | 81% | 0.808 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -44.8 | -178.2 | -65.9 | -174.8 | 173.7 | 0 | 0 | 112.2 | K106 T183 | K106-E185 WeakPolarHBondContact CD-O 3.49Å; K106-E185 PolarHBondContact NZ-O 2.62Å; T183-E185 PolarHBondContact O-N 3.47Å |
| 186 | D | 96.3 | Very high | 94.9 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 18% | 0.176 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -5.9 | -174.2 | 75.8 | -10.3 | 0 | 0 | 0 | 114.7 | R107 K108 T183 | R107-D186 IonicContact CZ-OD2 3.42Å; R107-D186 PolarHBondContact N-O 2.96Å; R107-D186 IonicContact NH2-OD2 3.8Å; R107-D186 PolarHBondContact NH2-OD2 3.19Å; K108-D186 WeakPolarHBondContact CE-OD2 3.22Å; K108-D186 PolarHBondContact N-O 3.14Å; K108-D186 VanDerWaalsContact N-O 3.1Å; K108-D186 IonicContact NZ-OD1 3.31Å; K108-D186 IonicContact NZ-OD2 3.37Å; K108-D186 PolarHBondContact NZ-OD2 3.46Å; T183-D186 PolarHBondContact O-N 3.4Å |
| 187 | T | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133 | -173.4 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | K108 V110 Y179 W180 T183 | K108-T187 HydrophobicContact CB-CG2 4.15Å; K108-T187 WeakPolarHBondContact O-CA 3.48Å; V110-T187 HydrophobicContact CB-CG2 4.02Å; V110-T187 HydrophobicContact CG1-CG2 3.76Å; Y179-T187 HydrophobicContact CE1-CG2 4.15Å; W180-T187 PolarHBondContact NE1-O 2.84Å; T183-T187 VanDerWaalsContact O-CB 3.25Å; T183-T187 WeakPolarHBondContact O-CB 3.44Å; T183-T187 PolarHBondContact O-N 3.09Å; T183-T187 PolarHBondContact O-OG1 3.27Å; T183-T187 WeakPolarHBondContact OG1-CB 3.28Å; T183-T187 PolarHBondContact OG1-OG1 3.45Å |
| 188 | H | 97.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.023 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 136.4 | 169.2 | -178.8 | 56.2 | 0 | 0 | 0 | 111.5 | A101 M104 K106 K108 V109 V110 | A101-H188 HydrophobicContact CB-CB 3.6Å; M104-H188 HydrophobicContact CE-CB 4.44Å; K106-H188 HydrophobicContact CB-CB 4.32Å; K106-H188 HydrophobicContact CG-CB 4.16Å; K108-H188 PolarHBondContact O-N 2.84Å; V109-H188 CarbonylContact C-O 3.49Å; V109-H188 VanDerWaalsContact CA-O 3.26Å; V109-H188 WeakPolarHBondContact CA-O 3.29Å; V110-H188 PolarHBondContact N-O 2.74Å |
| 189 | Y | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.3 | 170.1 | 176.3 | -135.3 | 0 | 0 | 0 | 110.9 | V110 E112 A176 L177 W180 M191 F200 | V110-Y189 HydrophobicContact CG1-CD2 4.05Å; V110-Y189 CarbonylContact O-C 3.53Å; V110-Y189 WeakPolarHBondContact O-CA 3.48Å; V110-Y189 WeakPolarHBondContact O-CD2 3.33Å; E112-Y189 VanDerWaalsContact CD-OH 3.3Å; E112-Y189 VanDerWaalsContact OE2-CE2 3.23Å; E112-Y189 WeakPolarHBondContact OE2-CE2 3.37Å; E112-Y189 PolarHBondContact OE2-OH 2.94Å; A176-Y189 HydrophobicContact CB-CD2 4.44Å; A176-Y189 HydrophobicContact CB-CE2 3.84Å; L177-Y189 HydrophobicContact CD2-CD1 3.99Å; L177-Y189 HydrophobicContact CD2-CE1 3.63Å; L177-Y189 HydrophobicContact CG-CE1 4.39Å; W180-Y189 VanDerWaalsContact CD2-CB 3.42Å; W180-Y189 HydrophobicContact CD2-CD1 4.5Å; W180-Y189 HydrophobicContact CD2-CG 4.31Å; W180-Y189 AromaticContact CE3-CD1 3.96Å; W180-Y189 HydrophobicContact CE3-CD1 3.96Å; W180-Y189 HydrophobicContact CE3-CG 4.23Å; W180-Y189 HydrophobicContact CZ3-CD1 4.24Å; Y189-M191 HydrophobicContact CD1-CE 4.1Å; Y189-M191 HydrophobicContact CE1-CE 3.36Å; Y189-M191 HydrophobicContact CE1-SD 3.9Å; Y189-M191 PolarHBondContact O-N 2.89Å; Y189-F200 HydrophobicContact CD1-CE2 4.29Å; Y189-F200 AromaticContact CD1-CZ 3.95Å; Y189-F200 HydrophobicContact CD1-CZ 3.95Å; Y189-F200 VanDerWaalsContact O-CE1 3.28Å; Y189-F200 WeakPolarHBondContact O-CE1 3.2Å |
| 190 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -93.2 | 95 | 179.7 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | Q97 V98 V109 V110 A111 H118 T122 G192 | Q97-V190 HydrophobicContact CB-CG1 3.92Å; Q97-V190 HydrophobicContact CB-CG2 4.49Å; V98-V190 HydrophobicContact CG2-CG2 4.05Å; V109-V190 HydrophobicContact CB-CG2 3.87Å; V109-V190 HydrophobicContact CG1-CG2 4.04Å; V110-V190 PolarHBondContact O-N 3.34Å; A111-V190 HydrophobicContact CB-CB 4.32Å; H118-V190 PolarHBondContact NE2-O 3.32Å; T122-V190 HydrophobicContact CG2-CB 3.97Å; T122-V190 HydrophobicContact CG2-CG1 4.12Å; T122-V190 HydrophobicContact CG2-CG2 4.02Å; V190-G192 PolarHBondContact O-N 3.05Å | ||
| 191 | M | 96.5 | Very high | 96.1 | Very high | 10 Ų | 10 | 21.8 Ų | 21.8 | 5% | 0.049 | 13% | 0.127 | C | C | . | . | trans | -65.2 | 130.6 | -178 | -175.8 | 70.7 | 68.4 | 0 | 0 | 111.8 | N93 Q97 Y189 S193 L195 F200 V204 | N93-M191 PolarHBondContact ND2-O 3.28Å; Q97-M191 PolarHBondContact NE2-O 3.34Å; Y189-M191 HydrophobicContact CD1-CE 4.1Å; Y189-M191 HydrophobicContact CE1-CE 3.36Å; Y189-M191 HydrophobicContact CE1-SD 3.9Å; Y189-M191 PolarHBondContact O-N 2.89Å; M191-S193 VanDerWaalsContact CG-O 3.24Å; M191-S193 WeakPolarHBondContact CG-O 3.49Å; M191-L195 HydrophobicContact SD-CB 4.49Å; M191-F200 HydrophobicContact CB-CB 4.11Å; M191-F200 HydrophobicContact CB-CD1 3.36Å; M191-F200 HydrophobicContact CB-CE1 3.86Å; M191-F200 HydrophobicContact CB-CG 3.84Å; M191-F200 HydrophobicContact CE-CB 4.06Å; M191-F200 HydrophobicContact CE-CD1 4.36Å; M191-F200 HydrophobicContact CE-CD2 3.75Å; M191-F200 HydrophobicContact CE-CE2 4.22Å; M191-F200 HydrophobicContact CE-CG 3.81Å; M191-F200 HydrophobicContact CG-CB 4.06Å; M191-F200 HydrophobicContact CG-CD1 4.23Å; M191-F200 HydrophobicContact CG-CG 4.24Å; M191-V204 HydrophobicContact CB-CG2 4.33Å; M191-V204 HydrophobicContact CG-CG2 4.41Å | ||
| 192 | G | 96 | Very high | 96.4 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | trans | -81.9 | -10.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | K90 E112 H118 V190 | K90-G192 PolarHBondContact NZ-O 3.46Å; E112-G192 PolarHBondContact OE1-N 2.94Å; H118-G192 WeakPolarHBondContact CD2-CA 3.31Å; H118-G192 VanDerWaalsContact CE1-CA 3.43Å; H118-G192 WeakPolarHBondContact CE1-CA 3.44Å; H118-G192 WeakPolarHBondContact NE2-CA 3.49Å; H118-G192 PolarHBondContact NE2-N 2.95Å; V190-G192 PolarHBondContact O-N 3.05Å | ||
| 193 | S | 96.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 16.2 Ų | 16.2 | 6% | 0.056 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -151.2 | 178.1 | -179.4 | -158.9 | 0 | 0 | 0 | 0 | 112.6 | M191 L195 V204 G236 G237 S238 | M191-S193 VanDerWaalsContact CG-O 3.24Å; M191-S193 WeakPolarHBondContact CG-O 3.49Å; S193-L195 PolarHBondContact O-N 3.43Å; S193-V204 WeakPolarHBondContact O-CG2 3.19Å; S193-G236 WeakPolarHBondContact OG-CA 3.3Å; S193-G236 PolarHBondContact OG-O 3.07Å; S193-G237 PolarHBondContact OG-N 3.31Å; S193-S238 WeakPolarHBondContact OG-CB 3.19Å; S193-S238 PolarHBondContact OG-N 2.56Å; S193-S238 VanDerWaalsContact OG-N 3.12Å; S193-S238 PolarHBondContact OG-OG 3.24Å |
| 194 | V | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -72.5 | 47.2 | 172.9 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | V204 R205 G236 G237 M241 G313 P314 | V194-V204 HydrophobicContact CG1-CB 3.89Å; V194-V204 HydrophobicContact CG1-CG1 3.86Å; V194-R205 HydrophobicContact CG1-CB 4.05Å; V194-G236 WeakPolarHBondContact CG2-O 3.4Å; V194-G237 VanDerWaalsContact CG2-C 3.48Å; V194-M241 HydrophobicContact CG1-CB 4.23Å; V194-M241 HydrophobicContact CG2-CB 4.35Å; V194-G313 WeakPolarHBondContact O-CA 3.32Å; V194-P314 WeakPolarHBondContact O-CD 3.48Å |
| 195 | L | 95.9 | Very high | 97.1 | Very high | 16 Ų | 16 | 13.7 Ų | 13.7 | 8% | 0.084 | 7% | 0.068 | C | C | . | . | trans | -118.5 | 177.5 | -179.1 | -72.6 | 168.3 | 0 | 0 | 0 | 109.2 | M191 S193 F200 P201 M287 Y309 | M191-L195 HydrophobicContact SD-CB 4.49Å; S193-L195 PolarHBondContact O-N 3.43Å; L195-F200 WeakPolarHBondContact O-CB 3.32Å; L195-P201 WeakPolarHBondContact O-CD 3.15Å; L195-M287 HydrophobicContact CD2-CE 4.28Å; L195-M287 HydrophobicContact CD2-SD 3.65Å; L195-Y309 HydrophobicContact CD1-CD1 3.82Å; L195-Y309 HydrophobicContact CD1-CE1 3.33Å; L195-Y309 HydrophobicContact CD1-CE2 4.38Å; L195-Y309 HydrophobicContact CD2-CE1 3.68Å; L195-Y309 HydrophobicContact CG-CE1 4.17Å | ||
| 196 | G | 94.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.01 | 4% | 0.037 | C | C | . | . | S | Bend | trans | 85.3 | 177.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | P201 H283 A285 | G196-P201 WeakPolarHBondContact O-CD 3.42Å; G196-P201 VanDerWaalsContact O-CG 3.27Å; G196-P201 WeakPolarHBondContact O-CG 3.49Å; G196-H283 WeakPolarHBondContact CA-O 3.44Å; G196-A285 WeakPolarHBondContact O-CB 3.44Å |
| 197 | P | 96.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 6.2 Ų | 6.2 | 1% | 0.013 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -65.1 | 152.1 | 178.4 | 31.8 | -37.2 | 0 | 0 | 0 | 110.5 | G16 K17 V19 I27 F200 P201 G284 | G16-P197 WeakPolarHBondContact O-CA 3.4Å; K17-P197 HydrophobicContact CB-CB 4.46Å; K17-P197 HydrophobicContact CG-CB 4.48Å; V19-P197 HydrophobicContact CG1-CB 3.82Å; V19-P197 HydrophobicContact CG1-CG 3.72Å; I27-P197 HydrophobicContact CD1-CB 4.19Å; I27-P197 HydrophobicContact CD1-CG 3.87Å; P197-F200 HydrophobicContact CG-CD2 4.06Å; P197-F200 HydrophobicContact CG-CE2 4.42Å; P197-F200 WeakPolarHBondContact O-CB 3.22Å; P197-F200 WeakPolarHBondContact O-CD2 3.37Å; P197-F200 PolarHBondContact O-N 2.9Å; P197-P201 WeakPolarHBondContact O-CD 3.34Å; P197-G284 WeakPolarHBondContact CA-O 3.47Å |
| 198 | H | 98.1 | Very high | 97.6 | Very high | 8 Ų | 8 | 6.2 Ų | 6.2 | 4% | 0.037 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 135.2 | 165.2 | -176.3 | 81.7 | 0 | 0 | 0 | 110.3 | G9 G16 K17 I27 E31 E202 | G9-H198 WeakPolarHBondContact CA-ND1 2.95Å; G16-H198 PolarHBondContact O-N 3.09Å; K17-H198 VanDerWaalsContact CE-CD2 3.46Å; K17-H198 WeakPolarHBondContact CE-CD2 3.48Å; K17-H198 VanDerWaalsContact CE-O 3.31Å; K17-H198 WeakPolarHBondContact CE-O 3.46Å; K17-H198 HydrophobicContact CG-CB 3.96Å; I27-H198 WeakPolarHBondContact CG2-O 3.4Å; E31-H198 IonicContact OE1-CD2 2.8Å; E31-H198 PolarHBondContact OE1-CD2 3.37Å; E31-H198 IonicContact OE1-NE2 3.64Å; E31-H198 PolarHBondContact OE1-NE2 2.93Å; E31-H198 IonicContact OE2-CD2 3.54Å; E31-H198 IonicContact OE2-NE2 3.29Å; H198-E202 IonicContact CE1-OE2 3.73Å; H198-E202 PolarHBondContact CE1-OE2 2.98Å |
| 199 | P | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -95.2 | 7.9 | 12.1 | 39.1 | -40.1 | 0 | 0 | 0 | 116.1 | L30 E31 E202 I203 | L30-P199 HydrophobicContact CB-CG 4.46Å; L30-P199 HydrophobicContact CD2-CG 3.91Å; L30-P199 HydrophobicContact CG-CG 3.84Å; E31-P199 HydrophobicContact CB-CB 4.32Å; E31-P199 HydrophobicContact CB-CG 3.94Å; E31-P199 HydrophobicContact CG-CB 4.45Å; P199-E202 PolarHBondContact O-N 3.46Å; P199-E202 VanDerWaalsContact O-N 3.14Å; P199-I203 HydrophobicContact CB-CD1 3.98Å; P199-I203 HydrophobicContact CB-CG1 4.2Å; P199-I203 HydrophobicContact CG-CD1 3.65Å; P199-I203 HydrophobicContact CG-CG1 4.42Å; P199-I203 WeakPolarHBondContact O-CG1 3.43Å; P199-I203 PolarHBondContact O-N 3.38Å |
| 200 | F | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -56.6 | -46.2 | -172.1 | -73.1 | -70.2 | 0 | 0 | 0 | 114.5 | L30 W180 Y189 M191 L195 P197 E202 I203 V204 | L30-F200 HydrophobicContact CD2-CD1 4.12Å; L30-F200 HydrophobicContact CD2-CE1 3.62Å; L30-F200 HydrophobicContact CD2-CE2 4.1Å; L30-F200 HydrophobicContact CD2-CZ 3.61Å; W180-F200 AromaticContact CH2-CE2 3.8Å; W180-F200 HydrophobicContact CH2-CE2 3.8Å; W180-F200 AromaticContact CH2-CZ 3.86Å; W180-F200 HydrophobicContact CH2-CZ 3.86Å; W180-F200 HydrophobicContact CZ2-CZ 4.43Å; W180-F200 AromaticContact CZ3-CE2 3.95Å; W180-F200 HydrophobicContact CZ3-CE2 3.95Å; W180-F200 HydrophobicContact CZ3-CZ 4.2Å; Y189-F200 HydrophobicContact CD1-CE2 4.29Å; Y189-F200 AromaticContact CD1-CZ 3.95Å; Y189-F200 HydrophobicContact CD1-CZ 3.95Å; Y189-F200 VanDerWaalsContact O-CE1 3.28Å; Y189-F200 WeakPolarHBondContact O-CE1 3.2Å; M191-F200 HydrophobicContact CB-CB 4.11Å; M191-F200 HydrophobicContact CB-CD1 3.36Å; M191-F200 HydrophobicContact CB-CE1 3.86Å; M191-F200 HydrophobicContact CB-CG 3.84Å; M191-F200 HydrophobicContact CE-CB 4.06Å; M191-F200 HydrophobicContact CE-CD1 4.36Å; M191-F200 HydrophobicContact CE-CD2 3.75Å; M191-F200 HydrophobicContact CE-CE2 4.22Å; M191-F200 HydrophobicContact CE-CG 3.81Å; M191-F200 HydrophobicContact CG-CB 4.06Å; M191-F200 HydrophobicContact CG-CD1 4.23Å; M191-F200 HydrophobicContact CG-CG 4.24Å; L195-F200 WeakPolarHBondContact O-CB 3.32Å; P197-F200 HydrophobicContact CG-CD2 4.06Å; P197-F200 HydrophobicContact CG-CE2 4.42Å; P197-F200 WeakPolarHBondContact O-CB 3.22Å; P197-F200 WeakPolarHBondContact O-CD2 3.37Å; P197-F200 PolarHBondContact O-N 2.9Å; F200-E202 VanDerWaalsContact C-N 3.29Å; F200-E202 PolarHBondContact O-N 2.84Å; F200-I203 PolarHBondContact O-N 3.37Å; F200-V204 VanDerWaalsContact O-CG2 3.27Å; F200-V204 WeakPolarHBondContact O-CG2 3.16Å; F200-V204 PolarHBondContact O-N 2.84Å |
| 201 | P | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 8 Ų | 8 | 1% | 0.013 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -56.6 | -42.3 | 177.4 | -27.2 | 35.6 | 0 | 0 | 0 | 113.3 | Y11 L195 G196 P197 R205 P314 | Y11-P201 HydrophobicContact CE2-CB 4.13Å; L195-P201 WeakPolarHBondContact O-CD 3.15Å; G196-P201 WeakPolarHBondContact O-CD 3.42Å; G196-P201 VanDerWaalsContact O-CG 3.27Å; G196-P201 WeakPolarHBondContact O-CG 3.49Å; P197-P201 WeakPolarHBondContact O-CD 3.34Å; P201-R205 VanDerWaalsContact O-CB 3.3Å; P201-R205 WeakPolarHBondContact O-CB 3.49Å; P201-R205 PolarHBondContact O-N 2.86Å; P201-P314 HydrophobicContact CB-CG 4.02Å; P201-P314 HydrophobicContact CG-CG 3.79Å |
| 202 | E | 98.3 | Very high | 97.8 | Very high | 21 Ų | 21 | 7.5 Ų | 7.5 | 10% | 0.098 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67.2 | -47.3 | 178.4 | -170.3 | -176.6 | 168.4 | 0 | 0 | 111.2 | P5 Y11 Y34 K38 H198 P199 F200 V204 R205 D206 | P5-E202 HydrophobicContact CG-CB 4.37Å; Y11-E202 PolarHBondContact OH-N 3.22Å; Y34-E202 HydrophobicContact CE1-CG 4.21Å; K38-E202 IonicContact NZ-OE1 2.77Å; K38-E202 PolarHBondContact NZ-OE1 3.27Å; H198-E202 IonicContact CE1-OE2 3.73Å; H198-E202 PolarHBondContact CE1-OE2 2.98Å; P199-E202 PolarHBondContact O-N 3.46Å; P199-E202 VanDerWaalsContact O-N 3.14Å; F200-E202 VanDerWaalsContact C-N 3.29Å; F200-E202 PolarHBondContact O-N 2.84Å; E202-V204 PolarHBondContact O-N 3.32Å; E202-R205 PolarHBondContact O-N 3.46Å; E202-R205 IonicContact OE1-NH2 3.56Å; E202-D206 WeakPolarHBondContact O-CB 3.2Å; E202-D206 PolarHBondContact O-N 2.99Å |
| 203 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -57.2 | -50.9 | 178.7 | -70.1 | 176.5 | 0 | 0 | 0 | 110.8 | L30 Y34 Q97 L100 P199 F200 R205 D206 Y207 | L30-I203 HydrophobicContact CD1-CD1 3.8Å; L30-I203 HydrophobicContact CD2-CD1 3.97Å; L30-I203 HydrophobicContact CG-CD1 3.76Å; Y34-I203 HydrophobicContact CD1-CD1 4.19Å; Y34-I203 HydrophobicContact CD1-CG1 3.59Å; Y34-I203 HydrophobicContact CD2-CD1 4.17Å; Y34-I203 HydrophobicContact CD2-CG1 3.66Å; Y34-I203 HydrophobicContact CE1-CG1 3.75Å; Y34-I203 HydrophobicContact CE2-CB 4.4Å; Y34-I203 HydrophobicContact CE2-CG1 3.81Å; Y34-I203 HydrophobicContact CG-CD1 3.84Å; Y34-I203 HydrophobicContact CG-CG1 3.53Å; Q97-I203 HydrophobicContact CG-CG2 3.8Å; L100-I203 HydrophobicContact CD1-CD1 4.33Å; L100-I203 HydrophobicContact CD1-CG2 4.25Å; P199-I203 HydrophobicContact CB-CD1 3.98Å; P199-I203 HydrophobicContact CB-CG1 4.2Å; P199-I203 HydrophobicContact CG-CD1 3.65Å; P199-I203 HydrophobicContact CG-CG1 4.42Å; P199-I203 WeakPolarHBondContact O-CG1 3.43Å; P199-I203 PolarHBondContact O-N 3.38Å; F200-I203 PolarHBondContact O-N 3.37Å; I203-R205 VanDerWaalsContact C-N 3.34Å; I203-R205 PolarHBondContact O-N 2.91Å; I203-D206 PolarHBondContact O-N 3.5Å; I203-Y207 HydrophobicContact CG2-CD2 3.65Å; I203-Y207 HydrophobicContact CG2-CE2 3.46Å; I203-Y207 VanDerWaalsContact CG2-CE2 3.46Å; I203-Y207 WeakPolarHBondContact O-CD2 3.42Å; I203-Y207 PolarHBondContact O-N 3.43Å |
| 204 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.6 | -40.4 | -176.5 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | N93 M191 S193 V194 F200 E202 Q208 | N93-V204 HydrophobicContact CB-CG1 4.3Å; N93-V204 WeakPolarHBondContact OD1-CG2 3.36Å; M191-V204 HydrophobicContact CB-CG2 4.33Å; M191-V204 HydrophobicContact CG-CG2 4.41Å; S193-V204 WeakPolarHBondContact O-CG2 3.19Å; V194-V204 HydrophobicContact CG1-CB 3.89Å; V194-V204 HydrophobicContact CG1-CG1 3.86Å; F200-V204 VanDerWaalsContact O-CG2 3.27Å; F200-V204 WeakPolarHBondContact O-CG2 3.16Å; F200-V204 PolarHBondContact O-N 2.84Å; E202-V204 PolarHBondContact O-N 3.32Å; V204-Q208 HydrophobicContact CG1-CG 4.22Å; V204-Q208 WeakPolarHBondContact O-CB 3.21Å; V204-Q208 WeakPolarHBondContact O-CG 3.05Å; V204-Q208 PolarHBondContact O-N 2.77Å |
| 205 | R | 98.5 | Very high | 98.1 | Very high | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.015 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.4 | -51.7 | 174.5 | 172.1 | -165.8 | 84.2 | -166.7 | -7.5 | 110.8 | E4 V194 P201 E202 I203 Y207 Q208 S209 M241 Y245 E315 | E4-R205 PolarHBondContact O-NH1 3.28Å; V194-R205 HydrophobicContact CG1-CB 4.05Å; P201-R205 VanDerWaalsContact O-CB 3.3Å; P201-R205 WeakPolarHBondContact O-CB 3.49Å; P201-R205 PolarHBondContact O-N 2.86Å; E202-R205 PolarHBondContact O-N 3.46Å; E202-R205 IonicContact OE1-NH2 3.56Å; I203-R205 VanDerWaalsContact C-N 3.34Å; I203-R205 PolarHBondContact O-N 2.91Å; R205-Y207 VanDerWaalsContact C-N 3.33Å; R205-Y207 PolarHBondContact O-N 3.03Å; R205-Q208 CarbonylContact O-C 3.59Å; R205-Q208 WeakPolarHBondContact O-CA 3.4Å; R205-Q208 PolarHBondContact O-N 3.26Å; R205-S209 PolarHBondContact O-N 3.11Å; R205-M241 HydrophobicContact CB-CG 4.17Å; R205-M241 HydrophobicContact CG-CG 3.7Å; R205-Y245 VanDerWaalsContact CD-CD2 3.4Å; R205-Y245 HydrophobicContact CG-CD2 4.08Å; R205-Y245 HydrophobicContact CG-CG 4.08Å; R205-Y245 VanDerWaalsContact CZ-CE2 3.42Å; R205-E315 WeakPolarHBondContact CD-OE1 3.38Å; R205-E315 WeakPolarHBondContact CD-OE2 3.46Å; R205-E315 IonicContact CZ-OE1 2.74Å; R205-E315 IonicContact NE-OE1 3.66Å; R205-E315 IonicContact NH1-OE1 3.76Å; R205-E315 PolarHBondContact NH1-OE1 2.96Å |
| 206 | D | 98.2 | Very high | 98.2 | Very high | 31 Ų | 31 | 15.4 Ų | 15.4 | 17% | 0.166 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | -173.1 | -73.6 | 1.2 | 0 | 0 | 0 | 110.8 | Y34 E202 I203 Q208 S209 | Y34-D206 WeakPolarHBondContact OH-CB 3.33Å; Y34-D206 PolarHBondContact OH-OD2 3.28Å; E202-D206 WeakPolarHBondContact O-CB 3.2Å; E202-D206 PolarHBondContact O-N 2.99Å; I203-D206 PolarHBondContact O-N 3.5Å; D206-Q208 VanDerWaalsContact C-N 3.31Å; D206-Q208 PolarHBondContact O-N 3.21Å; D206-S209 WeakPolarHBondContact O-CB 3.2Å; D206-S209 PolarHBondContact O-N 2.93Å; D206-S209 PolarHBondContact O-OG 3.14Å |
| 207 | Y | 98.6 | Very high | 98.4 | Very high | 18 Ų | 18 | 20.3 Ų | 20.3 | 7% | 0.071 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -71.1 | -22.4 | 173.2 | -65.5 | -33.6 | 0 | 0 | 0 | 114.4 | F43 L47 Q97 L100 I203 R205 | F43-Y207 HydrophobicContact CE1-CE1 4.39Å; L47-Y207 HydrophobicContact CD2-CD1 3.88Å; L47-Y207 HydrophobicContact CD2-CE1 3.74Å; Q97-Y207 HydrophobicContact CG-CD2 4.31Å; Q97-Y207 HydrophobicContact CG-CE2 4.24Å; L100-Y207 HydrophobicContact CD1-CE2 3.86Å; L100-Y207 WeakPolarHBondContact CD1-OH 3.49Å; L100-Y207 HydrophobicContact CG-CE2 4.41Å; L100-Y207 WeakPolarHBondContact CG-OH 3.34Å; I203-Y207 HydrophobicContact CG2-CD2 3.65Å; I203-Y207 HydrophobicContact CG2-CE2 3.46Å; I203-Y207 VanDerWaalsContact CG2-CE2 3.46Å; I203-Y207 WeakPolarHBondContact O-CD2 3.42Å; I203-Y207 PolarHBondContact O-N 3.43Å; R205-Y207 VanDerWaalsContact C-N 3.33Å; R205-Y207 PolarHBondContact O-N 3.03Å |
| 208 | Q | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -89.1 | -15.4 | 171.8 | -65.6 | -68.8 | 2.8 | 0 | 0 | 113.3 | H89 N92 N93 V204 R205 D206 V210 I211 G242 | H89-Q208 PolarHBondContact CD2-NE2 3.38Å; H89-Q208 PolarHBondContact O-NE2 3.23Å; H89-Q208 PolarHBondContact O-OE1 3.31Å; N92-Q208 PolarHBondContact ND2-OE1 2.63Å; N93-Q208 HydrophobicContact CB-CG 4.32Å; V204-Q208 HydrophobicContact CG1-CG 4.22Å; V204-Q208 WeakPolarHBondContact O-CB 3.21Å; V204-Q208 WeakPolarHBondContact O-CG 3.05Å; V204-Q208 PolarHBondContact O-N 2.77Å; R205-Q208 CarbonylContact O-C 3.59Å; R205-Q208 WeakPolarHBondContact O-CA 3.4Å; R205-Q208 PolarHBondContact O-N 3.26Å; D206-Q208 VanDerWaalsContact C-N 3.31Å; D206-Q208 PolarHBondContact O-N 3.21Å; Q208-V210 PolarHBondContact O-N 3.33Å; Q208-I211 HydrophobicContact CB-CD1 4.47Å; Q208-I211 WeakPolarHBondContact O-CB 3.18Å; Q208-I211 VanDerWaalsContact O-CG1 3.22Å; Q208-I211 WeakPolarHBondContact O-CG1 3.48Å; Q208-I211 PolarHBondContact O-N 2.98Å; Q208-G242 VanDerWaalsContact C-CA 3.47Å; Q208-G242 CarbonylContact O-C 3.57Å; Q208-G242 VanDerWaalsContact O-CA 3.27Å; Q208-G242 WeakPolarHBondContact O-CA 3.37Å |
| 209 | S | 98.4 | Very high | 98.6 | Very high | 17 Ų | 17 | 20.7 Ų | 20.7 | 12% | 0.119 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.7 | -175.5 | 72.6 | 0 | 0 | 0 | 0 | 113.6 | R205 D206 I211 G212 I213 G242 | R205-S209 PolarHBondContact O-N 3.11Å; D206-S209 WeakPolarHBondContact O-CB 3.2Å; D206-S209 PolarHBondContact O-N 2.93Å; D206-S209 PolarHBondContact O-OG 3.14Å; S209-I211 PolarHBondContact O-N 2.77Å; S209-I211 VanDerWaalsContact O-N 3.12Å; S209-G212 PolarHBondContact O-N 3.07Å; S209-G212 VanDerWaalsContact O-N 3.14Å; S209-I213 VanDerWaalsContact O-CG1 3.28Å; S209-I213 WeakPolarHBondContact O-CG1 3.26Å; S209-I213 PolarHBondContact O-N 3.36Å; S209-G242 WeakPolarHBondContact CA-O 3.35Å |
| 210 | V | 98.6 | Very high | 98.6 | Very high | 27 Ų | 27 | 24.2 Ų | 24.2 | 16% | 0.164 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -52.4 | -31.9 | 172.6 | 68.6 | 0 | 0 | 0 | 0 | 112.2 | N92 Q208 E214 | N92-V210 HydrophobicContact CB-CG1 4.43Å; Q208-V210 PolarHBondContact O-N 3.33Å; V210-E214 HydrophobicContact CG2-CG 4.31Å; V210-E214 WeakPolarHBondContact CG2-OE1 3.21Å; V210-E214 WeakPolarHBondContact O-CB 3.07Å; V210-E214 VanDerWaalsContact O-CG 3.27Å; V210-E214 WeakPolarHBondContact O-CG 3.09Å; V210-E214 PolarHBondContact O-N 3.45Å |
| 211 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.6 | -55.3 | 177.6 | -57.9 | 171.9 | 0 | 0 | 0 | 110.3 | K79 E81 H89 Q208 S209 T215 M243 | K79-I211 HydrophobicContact CG-CG2 3.9Å; E81-I211 HydrophobicContact CG-CD1 4.15Å; E81-I211 HydrophobicContact CG-CG1 4.18Å; E81-I211 HydrophobicContact CG-CG2 4.11Å; H89-I211 HydrophobicContact CB-CD1 3.91Å; Q208-I211 HydrophobicContact CB-CD1 4.47Å; Q208-I211 WeakPolarHBondContact O-CB 3.18Å; Q208-I211 VanDerWaalsContact O-CG1 3.22Å; Q208-I211 WeakPolarHBondContact O-CG1 3.48Å; Q208-I211 PolarHBondContact O-N 2.98Å; S209-I211 PolarHBondContact O-N 2.77Å; S209-I211 VanDerWaalsContact O-N 3.12Å; I211-T215 VanDerWaalsContact O-CB 3.29Å; I211-T215 WeakPolarHBondContact O-CB 3.12Å; I211-T215 PolarHBondContact O-N 3.38Å; I211-T215 PolarHBondContact O-OG1 3.18Å; I211-M243 HydrophobicContact CG2-CB 4.25Å; I211-M243 HydrophobicContact CG2-CE 3.74Å; I211-M243 HydrophobicContact CG2-SD 4.22Å |
| 212 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.9 | -34.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S209 T215 R216 G242 M243 | S209-G212 PolarHBondContact O-N 3.07Å; S209-G212 VanDerWaalsContact O-N 3.14Å; G212-T215 PolarHBondContact O-N 2.98Å; G212-R216 WeakPolarHBondContact O-CB 3.3Å; G212-R216 PolarHBondContact O-N 3.36Å; G212-G242 WeakPolarHBondContact CA-O 3.48Å; G212-G242 PolarHBondContact N-O 3.31Å; G212-M243 WeakPolarHBondContact CA-O 3.42Å |
| 213 | I | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 34.8 Ų | 34.8 | 50% | 0.503 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.6 | -49.2 | 179.7 | -70.1 | 165.8 | 0 | 0 | 0 | 109.7 | S209 R217 P246 | S209-I213 VanDerWaalsContact O-CG1 3.28Å; S209-I213 WeakPolarHBondContact O-CG1 3.26Å; S209-I213 PolarHBondContact O-N 3.36Å; I213-R217 PolarHBondContact O-N 3.02Å; I213-P246 HydrophobicContact CG1-CB 4.3Å; I213-P246 HydrophobicContact CG1-CG 3.76Å |
| 214 | E | 98.8 | Very high | 98.6 | Very high | 18 Ų | 18 | 38.1 Ų | 38.1 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 175.3 | -71.3 | 173.1 | -169.5 | 0 | 0 | 110.9 | R57 E58 N59 K79 V210 R216 R217 Q218 | R57-E214 IonicContact CZ-OE1 3.01Å; R57-E214 IonicContact CZ-OE2 3.04Å; R57-E214 IonicContact NE-OE1 3.72Å; R57-E214 PolarHBondContact NE-OE1 3.44Å; R57-E214 IonicContact NE-OE2 3.25Å; R57-E214 IonicContact NH2-OE1 3.39Å; R57-E214 PolarHBondContact NH2-OE1 2.87Å; R57-E214 IonicContact NH2-OE2 2.7Å; R57-E214 PolarHBondContact NH2-OE2 3.41Å; E58-E214 HydrophobicContact CB-CG 3.99Å; E58-E214 WeakPolarHBondContact CB-OE1 3.14Å; E58-E214 WeakPolarHBondContact CB-OE2 3.39Å; N59-E214 PolarHBondContact N-OE2 2.79Å; K79-E214 IonicContact NZ-OE2 2.76Å; K79-E214 PolarHBondContact NZ-OE2 2.92Å; V210-E214 HydrophobicContact CG2-CG 4.31Å; V210-E214 WeakPolarHBondContact CG2-OE1 3.21Å; V210-E214 WeakPolarHBondContact O-CB 3.07Å; V210-E214 VanDerWaalsContact O-CG 3.27Å; V210-E214 WeakPolarHBondContact O-CG 3.09Å; V210-E214 PolarHBondContact O-N 3.45Å; E214-R216 PolarHBondContact O-N 2.82Å; E214-R217 PolarHBondContact O-N 2.78Å; E214-Q218 WeakPolarHBondContact O-CB 3.08Å; E214-Q218 WeakPolarHBondContact O-CG 3.44Å; E214-Q218 PolarHBondContact O-N 3.05Å; E214-Q218 PolarHBondContact O-OE1 2.78Å |
| 215 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | -179.5 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | L61 K79 I211 G212 R217 Q218 I219 M243 F247 V375 | L61-T215 HydrophobicContact CD1-CG2 4.31Å; K79-T215 WeakPolarHBondContact CD-OG1 3.35Å; K79-T215 WeakPolarHBondContact CG-OG1 3.4Å; I211-T215 VanDerWaalsContact O-CB 3.29Å; I211-T215 WeakPolarHBondContact O-CB 3.12Å; I211-T215 PolarHBondContact O-N 3.38Å; I211-T215 PolarHBondContact O-OG1 3.18Å; G212-T215 PolarHBondContact O-N 2.98Å; T215-R217 VanDerWaalsContact C-N 3.33Å; T215-R217 PolarHBondContact O-N 3.46Å; T215-Q218 PolarHBondContact O-N 2.95Å; T215-I219 WeakPolarHBondContact O-CB 2.73Å; T215-I219 VanDerWaalsContact O-CG2 3.24Å; T215-I219 WeakPolarHBondContact O-CG2 3.32Å; T215-I219 PolarHBondContact O-N 2.95Å; T215-M243 HydrophobicContact CG2-CE 4.23Å; T215-M243 HydrophobicContact CG2-SD 3.85Å; T215-F247 HydrophobicContact CG2-CE2 4.34Å; T215-F247 HydrophobicContact CG2-CZ 4.17Å; T215-V375 HydrophobicContact CG2-CB 4.44Å; T215-V375 HydrophobicContact CG2-CG1 3.6Å; T215-V375 HydrophobicContact CG2-CG2 4.49Å |
| 216 | R | 98.7 | Very high | 98.6 | Very high | 76 Ų | 76 | 43.3 Ų | 43.3 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58 | -45.2 | 177.6 | -171.4 | -167.4 | -174.3 | 104.4 | 12.8 | 111.3 | G212 E214 I219 L220 L226 P246 F247 D250 | G212-R216 WeakPolarHBondContact O-CB 3.3Å; G212-R216 PolarHBondContact O-N 3.36Å; E214-R216 PolarHBondContact O-N 2.82Å; R216-I219 WeakPolarHBondContact O-CG2 3.36Å; R216-L220 HydrophobicContact CG-CD1 4.28Å; R216-L220 WeakPolarHBondContact O-CB 3.35Å; R216-L220 WeakPolarHBondContact O-CD1 3.44Å; R216-L220 VanDerWaalsContact O-CG 3.27Å; R216-L220 WeakPolarHBondContact O-CG 3.38Å; R216-L220 PolarHBondContact O-N 3.37Å; R216-L226 HydrophobicContact CG-CD2 3.94Å; R216-P246 PolarHBondContact NH1-O 3.3Å; R216-F247 HydrophobicContact CB-CE1 3.97Å; R216-F247 HydrophobicContact CB-CE2 4.36Å; R216-F247 HydrophobicContact CB-CZ 3.67Å; R216-F247 HydrophobicContact CG-CE1 3.96Å; R216-F247 HydrophobicContact CG-CZ 4.2Å; R216-D250 IonicContact CZ-OD1 3.91Å; R216-D250 IonicContact CZ-OD2 2.96Å; R216-D250 IonicContact NH1-OD1 3.99Å; R216-D250 IonicContact NH1-OD2 2.71Å; R216-D250 PolarHBondContact NH1-OD2 3.06Å; R216-D250 IonicContact NH2-OD1 3.37Å; R216-D250 PolarHBondContact NH2-OD1 3.06Å; R216-D250 IonicContact NH2-OD2 3.53Å; R216-D250 PolarHBondContact NH2-OD2 3.47Å |
| 217 | R | 98.7 | Very high | 98.7 | Very high | 105 Ų | 105 | 42 Ų | 42 | 40% | 0.396 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.5 | -47.9 | 178.5 | -172.1 | -172.7 | 59.1 | 62.9 | 12 | 111.2 | E58 I213 E214 T215 L220 E221 | E58-R217 IonicContact OE1-CZ 3.76Å; E58-R217 IonicContact OE1-NH2 3.64Å; E58-R217 PolarHBondContact OE1-NH2 2.84Å; E58-R217 IonicContact OE2-CZ 2.94Å; E58-R217 IonicContact OE2-NE 3.21Å; E58-R217 IonicContact OE2-NH2 3.65Å; E58-R217 PolarHBondContact OE2-NH2 3.02Å; I213-R217 PolarHBondContact O-N 3.02Å; E214-R217 PolarHBondContact O-N 2.78Å; T215-R217 VanDerWaalsContact C-N 3.33Å; T215-R217 PolarHBondContact O-N 3.46Å; R217-L220 PolarHBondContact O-N 3.02Å; R217-E221 IonicContact NH1-OE2 2.67Å; R217-E221 PolarHBondContact NH1-OE2 3.47Å; R217-E221 WeakPolarHBondContact O-CB 3.42Å; R217-E221 PolarHBondContact O-N 2.9Å |
| 218 | Q | 98.9 | Very high | 98.7 | Very high | 18 Ų | 18 | 42.8 Ų | 42.8 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -40.2 | -176.6 | -71.8 | 170.1 | -33.3 | 0 | 0 | 112.1 | E58 N59 L61 E214 T215 E221 A222 | E58-Q218 PolarHBondContact OE1-NE2 3.19Å; E58-Q218 VanDerWaalsContact OE1-NE2 3.12Å; N59-Q218 PolarHBondContact O-NE2 2.92Å; N59-Q218 PolarHBondContact O-OE1 2.76Å; L61-Q218 HydrophobicContact CB-CB 3.82Å; L61-Q218 HydrophobicContact CB-CG 4.44Å; L61-Q218 HydrophobicContact CD2-CB 3.73Å; L61-Q218 HydrophobicContact CG-CB 4.43Å; E214-Q218 WeakPolarHBondContact O-CB 3.08Å; E214-Q218 WeakPolarHBondContact O-CG 3.44Å; E214-Q218 PolarHBondContact O-N 3.05Å; E214-Q218 PolarHBondContact O-OE1 2.78Å; T215-Q218 PolarHBondContact O-N 2.95Å; Q218-E221 PolarHBondContact O-N 2.87Å; Q218-A222 WeakPolarHBondContact O-CB 3.26Å; Q218-A222 PolarHBondContact O-N 3.07Å |
| 219 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.2 | -37.1 | 179.2 | -163.3 | 62.5 | 0 | 0 | 0 | 112 | L61 Y77 T215 R216 E221 A222 E223 P227 I373 V375 | L61-I219 HydrophobicContact CD2-CB 3.79Å; L61-I219 HydrophobicContact CD2-CD1 3.98Å; L61-I219 HydrophobicContact CD2-CG1 4.46Å; Y77-I219 HydrophobicContact CD1-CD1 4.29Å; Y77-I219 HydrophobicContact CD2-CD1 3.8Å; Y77-I219 HydrophobicContact CE1-CD1 4.3Å; Y77-I219 HydrophobicContact CE2-CD1 3.87Å; Y77-I219 HydrophobicContact CG-CD1 4.01Å; T215-I219 WeakPolarHBondContact O-CB 2.73Å; T215-I219 VanDerWaalsContact O-CG2 3.24Å; T215-I219 WeakPolarHBondContact O-CG2 3.32Å; T215-I219 PolarHBondContact O-N 2.95Å; R216-I219 WeakPolarHBondContact O-CG2 3.36Å; I219-E221 VanDerWaalsContact C-N 3.29Å; I219-E221 PolarHBondContact O-N 2.91Å; I219-A222 PolarHBondContact O-N 3.44Å; I219-E223 HydrophobicContact CD1-CB 4.35Å; I219-E223 HydrophobicContact CD1-CG 3.83Å; I219-E223 WeakPolarHBondContact O-CB 3.47Å; I219-E223 PolarHBondContact O-N 3.03Å; I219-P227 HydrophobicContact CG1-CB 4.49Å; I219-I373 HydrophobicContact CD1-CG2 3.94Å; I219-I373 HydrophobicContact CG1-CG2 4.4Å; I219-V375 HydrophobicContact CD1-CG2 4.13Å; I219-V375 HydrophobicContact CG1-CG2 4.21Å |
| 220 | L | 98.7 | Very high | 98.7 | Very high | 74 Ų | 74 | 42 Ų | 42 | 39% | 0.387 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.9 | -37.4 | 172.5 | -74.8 | 169.4 | 0 | 0 | 0 | 111.9 | R216 R217 G224 L226 | R216-L220 HydrophobicContact CG-CD1 4.28Å; R216-L220 WeakPolarHBondContact O-CB 3.35Å; R216-L220 WeakPolarHBondContact O-CD1 3.44Å; R216-L220 VanDerWaalsContact O-CG 3.27Å; R216-L220 WeakPolarHBondContact O-CG 3.38Å; R216-L220 PolarHBondContact O-N 3.37Å; R217-L220 PolarHBondContact O-N 3.02Å; L220-G224 WeakPolarHBondContact O-CA 3.47Å; L220-G224 PolarHBondContact O-N 2.91Å; L220-L226 HydrophobicContact CD1-CD2 4.17Å; L220-L226 HydrophobicContact CD2-CD2 3.98Å; L220-L226 HydrophobicContact CD2-CG 4.28Å; L220-L226 HydrophobicContact CG-CD2 4.01Å |
| 221 | E | 98.6 | Very high | 98.7 | Very high | 147 Ų | 147 | 40.8 Ų | 40.8 | 69% | 0.687 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -67.5 | -42.1 | 175.3 | -175.4 | 176.5 | 176.7 | 0 | 0 | 112.2 | R217 Q218 I219 | R217-E221 IonicContact NH1-OE2 2.67Å; R217-E221 PolarHBondContact NH1-OE2 3.47Å; R217-E221 WeakPolarHBondContact O-CB 3.42Å; R217-E221 PolarHBondContact O-N 2.9Å; Q218-E221 PolarHBondContact O-N 2.87Å; I219-E221 VanDerWaalsContact C-N 3.29Å; I219-E221 PolarHBondContact O-N 2.91Å |
| 222 | A | 98.4 | Very high | 98.7 | Very high | 58 Ų | 58 | 40.8 Ų | 40.8 | 48% | 0.479 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -76.4 | -36.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y77 Q218 I219 | Y77-A222 HydrophobicContact CE1-CB 4.27Å; Q218-A222 WeakPolarHBondContact O-CB 3.26Å; Q218-A222 PolarHBondContact O-N 3.07Å; I219-A222 PolarHBondContact O-N 3.44Å |
| 223 | E | 98.4 | Very high | 98.7 | Very high | 40 Ų | 40 | 40.9 Ų | 40.9 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -122.2 | -8.6 | -166 | -72 | -71.6 | -179 | 0 | 0 | 114.1 | R75 Y77 I219 R225 I373 | R75-E223 VanDerWaalsContact CZ-CD 3.44Å; R75-E223 IonicContact CZ-OE1 3.55Å; R75-E223 IonicContact CZ-OE2 3.97Å; R75-E223 IonicContact NE-OE1 3.82Å; R75-E223 IonicContact NH1-OE1 3.07Å; R75-E223 PolarHBondContact NH1-OE1 3.41Å; R75-E223 IonicContact NH1-OE2 2.62Å; R75-E223 PolarHBondContact NH1-OE2 2.92Å; R75-E223 IonicContact NH2-OE1 2.74Å; R75-E223 IonicContact NH2-OE2 3.64Å; R75-E223 PolarHBondContact NH2-OE2 2.66Å; Y77-E223 HydrophobicContact CE2-CG 4.03Å; Y77-E223 PolarHBondContact OH-OE1 3.03Å; I219-E223 HydrophobicContact CD1-CB 4.35Å; I219-E223 HydrophobicContact CD1-CG 3.83Å; I219-E223 WeakPolarHBondContact O-CB 3.47Å; I219-E223 PolarHBondContact O-N 3.03Å; E223-R225 HydrophobicContact CB-CG 4.49Å; E223-R225 PolarHBondContact O-N 3Å; E223-R225 VanDerWaalsContact O-N 3.09Å; E223-I373 HydrophobicContact CB-CD1 3.75Å; E223-I373 HydrophobicContact CG-CD1 3.69Å |
| 224 | G | 98.4 | Very high | 98.7 | Very high | 69 Ų | 69 | 36.2 Ų | 36.2 | 71% | 0.711 | 19% | 0.191 | S | C | * | . | S | Bend | trans | 67 | 5.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L220 | L220-G224 WeakPolarHBondContact O-CA 3.47Å; L220-G224 PolarHBondContact O-N 2.91Å |
| 225 | R | 98.6 | Very high | 98.5 | Very high | 82 Ų | 82 | 35.7 Ų | 35.7 | 31% | 0.309 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -150.5 | 164.8 | -179.7 | 69.3 | -177.2 | -165.9 | 97.2 | -3.6 | 111.6 | E223 D228 D371 I373 | E223-R225 HydrophobicContact CB-CG 4.49Å; E223-R225 PolarHBondContact O-N 3Å; E223-R225 VanDerWaalsContact O-N 3.09Å; R225-D228 IonicContact CZ-OD2 2.63Å; R225-D228 IonicContact NH1-OD1 3.78Å; R225-D228 PolarHBondContact NH1-OD1 3.4Å; R225-D228 VanDerWaalsContact NH1-OD1 3.11Å; R225-D228 IonicContact NH1-OD2 2.63Å; R225-D228 PolarHBondContact NH1-OD2 2.84Å; R225-D228 VanDerWaalsContact NH1-OD2 3.11Å; R225-D228 IonicContact NH2-OD1 3.92Å; R225-D228 IonicContact NH2-OD2 3.7Å; R225-D228 PolarHBondContact NH2-OD2 2.83Å; R225-D371 PolarHBondContact NH2-O 3Å; R225-I373 HydrophobicContact CG-CD1 4.04Å |
| 226 | L | 98.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 36 Ų | 36 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | trans | -72.3 | 155.1 | 171.9 | -64.5 | 178.3 | 0 | 0 | 0 | 110.9 | R216 L220 F247 D250 V253 | R216-L226 HydrophobicContact CG-CD2 3.94Å; L220-L226 HydrophobicContact CD1-CD2 4.17Å; L220-L226 HydrophobicContact CD2-CD2 3.98Å; L220-L226 HydrophobicContact CD2-CG 4.28Å; L220-L226 HydrophobicContact CG-CD2 4.01Å; L226-F247 HydrophobicContact CD2-CE1 4.09Å; L226-D250 HydrophobicContact CD1-CB 4Å; L226-D250 WeakPolarHBondContact CD1-OD1 3.27Å; L226-V253 HydrophobicContact CB-CG2 3.88Å; L226-V253 HydrophobicContact CD1-CG2 4.02Å | ||
| 227 | P | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.013 | 18% | 0.181 | C | C | . | . | trans | -69.6 | 157.7 | 176.6 | 31.1 | -36.3 | 0 | 0 | 0 | 111.5 | I219 V230 F247 V253 I373 V375 | I219-P227 HydrophobicContact CG1-CB 4.49Å; P227-V230 HydrophobicContact CB-CG2 4.35Å; P227-V230 HydrophobicContact CG-CG2 3.49Å; P227-V230 VanDerWaalsContact CG-CG2 3.49Å; P227-F247 HydrophobicContact CG-CE1 4.27Å; P227-V253 HydrophobicContact CG-CG1 4.23Å; P227-V253 WeakPolarHBondContact O-CG2 3.17Å; P227-I373 HydrophobicContact CB-CB 4.28Å; P227-I373 HydrophobicContact CB-CG2 3.84Å; P227-V375 HydrophobicContact CB-CG2 3.78Å; P227-V375 HydrophobicContact CG-CG2 4.03Å | ||
| 228 | D | 98.9 | Very high | 98.2 | Very high | 36 Ų | 36 | 27.6 Ų | 27.6 | 19% | 0.193 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -81.7 | -29.6 | 175.7 | -56.2 | -83.4 | 0 | 0 | 0 | 111.1 | R225 R254 M368 Q372 I373 | R225-D228 IonicContact CZ-OD2 2.63Å; R225-D228 IonicContact NH1-OD1 3.78Å; R225-D228 PolarHBondContact NH1-OD1 3.4Å; R225-D228 VanDerWaalsContact NH1-OD1 3.11Å; R225-D228 IonicContact NH1-OD2 2.63Å; R225-D228 PolarHBondContact NH1-OD2 2.84Å; R225-D228 VanDerWaalsContact NH1-OD2 3.11Å; R225-D228 IonicContact NH2-OD1 3.92Å; R225-D228 IonicContact NH2-OD2 3.7Å; R225-D228 PolarHBondContact NH2-OD2 2.83Å; D228-R254 WeakPolarHBondContact O-CB 3.3Å; D228-R254 PolarHBondContact O-N 3.34Å; D228-M368 HydrophobicContact CB-CE 4.28Å; D228-Q372 HydrophobicContact CB-CB 4.3Å; D228-Q372 HydrophobicContact CB-CG 4.38Å; D228-Q372 WeakPolarHBondContact OD2-CA 3.46Å; D228-I373 PolarHBondContact N-O 3.46Å; D228-I373 PolarHBondContact OD2-N 3.43Å |
| 229 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 132.7 | 177.2 | 175.9 | 62 | 0 | 0 | 0 | 111 | L231 R254 M256 L364 I373 I374 V375 | L229-L231 HydrophobicContact CD2-CD2 3.92Å; L229-L231 HydrophobicContact CG-CD2 4.03Å; L229-R254 WeakPolarHBondContact CA-O 3.47Å; L229-R254 HydrophobicContact CD1-CB 3.84Å; L229-M256 HydrophobicContact CD1-CB 3.86Å; L229-L364 HydrophobicContact CD2-CD1 3.79Å; L229-I373 PolarHBondContact N-O 2.92Å; L229-I373 VanDerWaalsContact N-O 3.11Å; L229-I374 HydrophobicContact CB-CG1 4.3Å; L229-I374 HydrophobicContact CD2-CD1 4.42Å; L229-I374 HydrophobicContact CD2-CG1 4.25Å; L229-I374 HydrophobicContact CD2-CG2 4.35Å; L229-I374 CarbonylContact O-C 3.56Å; L229-I374 WeakPolarHBondContact O-CA 3.47Å; L229-V375 PolarHBondContact O-N 3.07Å |
| 230 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130 | 164.6 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | P227 M243 F244 F247 V253 R254 L255 M256 V375 | P227-V230 HydrophobicContact CB-CG2 4.35Å; P227-V230 HydrophobicContact CG-CG2 3.49Å; P227-V230 VanDerWaalsContact CG-CG2 3.49Å; V230-M243 HydrophobicContact CG1-CG 3.24Å; V230-M243 HydrophobicContact CG1-SD 3.7Å; V230-F244 HydrophobicContact CG1-CD1 4.1Å; V230-F244 HydrophobicContact CG1-CE1 4.2Å; V230-F247 HydrophobicContact CG2-CD2 4.35Å; V230-F247 HydrophobicContact CG2-CE2 4.32Å; V230-F247 HydrophobicContact CG2-CG 4.49Å; V230-F247 HydrophobicContact CG2-CZ 4.4Å; V230-V253 HydrophobicContact CB-CG1 4.42Å; V230-V253 HydrophobicContact CG2-CG1 3.69Å; V230-R254 PolarHBondContact N-O 2.9Å; V230-L255 HydrophobicContact CB-CD2 3.99Å; V230-L255 WeakPolarHBondContact O-CA 3.35Å; V230-M256 PolarHBondContact O-N 3.17Å; V230-V375 VanDerWaalsContact CA-O 3.31Å; V230-V375 WeakPolarHBondContact CA-O 3.39Å; V230-V375 HydrophobicContact CG2-CB 4.4Å |
| 231 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 157.8 | -179.8 | 75.2 | 129.4 | 0 | 0 | 0 | 114.1 | L229 M256 V258 A357 Q360 V361 I374 V375 M376 N377 | L229-L231 HydrophobicContact CD2-CD2 3.92Å; L229-L231 HydrophobicContact CG-CD2 4.03Å; L231-M256 WeakPolarHBondContact CA-O 3.45Å; L231-M256 HydrophobicContact CB-CB 3.97Å; L231-M256 VanDerWaalsContact CB-O 3.29Å; L231-M256 WeakPolarHBondContact CB-O 3.48Å; L231-V258 HydrophobicContact CD1-CG2 4.18Å; L231-A357 HydrophobicContact CD1-CB 3.91Å; L231-A357 WeakPolarHBondContact CD1-O 3.47Å; L231-Q360 HydrophobicContact CD1-CB 4.44Å; L231-V361 HydrophobicContact CD1-CG2 3.77Å; L231-V361 HydrophobicContact CD2-CG2 3.65Å; L231-V361 HydrophobicContact CG-CG2 4.21Å; L231-I374 HydrophobicContact CD2-CG2 3.3Å; L231-V375 PolarHBondContact N-O 2.92Å; L231-M376 HydrophobicContact CD1-CG 4.11Å; L231-M376 HydrophobicContact CD2-CB 4.38Å; L231-M376 HydrophobicContact CG-CB 4.33Å; L231-M376 HydrophobicContact CG-CG 4.11Å; L231-M376 WeakPolarHBondContact O-CA 3.2Å; L231-N377 PolarHBondContact O-N 2.83Å |
| 232 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 152.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N239 A240 F244 M256 G257 V258 N377 | A232-N239 WeakPolarHBondContact CB-OD1 3.2Å; A232-A240 HydrophobicContact CB-CB 3.59Å; A232-F244 HydrophobicContact CB-CE1 4.03Å; A232-F244 HydrophobicContact CB-CZ 3.91Å; A232-M256 PolarHBondContact N-O 2.87Å; A232-M256 VanDerWaalsContact N-O 3.15Å; A232-G257 CarbonylContact O-C 3.53Å; A232-G257 WeakPolarHBondContact O-CA 3.31Å; A232-V258 PolarHBondContact O-N 3Å; A232-N377 HydrophobicContact CB-CB 3.88Å |
| 233 | C | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.014 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 148.9 | 174.4 | 63.5 | 0 | 0 | 0 | 0 | 110.6 | N239 V258 L307 E353 H356 A357 S379 | C233-N239 PolarHBondContact O-ND2 2.97Å; C233-V258 CarbonylContact C-O 3.17Å; C233-V258 WeakPolarHBondContact CA-O 3.17Å; C233-L307 HydrophobicContact CB-CD1 4.41Å; C233-L307 HydrophobicContact CB-CD2 4.18Å; C233-E353 WeakPolarHBondContact CB-O 3.38Å; C233-E353 PolarHBondContact SG-O 3.42Å; C233-E353 VanDerWaalsContact SG-O 3.41Å; C233-H356 HydrophobicContact CB-CB 4.43Å; C233-A357 HydrophobicContact CB-CB 4.24Å; C233-S379 PolarHBondContact SG-OG 2.49Å |
| 234 | V | 98.1 | Very high | 98.2 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | trans | -130.7 | 106.4 | -175.4 | -176.1 | 0 | 0 | 0 | 0 | 110 | A240 G257 V258 E259 I312 Y327 | V234-A240 HydrophobicContact CG2-CB 3.69Å; V234-G257 VanDerWaalsContact CG2-CA 3.49Å; V234-V258 PolarHBondContact N-O 2.75Å; V234-E259 HydrophobicContact CB-CG 4.41Å; V234-I312 HydrophobicContact CG1-CD1 3.47Å; V234-I312 VanDerWaalsContact CG1-CD1 3.47Å; V234-I312 HydrophobicContact CG1-CG1 3.72Å; V234-Y327 HydrophobicContact CG2-CE1 4.34Å | ||
| 235 | G | 93.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 11.7 Ų | 11.7 | 6% | 0.062 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -95.1 | -106.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | G237 L307 | G235-G237 PolarHBondContact O-N 2.63Å; G235-L307 VanDerWaalsContact N-CD2 3.35Å |
| 236 | G | 94.4 | Very high | 98.2 | Very high | 8 Ų | 8 | 9 Ų | 9 | 8% | 0.082 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -67.6 | -10.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S193 V194 G313 | S193-G236 WeakPolarHBondContact OG-CA 3.3Å; S193-G236 PolarHBondContact OG-O 3.07Å; V194-G236 WeakPolarHBondContact CG2-O 3.4Å; G236-G313 PolarHBondContact O-N 3.06Å |
| 237 | G | 97.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.01 | 4% | 0.041 | C | C | . | . | S | Bend | trans | 100 | -7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | S193 V194 G235 N239 A240 M241 H316 | S193-G237 PolarHBondContact OG-N 3.31Å; V194-G237 VanDerWaalsContact CG2-C 3.48Å; G235-G237 PolarHBondContact O-N 2.63Å; G237-N239 PolarHBondContact O-N 2.75Å; G237-A240 PolarHBondContact O-N 3.43Å; G237-A240 VanDerWaalsContact O-N 3.07Å; G237-M241 PolarHBondContact O-N 3.26Å; G237-H316 WeakPolarHBondContact CA-NE2 3.42Å; G237-H316 PolarHBondContact O-NE2 3.23Å |
| 238 | S | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 7.7 Ų | 7.7 | 1% | 0.014 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -57.1 | -47.5 | -169.7 | 33.3 | 0 | 0 | 0 | 0 | 115.9 | K90 S193 A240 G242 | K90-S238 PolarHBondContact NZ-OG 2.74Å; S193-S238 WeakPolarHBondContact OG-CB 3.19Å; S193-S238 PolarHBondContact OG-N 2.56Å; S193-S238 VanDerWaalsContact OG-N 3.12Å; S193-S238 PolarHBondContact OG-OG 3.24Å; S238-A240 VanDerWaalsContact C-N 3.31Å; S238-A240 PolarHBondContact O-N 3.1Å; S238-G242 PolarHBondContact O-N 3.29Å |
| 239 | N | 98.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 10.8 Ų | 10.8 | 4% | 0.037 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -65.1 | -36.4 | 177.5 | 84 | 99.8 | 0 | 0 | 0 | 112.5 | H89 A232 C233 G237 M243 N377 | H89-N239 HydrophobicContact CB-CB 4.43Å; H89-N239 VanDerWaalsContact CD2-CB 3.42Å; H89-N239 WeakPolarHBondContact CD2-CB 3.3Å; H89-N239 WeakPolarHBondContact NE2-CB 3.41Å; A232-N239 WeakPolarHBondContact CB-OD1 3.2Å; C233-N239 PolarHBondContact O-ND2 2.97Å; G237-N239 PolarHBondContact O-N 2.75Å; N239-M243 WeakPolarHBondContact O-CB 3.37Å; N239-M243 PolarHBondContact O-N 3.49Å; N239-M243 VanDerWaalsContact O-N 3.11Å; N239-N377 PolarHBondContact O-ND2 2.93Å; N239-N377 PolarHBondContact OD1-ND2 2.88Å |
| 240 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -71.5 | -49.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | A232 V234 G237 S238 G242 M243 F244 | A232-A240 HydrophobicContact CB-CB 3.59Å; V234-A240 HydrophobicContact CG2-CB 3.69Å; G237-A240 PolarHBondContact O-N 3.43Å; G237-A240 VanDerWaalsContact O-N 3.07Å; S238-A240 VanDerWaalsContact C-N 3.31Å; S238-A240 PolarHBondContact O-N 3.1Å; A240-G242 VanDerWaalsContact C-N 3.34Å; A240-G242 PolarHBondContact O-N 2.68Å; A240-M243 CarbonylContact O-C 3.56Å; A240-M243 WeakPolarHBondContact O-CB 3.08Å; A240-M243 PolarHBondContact O-N 3.1Å; A240-M243 VanDerWaalsContact O-N 3.12Å; A240-F244 HydrophobicContact CB-CD2 4.29Å; A240-F244 HydrophobicContact CB-CE2 3.73Å; A240-F244 HydrophobicContact CB-CZ 3.93Å; A240-F244 WeakPolarHBondContact O-CB 3.43Å; A240-F244 WeakPolarHBondContact O-CD1 3.47Å; A240-F244 WeakPolarHBondContact O-CD2 3.39Å; A240-F244 WeakPolarHBondContact O-CG 3.29Å; A240-F244 PolarHBondContact O-N 3.38Å |
| 241 | M | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 176.7 | -162.8 | 62.6 | 63.6 | 0 | 0 | 112.6 | V194 R205 G237 M243 F244 Y245 E315 H316 L319 | V194-M241 HydrophobicContact CG1-CB 4.23Å; V194-M241 HydrophobicContact CG2-CB 4.35Å; R205-M241 HydrophobicContact CB-CG 4.17Å; R205-M241 HydrophobicContact CG-CG 3.7Å; G237-M241 PolarHBondContact O-N 3.26Å; M241-M243 VanDerWaalsContact C-N 3.26Å; M241-M243 PolarHBondContact O-N 3.23Å; M241-F244 PolarHBondContact O-N 3.43Å; M241-Y245 WeakPolarHBondContact O-CB 3.26Å; M241-Y245 PolarHBondContact O-N 3.33Å; M241-E315 HydrophobicContact CE-CB 3.65Å; M241-E315 HydrophobicContact CE-CG 3.54Å; M241-E315 WeakPolarHBondContact CG-OE2 3.46Å; M241-E315 HydrophobicContact SD-CB 4.47Å; M241-E315 VanDerWaalsContact SD-CD 3.53Å; M241-E315 HydrophobicContact SD-CG 3.81Å; M241-E315 VanDerWaalsContact SD-OE2 3.39Å; M241-H316 HydrophobicContact CE-CB 4.32Å; M241-L319 HydrophobicContact CE-CD1 3.83Å; M241-L319 HydrophobicContact SD-CD1 3.84Å |
| 242 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.8 | -34.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q208 S209 G212 S238 A240 | Q208-G242 VanDerWaalsContact C-CA 3.47Å; Q208-G242 CarbonylContact O-C 3.57Å; Q208-G242 VanDerWaalsContact O-CA 3.27Å; Q208-G242 WeakPolarHBondContact O-CA 3.37Å; S209-G242 WeakPolarHBondContact CA-O 3.35Å; G212-G242 WeakPolarHBondContact CA-O 3.48Å; G212-G242 PolarHBondContact N-O 3.31Å; S238-G242 PolarHBondContact O-N 3.29Å; A240-G242 VanDerWaalsContact C-N 3.34Å; A240-G242 PolarHBondContact O-N 2.68Å |
| 243 | M | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -74.2 | -45.4 | 173.4 | 176.8 | 61.2 | 85.5 | 0 | 0 | 111.7 | K79 I211 G212 T215 V230 N239 A240 M241 F247 V375 N377 | K79-M243 HydrophobicContact CB-CE 3.46Å; K79-M243 VanDerWaalsContact CB-CE 3.46Å; K79-M243 HydrophobicContact CG-CE 3.72Å; I211-M243 HydrophobicContact CG2-CB 4.25Å; I211-M243 HydrophobicContact CG2-CE 3.74Å; I211-M243 HydrophobicContact CG2-SD 4.22Å; G212-M243 WeakPolarHBondContact CA-O 3.42Å; T215-M243 HydrophobicContact CG2-CE 4.23Å; T215-M243 HydrophobicContact CG2-SD 3.85Å; V230-M243 HydrophobicContact CG1-CG 3.24Å; V230-M243 HydrophobicContact CG1-SD 3.7Å; N239-M243 WeakPolarHBondContact O-CB 3.37Å; N239-M243 PolarHBondContact O-N 3.49Å; N239-M243 VanDerWaalsContact O-N 3.11Å; A240-M243 CarbonylContact O-C 3.56Å; A240-M243 WeakPolarHBondContact O-CB 3.08Å; A240-M243 PolarHBondContact O-N 3.1Å; A240-M243 VanDerWaalsContact O-N 3.12Å; M241-M243 VanDerWaalsContact C-N 3.26Å; M241-M243 PolarHBondContact O-N 3.23Å; M243-F247 VanDerWaalsContact O-CD2 3.27Å; M243-F247 WeakPolarHBondContact O-CD2 3.22Å; M243-F247 HydrophobicContact SD-CE2 4.48Å; M243-V375 HydrophobicContact CE-CG1 4.29Å; M243-N377 HydrophobicContact CB-CB 4.35Å; M243-N377 HydrophobicContact CE-CB 3.6Å; M243-N377 HydrophobicContact CG-CB 4.33Å |
| 244 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -76.9 | -35.3 | -171.6 | -63.5 | -13.3 | 0 | 0 | 0 | 113.8 | V230 A232 A240 M241 P246 F247 I248 L255 M256 V325 | V230-F244 HydrophobicContact CG1-CD1 4.1Å; V230-F244 HydrophobicContact CG1-CE1 4.2Å; A232-F244 HydrophobicContact CB-CE1 4.03Å; A232-F244 HydrophobicContact CB-CZ 3.91Å; A240-F244 HydrophobicContact CB-CD2 4.29Å; A240-F244 HydrophobicContact CB-CE2 3.73Å; A240-F244 HydrophobicContact CB-CZ 3.93Å; A240-F244 WeakPolarHBondContact O-CB 3.43Å; A240-F244 WeakPolarHBondContact O-CD1 3.47Å; A240-F244 WeakPolarHBondContact O-CD2 3.39Å; A240-F244 WeakPolarHBondContact O-CG 3.29Å; A240-F244 PolarHBondContact O-N 3.38Å; M241-F244 PolarHBondContact O-N 3.43Å; F244-P246 VanDerWaalsContact C-N 3.35Å; F244-F247 CarbonylContact O-C 3.55Å; F244-F247 WeakPolarHBondContact O-CA 3.39Å; F244-F247 PolarHBondContact O-N 2.85Å; F244-I248 PolarHBondContact O-N 3.31Å; F244-L255 HydrophobicContact CB-CD1 4.13Å; F244-L255 HydrophobicContact CB-CD2 4.42Å; F244-L255 HydrophobicContact CD1-CB 4.46Å; F244-L255 HydrophobicContact CD1-CD2 4.05Å; F244-L255 HydrophobicContact CG-CB 4.42Å; F244-L255 HydrophobicContact CG-CD1 4.48Å; F244-L255 HydrophobicContact CG-CD2 4.36Å; F244-M256 WeakPolarHBondContact CZ-O 3.35Å; F244-V325 HydrophobicContact CD2-CG1 4.32Å; F244-V325 HydrophobicContact CD2-CG2 4.33Å; F244-V325 HydrophobicContact CE2-CG1 4.01Å |
| 245 | Y | 98.5 | Very high | 98 | Very high | 66 Ų | 66 | 29 Ų | 29 | 26% | 0.259 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -51.3 | -46.9 | -169.4 | -179.7 | -105.4 | 0 | 0 | 0 | 113.3 | Y2 R205 M241 F247 I248 | Y2-Y245 HydrophobicContact CD1-CD2 4.43Å; Y2-Y245 AromaticContact CD1-CE2 3.87Å; Y2-Y245 HydrophobicContact CD1-CE2 3.87Å; Y2-Y245 HydrophobicContact CE1-CD2 4.45Å; Y2-Y245 HydrophobicContact CE1-CE2 4.1Å; R205-Y245 VanDerWaalsContact CD-CD2 3.4Å; R205-Y245 HydrophobicContact CG-CD2 4.08Å; R205-Y245 HydrophobicContact CG-CG 4.08Å; R205-Y245 VanDerWaalsContact CZ-CE2 3.42Å; M241-Y245 WeakPolarHBondContact O-CB 3.26Å; M241-Y245 PolarHBondContact O-N 3.33Å; Y245-F247 PolarHBondContact O-N 3.31Å; Y245-F247 VanDerWaalsContact O-N 3.1Å; Y245-I248 HydrophobicContact CD2-CD1 3.77Å; Y245-I248 HydrophobicContact CG-CD1 4.5Å; Y245-I248 PolarHBondContact O-N 2.82Å |
| 246 | P | 98.2 | Very high | 98.2 | Very high | 24 Ų | 24 | 28.8 Ų | 28.8 | 16% | 0.156 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -70.5 | -4.9 | 178.2 | -23.6 | 40.9 | 0 | 0 | 0 | 114.7 | I213 R216 F244 | I213-P246 HydrophobicContact CG1-CB 4.3Å; I213-P246 HydrophobicContact CG1-CG 3.76Å; R216-P246 PolarHBondContact NH1-O 3.3Å; F244-P246 VanDerWaalsContact C-N 3.35Å |
| 247 | F | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -113.6 | -1.6 | 178 | -61.9 | -84.6 | 0 | 0 | 0 | 113.5 | T215 R216 L226 P227 V230 M243 F244 Y245 E249 D250 V253 L255 R324 | T215-F247 HydrophobicContact CG2-CE2 4.34Å; T215-F247 HydrophobicContact CG2-CZ 4.17Å; R216-F247 HydrophobicContact CB-CE1 3.97Å; R216-F247 HydrophobicContact CB-CE2 4.36Å; R216-F247 HydrophobicContact CB-CZ 3.67Å; R216-F247 HydrophobicContact CG-CE1 3.96Å; R216-F247 HydrophobicContact CG-CZ 4.2Å; L226-F247 HydrophobicContact CD2-CE1 4.09Å; P227-F247 HydrophobicContact CG-CE1 4.27Å; V230-F247 HydrophobicContact CG2-CD2 4.35Å; V230-F247 HydrophobicContact CG2-CE2 4.32Å; V230-F247 HydrophobicContact CG2-CG 4.49Å; V230-F247 HydrophobicContact CG2-CZ 4.4Å; M243-F247 VanDerWaalsContact O-CD2 3.27Å; M243-F247 WeakPolarHBondContact O-CD2 3.22Å; M243-F247 HydrophobicContact SD-CE2 4.48Å; F244-F247 CarbonylContact O-C 3.55Å; F244-F247 WeakPolarHBondContact O-CA 3.39Å; F244-F247 PolarHBondContact O-N 2.85Å; Y245-F247 PolarHBondContact O-N 3.31Å; Y245-F247 VanDerWaalsContact O-N 3.1Å; F247-E249 PolarHBondContact O-N 3.21Å; F247-E249 VanDerWaalsContact O-N 3.13Å; F247-D250 WeakPolarHBondContact CA-OD2 3.4Å; F247-D250 PolarHBondContact O-N 3.02Å; F247-V253 HydrophobicContact CB-CG1 4.34Å; F247-V253 HydrophobicContact CD1-CG1 4.16Å; F247-V253 HydrophobicContact CD1-CG2 4.22Å; F247-V253 HydrophobicContact CG-CG1 4.43Å; F247-L255 HydrophobicContact CB-CD2 3.88Å; F247-R324 PolarHBondContact O-NH2 3.27Å |
| 248 | I | 98.4 | Very high | 98.5 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -35.4 | -175.5 | -72.9 | 174.8 | 0 | 0 | 0 | 112 | Y2 F244 Y245 L255 L319 R324 | Y2-I248 HydrophobicContact CD1-CD1 4.05Å; Y2-I248 HydrophobicContact CD1-CG2 4.35Å; Y2-I248 HydrophobicContact CD2-CG2 3.46Å; Y2-I248 VanDerWaalsContact CD2-CG2 3.46Å; Y2-I248 HydrophobicContact CE1-CD1 3.82Å; Y2-I248 HydrophobicContact CE2-CD1 4.42Å; Y2-I248 HydrophobicContact CE2-CG2 3.86Å; Y2-I248 HydrophobicContact CG-CD1 4.45Å; Y2-I248 HydrophobicContact CG-CG2 3.71Å; F244-I248 PolarHBondContact O-N 3.31Å; Y245-I248 HydrophobicContact CD2-CD1 3.77Å; Y245-I248 HydrophobicContact CG-CD1 4.5Å; Y245-I248 PolarHBondContact O-N 2.82Å; I248-L255 HydrophobicContact CG1-CD1 4.39Å; I248-L319 HydrophobicContact CD1-CD1 3.94Å; I248-L319 HydrophobicContact CD1-CD2 4.39Å; I248-L319 HydrophobicContact CG1-CD1 4.4Å; I248-L319 HydrophobicContact CG2-CD2 4.37Å; I248-R324 HydrophobicContact CG2-CG 4.48Å; I248-R324 PolarHBondContact O-NE 2.87Å |
| 249 | E | 97.8 | Very high | 98.5 | Very high | 101 Ų | 101 | 28.4 Ų | 28.4 | 47% | 0.472 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -18.6 | -179.6 | -58.4 | -154.6 | 107.5 | 0 | 0 | 114 | M1 Y2 F247 Q251 | M1-E249 WeakPolarHBondContact CA-OE1 3.34Å; M1-E249 WeakPolarHBondContact CA-OE2 3.21Å; M1-E249 PolarHBondContact N-OE1 2.76Å; Y2-E249 PolarHBondContact N-OE1 3.13Å; F247-E249 PolarHBondContact O-N 3.21Å; F247-E249 VanDerWaalsContact O-N 3.13Å; E249-Q251 PolarHBondContact O-N 2.91Å; E249-Q251 PolarHBondContact O-NE2 3.22Å |
| 250 | D | 98.3 | Very high | 98.5 | Very high | 31 Ų | 31 | 28 Ų | 28 | 17% | 0.166 | 14% | 0.136 | C | C | . | . | trans | -80.1 | 88.5 | -178.4 | -53.5 | -78.7 | 0 | 0 | 0 | 110.4 | R216 L226 F247 T252 V253 R324 | R216-D250 IonicContact CZ-OD1 3.91Å; R216-D250 IonicContact CZ-OD2 2.96Å; R216-D250 IonicContact NH1-OD1 3.99Å; R216-D250 IonicContact NH1-OD2 2.71Å; R216-D250 PolarHBondContact NH1-OD2 3.06Å; R216-D250 IonicContact NH2-OD1 3.37Å; R216-D250 PolarHBondContact NH2-OD1 3.06Å; R216-D250 IonicContact NH2-OD2 3.53Å; R216-D250 PolarHBondContact NH2-OD2 3.47Å; L226-D250 HydrophobicContact CD1-CB 4Å; L226-D250 WeakPolarHBondContact CD1-OD1 3.27Å; F247-D250 WeakPolarHBondContact CA-OD2 3.4Å; F247-D250 PolarHBondContact O-N 3.02Å; D250-T252 PolarHBondContact O-N 3.45Å; D250-V253 HydrophobicContact CB-CB 4.22Å; D250-V253 HydrophobicContact CB-CG2 3.7Å; D250-V253 WeakPolarHBondContact O-CB 3.24Å; D250-V253 PolarHBondContact O-N 2.82Å; D250-R324 PolarHBondContact O-NH2 2.98Å | ||
| 251 | Q | 96.9 | Very high | 98.5 | Very high | 147 Ų | 147 | 28.2 Ų | 28.2 | 69% | 0.687 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20.2 | -177 | -59.9 | -57.8 | -58.7 | 0 | 0 | 114.1 | E249 V253 | E249-Q251 PolarHBondContact O-N 2.91Å; E249-Q251 PolarHBondContact O-NE2 3.22Å; Q251-V253 VanDerWaalsContact C-N 3.3Å |
| 252 | T | 97.7 | Very high | 98.4 | Very high | 113 Ų | 113 | 28.3 Ų | 28.3 | 69% | 0.693 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -14.5 | 175.4 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | D250 | D250-T252 PolarHBondContact O-N 3.45Š|
| 253 | V | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -97.9 | 112.3 | 179.4 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | L226 P227 V230 F247 D250 Q251 L255 R324 | L226-V253 HydrophobicContact CB-CG2 3.88Å; L226-V253 HydrophobicContact CD1-CG2 4.02Å; P227-V253 HydrophobicContact CG-CG1 4.23Å; P227-V253 WeakPolarHBondContact O-CG2 3.17Å; V230-V253 HydrophobicContact CB-CG1 4.42Å; V230-V253 HydrophobicContact CG2-CG1 3.69Å; F247-V253 HydrophobicContact CB-CG1 4.34Å; F247-V253 HydrophobicContact CD1-CG1 4.16Å; F247-V253 HydrophobicContact CD1-CG2 4.22Å; F247-V253 HydrophobicContact CG-CG1 4.43Å; D250-V253 HydrophobicContact CB-CB 4.22Å; D250-V253 HydrophobicContact CB-CG2 3.7Å; D250-V253 WeakPolarHBondContact O-CB 3.24Å; D250-V253 PolarHBondContact O-N 2.82Å; Q251-V253 VanDerWaalsContact C-N 3.3Å; V253-L255 HydrophobicContact CG1-CD2 4.15Å; V253-R324 PolarHBondContact O-NH1 2.92Å; V253-R324 PolarHBondContact O-NH2 3.19Å |
| 254 | R | 98.8 | Very high | 98.3 | Very high | 94 Ų | 94 | 33.9 Ų | 33.9 | 36% | 0.355 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 139.6 | 171 | -68.6 | 173.9 | 60.8 | -151.4 | -2.9 | 109.5 | D228 L229 V230 E326 | D228-R254 WeakPolarHBondContact O-CB 3.3Å; D228-R254 PolarHBondContact O-N 3.34Å; L229-R254 WeakPolarHBondContact CA-O 3.47Å; L229-R254 HydrophobicContact CD1-CB 3.84Å; V230-R254 PolarHBondContact N-O 2.9Å; R254-E326 IonicContact CZ-OE1 2.74Å; R254-E326 IonicContact CZ-OE2 2.77Å; R254-E326 IonicContact NE-OE1 3.99Å; R254-E326 PolarHBondContact NE-OE1 2.94Å; R254-E326 VanDerWaalsContact NE-OE1 3.07Å; R254-E326 IonicContact NE-OE2 2.59Å; R254-E326 IonicContact NH2-OE1 3.56Å; R254-E326 IonicContact NH2-OE2 2.57Å; R254-E326 PolarHBondContact NH2-OE2 3.16Å |
| 255 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.9 | 178.3 | -59.1 | 178.4 | 0 | 0 | 0 | 108.3 | V230 F244 F247 I248 V253 V325 E326 | V230-L255 HydrophobicContact CB-CD2 3.99Å; V230-L255 WeakPolarHBondContact O-CA 3.35Å; F244-L255 HydrophobicContact CB-CD1 4.13Å; F244-L255 HydrophobicContact CB-CD2 4.42Å; F244-L255 HydrophobicContact CD1-CB 4.46Å; F244-L255 HydrophobicContact CD1-CD2 4.05Å; F244-L255 HydrophobicContact CG-CB 4.42Å; F244-L255 HydrophobicContact CG-CD1 4.48Å; F244-L255 HydrophobicContact CG-CD2 4.36Å; F247-L255 HydrophobicContact CB-CD2 3.88Å; I248-L255 HydrophobicContact CG1-CD1 4.39Å; V253-L255 HydrophobicContact CG1-CD2 4.15Å; L255-V325 HydrophobicContact CB-CB 4.43Å; L255-V325 HydrophobicContact CB-CG1 4.37Å; L255-V325 HydrophobicContact CB-CG2 3.86Å; L255-V325 HydrophobicContact CD1-CG2 4.07Å; L255-V325 WeakPolarHBondContact O-CA 3.23Å; L255-E326 PolarHBondContact O-N 3.22Å |
| 256 | M | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 116.7 | -175.6 | -178.7 | 175.4 | -78.7 | 0 | 0 | 112.4 | L229 V230 L231 A232 F244 V258 E326 E328 Q360 L364 | L229-M256 HydrophobicContact CD1-CB 3.86Å; V230-M256 PolarHBondContact O-N 3.17Å; L231-M256 WeakPolarHBondContact CA-O 3.45Å; L231-M256 HydrophobicContact CB-CB 3.97Å; L231-M256 VanDerWaalsContact CB-O 3.29Å; L231-M256 WeakPolarHBondContact CB-O 3.48Å; A232-M256 PolarHBondContact N-O 2.87Å; A232-M256 VanDerWaalsContact N-O 3.15Å; F244-M256 WeakPolarHBondContact CZ-O 3.35Å; M256-V258 HydrophobicContact CG-CG2 4.45Å; M256-E326 CarbonylContact C-O 3.4Å; M256-E326 VanDerWaalsContact CA-O 3.26Å; M256-E326 WeakPolarHBondContact CA-O 3.39Å; M256-E326 HydrophobicContact CE-CB 4.19Å; M256-E326 WeakPolarHBondContact CE-OE2 3.3Å; M256-E328 HydrophobicContact CE-CG 3.69Å; M256-E328 HydrophobicContact CG-CG 4.14Å; M256-E328 HydrophobicContact SD-CB 4.36Å; M256-E328 HydrophobicContact SD-CG 3.69Å; M256-Q360 HydrophobicContact SD-CG 3.64Å; M256-L364 HydrophobicContact CE-CD1 3.98Å; M256-L364 HydrophobicContact SD-CD1 3.65Å |
| 257 | G | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 142.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A232 V234 E326 Y327 E328 | A232-G257 CarbonylContact O-C 3.53Å; A232-G257 WeakPolarHBondContact O-CA 3.31Å; V234-G257 VanDerWaalsContact CG2-CA 3.49Å; G257-E326 PolarHBondContact N-O 2.86Å; G257-Y327 WeakPolarHBondContact O-CA 3.14Å; G257-E328 PolarHBondContact O-N 3.36Å |
| 258 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 107.6 | 176.2 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | L231 A232 C233 V234 M256 E328 I330 H356 Q360 | L231-V258 HydrophobicContact CD1-CG2 4.18Å; A232-V258 PolarHBondContact O-N 3Å; C233-V258 CarbonylContact C-O 3.17Å; C233-V258 WeakPolarHBondContact CA-O 3.17Å; V234-V258 PolarHBondContact N-O 2.75Å; M256-V258 HydrophobicContact CG-CG2 4.45Å; V258-E328 CarbonylContact C-O 3.54Å; V258-E328 WeakPolarHBondContact CA-O 3.48Å; V258-I330 HydrophobicContact CG1-CB 3.95Å; V258-I330 HydrophobicContact CG1-CG1 3.45Å; V258-I330 VanDerWaalsContact CG1-CG1 3.45Å; V258-H356 HydrophobicContact CG1-CB 4.19Å; V258-Q360 HydrophobicContact CG1-CB 4.38Å; V258-Q360 HydrophobicContact CG2-CB 3.81Å; V258-Q360 HydrophobicContact CG2-CG 4.06Å |
| 259 | E | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 161.8 | 177 | -57.8 | -173.4 | 116.6 | 0 | 0 | 111.7 | V234 A272 S273 I274 N275 E328 A329 I330 | V234-E259 HydrophobicContact CB-CG 4.41Å; E259-A272 HydrophobicContact CB-CB 3.92Å; E259-A272 VanDerWaalsContact OE2-C 3.3Å; E259-A272 WeakPolarHBondContact OE2-CA 3.23Å; E259-S273 PolarHBondContact OE1-N 2.85Å; E259-S273 PolarHBondContact OE2-N 3.04Å; E259-I274 PolarHBondContact OE1-N 2.84Å; E259-I274 PolarHBondContact OE2-N 2.83Å; E259-I274 VanDerWaalsContact OE2-N 3.16Å; E259-N275 PolarHBondContact OE2-N 3.47Å; E259-N275 VanDerWaalsContact OE2-N 3.14Å; E259-N275 PolarHBondContact OE2-ND2 3.09Å; E259-E328 PolarHBondContact N-O 3.21Å; E259-A329 WeakPolarHBondContact O-CA 3.45Å; E259-I330 PolarHBondContact O-N 3.29Å |
| 260 | A | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G262 A271 A272 S302 L307 | A260-G262 VanDerWaalsContact C-N 3.33Å; A260-A271 HydrophobicContact CB-CB 4.25Å; A260-A271 CarbonylContact O-C 3.42Å; A260-A271 WeakPolarHBondContact O-CA 3.48Å; A260-A271 PolarHBondContact O-N 3.47Å; A260-A272 PolarHBondContact O-N 3.1Å; A260-S302 WeakPolarHBondContact CB-OG 3.39Å; A260-L307 HydrophobicContact CB-CB 3.8Å; A260-L307 HydrophobicContact CB-CD1 3.95Å |
| 261 | A | 98.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.033 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -2.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | H263 G264 L265 H270 A329 I330 N331 | A261-H263 PolarHBondContact O-N 3.18Å; A261-G264 CarbonylContact O-C 3.56Å; A261-G264 VanDerWaalsContact O-CA 3.26Å; A261-G264 WeakPolarHBondContact O-CA 3.45Å; A261-G264 PolarHBondContact O-N 3.35Å; A261-L265 HydrophobicContact CB-CD2 3.98Å; A261-L265 HydrophobicContact CB-CG 4.08Å; A261-H270 VanDerWaalsContact C-CB 3.48Å; A261-H270 WeakPolarHBondContact O-CB 3.43Å; A261-A329 HydrophobicContact CB-CB 3.92Å; A261-I330 WeakPolarHBondContact CB-O 3.36Å; A261-I330 PolarHBondContact N-O 3.35Å; A261-N331 HydrophobicContact CB-CB 4.22Å |
| 262 | G | 97.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 54 | -121.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | A260 G264 E269 N331 D332 | A260-G262 VanDerWaalsContact C-N 3.33Å; G262-G264 VanDerWaalsContact C-N 3.26Å; G262-G264 PolarHBondContact O-N 3.37Å; G262-E269 CarbonylContact C-O 3.57Å; G262-E269 VanDerWaalsContact CA-O 3.31Å; G262-E269 WeakPolarHBondContact CA-O 3.5Å; G262-N331 WeakPolarHBondContact O-CA 3.46Å; G262-N331 WeakPolarHBondContact O-CB 3.42Å; G262-D332 WeakPolarHBondContact CA-OD1 3.49Å; G262-D332 PolarHBondContact O-N 3.15Å |
| 263 | H | 97.5 | Very high | 97.3 | Very high | 101 Ų | 101 | 37.5 Ų | 37.5 | 47% | 0.468 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -1.3 | 174.7 | -64.4 | 157.8 | 0 | 0 | 0 | 114.3 | A261 T267 E269 F301 | A261-H263 PolarHBondContact O-N 3.18Å; H263-T267 HydrophobicContact CB-CG2 4.44Å; H263-E269 HydrophobicContact CB-CB 4.25Å; H263-E269 IonicContact CE1-OE2 3.52Å; H263-E269 IonicContact CG-OE2 3.62Å; H263-E269 PolarHBondContact N-O 3.07Å; H263-E269 IonicContact ND1-OE2 2.75Å; H263-E269 PolarHBondContact ND1-OE2 3.26Å; H263-F301 AromaticContact CD2-CE1 3.67Å; H263-F301 AromaticContact CE1-CE1 3.52Å; H263-F301 AromaticContact CE1-CZ 3.57Å; H263-F301 AromaticContact ND1-CE1 3.94Å; H263-F301 AromaticContact NE2-CE1 3.35Å; H263-F301 WeakPolarHBondContact NE2-CE1 3.35Å; H263-F301 AromaticContact NE2-CZ 3.54Å |
| 264 | G | 97.4 | Very high | 97.3 | Very high | 16 Ų | 16 | 38.1 Ų | 38.1 | 17% | 0.165 | 19% | 0.187 | C | C | . | . | trans | 130 | 150.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A261 G262 D266 T267 | A261-G264 CarbonylContact O-C 3.56Å; A261-G264 VanDerWaalsContact O-CA 3.26Å; A261-G264 WeakPolarHBondContact O-CA 3.45Å; A261-G264 PolarHBondContact O-N 3.35Å; G262-G264 VanDerWaalsContact C-N 3.26Å; G262-G264 PolarHBondContact O-N 3.37Å; G264-D266 PolarHBondContact O-N 3.49Å; G264-D266 VanDerWaalsContact O-N 3.16Å; G264-T267 WeakPolarHBondContact O-CB 3.13Å; G264-T267 PolarHBondContact O-N 3.47Å; G264-T267 PolarHBondContact O-OG1 2.96Å | ||
| 265 | L | 96.9 | Very high | 97.3 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.4 | -180 | -73.1 | -167.6 | 0 | 0 | 0 | 114.8 | A261 T267 A272 N275 K276 A329 | A261-L265 HydrophobicContact CB-CD2 3.98Å; A261-L265 HydrophobicContact CB-CG 4.08Å; L265-T267 VanDerWaalsContact C-N 3.31Å; L265-A272 HydrophobicContact CD2-CB 3.55Å; L265-N275 HydrophobicContact CD1-CB 4.26Å; L265-N275 HydrophobicContact CD2-CB 4.48Å; L265-K276 HydrophobicContact CD2-CG 3.97Å; L265-K276 WeakPolarHBondContact O-CE 3.4Å; L265-K276 PolarHBondContact O-NZ 2.81Å; L265-A329 HydrophobicContact CD1-CB 3.82Å; L265-A329 HydrophobicContact CD2-CB 3.94Å; L265-A329 HydrophobicContact CG-CB 4.04Å |
| 266 | D | 95.8 | Very high | 97.2 | Very high | 161 Ų | 161 | 41.4 Ų | 41.4 | 86% | 0.861 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -2.2 | 175.5 | -60.9 | -34.5 | 0 | 0 | 0 | 112.6 | G264 | G264-D266 PolarHBondContact O-N 3.49Å; G264-D266 VanDerWaalsContact O-N 3.16Å |
| 267 | T | 95.2 | Very high | 97.1 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 34% | 0.344 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -104.7 | 176 | 175.5 | 80 | 0 | 0 | 0 | 0 | 110.4 | H263 G264 L265 E269 H270 | H263-T267 HydrophobicContact CB-CG2 4.44Å; G264-T267 WeakPolarHBondContact O-CB 3.13Å; G264-T267 PolarHBondContact O-N 3.47Å; G264-T267 PolarHBondContact O-OG1 2.96Å; L265-T267 VanDerWaalsContact C-N 3.31Å; T267-E269 VanDerWaalsContact C-N 3.35Å; T267-E269 PolarHBondContact OG1-N 3.39Å; T267-H270 PolarHBondContact O-CD2 2.99Å |
| 268 | K | 92.8 | Very high | 97 | Very high | 186 Ų | 186 | 44.9 Ų | 44.9 | 81% | 0.809 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -86.9 | -8.8 | 169.1 | -65.4 | -173.3 | 176 | -171.2 | 0 | 113 | H270 | K268-H270 PolarHBondContact O-N 3.44Š|
| 269 | E | 95.3 | Very high | 97 | Very high | 94 Ų | 94 | 47.6 Ų | 47.6 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | trans | -97 | 76.4 | -171.2 | -66.6 | 178.8 | 133.6 | 0 | 0 | 109.4 | G262 H263 T267 F301 | G262-E269 CarbonylContact C-O 3.57Å; G262-E269 VanDerWaalsContact CA-O 3.31Å; G262-E269 WeakPolarHBondContact CA-O 3.5Å; H263-E269 HydrophobicContact CB-CB 4.25Å; H263-E269 IonicContact CE1-OE2 3.52Å; H263-E269 IonicContact CG-OE2 3.62Å; H263-E269 PolarHBondContact N-O 3.07Å; H263-E269 IonicContact ND1-OE2 2.75Å; H263-E269 PolarHBondContact ND1-OE2 3.26Å; T267-E269 VanDerWaalsContact C-N 3.35Å; T267-E269 PolarHBondContact OG1-N 3.39Å; E269-F301 HydrophobicContact CB-CB 4Å; E269-F301 HydrophobicContact CB-CD1 3.88Å; E269-F301 HydrophobicContact CB-CG 3.99Å | ||
| 270 | H | 96.7 | Very high | 97 | Very high | 18 Ų | 18 | 48 Ų | 48 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | trans | -151.5 | 169.4 | 177.3 | 64.3 | 61.4 | 0 | 0 | 0 | 111.9 | A261 T267 K268 K276 L290 A300 F301 | A261-H270 VanDerWaalsContact C-CB 3.48Å; A261-H270 WeakPolarHBondContact O-CB 3.43Å; T267-H270 PolarHBondContact O-CD2 2.99Å; K268-H270 PolarHBondContact O-N 3.44Å; H270-K276 VanDerWaalsContact CE1-CB 3.44Å; H270-K276 WeakPolarHBondContact CE1-CB 3.4Å; H270-L290 VanDerWaalsContact O-CD1 3.31Å; H270-L290 WeakPolarHBondContact O-CD1 3.38Å; H270-A300 WeakPolarHBondContact O-CA 3.42Å; H270-F301 CarbonylContact C-O 3.52Å; H270-F301 WeakPolarHBondContact CA-O 3.39Å; H270-F301 PolarHBondContact O-N 2.66Å; H270-F301 VanDerWaalsContact O-N 3.11Å | ||
| 271 | A | 95.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | trans | -123.5 | 25.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | A260 S273 A300 F301 L307 | A260-A271 HydrophobicContact CB-CB 4.25Å; A260-A271 CarbonylContact O-C 3.42Å; A260-A271 WeakPolarHBondContact O-CA 3.48Å; A260-A271 PolarHBondContact O-N 3.47Å; A271-S273 PolarHBondContact O-N 3.21Å; A271-S273 VanDerWaalsContact O-N 3.15Å; A271-A300 HydrophobicContact CB-CB 3.86Å; A271-F301 PolarHBondContact N-O 2.99Å; A271-L307 WeakPolarHBondContact CB-O 3.23Å | ||
| 272 | A | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -87.4 | 79.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E259 A260 L265 N275 K276 A329 | E259-A272 HydrophobicContact CB-CB 3.92Å; E259-A272 VanDerWaalsContact OE2-C 3.3Å; E259-A272 WeakPolarHBondContact OE2-CA 3.23Å; A260-A272 PolarHBondContact O-N 3.1Å; L265-A272 HydrophobicContact CD2-CB 3.55Å; A272-N275 HydrophobicContact CB-CB 3.97Å; A272-N275 PolarHBondContact O-N 3.23Å; A272-K276 PolarHBondContact O-N 3.23Å; A272-A329 HydrophobicContact CB-CB 4.3Å | ||
| 273 | S | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -38.1 | -173.2 | -62.4 | 0 | 0 | 0 | 0 | 113.8 | E259 A271 G277 P310 G311 | E259-S273 PolarHBondContact OE1-N 2.85Å; E259-S273 PolarHBondContact OE2-N 3.04Å; A271-S273 PolarHBondContact O-N 3.21Å; A271-S273 VanDerWaalsContact O-N 3.15Å; S273-G277 WeakPolarHBondContact O-CA 3.4Å; S273-G277 PolarHBondContact O-N 2.76Å; S273-P310 PolarHBondContact OG-O 2.87Å; S273-P310 VanDerWaalsContact OG-O 3.07Å; S273-G311 VanDerWaalsContact OG-C 3.31Å; S273-G311 WeakPolarHBondContact OG-CA 3.35Å; S273-G311 PolarHBondContact OG-N 2.92Å; S273-G311 PolarHBondContact OG-O 3.39Å |
| 274 | I | 98.2 | Very high | 96.4 | Very high | 13 Ų | 13 | 49.8 Ų | 49.8 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.2 | -44 | 175.4 | -66.1 | -67.6 | 0 | 0 | 0 | 110.5 | E259 K276 H288 I312 H320 Y327 | E259-I274 PolarHBondContact OE1-N 2.84Å; E259-I274 PolarHBondContact OE2-N 2.83Å; E259-I274 VanDerWaalsContact OE2-N 3.16Å; I274-K276 PolarHBondContact O-N 2.81Å; I274-H288 HydrophobicContact CD1-CB 3.92Å; I274-I312 HydrophobicContact CD1-CD1 4.05Å; I274-I312 HydrophobicContact CD1-CG2 3.79Å; I274-I312 HydrophobicContact CG1-CD1 3.44Å; I274-I312 VanDerWaalsContact CG1-CD1 3.44Å; I274-I312 HydrophobicContact CG1-CG2 4.07Å; I274-H320 HydrophobicContact CD1-CB 4Å; I274-H320 HydrophobicContact CG2-CB 4.31Å; I274-H320 VanDerWaalsContact CG2-CE1 3.5Å; I274-H320 WeakPolarHBondContact CG2-CE1 3.5Å; I274-H320 WeakPolarHBondContact CG2-ND1 3.4Å; I274-Y327 HydrophobicContact CB-CD1 4.47Å; I274-Y327 HydrophobicContact CB-CD2 4.46Å; I274-Y327 HydrophobicContact CB-CG 4.09Å; I274-Y327 HydrophobicContact CG1-CD1 4.07Å; I274-Y327 HydrophobicContact CG1-CD2 4.26Å; I274-Y327 HydrophobicContact CG1-CE1 4.33Å; I274-Y327 HydrophobicContact CG1-CG 4.03Å; I274-Y327 HydrophobicContact CG2-CD2 3.85Å; I274-Y327 HydrophobicContact CG2-CG 3.85Å |
| 275 | N | 97.7 | Very high | 96.4 | Very high | 61 Ų | 61 | 49 Ų | 49 | 33% | 0.326 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -72.3 | -30.2 | -173.9 | -77.7 | -89.9 | 0 | 0 | 0 | 114 | E259 L265 A272 Y327 | E259-N275 PolarHBondContact OE2-N 3.47Å; E259-N275 VanDerWaalsContact OE2-N 3.14Å; E259-N275 PolarHBondContact OE2-ND2 3.09Å; L265-N275 HydrophobicContact CD1-CB 4.26Å; L265-N275 HydrophobicContact CD2-CB 4.48Å; A272-N275 HydrophobicContact CB-CB 3.97Å; A272-N275 PolarHBondContact O-N 3.23Å; N275-Y327 PolarHBondContact ND2-O 2.89Å; N275-Y327 PolarHBondContact OD1-O 2.82Å |
| 276 | K | 97.4 | Very high | 96.5 | Very high | 103 Ų | 103 | 49.1 Ų | 49.1 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -134.7 | -4.5 | -172.7 | -68.5 | -66.9 | -177.5 | 158.4 | 0 | 114.9 | L265 H270 A272 I274 L290 | L265-K276 HydrophobicContact CD2-CG 3.97Å; L265-K276 WeakPolarHBondContact O-CE 3.4Å; L265-K276 PolarHBondContact O-NZ 2.81Å; H270-K276 VanDerWaalsContact CE1-CB 3.44Å; H270-K276 WeakPolarHBondContact CE1-CB 3.4Å; A272-K276 PolarHBondContact O-N 3.23Å; I274-K276 PolarHBondContact O-N 2.81Å; K276-L290 HydrophobicContact CB-CD2 4.29Å |
| 277 | G | 96.8 | Very high | 96.6 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | trans | -85.5 | -174.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | S273 L289 | S273-G277 WeakPolarHBondContact O-CA 3.4Å; S273-G277 PolarHBondContact O-N 2.76Å; G277-L289 CarbonylContact C-O 3.58Å; G277-L289 WeakPolarHBondContact CA-O 3.28Å | ||
| 278 | S | 97.7 | Very high | 96.7 | Very high | 52 Ų | 52 | 39.6 Ų | 39.6 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 167.4 | 173 | 61.4 | 0 | 0 | 0 | 0 | 109.8 | G280 H288 L289 Q291 | S278-G280 PolarHBondContact O-N 3.12Å; S278-H288 WeakPolarHBondContact O-CA 3.47Å; S278-L289 PolarHBondContact N-O 3.34Å; S278-L289 PolarHBondContact O-N 3.05Å; S278-Q291 PolarHBondContact O-NE2 3.03Å; S278-Q291 VanDerWaalsContact OG-CG 3.27Å; S278-Q291 WeakPolarHBondContact OG-CG 3.32Å; S278-Q291 PolarHBondContact OG-NE2 3.45Å |
| 279 | V | 98.2 | Very high | 97 | Very high | 57 Ų | 57 | 30.8 Ų | 30.8 | 35% | 0.345 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128.8 | -177.8 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | Y14 K286 M287 Q291 | Y14-V279 HydrophobicContact CE1-CG1 3.94Å; Y14-V279 HydrophobicContact CE1-CG2 3.83Å; Y14-V279 WeakPolarHBondContact OH-CG2 3.4Å; V279-K286 HydrophobicContact CG1-CD 4.28Å; V279-K286 HydrophobicContact CG1-CG 3.98Å; V279-M287 WeakPolarHBondContact CA-O 3.32Å; V279-Q291 PolarHBondContact O-NE2 3.27Å |
| 280 | G | 97.9 | Very high | 97.1 | Very high | 12 Ų | 12 | 26.6 Ų | 26.6 | 12% | 0.124 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | -168.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | S278 K286 M287 L289 | S278-G280 PolarHBondContact O-N 3.12Å; G280-K286 CarbonylContact O-C 3.55Å; G280-K286 VanDerWaalsContact O-CA 3.26Å; G280-K286 WeakPolarHBondContact O-CA 3.44Å; G280-M287 PolarHBondContact N-O 2.88Å; G280-M287 PolarHBondContact O-N 3.16Å; G280-M287 VanDerWaalsContact O-O 3.11Å; G280-L289 VanDerWaalsContact CA-CD2 3.47Å |
| 281 | I | 96.9 | Very high | 97 | Very high | 94 Ų | 94 | 27.5 Ų | 27.5 | 48% | 0.482 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 122.2 | -177.8 | -64.7 | 159.6 | 0 | 0 | 0 | 108.6 | F18 A285 K286 | F18-I281 HydrophobicContact CB-CG2 3.52Å; F18-I281 HydrophobicContact CD1-CD1 3.51Å; F18-I281 HydrophobicContact CD1-CG1 4.07Å; F18-I281 HydrophobicContact CD1-CG2 4.04Å; F18-I281 HydrophobicContact CD2-CG1 4.44Å; F18-I281 HydrophobicContact CD2-CG2 4.3Å; F18-I281 HydrophobicContact CE1-CD1 3.41Å; F18-I281 VanDerWaalsContact CE1-CD1 3.41Å; F18-I281 HydrophobicContact CE1-CG1 4.1Å; F18-I281 HydrophobicContact CE2-CG1 4.48Å; F18-I281 HydrophobicContact CG-CD1 4.17Å; F18-I281 HydrophobicContact CG-CG1 4.23Å; F18-I281 HydrophobicContact CG-CG2 3.7Å; F18-I281 HydrophobicContact CZ-CD1 4.01Å; F18-I281 HydrophobicContact CZ-CG1 4.31Å; I281-A285 WeakPolarHBondContact CA-O 2.93Å; I281-K286 HydrophobicContact CG1-CB 4.17Å; I281-K286 HydrophobicContact CG1-CG 4.47Å |
| 282 | L | 94.7 | Very high | 97 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 10% | 0.099 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 141 | 176.6 | 174.2 | 63.1 | 0 | 0 | 0 | 109.6 | G284 A285 M287 L289 V297 P310 | L282-G284 PolarHBondContact O-N 3.34Å; L282-A285 PolarHBondContact N-O 3.43Å; L282-A285 VanDerWaalsContact N-O 3.08Å; L282-A285 PolarHBondContact O-N 2.86Å; L282-M287 HydrophobicContact CB-CE 3.57Å; L282-M287 HydrophobicContact CD2-CE 4.29Å; L282-M287 HydrophobicContact CG-CE 4.02Å; L282-M287 WeakPolarHBondContact O-CE 3.38Å; L282-L289 HydrophobicContact CB-CD1 4.27Å; L282-L289 HydrophobicContact CB-CD2 4.3Å; L282-L289 HydrophobicContact CD2-CD1 4.27Å; L282-V297 HydrophobicContact CD1-CG2 4.08Å; L282-V297 HydrophobicContact CD2-CG1 4.09Å; L282-V297 HydrophobicContact CD2-CG2 4.43Å; L282-P310 HydrophobicContact CD2-CG 4.15Å |
| 283 | H | 93.2 | Very high | 96.9 | Very high | 24 Ų | 24 | 38.7 Ų | 38.7 | 11% | 0.111 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 34.6 | 175.8 | -58.5 | 149.9 | 0 | 0 | 0 | 114.8 | V173 N174 G196 Y309 | V173-H283 HydrophobicContact CG1-CB 4.35Å; N174-H283 PolarHBondContact OD1-NE2 3.49Å; G196-H283 WeakPolarHBondContact CA-O 3.44Å; H283-Y309 AromaticContact CE1-CE2 3.8Å; H283-Y309 AromaticContact ND1-CE2 3.62Å; H283-Y309 AromaticContact ND1-CZ 3.69Å; H283-Y309 PolarHBondContact ND1-OH 2.85Å |
| 284 | G | 94.8 | Very high | 96.9 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 6% | 0.062 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | -0.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | F18 P197 L282 | F18-G284 PolarHBondContact N-O 3.43Å; F18-G284 WeakPolarHBondContact O-CA 3.3Å; P197-G284 WeakPolarHBondContact CA-O 3.47Å; L282-G284 PolarHBondContact O-N 3.34Å |
| 285 | A | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 152.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G15 G196 I281 L282 P314 | G15-A285 WeakPolarHBondContact O-CA 3.44Å; G196-A285 WeakPolarHBondContact O-CB 3.44Å; I281-A285 WeakPolarHBondContact CA-O 2.93Å; L282-A285 PolarHBondContact N-O 3.43Å; L282-A285 VanDerWaalsContact N-O 3.08Å; L282-A285 PolarHBondContact O-N 2.86Å; A285-P314 HydrophobicContact CB-CG 4.45Å |
| 286 | K | 98.4 | Very high | 96.5 | Very high | 49 Ų | 49 | 49.3 Ų | 49.3 | 21% | 0.213 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 125.6 | 166.7 | -177.5 | 173.1 | 168 | -162.6 | 0 | 110 | E13 Y14 G15 F18 V279 G280 I281 | E13-K286 WeakPolarHBondContact O-CD 3.41Å; E13-K286 WeakPolarHBondContact OE2-CE 3.46Å; E13-K286 IonicContact OE2-NZ 3.61Å; E13-K286 PolarHBondContact OE2-NZ 3.14Å; Y14-K286 CarbonylContact C-O 3.51Å; Y14-K286 WeakPolarHBondContact CA-O 3.38Å; G15-K286 PolarHBondContact N-O 2.84Å; G15-K286 PolarHBondContact O-N 3.49Å; F18-K286 HydrophobicContact CD2-CB 4.38Å; F18-K286 HydrophobicContact CE2-CB 3.67Å; F18-K286 HydrophobicContact CZ-CB 4.16Å; V279-K286 HydrophobicContact CG1-CD 4.28Å; V279-K286 HydrophobicContact CG1-CG 3.98Å; G280-K286 CarbonylContact O-C 3.55Å; G280-K286 VanDerWaalsContact O-CA 3.26Å; G280-K286 WeakPolarHBondContact O-CA 3.44Å; I281-K286 HydrophobicContact CG1-CB 4.17Å; I281-K286 HydrophobicContact CG1-CG 4.47Å |
| 287 | M | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 173.5 | -175 | 57.4 | -164.3 | 166.4 | 0 | 0 | 111.1 | L195 V279 G280 L282 I312 | L195-M287 HydrophobicContact CD2-CE 4.28Å; L195-M287 HydrophobicContact CD2-SD 3.65Å; V279-M287 WeakPolarHBondContact CA-O 3.32Å; G280-M287 PolarHBondContact N-O 2.88Å; G280-M287 PolarHBondContact O-N 3.16Å; G280-M287 VanDerWaalsContact O-O 3.11Å; L282-M287 HydrophobicContact CB-CE 3.57Å; L282-M287 HydrophobicContact CD2-CE 4.29Å; L282-M287 HydrophobicContact CG-CE 4.02Å; L282-M287 WeakPolarHBondContact O-CE 3.38Å; M287-I312 WeakPolarHBondContact CB-O 3.05Å; M287-I312 WeakPolarHBondContact CG-O 3.42Å |
| 288 | H | 98.5 | Very high | 96.2 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 136.5 | 161.4 | -72.9 | 85.9 | 0 | 0 | 0 | 110.5 | Y14 I274 S278 I312 S317 D321 | Y14-H288 AromaticContact CE1-ND1 3.95Å; Y14-H288 AromaticContact CZ-CE1 3.73Å; Y14-H288 PolarHBondContact OH-CE1 3.01Å; I274-H288 HydrophobicContact CD1-CB 3.92Å; S278-H288 WeakPolarHBondContact O-CA 3.47Å; H288-I312 HydrophobicContact CB-CG2 3.89Å; H288-I312 PolarHBondContact O-N 2.9Å; H288-S317 PolarHBondContact N-OG 2.85Å; H288-S317 WeakPolarHBondContact ND1-CB 3.41Å; H288-S317 PolarHBondContact ND1-OG 3.33Å; H288-D321 IonicContact CE1-OD1 2.69Å; H288-D321 PolarHBondContact CE1-OD1 3.48Å |
| 289 | L | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 160.4 | 171.9 | 66.5 | 133.2 | 0 | 0 | 0 | 112.3 | G277 S278 G280 L282 Q291 V297 P310 | G277-L289 CarbonylContact C-O 3.58Å; G277-L289 WeakPolarHBondContact CA-O 3.28Å; S278-L289 PolarHBondContact N-O 3.34Å; S278-L289 PolarHBondContact O-N 3.05Å; G280-L289 VanDerWaalsContact CA-CD2 3.47Å; L282-L289 HydrophobicContact CB-CD1 4.27Å; L282-L289 HydrophobicContact CB-CD2 4.3Å; L282-L289 HydrophobicContact CD2-CD1 4.27Å; L289-Q291 HydrophobicContact CD1-CB 3.99Å; L289-Q291 HydrophobicContact CD1-CG 4.39Å; L289-Q291 HydrophobicContact CG-CG 4.43Å; L289-Q291 PolarHBondContact O-N 2.89Å; L289-V297 HydrophobicContact CD1-CB 4.48Å; L289-V297 HydrophobicContact CD1-CG1 4.3Å; L289-V297 HydrophobicContact CD1-CG2 3.8Å; L289-P310 CarbonylContact C-O 3.55Å; L289-P310 WeakPolarHBondContact CA-O 3.36Å; L289-P310 WeakPolarHBondContact CB-O 3.03Å |
| 290 | L | 97.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | trans | -74.9 | 112.4 | 170.9 | -55.6 | -176.3 | 0 | 0 | 0 | 109.2 | H270 K276 L298 A300 P310 | H270-L290 VanDerWaalsContact O-CD1 3.31Å; H270-L290 WeakPolarHBondContact O-CD1 3.38Å; K276-L290 HydrophobicContact CB-CD2 4.29Å; L290-L298 HydrophobicContact CB-CB 4.08Å; L290-L298 PolarHBondContact O-N 3.49Å; L290-A300 HydrophobicContact CD1-CB 4.44Å; L290-P310 HydrophobicContact CB-CB 4.18Å; L290-P310 PolarHBondContact N-O 3.4Å | ||
| 291 | Q | 96.5 | Very high | 95.4 | Very high | 38 Ų | 38 | 52.9 Ų | 52.9 | 18% | 0.178 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -147.2 | 156.7 | 178 | 61.1 | -173.7 | -18.6 | 0 | 0 | 110.5 | S278 V279 L289 Q296 | S278-Q291 PolarHBondContact O-NE2 3.03Å; S278-Q291 VanDerWaalsContact OG-CG 3.27Å; S278-Q291 WeakPolarHBondContact OG-CG 3.32Å; S278-Q291 PolarHBondContact OG-NE2 3.45Å; V279-Q291 PolarHBondContact O-NE2 3.27Å; L289-Q291 HydrophobicContact CD1-CB 3.99Å; L289-Q291 HydrophobicContact CD1-CG 4.39Å; L289-Q291 HydrophobicContact CG-CG 4.43Å; L289-Q291 PolarHBondContact O-N 2.89Å; Q291-Q296 CarbonylContact C-O 3.59Å; Q291-Q296 WeakPolarHBondContact CA-O 3.27Å; Q291-Q296 WeakPolarHBondContact CB-O 3.26Å |
| 292 | D | 95.6 | Very high | 95.2 | Very high | 60 Ų | 60 | 48.6 Ų | 48.6 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | trans | -85.1 | -179.6 | 172.3 | 66 | 19.5 | 0 | 0 | 0 | 112.7 | D294 G295 Q296 L298 | D292-D294 PolarHBondContact O-N 2.96Å; D292-D294 WeakPolarHBondContact OD1-CA 3.48Å; D292-D294 PolarHBondContact OD1-N 3.31Å; D292-G295 PolarHBondContact O-N 3.14Å; D292-G295 PolarHBondContact OD1-N 3.38Å; D292-G295 VanDerWaalsContact OD1-N 3.14Å; D292-Q296 PolarHBondContact N-O 3.48Å; D292-Q296 WeakPolarHBondContact OD1-CB 3.19Å; D292-Q296 PolarHBondContact OD1-N 2.78Å; D292-Q296 WeakPolarHBondContact OD2-CB 3.31Å; D292-L298 HydrophobicContact CB-CD2 4.25Å | ||
| 293 | D | 95.1 | Very high | 95.1 | Very high | 177 Ų | 177 | 48.5 Ų | 48.5 | 95% | 0.947 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19.1 | -178.6 | -64.9 | -28.6 | 0 | 0 | 0 | 113.2 | G295 | D293-G295 VanDerWaalsContact C-N 3.32Š|
| 294 | D | 96.4 | Very high | 95 | Very high | 141 Ų | 141 | 47.4 Ų | 47.4 | 75% | 0.754 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 4.2 | 175.3 | -69.1 | -40.5 | 0 | 0 | 0 | 112.1 | D292 Q296 | D292-D294 PolarHBondContact O-N 2.96Å; D292-D294 WeakPolarHBondContact OD1-CA 3.48Å; D292-D294 PolarHBondContact OD1-N 3.31Å; D294-Q296 VanDerWaalsContact C-N 3.28Å; D294-Q296 HydrophobicContact CB-CG 4.33Å; D294-Q296 PolarHBondContact O-N 2.99Å; D294-Q296 PolarHBondContact O-NE2 2.93Å |
| 295 | G | 94.1 | Very high | 94.5 | Very high | 38 Ų | 38 | 47.8 Ų | 47.8 | 39% | 0.392 | 26% | 0.255 | S | S | . | . | trans | 72.4 | 17.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D292 D293 | D292-G295 PolarHBondContact O-N 3.14Å; D292-G295 PolarHBondContact OD1-N 3.38Å; D292-G295 VanDerWaalsContact OD1-N 3.14Å; D293-G295 VanDerWaalsContact C-N 3.32Å | ||
| 296 | Q | 95.1 | Very high | 94.1 | Very high | 120 Ų | 120 | 49.3 Ų | 49.3 | 56% | 0.561 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 130.7 | 173.5 | -53.6 | -54.9 | -56.1 | 0 | 0 | 109.6 | Q291 D292 D294 L298 | Q291-Q296 CarbonylContact C-O 3.59Å; Q291-Q296 WeakPolarHBondContact CA-O 3.27Å; Q291-Q296 WeakPolarHBondContact CB-O 3.26Å; D292-Q296 PolarHBondContact N-O 3.48Å; D292-Q296 WeakPolarHBondContact OD1-CB 3.19Å; D292-Q296 PolarHBondContact OD1-N 2.78Å; D292-Q296 WeakPolarHBondContact OD2-CB 3.31Å; D294-Q296 VanDerWaalsContact C-N 3.28Å; D294-Q296 HydrophobicContact CB-CG 4.33Å; D294-Q296 PolarHBondContact O-N 2.99Å; D294-Q296 PolarHBondContact O-NE2 2.93Å; Q296-L298 PolarHBondContact O-N 2.93Å |
| 297 | V | 93.5 | Very high | 93.8 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 29% | 0.285 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | -66.4 | 122.9 | 179.6 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | L282 L289 P310 | L282-V297 HydrophobicContact CD1-CG2 4.08Å; L282-V297 HydrophobicContact CD2-CG1 4.09Å; L282-V297 HydrophobicContact CD2-CG2 4.43Å; L289-V297 HydrophobicContact CD1-CB 4.48Å; L289-V297 HydrophobicContact CD1-CG1 4.3Å; L289-V297 HydrophobicContact CD1-CG2 3.8Å; V297-P310 HydrophobicContact CG1-CB 3.97Å; V297-P310 HydrophobicContact CG1-CG 3.75Å |
| 298 | L | 93.4 | Very high | 93.4 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 38% | 0.382 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 151.6 | 175.5 | -63.6 | 175.6 | 0 | 0 | 0 | 110.4 | L290 D292 Q296 A300 P310 | L290-L298 HydrophobicContact CB-CB 4.08Å; L290-L298 PolarHBondContact O-N 3.49Å; D292-L298 HydrophobicContact CB-CD2 4.25Å; Q296-L298 PolarHBondContact O-N 2.93Å; L298-A300 PolarHBondContact O-N 3.34Å; L298-P310 WeakPolarHBondContact O-CB 3.21Å |
| 299 | E | 90.5 | Very high | 93.1 | Very high | 127 Ų | 127 | 47.7 Ų | 47.7 | 59% | 0.593 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 128.9 | 172 | -67 | -177.4 | 174.1 | 0 | 0 | 109.4 | S166 | S166-E299 WeakPolarHBondContact CB-OE1 3.33Š|
| 300 | A | 92.5 | Very high | 92.9 | Very high | 16 Ų | 16 | 48 Ų | 48 | 13% | 0.132 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 161.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | H270 A271 L290 L298 D308 P310 | H270-A300 WeakPolarHBondContact O-CA 3.42Å; A271-A300 HydrophobicContact CB-CB 3.86Å; L290-A300 HydrophobicContact CD1-CB 4.44Å; L298-A300 PolarHBondContact O-N 3.34Å; A300-D308 VanDerWaalsContact CB-OD1 3.26Å; A300-D308 WeakPolarHBondContact CB-OD1 3.41Å; A300-D308 VanDerWaalsContact O-OD1 3.05Å; A300-P310 HydrophobicContact CB-CB 4.11Å |
| 301 | F | 93.7 | Very high | 92.8 | Very high | 58 Ų | 58 | 47.8 Ų | 47.8 | 25% | 0.254 | 27% | 0.266 | S | S | . | . | trans | -146.2 | 137.1 | 170.4 | 179.9 | -88.6 | 0 | 0 | 0 | 111.2 | H263 E269 H270 A271 D308 D332 | H263-F301 AromaticContact CD2-CE1 3.67Å; H263-F301 AromaticContact CE1-CE1 3.52Å; H263-F301 AromaticContact CE1-CZ 3.57Å; H263-F301 AromaticContact ND1-CE1 3.94Å; H263-F301 AromaticContact NE2-CE1 3.35Å; H263-F301 WeakPolarHBondContact NE2-CE1 3.35Å; H263-F301 AromaticContact NE2-CZ 3.54Å; E269-F301 HydrophobicContact CB-CB 4Å; E269-F301 HydrophobicContact CB-CD1 3.88Å; E269-F301 HydrophobicContact CB-CG 3.99Å; H270-F301 CarbonylContact C-O 3.52Å; H270-F301 WeakPolarHBondContact CA-O 3.39Å; H270-F301 PolarHBondContact O-N 2.66Å; H270-F301 VanDerWaalsContact O-N 3.11Å; A271-F301 PolarHBondContact N-O 2.99Å; F301-D308 WeakPolarHBondContact CA-OD1 3.31Å; F301-D308 PolarHBondContact N-OD1 3.48Å; F301-D332 WeakPolarHBondContact CE1-OD2 3.34Å | ||
| 302 | S | 93.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | trans | -158.5 | 152.8 | 165.4 | 177.5 | 0 | 0 | 0 | 0 | 109.5 | A260 S304 D332 | A260-S302 WeakPolarHBondContact CB-OG 3.39Å; S302-S304 PolarHBondContact O-N 3.34Å; S302-S304 PolarHBondContact OG-N 3.35Å; S302-D332 PolarHBondContact OG-OD1 2.89Å | ||
| 303 | I | 92.5 | Very high | 93 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 9% | 0.092 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -57.2 | -30.1 | 165.2 | -169.4 | 167.5 | 0 | 0 | 0 | 112.1 | D332 V336 L352 Q388 | I303-D332 HydrophobicContact CB-CB 4.11Å; I303-D332 HydrophobicContact CG2-CB 3.86Å; I303-D332 WeakPolarHBondContact CG2-OD1 3.26Å; I303-D332 VanDerWaalsContact N-CG 3.34Å; I303-D332 PolarHBondContact N-OD1 2.91Å; I303-D332 PolarHBondContact N-OD2 2.91Å; I303-V336 HydrophobicContact CD1-CG2 3.97Å; I303-L352 HydrophobicContact CD1-CD1 4.31Å; I303-L352 HydrophobicContact CG1-CD1 4.1Å; I303-L352 HydrophobicContact CG2-CD1 4.44Å; I303-Q388 PolarHBondContact O-NE2 3.38Å; I303-Q388 PolarHBondContact O-OE1 3.13Å |
| 304 | S | 91.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -92.2 | 101.5 | -176.8 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | S302 G306 L307 D308 E353 | S302-S304 PolarHBondContact O-N 3.34Å; S302-S304 PolarHBondContact OG-N 3.35Å; S304-G306 PolarHBondContact O-N 2.83Å; S304-L307 PolarHBondContact O-N 3.47Å; S304-D308 PolarHBondContact O-N 2.89Å; S304-E353 WeakPolarHBondContact OG-CA 3.43Å; S304-E353 WeakPolarHBondContact OG-CG 3.11Å; S304-E353 PolarHBondContact OG-N 2.98Å; S304-E353 PolarHBondContact OG-OE1 3.25Å |
| 305 | A | 85.3 | Confident | 93.3 | Very high | 15 Ų | 15 | 28 Ų | 28 | 12% | 0.124 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -25.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A115 L307 | A115-A305 HydrophobicContact CB-CB 3.94Å; A305-L307 VanDerWaalsContact C-N 3.33Å |
| 306 | G | 87.1 | Confident | 93.5 | Very high | 31 Ų | 31 | 26.2 Ų | 26.2 | 32% | 0.32 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -12.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S304 E353 | S304-G306 PolarHBondContact O-N 2.83Å; G306-E353 WeakPolarHBondContact CA-OE1 3.14Å; G306-E353 PolarHBondContact N-OE1 3.07Å; G306-E353 VanDerWaalsContact N-OE1 3.14Å |
| 307 | L | 92.2 | Very high | 93.7 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -12.1 | 174.7 | -55.2 | -175.5 | 0 | 0 | 0 | 112.3 | C233 G235 A260 A271 S304 A305 Y309 E353 H356 | C233-L307 HydrophobicContact CB-CD1 4.41Å; C233-L307 HydrophobicContact CB-CD2 4.18Å; G235-L307 VanDerWaalsContact N-CD2 3.35Å; A260-L307 HydrophobicContact CB-CB 3.8Å; A260-L307 HydrophobicContact CB-CD1 3.95Å; A271-L307 WeakPolarHBondContact CB-O 3.23Å; S304-L307 PolarHBondContact O-N 3.47Å; A305-L307 VanDerWaalsContact C-N 3.33Å; L307-Y309 VanDerWaalsContact C-N 3.26Å; L307-Y309 PolarHBondContact O-N 2.89Å; L307-E353 HydrophobicContact CD2-CB 4.17Å; L307-E353 HydrophobicContact CD2-CG 4.16Å; L307-E353 HydrophobicContact CG-CB 4.19Å; L307-E353 HydrophobicContact CG-CG 4.05Å; L307-H356 HydrophobicContact CD1-CB 4.01Å |
| 308 | D | 90.6 | Very high | 93.9 | Very high | 25 Ų | 25 | 19.6 Ų | 19.6 | 13% | 0.134 | 11% | 0.108 | C | C | . | . | trans | -74.3 | 73.3 | -179.5 | -166.4 | 7.8 | 0 | 0 | 0 | 112 | A300 F301 S304 | A300-D308 VanDerWaalsContact CB-OD1 3.26Å; A300-D308 WeakPolarHBondContact CB-OD1 3.41Å; A300-D308 VanDerWaalsContact O-OD1 3.05Å; F301-D308 WeakPolarHBondContact CA-OD1 3.31Å; F301-D308 PolarHBondContact N-OD1 3.48Å; S304-D308 PolarHBondContact O-N 2.89Å | ||
| 309 | Y | 91.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 16.1 Ų | 16.1 | 2% | 0.024 | 9% | 0.09 | C | C | . | . | trans | -145 | 133.3 | 180 | -179.8 | -106.4 | 0 | 0 | 0 | 110.2 | L169 L195 H283 L307 G311 | L169-Y309 HydrophobicContact CD2-CD2 4.29Å; L195-Y309 HydrophobicContact CD1-CD1 3.82Å; L195-Y309 HydrophobicContact CD1-CE1 3.33Å; L195-Y309 HydrophobicContact CD1-CE2 4.38Å; L195-Y309 HydrophobicContact CD2-CE1 3.68Å; L195-Y309 HydrophobicContact CG-CE1 4.17Å; H283-Y309 AromaticContact CE1-CE2 3.8Å; H283-Y309 AromaticContact ND1-CE2 3.62Å; H283-Y309 AromaticContact ND1-CZ 3.69Å; H283-Y309 PolarHBondContact ND1-OH 2.85Å; L307-Y309 VanDerWaalsContact C-N 3.26Å; L307-Y309 PolarHBondContact O-N 2.89Å; Y309-G311 VanDerWaalsContact C-N 3.29Å; Y309-G311 WeakPolarHBondContact CD1-O 3.44Å; Y309-G311 VanDerWaalsContact CE1-C 3.47Å; Y309-G311 VanDerWaalsContact CE1-CA 3.47Å; Y309-G311 WeakPolarHBondContact CE1-O 3.39Å; Y309-G311 PolarHBondContact O-N 3.37Å | ||
| 310 | P | 94 | Very high | 94.5 | Very high | 6 Ų | 6 | 13.2 Ų | 13.2 | 4% | 0.039 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -81.8 | 1 | -170.7 | 32.5 | -38.1 | 0 | 0 | 0 | 114.6 | S273 L282 L289 L290 V297 L298 A300 | S273-P310 PolarHBondContact OG-O 2.87Å; S273-P310 VanDerWaalsContact OG-O 3.07Å; L282-P310 HydrophobicContact CD2-CG 4.15Å; L289-P310 CarbonylContact C-O 3.55Å; L289-P310 WeakPolarHBondContact CA-O 3.36Å; L289-P310 WeakPolarHBondContact CB-O 3.03Å; L290-P310 HydrophobicContact CB-CB 4.18Å; L290-P310 PolarHBondContact N-O 3.4Å; V297-P310 HydrophobicContact CG1-CB 3.97Å; V297-P310 HydrophobicContact CG1-CG 3.75Å; L298-P310 WeakPolarHBondContact O-CB 3.21Å; A300-P310 HydrophobicContact CB-CB 4.11Å |
| 311 | G | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | B | Isolated β-bridge | trans | -126 | -178.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S273 Y309 | S273-G311 VanDerWaalsContact OG-C 3.31Å; S273-G311 WeakPolarHBondContact OG-CA 3.35Å; S273-G311 PolarHBondContact OG-N 2.92Å; S273-G311 PolarHBondContact OG-O 3.39Å; Y309-G311 VanDerWaalsContact C-N 3.29Å; Y309-G311 WeakPolarHBondContact CD1-O 3.44Å; Y309-G311 VanDerWaalsContact CE1-C 3.47Å; Y309-G311 VanDerWaalsContact CE1-CA 3.47Å; Y309-G311 WeakPolarHBondContact CE1-O 3.39Å; Y309-G311 PolarHBondContact O-N 3.37Å |
| 312 | I | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -142.6 | 150.2 | 176.3 | -165 | 179.4 | 0 | 0 | 0 | 110.9 | V234 I274 M287 H288 H316 S317 Y327 | V234-I312 HydrophobicContact CG1-CD1 3.47Å; V234-I312 VanDerWaalsContact CG1-CD1 3.47Å; V234-I312 HydrophobicContact CG1-CG1 3.72Å; I274-I312 HydrophobicContact CD1-CD1 4.05Å; I274-I312 HydrophobicContact CD1-CG2 3.79Å; I274-I312 HydrophobicContact CG1-CD1 3.44Å; I274-I312 VanDerWaalsContact CG1-CD1 3.44Å; I274-I312 HydrophobicContact CG1-CG2 4.07Å; M287-I312 WeakPolarHBondContact CB-O 3.05Å; M287-I312 WeakPolarHBondContact CG-O 3.42Å; H288-I312 HydrophobicContact CB-CG2 3.89Å; H288-I312 PolarHBondContact O-N 2.9Å; I312-H316 HydrophobicContact CD1-CB 3.61Å; I312-H316 HydrophobicContact CG1-CB 3.77Å; I312-S317 WeakPolarHBondContact CG2-OG 3.28Å; I312-Y327 HydrophobicContact CD1-CD1 4.28Å; I312-Y327 HydrophobicContact CD1-CE1 3.83Å | ||
| 313 | G | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -49.6 | 140.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V194 G236 E315 H316 S317 | V194-G313 WeakPolarHBondContact O-CA 3.32Å; G236-G313 PolarHBondContact O-N 3.06Å; G313-E315 VanDerWaalsContact C-N 3.27Å; G313-E315 PolarHBondContact O-N 2.87Å; G313-H316 WeakPolarHBondContact O-CA 3.1Å; G313-H316 VanDerWaalsContact O-CB 3.31Å; G313-H316 WeakPolarHBondContact O-CB 3.28Å; G313-H316 PolarHBondContact O-N 2.81Å; G313-S317 PolarHBondContact O-N 3Å; G313-S317 VanDerWaalsContact O-N 3.12Å | ||
| 314 | P | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.4 | -32.9 | -175.4 | 23.8 | -34 | 0 | 0 | 0 | 113.2 | Y11 Y14 G15 V194 P201 A285 H316 S317 F318 | Y11-P314 HydrophobicContact CD2-CB 4.09Å; Y11-P314 HydrophobicContact CD2-CG 4.11Å; Y11-P314 HydrophobicContact CE2-CG 4.1Å; Y14-P314 WeakPolarHBondContact CB-O 3.44Å; G15-P314 VanDerWaalsContact CA-CB 3.4Å; V194-P314 WeakPolarHBondContact O-CD 3.48Å; P201-P314 HydrophobicContact CB-CG 4.02Å; P201-P314 HydrophobicContact CG-CG 3.79Å; A285-P314 HydrophobicContact CB-CG 4.45Å; P314-H316 VanDerWaalsContact C-N 3.32Å; P314-H316 PolarHBondContact O-N 2.82Å; P314-S317 WeakPolarHBondContact O-CB 3.47Å; P314-S317 PolarHBondContact O-N 2.82Å; P314-F318 PolarHBondContact O-N 3.43Å |
| 315 | E | 98.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.9 | -34.3 | 174.9 | -169.6 | 174 | -150.1 | 0 | 0 | 111.7 | Y2 Y11 R205 M241 G313 F318 L319 | Y2-E315 WeakPolarHBondContact CE1-OE1 3.17Å; Y2-E315 WeakPolarHBondContact OH-CG 3.47Å; Y2-E315 PolarHBondContact OH-OE1 2.78Å; Y11-E315 HydrophobicContact CD1-CB 3.58Å; Y11-E315 HydrophobicContact CD1-CG 3.47Å; Y11-E315 VanDerWaalsContact CD1-CG 3.47Å; Y11-E315 HydrophobicContact CD2-CB 4.27Å; Y11-E315 HydrophobicContact CE1-CB 3.61Å; Y11-E315 VanDerWaalsContact CE1-CD 3.41Å; Y11-E315 HydrophobicContact CE1-CG 3.52Å; Y11-E315 WeakPolarHBondContact CE1-OE1 3.5Å; Y11-E315 HydrophobicContact CE2-CB 4.28Å; Y11-E315 HydrophobicContact CG-CB 3.95Å; Y11-E315 HydrophobicContact CG-CG 4.28Å; R205-E315 WeakPolarHBondContact CD-OE1 3.38Å; R205-E315 WeakPolarHBondContact CD-OE2 3.46Å; R205-E315 IonicContact CZ-OE1 2.74Å; R205-E315 IonicContact NE-OE1 3.66Å; R205-E315 IonicContact NH1-OE1 3.76Å; R205-E315 PolarHBondContact NH1-OE1 2.96Å; M241-E315 HydrophobicContact CE-CB 3.65Å; M241-E315 HydrophobicContact CE-CG 3.54Å; M241-E315 WeakPolarHBondContact CG-OE2 3.46Å; M241-E315 HydrophobicContact SD-CB 4.47Å; M241-E315 VanDerWaalsContact SD-CD 3.53Å; M241-E315 HydrophobicContact SD-CG 3.81Å; M241-E315 VanDerWaalsContact SD-OE2 3.39Å; G313-E315 VanDerWaalsContact C-N 3.27Å; G313-E315 PolarHBondContact O-N 2.87Å; E315-F318 PolarHBondContact O-N 3.4Å; E315-L319 HydrophobicContact CG-CD1 4.34Å; E315-L319 WeakPolarHBondContact O-CB 3.39Å; E315-L319 VanDerWaalsContact O-CG 3.23Å; E315-L319 WeakPolarHBondContact O-CG 3.27Å; E315-L319 PolarHBondContact O-N 3.29Å |
| 316 | H | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 171.8 | -80.9 | -71.9 | 0 | 0 | 0 | 111.8 | G237 M241 I312 G313 P314 F318 L319 H320 Y327 | G237-H316 WeakPolarHBondContact CA-NE2 3.42Å; G237-H316 PolarHBondContact O-NE2 3.23Å; M241-H316 HydrophobicContact CE-CB 4.32Å; I312-H316 HydrophobicContact CD1-CB 3.61Å; I312-H316 HydrophobicContact CG1-CB 3.77Å; G313-H316 WeakPolarHBondContact O-CA 3.1Å; G313-H316 VanDerWaalsContact O-CB 3.31Å; G313-H316 WeakPolarHBondContact O-CB 3.28Å; G313-H316 PolarHBondContact O-N 2.81Å; P314-H316 VanDerWaalsContact C-N 3.32Å; P314-H316 PolarHBondContact O-N 2.82Å; H316-F318 VanDerWaalsContact C-N 3.34Å; H316-F318 PolarHBondContact O-N 2.94Å; H316-L319 PolarHBondContact O-N 3.23Å; H316-H320 WeakPolarHBondContact O-CB 3.03Å; H316-H320 PolarHBondContact O-N 3.18Å; H316-Y327 WeakPolarHBondContact CA-OH 3.44Å; H316-Y327 HydrophobicContact CB-CE1 4.27Å; H316-Y327 WeakPolarHBondContact CB-OH 3.39Å; H316-Y327 VanDerWaalsContact CG-OH 3.32Å; H316-Y327 AromaticContact ND1-CE1 3.65Å; H316-Y327 AromaticContact ND1-CZ 3.63Å; H316-Y327 PolarHBondContact ND1-OH 2.79Å; H316-Y327 PolarHBondContact O-OH 3.01Å |
| 317 | S | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 174.5 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | H288 I312 G313 P314 H320 D321 | H288-S317 PolarHBondContact N-OG 2.85Å; H288-S317 WeakPolarHBondContact ND1-CB 3.41Å; H288-S317 PolarHBondContact ND1-OG 3.33Å; I312-S317 WeakPolarHBondContact CG2-OG 3.28Å; G313-S317 PolarHBondContact O-N 3Å; G313-S317 VanDerWaalsContact O-N 3.12Å; P314-S317 WeakPolarHBondContact O-CB 3.47Å; P314-S317 PolarHBondContact O-N 2.82Å; S317-H320 WeakPolarHBondContact O-CB 3.38Å; S317-H320 PolarHBondContact O-N 2.77Å; S317-D321 PolarHBondContact O-N 3.18Å; S317-D321 VanDerWaalsContact O-N 3.15Å |
| 318 | F | 98.6 | Very high | 97.3 | Very high | 29 Ų | 29 | 26.8 Ų | 26.8 | 13% | 0.127 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.4 | -47.4 | 176.5 | 174.2 | -114.7 | 0 | 0 | 0 | 112.8 | Y2 E4 Y11 Y14 P314 E315 H316 H320 D321 I322 | Y2-F318 HydrophobicContact CE2-CD1 4.39Å; Y2-F318 AromaticContact CE2-CE1 3.85Å; Y2-F318 HydrophobicContact CE2-CE1 3.85Å; E4-F318 HydrophobicContact CG-CD1 4.24Å; E4-F318 HydrophobicContact CG-CE1 3.68Å; E4-F318 HydrophobicContact CG-CZ 4.24Å; Y11-F318 WeakPolarHBondContact O-CB 3.34Å; Y14-F318 HydrophobicContact CD2-CB 3.88Å; P314-F318 PolarHBondContact O-N 3.43Å; E315-F318 PolarHBondContact O-N 3.4Å; H316-F318 VanDerWaalsContact C-N 3.34Å; H316-F318 PolarHBondContact O-N 2.94Å; F318-H320 VanDerWaalsContact C-N 3.25Å; F318-H320 PolarHBondContact O-N 3.05Å; F318-D321 PolarHBondContact O-N 3.27Å; F318-I322 HydrophobicContact CD1-CD1 4.47Å; F318-I322 HydrophobicContact CD2-CG2 4.08Å; F318-I322 HydrophobicContact CE1-CD1 3.89Å; F318-I322 HydrophobicContact CE2-CG2 3.58Å; F318-I322 HydrophobicContact CZ-CD1 3.98Å; F318-I322 HydrophobicContact CZ-CG2 3.92Å; F318-I322 PolarHBondContact O-N 2.71Å; F318-I322 VanDerWaalsContact O-N 3.16Å |
| 319 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.7 | -27.8 | -179.2 | -69.9 | 176.8 | 0 | 0 | 0 | 112.8 | Y2 M241 I248 E315 H316 I322 R324 V325 | Y2-L319 HydrophobicContact CE2-CD2 3.83Å; M241-L319 HydrophobicContact CE-CD1 3.83Å; M241-L319 HydrophobicContact SD-CD1 3.84Å; I248-L319 HydrophobicContact CD1-CD1 3.94Å; I248-L319 HydrophobicContact CD1-CD2 4.39Å; I248-L319 HydrophobicContact CG1-CD1 4.4Å; I248-L319 HydrophobicContact CG2-CD2 4.37Å; E315-L319 HydrophobicContact CG-CD1 4.34Å; E315-L319 WeakPolarHBondContact O-CB 3.39Å; E315-L319 VanDerWaalsContact O-CG 3.23Å; E315-L319 WeakPolarHBondContact O-CG 3.27Å; E315-L319 PolarHBondContact O-N 3.29Å; H316-L319 PolarHBondContact O-N 3.23Å; L319-I322 HydrophobicContact CD2-CD1 4.13Å; L319-R324 HydrophobicContact CD2-CB 4.04Å; L319-R324 HydrophobicContact CD2-CG 4.02Å; L319-R324 PolarHBondContact O-N 3.07Å; L319-V325 HydrophobicContact CB-CB 4.1Å; L319-V325 HydrophobicContact CB-CG2 3.69Å; L319-V325 HydrophobicContact CD1-CG2 3.84Å; L319-V325 HydrophobicContact CG-CG2 4.32Å; L319-V325 PolarHBondContact O-N 3.1Å; L319-V325 VanDerWaalsContact O-N 3.1Å |
| 320 | H | 98.4 | Very high | 98 | Very high | 65 Ų | 65 | 26.1 Ų | 26.1 | 30% | 0.301 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.9 | -55.1 | 169.6 | 175.8 | 56.7 | 0 | 0 | 0 | 110.9 | I274 H316 S317 F318 I322 G323 Y327 | I274-H320 HydrophobicContact CD1-CB 4Å; I274-H320 HydrophobicContact CG2-CB 4.31Å; I274-H320 VanDerWaalsContact CG2-CE1 3.5Å; I274-H320 WeakPolarHBondContact CG2-CE1 3.5Å; I274-H320 WeakPolarHBondContact CG2-ND1 3.4Å; H316-H320 WeakPolarHBondContact O-CB 3.03Å; H316-H320 PolarHBondContact O-N 3.18Å; S317-H320 WeakPolarHBondContact O-CB 3.38Å; S317-H320 PolarHBondContact O-N 2.77Å; F318-H320 VanDerWaalsContact C-N 3.25Å; F318-H320 PolarHBondContact O-N 3.05Å; H320-I322 VanDerWaalsContact C-N 3.31Å; H320-I322 PolarHBondContact O-N 3Å; H320-G323 WeakPolarHBondContact O-CA 3.39Å; H320-G323 PolarHBondContact O-N 3.29Å; H320-Y327 HydrophobicContact CB-CD2 3.92Å; H320-Y327 HydrophobicContact CB-CE2 3.55Å; H320-Y327 AromaticContact ND1-CD2 3.73Å |
| 321 | D | 97.8 | Very high | 98.3 | Very high | 78 Ų | 78 | 28.1 Ų | 28.1 | 42% | 0.417 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.6 | -35.7 | -173.2 | -80.3 | 20.5 | 0 | 0 | 0 | 113.6 | Y14 H288 S317 F318 G323 | Y14-D321 HydrophobicContact CE2-CB 4.35Å; Y14-D321 WeakPolarHBondContact CE2-OD2 3.28Å; Y14-D321 VanDerWaalsContact CZ-OD2 3.22Å; Y14-D321 VanDerWaalsContact OH-CG 3.23Å; Y14-D321 PolarHBondContact OH-OD1 3.11Å; Y14-D321 PolarHBondContact OH-OD2 3.21Å; H288-D321 IonicContact CE1-OD1 2.69Å; H288-D321 PolarHBondContact CE1-OD1 3.48Å; S317-D321 PolarHBondContact O-N 3.18Å; S317-D321 VanDerWaalsContact O-N 3.15Å; F318-D321 PolarHBondContact O-N 3.27Å; D321-G323 PolarHBondContact O-N 3.02Å |
| 322 | I | 97.7 | Very high | 98.4 | Very high | 96 Ų | 96 | 28.3 Ų | 28.3 | 49% | 0.492 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 0.2 | 176 | 72.4 | 173.1 | 0 | 0 | 0 | 112.9 | F318 L319 H320 R324 | F318-I322 HydrophobicContact CD1-CD1 4.47Å; F318-I322 HydrophobicContact CD2-CG2 4.08Å; F318-I322 HydrophobicContact CE1-CD1 3.89Å; F318-I322 HydrophobicContact CE2-CG2 3.58Å; F318-I322 HydrophobicContact CZ-CD1 3.98Å; F318-I322 HydrophobicContact CZ-CG2 3.92Å; F318-I322 PolarHBondContact O-N 2.71Å; F318-I322 VanDerWaalsContact O-N 3.16Å; L319-I322 HydrophobicContact CD2-CD1 4.13Å; H320-I322 VanDerWaalsContact C-N 3.31Å; H320-I322 PolarHBondContact O-N 3Å; I322-R324 VanDerWaalsContact C-N 3.32Å; I322-R324 HydrophobicContact CD1-CB 3.97Å; I322-R324 HydrophobicContact CG1-CB 3.85Å; I322-R324 PolarHBondContact O-N 3.16Å |
| 323 | G | 97.9 | Very high | 98.3 | Very high | 62 Ų | 62 | 33.2 Ų | 33.2 | 64% | 0.639 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 20 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H320 D321 | H320-G323 WeakPolarHBondContact O-CA 3.39Å; H320-G323 PolarHBondContact O-N 3.29Å; D321-G323 PolarHBondContact O-N 3.02Å |
| 324 | R | 98.4 | Very high | 98.4 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -81.4 | -35 | -178.9 | 178.3 | 58.3 | -166.1 | 109.1 | -11.7 | 112.6 | F247 I248 D250 V253 L319 I322 | F247-R324 PolarHBondContact O-NH2 3.27Å; I248-R324 HydrophobicContact CG2-CG 4.48Å; I248-R324 PolarHBondContact O-NE 2.87Å; D250-R324 PolarHBondContact O-NH2 2.98Å; V253-R324 PolarHBondContact O-NH1 2.92Å; V253-R324 PolarHBondContact O-NH2 3.19Å; L319-R324 HydrophobicContact CD2-CB 4.04Å; L319-R324 HydrophobicContact CD2-CG 4.02Å; L319-R324 PolarHBondContact O-N 3.07Å; I322-R324 VanDerWaalsContact C-N 3.32Å; I322-R324 HydrophobicContact CD1-CB 3.97Å; I322-R324 HydrophobicContact CG1-CB 3.85Å; I322-R324 PolarHBondContact O-N 3.16Å |
| 325 | V | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -119.3 | 128.7 | 178.9 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | F244 L255 L319 Y327 | F244-V325 HydrophobicContact CD2-CG1 4.32Å; F244-V325 HydrophobicContact CD2-CG2 4.33Å; F244-V325 HydrophobicContact CE2-CG1 4.01Å; L255-V325 HydrophobicContact CB-CB 4.43Å; L255-V325 HydrophobicContact CB-CG1 4.37Å; L255-V325 HydrophobicContact CB-CG2 3.86Å; L255-V325 HydrophobicContact CD1-CG2 4.07Å; L255-V325 WeakPolarHBondContact O-CA 3.23Å; L319-V325 HydrophobicContact CB-CB 4.1Å; L319-V325 HydrophobicContact CB-CG2 3.69Å; L319-V325 HydrophobicContact CD1-CG2 3.84Å; L319-V325 HydrophobicContact CG-CG2 4.32Å; L319-V325 PolarHBondContact O-N 3.1Å; L319-V325 VanDerWaalsContact O-N 3.1Å; V325-Y327 HydrophobicContact CB-CE2 3.76Å; V325-Y327 HydrophobicContact CG1-CD2 4.19Å; V325-Y327 HydrophobicContact CG1-CE1 4.12Å; V325-Y327 HydrophobicContact CG1-CE2 3.55Å; V325-Y327 WeakPolarHBondContact O-CD2 3.45Å; V325-Y327 WeakPolarHBondContact O-CE2 3.43Å |
| 326 | E | 98.6 | Very high | 98.3 | Very high | 73 Ų | 73 | 36.1 Ų | 36.1 | 34% | 0.341 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 142.5 | 171.7 | -61.7 | 166.7 | -148.3 | 0 | 0 | 108.8 | R254 L255 M256 G257 | R254-E326 IonicContact CZ-OE1 2.74Å; R254-E326 IonicContact CZ-OE2 2.77Å; R254-E326 IonicContact NE-OE1 3.99Å; R254-E326 PolarHBondContact NE-OE1 2.94Å; R254-E326 VanDerWaalsContact NE-OE1 3.07Å; R254-E326 IonicContact NE-OE2 2.59Å; R254-E326 IonicContact NH2-OE1 3.56Å; R254-E326 IonicContact NH2-OE2 2.57Å; R254-E326 PolarHBondContact NH2-OE2 3.16Å; L255-E326 PolarHBondContact O-N 3.22Å; M256-E326 CarbonylContact C-O 3.4Å; M256-E326 VanDerWaalsContact CA-O 3.26Å; M256-E326 WeakPolarHBondContact CA-O 3.39Å; M256-E326 HydrophobicContact CE-CB 4.19Å; M256-E326 WeakPolarHBondContact CE-OE2 3.3Å; G257-E326 PolarHBondContact N-O 2.86Å |
| 327 | Y | 98.7 | Very high | 98.3 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 118.7 | 175.8 | -66.9 | -94 | 0 | 0 | 0 | 110.1 | V234 G257 I274 N275 I312 H316 H320 V325 | V234-Y327 HydrophobicContact CG2-CE1 4.34Å; G257-Y327 WeakPolarHBondContact O-CA 3.14Å; I274-Y327 HydrophobicContact CB-CD1 4.47Å; I274-Y327 HydrophobicContact CB-CD2 4.46Å; I274-Y327 HydrophobicContact CB-CG 4.09Å; I274-Y327 HydrophobicContact CG1-CD1 4.07Å; I274-Y327 HydrophobicContact CG1-CD2 4.26Å; I274-Y327 HydrophobicContact CG1-CE1 4.33Å; I274-Y327 HydrophobicContact CG1-CG 4.03Å; I274-Y327 HydrophobicContact CG2-CD2 3.85Å; I274-Y327 HydrophobicContact CG2-CG 3.85Å; N275-Y327 PolarHBondContact ND2-O 2.89Å; N275-Y327 PolarHBondContact OD1-O 2.82Å; I312-Y327 HydrophobicContact CD1-CD1 4.28Å; I312-Y327 HydrophobicContact CD1-CE1 3.83Å; H316-Y327 WeakPolarHBondContact CA-OH 3.44Å; H316-Y327 HydrophobicContact CB-CE1 4.27Å; H316-Y327 WeakPolarHBondContact CB-OH 3.39Å; H316-Y327 VanDerWaalsContact CG-OH 3.32Å; H316-Y327 AromaticContact ND1-CE1 3.65Å; H316-Y327 AromaticContact ND1-CZ 3.63Å; H316-Y327 PolarHBondContact ND1-OH 2.79Å; H316-Y327 PolarHBondContact O-OH 3.01Å; H320-Y327 HydrophobicContact CB-CD2 3.92Å; H320-Y327 HydrophobicContact CB-CE2 3.55Å; H320-Y327 AromaticContact ND1-CD2 3.73Å; V325-Y327 HydrophobicContact CB-CE2 3.76Å; V325-Y327 HydrophobicContact CG1-CD2 4.19Å; V325-Y327 HydrophobicContact CG1-CE1 4.12Å; V325-Y327 HydrophobicContact CG1-CE2 3.55Å; V325-Y327 WeakPolarHBondContact O-CD2 3.45Å; V325-Y327 WeakPolarHBondContact O-CE2 3.43Å |
| 328 | E | 98.5 | Very high | 98.3 | Very high | 77 Ų | 77 | 42.5 Ų | 42.5 | 36% | 0.36 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 164.3 | 177.5 | -67.7 | -72.4 | 168.4 | 0 | 0 | 109.4 | M256 G257 V258 E259 Q360 | M256-E328 HydrophobicContact CE-CG 3.69Å; M256-E328 HydrophobicContact CG-CG 4.14Å; M256-E328 HydrophobicContact SD-CB 4.36Å; M256-E328 HydrophobicContact SD-CG 3.69Å; G257-E328 PolarHBondContact O-N 3.36Å; V258-E328 CarbonylContact C-O 3.54Å; V258-E328 WeakPolarHBondContact CA-O 3.48Å; E259-E328 PolarHBondContact N-O 3.21Å; E328-Q360 HydrophobicContact CB-CG 4.39Å |
| 329 | A | 98.4 | Very high | 98.3 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | E259 A261 L265 A272 | E259-A329 WeakPolarHBondContact O-CA 3.45Å; A261-A329 HydrophobicContact CB-CB 3.92Å; L265-A329 HydrophobicContact CD1-CB 3.82Å; L265-A329 HydrophobicContact CD2-CB 3.94Å; L265-A329 HydrophobicContact CG-CB 4.04Å; A272-A329 HydrophobicContact CB-CB 4.3Å |
| 330 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132 | -179.7 | -72.9 | -62.2 | 0 | 0 | 0 | 109.3 | V258 E259 A261 E334 A335 H356 A359 Q360 K363 | V258-I330 HydrophobicContact CG1-CB 3.95Å; V258-I330 HydrophobicContact CG1-CG1 3.45Å; V258-I330 VanDerWaalsContact CG1-CG1 3.45Å; E259-I330 PolarHBondContact O-N 3.29Å; A261-I330 WeakPolarHBondContact CB-O 3.36Å; A261-I330 PolarHBondContact N-O 3.35Å; I330-E334 HydrophobicContact CG2-CB 3.76Å; I330-A335 HydrophobicContact CG2-CB 4.13Å; I330-H356 HydrophobicContact CB-CB 4.33Å; I330-H356 WeakPolarHBondContact CG1-O 3.33Å; I330-H356 HydrophobicContact CG2-CB 4.3Å; I330-H356 PolarHBondContact O-CD2 3.43Å; I330-A359 HydrophobicContact CB-CB 4.49Å; I330-A359 HydrophobicContact CD1-CB 3.89Å; I330-A359 HydrophobicContact CG1-CB 4.07Å; I330-A359 HydrophobicContact CG2-CB 3.63Å; I330-Q360 HydrophobicContact CD1-CB 4.34Å; I330-Q360 HydrophobicContact CG1-CB 4.29Å; I330-K363 HydrophobicContact CD1-CD 4.2Å; I330-K363 VanDerWaalsContact CD1-NZ 3.27Å |
| 331 | N | 98.5 | Very high | 98.3 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 167.1 | 178.4 | 72.9 | 50.5 | 0 | 0 | 0 | 112.3 | A261 G262 E333 E334 A335 | A261-N331 HydrophobicContact CB-CB 4.22Å; G262-N331 WeakPolarHBondContact O-CA 3.46Å; G262-N331 WeakPolarHBondContact O-CB 3.42Å; N331-E333 VanDerWaalsContact C-N 3.3Å; N331-E333 PolarHBondContact O-N 3.5Å; N331-E333 PolarHBondContact OD1-N 2.95Å; N331-E334 PolarHBondContact N-OE2 3.07Å; N331-E334 VanDerWaalsContact ND2-CD 3.31Å; N331-E334 PolarHBondContact ND2-OE2 3.47Å; N331-E334 PolarHBondContact O-N 3.03Å; N331-E334 WeakPolarHBondContact OD1-CG 3.46Å; N331-E334 PolarHBondContact OD1-N 3.36Å; N331-A335 PolarHBondContact O-N 3.5Å |
| 332 | D | 97.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.6 | -32.5 | -173.9 | -73.2 | -13 | 0 | 0 | 0 | 113.2 | G262 F301 S302 I303 V336 | G262-D332 WeakPolarHBondContact CA-OD1 3.49Å; G262-D332 PolarHBondContact O-N 3.15Å; F301-D332 WeakPolarHBondContact CE1-OD2 3.34Å; S302-D332 PolarHBondContact OG-OD1 2.89Å; I303-D332 HydrophobicContact CB-CB 4.11Å; I303-D332 HydrophobicContact CG2-CB 3.86Å; I303-D332 WeakPolarHBondContact CG2-OD1 3.26Å; I303-D332 VanDerWaalsContact N-CG 3.34Å; I303-D332 PolarHBondContact N-OD1 2.91Å; I303-D332 PolarHBondContact N-OD2 2.91Å; D332-V336 VanDerWaalsContact O-CG2 3.29Å; D332-V336 WeakPolarHBondContact O-CG2 3.35Å; D332-V336 PolarHBondContact O-N 2.96Å; D332-V336 VanDerWaalsContact O-N 3.08Å |
| 333 | E | 97.4 | Very high | 98.3 | Very high | 103 Ų | 103 | 36.5 Ų | 36.5 | 48% | 0.481 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -70.5 | -45.5 | 177.4 | -64.6 | -62.1 | 168 | 0 | 0 | 110.9 | N331 A335 V336 E337 R392 | N331-E333 VanDerWaalsContact C-N 3.3Å; N331-E333 PolarHBondContact O-N 3.5Å; N331-E333 PolarHBondContact OD1-N 2.95Å; E333-A335 VanDerWaalsContact C-N 3.29Å; E333-A335 PolarHBondContact O-N 3.4Å; E333-V336 PolarHBondContact O-N 2.94Å; E333-V336 VanDerWaalsContact O-N 3.15Å; E333-E337 WeakPolarHBondContact O-CG 3.42Å; E333-E337 PolarHBondContact O-N 3.38Å; E333-R392 IonicContact OE1-CZ 2.78Å; E333-R392 IonicContact OE1-NH2 3.84Å; E333-R392 PolarHBondContact OE1-NH2 3.27Å; E333-R392 IonicContact OE2-CZ 3.4Å; E333-R392 IonicContact OE2-NH2 3.11Å; E333-R392 PolarHBondContact OE2-NH2 2.92Å |
| 334 | E | 98.5 | Very high | 98.3 | Very high | 50 Ų | 50 | 42.4 Ų | 42.4 | 23% | 0.234 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.5 | -40.6 | 176.2 | -69.9 | 174.9 | 140.8 | 0 | 0 | 111.7 | I330 N331 A338 A359 K363 | I330-E334 HydrophobicContact CG2-CB 3.76Å; N331-E334 PolarHBondContact N-OE2 3.07Å; N331-E334 VanDerWaalsContact ND2-CD 3.31Å; N331-E334 PolarHBondContact ND2-OE2 3.47Å; N331-E334 PolarHBondContact O-N 3.03Å; N331-E334 WeakPolarHBondContact OD1-CG 3.46Å; N331-E334 PolarHBondContact OD1-N 3.36Å; E334-A338 WeakPolarHBondContact O-CB 2.99Å; E334-A338 PolarHBondContact O-N 2.96Å; E334-A359 HydrophobicContact CB-CB 4.23Å; E334-K363 WeakPolarHBondContact OE1-CE 3.46Å; E334-K363 IonicContact OE1-NZ 3.89Å; E334-K363 PolarHBondContact OE1-NZ 3.34Å; E334-K363 IonicContact OE2-NZ 3.37Å; E334-K363 PolarHBondContact OE2-NZ 3.21Å |
| 335 | A | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.6 | -41.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I330 N331 E333 A338 F339 S355 H356 | I330-A335 HydrophobicContact CG2-CB 4.13Å; N331-A335 PolarHBondContact O-N 3.5Å; E333-A335 VanDerWaalsContact C-N 3.29Å; E333-A335 PolarHBondContact O-N 3.4Å; A335-A338 PolarHBondContact O-N 3.12Å; A335-F339 WeakPolarHBondContact O-CB 3.41Å; A335-F339 PolarHBondContact O-N 3.25Å; A335-S355 VanDerWaalsContact O-CB 3.25Å; A335-S355 WeakPolarHBondContact O-CB 3.37Å; A335-H356 WeakPolarHBondContact CB-CE1 3.1Å; A335-H356 WeakPolarHBondContact CB-ND1 3.08Å |
| 336 | V | 98 | Very high | 98.3 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.5 | -40.2 | 177.2 | 168.2 | 0 | 0 | 0 | 0 | 111.6 | I303 D332 E333 A338 F339 H340 L352 I389 | I303-V336 HydrophobicContact CD1-CG2 3.97Å; D332-V336 VanDerWaalsContact O-CG2 3.29Å; D332-V336 WeakPolarHBondContact O-CG2 3.35Å; D332-V336 PolarHBondContact O-N 2.96Å; D332-V336 VanDerWaalsContact O-N 3.08Å; E333-V336 PolarHBondContact O-N 2.94Å; E333-V336 VanDerWaalsContact O-N 3.15Å; V336-A338 VanDerWaalsContact C-N 3.33Å; V336-A338 PolarHBondContact O-N 3.25Å; V336-F339 WeakPolarHBondContact O-CB 3.12Å; V336-F339 PolarHBondContact O-N 3.25Å; V336-H340 PolarHBondContact O-CD2 3.48Å; V336-H340 VanDerWaalsContact O-CD2 3.23Å; V336-H340 PolarHBondContact O-N 3.14Å; V336-L352 HydrophobicContact CG2-CD2 4.16Å; V336-I389 HydrophobicContact CG1-CD1 4.19Å; V336-I389 HydrophobicContact CG2-CD1 3.83Å |
| 337 | E | 98.1 | Very high | 98.3 | Very high | 134 Ų | 134 | 42.6 Ų | 42.6 | 63% | 0.626 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -59.2 | -46.2 | 172.9 | -74.6 | -176 | 172.7 | 0 | 0 | 111 | E333 F339 H340 Y341 | E333-E337 WeakPolarHBondContact O-CG 3.42Å; E333-E337 PolarHBondContact O-N 3.38Å; E337-F339 PolarHBondContact O-N 3.01Å; E337-H340 PolarHBondContact O-N 3.37Å; E337-Y341 VanDerWaalsContact O-CB 3.24Å; E337-Y341 WeakPolarHBondContact O-CB 3.46Å; E337-Y341 PolarHBondContact O-N 3.43Å |
| 338 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E334 A335 V336 H340 Y341 L342 S355 L358 A359 L362 | E334-A338 WeakPolarHBondContact O-CB 2.99Å; E334-A338 PolarHBondContact O-N 2.96Å; A335-A338 PolarHBondContact O-N 3.12Å; V336-A338 VanDerWaalsContact C-N 3.33Å; V336-A338 PolarHBondContact O-N 3.25Å; A338-H340 PolarHBondContact O-N 2.79Å; A338-Y341 PolarHBondContact O-N 2.97Å; A338-L342 PolarHBondContact O-N 3.01Å; A338-S355 WeakPolarHBondContact CB-O 3.34Å; A338-L358 HydrophobicContact CB-CB 4.18Å; A338-L358 HydrophobicContact CB-CD2 3.95Å; A338-L358 HydrophobicContact CB-CG 4.04Å; A338-L358 VanDerWaalsContact O-CD2 3.23Å; A338-L358 WeakPolarHBondContact O-CD2 3.31Å; A338-A359 HydrophobicContact CB-CB 3.79Å; A338-L362 HydrophobicContact CB-CD1 3.97Å |
| 339 | F | 98.5 | Very high | 98.3 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 4% | 0.044 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.7 | -50.2 | 173.6 | 176.6 | -80.4 | 0 | 0 | 0 | 111.2 | A335 V336 E337 S343 I349 P350 L352 D385 I389 | A335-F339 WeakPolarHBondContact O-CB 3.41Å; A335-F339 PolarHBondContact O-N 3.25Å; V336-F339 WeakPolarHBondContact O-CB 3.12Å; V336-F339 PolarHBondContact O-N 3.25Å; E337-F339 PolarHBondContact O-N 3.01Å; F339-S343 WeakPolarHBondContact O-CB 3.43Å; F339-S343 PolarHBondContact O-N 3.22Å; F339-S343 PolarHBondContact O-OG 2.75Å; F339-I349 HydrophobicContact CE1-CG2 4.27Å; F339-I349 HydrophobicContact CE2-CG2 3.79Å; F339-I349 HydrophobicContact CZ-CG2 3.43Å; F339-I349 VanDerWaalsContact CZ-CG2 3.43Å; F339-P350 HydrophobicContact CB-CG 4.38Å; F339-P350 HydrophobicContact CD2-CG 3.92Å; F339-P350 WeakPolarHBondContact CD2-O 3.46Å; F339-P350 WeakPolarHBondContact CE2-O 3.46Å; F339-P350 HydrophobicContact CG-CG 4.31Å; F339-L352 HydrophobicContact CB-CD2 4.4Å; F339-L352 HydrophobicContact CD2-CD2 4.27Å; F339-L352 HydrophobicContact CD2-CG 4.47Å; F339-D385 HydrophobicContact CE2-CB 4.34Å; F339-I389 HydrophobicContact CD1-CD1 4.4Å; F339-I389 HydrophobicContact CD1-CG1 4.15Å; F339-I389 HydrophobicContact CD1-CG2 4.32Å; F339-I389 HydrophobicContact CE1-CB 4.34Å; F339-I389 HydrophobicContact CE1-CG1 3.92Å; F339-I389 HydrophobicContact CE1-CG2 3.94Å; F339-I389 HydrophobicContact CE2-CG1 4.29Å; F339-I389 HydrophobicContact CG-CG1 4.48Å; F339-I389 HydrophobicContact CZ-CG1 3.98Å |
| 340 | H | 97.8 | Very high | 98.3 | Very high | 39 Ų | 39 | 41.6 Ų | 41.6 | 18% | 0.181 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 177.7 | -73.7 | -50.3 | 0 | 0 | 0 | 112.3 | V336 E337 A338 S343 R344 M393 | V336-H340 PolarHBondContact O-CD2 3.48Å; V336-H340 VanDerWaalsContact O-CD2 3.23Å; V336-H340 PolarHBondContact O-N 3.14Å; E337-H340 PolarHBondContact O-N 3.37Å; A338-H340 PolarHBondContact O-N 2.79Å; H340-S343 PolarHBondContact O-N 2.82Å; H340-R344 WeakPolarHBondContact O-CB 3.36Å; H340-R344 VanDerWaalsContact O-CG 3.31Å; H340-R344 WeakPolarHBondContact O-CG 3.42Å; H340-R344 PolarHBondContact O-N 2.95Å; H340-M393 PolarHBondContact CE1-SD 3.4Å |
| 341 | Y | 98.4 | Very high | 98.2 | Very high | 62 Ų | 62 | 41.7 Ų | 41.7 | 24% | 0.243 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -50.7 | -176.7 | -170 | -87.9 | 0 | 0 | 0 | 111.4 | L67 D70 E337 A338 S343 R344 L345 L362 | L67-Y341 HydrophobicContact CD1-CD1 4.13Å; L67-Y341 HydrophobicContact CD1-CE1 3.49Å; L67-Y341 VanDerWaalsContact CD1-CE1 3.49Å; D70-Y341 PolarHBondContact OD2-OH 3.48Å; E337-Y341 VanDerWaalsContact O-CB 3.24Å; E337-Y341 WeakPolarHBondContact O-CB 3.46Å; E337-Y341 PolarHBondContact O-N 3.43Å; A338-Y341 PolarHBondContact O-N 2.97Å; Y341-S343 PolarHBondContact O-N 3.37Å; Y341-R344 PolarHBondContact O-N 2.99Å; Y341-L345 HydrophobicContact CD1-CD2 4.28Å; Y341-L345 HydrophobicContact CE1-CD2 3.52Å; Y341-L345 WeakPolarHBondContact O-CB 3.35Å; Y341-L345 PolarHBondContact O-N 3.25Å; Y341-L362 HydrophobicContact CD1-CD1 4.22Å; Y341-L362 HydrophobicContact CD1-CD2 3.74Å; Y341-L362 HydrophobicContact CE1-CD2 3.66Å; Y341-L362 HydrophobicContact CG-CD1 4.2Å; Y341-L362 HydrophobicContact CG-CD2 4.47Å |
| 342 | L | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -41.2 | 176.9 | -164.4 | 69 | 0 | 0 | 0 | 112.4 | L67 L78 A338 R344 L345 E346 G347 I348 P350 L358 L378 | L67-L342 HydrophobicContact CD2-CD1 4.33Å; L78-L342 HydrophobicContact CD1-CD1 4.01Å; L78-L342 HydrophobicContact CD1-CD2 4.46Å; A338-L342 PolarHBondContact O-N 3.01Å; L342-R344 VanDerWaalsContact C-N 3.3Å; L342-R344 PolarHBondContact O-N 3.06Å; L342-L345 PolarHBondContact O-N 3.15Å; L342-E346 HydrophobicContact CD1-CB 3.87Å; L342-E346 HydrophobicContact CD1-CG 3.78Å; L342-E346 HydrophobicContact CG-CB 4.32Å; L342-E346 PolarHBondContact O-N 2.89Å; L342-G347 PolarHBondContact O-N 3.03Å; L342-I348 CarbonylContact C-O 3.41Å; L342-I348 HydrophobicContact CD2-CB 4.02Å; L342-I348 HydrophobicContact CD2-CG2 3.92Å; L342-I348 HydrophobicContact CG-CB 4.14Å; L342-P350 HydrophobicContact CB-CG 4.32Å; L342-P350 HydrophobicContact CD2-CB 3.92Å; L342-P350 HydrophobicContact CD2-CG 4.03Å; L342-L358 HydrophobicContact CB-CD2 3.53Å; L342-L358 HydrophobicContact CD1-CD2 4.25Å; L342-L358 HydrophobicContact CD2-CD2 4.17Å; L342-L358 HydrophobicContact CG-CD2 4.19Å; L342-L378 HydrophobicContact CD2-CD1 4.03Å |
| 343 | S | 98.4 | Very high | 98.1 | Very high | 29 Ų | 29 | 40.2 Ų | 40.2 | 20% | 0.203 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | 180 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | F339 H340 Y341 G347 I348 | F339-S343 WeakPolarHBondContact O-CB 3.43Å; F339-S343 PolarHBondContact O-N 3.22Å; F339-S343 PolarHBondContact O-OG 2.75Å; H340-S343 PolarHBondContact O-N 2.82Å; Y341-S343 PolarHBondContact O-N 3.37Å; S343-G347 WeakPolarHBondContact O-CA 3.39Å; S343-G347 PolarHBondContact O-N 2.83Å; S343-I348 VanDerWaalsContact CA-O 3.25Å; S343-I348 WeakPolarHBondContact CA-O 3.32Å; S343-I348 PolarHBondContact N-O 2.59Å |
| 344 | R | 97.9 | Very high | 98.1 | Very high | 187 Ų | 187 | 35.3 Ų | 35.3 | 71% | 0.706 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -78 | -39.6 | -179.9 | -68.7 | 174.4 | -177.2 | 171.8 | 4.3 | 112.6 | H340 Y341 L342 | H340-R344 WeakPolarHBondContact O-CB 3.36Å; H340-R344 VanDerWaalsContact O-CG 3.31Å; H340-R344 WeakPolarHBondContact O-CG 3.42Å; H340-R344 PolarHBondContact O-N 2.95Å; Y341-R344 PolarHBondContact O-N 2.99Å; L342-R344 VanDerWaalsContact C-N 3.3Å; L342-R344 PolarHBondContact O-N 3.06Å |
| 345 | L | 98.3 | Very high | 98.1 | Very high | 22 Ų | 22 | 32.9 Ų | 32.9 | 12% | 0.115 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -84.8 | -41.2 | -171.7 | -170.9 | 63.6 | 0 | 0 | 0 | 112.8 | R66 L67 D70 Y341 L342 | R66-L345 HydrophobicContact CB-CD1 4.11Å; R66-L345 HydrophobicContact CB-CG 4.03Å; R66-L345 WeakPolarHBondContact CD-O 3.45Å; R66-L345 PolarHBondContact NE-O 3.46Å; R66-L345 VanDerWaalsContact NE-O 3.13Å; R66-L345 PolarHBondContact NH1-O 3.03Å; R66-L345 PolarHBondContact NH2-O 3.26Å; L67-L345 HydrophobicContact CB-CD2 4.26Å; L67-L345 HydrophobicContact CD1-CD2 4.19Å; D70-L345 HydrophobicContact CB-CD2 3.9Å; Y341-L345 HydrophobicContact CD1-CD2 4.28Å; Y341-L345 HydrophobicContact CE1-CD2 3.52Å; Y341-L345 WeakPolarHBondContact O-CB 3.35Å; Y341-L345 PolarHBondContact O-N 3.25Å; L342-L345 PolarHBondContact O-N 3.15Å |
| 346 | E | 98.3 | Very high | 98.1 | Very high | 21 Ų | 21 | 32.9 Ų | 32.9 | 10% | 0.098 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -111.2 | -7.8 | -175.2 | -67.1 | -69.2 | 175.5 | 0 | 0 | 112.8 | Y62 A64 R66 L67 L342 I348 | Y62-E346 PolarHBondContact OH-OE2 2.85Å; A64-E346 HydrophobicContact CB-CG 4.45Å; R66-E346 WeakPolarHBondContact CA-OE1 3.43Å; R66-E346 WeakPolarHBondContact CB-OE1 3.47Å; R66-E346 PolarHBondContact N-OE1 3.16Å; R66-E346 VanDerWaalsContact N-OE1 3.16Å; L67-E346 HydrophobicContact CB-CG 4.26Å; L67-E346 WeakPolarHBondContact CB-OE1 3.48Å; L67-E346 PolarHBondContact N-OE1 3.41Å; L342-E346 HydrophobicContact CD1-CB 3.87Å; L342-E346 HydrophobicContact CD1-CG 3.78Å; L342-E346 HydrophobicContact CG-CB 4.32Å; L342-E346 PolarHBondContact O-N 2.89Å; E346-I348 HydrophobicContact CB-CD1 4.06Å; E346-I348 HydrophobicContact CB-CG1 4.25Å; E346-I348 PolarHBondContact O-N 2.5Å |
| 347 | G | 98.2 | Very high | 98.2 | Very high | 62 Ų | 62 | 32.3 Ų | 32.3 | 64% | 0.639 | 16% | 0.163 | S | C | * | . | S | Bend | trans | 68.7 | 23.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L342 S343 | L342-G347 PolarHBondContact O-N 3.03Å; S343-G347 WeakPolarHBondContact O-CA 3.39Å; S343-G347 PolarHBondContact O-N 2.83Å |
| 348 | I | 98.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 25.9 Ų | 25.9 | 7% | 0.072 | 13% | 0.133 | C | C | . | . | trans | -114.1 | 120.8 | 179 | -60.2 | 167.3 | 0 | 0 | 0 | 107 | Y62 L78 L342 S343 E346 P350 L378 | Y62-I348 HydrophobicContact CD1-CD1 4.14Å; Y62-I348 HydrophobicContact CE1-CD1 4.05Å; L78-I348 HydrophobicContact CD1-CD1 4.2Å; L342-I348 CarbonylContact C-O 3.41Å; L342-I348 HydrophobicContact CD2-CB 4.02Å; L342-I348 HydrophobicContact CD2-CG2 3.92Å; L342-I348 HydrophobicContact CG-CB 4.14Å; S343-I348 VanDerWaalsContact CA-O 3.25Å; S343-I348 WeakPolarHBondContact CA-O 3.32Å; S343-I348 PolarHBondContact N-O 2.59Å; E346-I348 HydrophobicContact CB-CD1 4.06Å; E346-I348 HydrophobicContact CB-CG1 4.25Å; E346-I348 PolarHBondContact O-N 2.5Å; I348-P350 WeakPolarHBondContact O-CD 3.35Å; I348-L378 HydrophobicContact CG2-CD2 3.7Å | ||
| 349 | I | 98.4 | Very high | 98.2 | Very high | 75 Ų | 75 | 26 Ų | 26 | 39% | 0.385 | 14% | 0.135 | S | C | . | . | trans | -90.5 | 100.4 | 175.8 | -56.7 | 178.8 | 0 | 0 | 0 | 107.9 | F339 G382 V386 | F339-I349 HydrophobicContact CE1-CG2 4.27Å; F339-I349 HydrophobicContact CE2-CG2 3.79Å; F339-I349 HydrophobicContact CZ-CG2 3.43Å; F339-I349 VanDerWaalsContact CZ-CG2 3.43Å; I349-G382 PolarHBondContact O-N 3.18Å; I349-V386 HydrophobicContact CG2-CG2 4.42Å | ||
| 350 | P | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -75.3 | 156.8 | -177 | 34 | -36.3 | 0 | 0 | 0 | 111 | F339 L342 I348 S355 L378 G382 | F339-P350 HydrophobicContact CB-CG 4.38Å; F339-P350 HydrophobicContact CD2-CG 3.92Å; F339-P350 WeakPolarHBondContact CD2-O 3.46Å; F339-P350 WeakPolarHBondContact CE2-O 3.46Å; F339-P350 HydrophobicContact CG-CG 4.31Å; L342-P350 HydrophobicContact CB-CG 4.32Å; L342-P350 HydrophobicContact CD2-CB 3.92Å; L342-P350 HydrophobicContact CD2-CG 4.03Å; I348-P350 WeakPolarHBondContact O-CD 3.35Å; P350-S355 WeakPolarHBondContact CG-OG 3.35Å; P350-L378 HydrophobicContact CB-CD1 3.84Å; P350-G382 VanDerWaalsContact C-CA 3.48Å; P350-G382 VanDerWaalsContact C-N 3.34Å; P350-G382 WeakPolarHBondContact O-CA 3.3Å; P350-G382 PolarHBondContact O-N 2.71Å |
| 351 | A | 97 | Very high | 98.3 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.017 | 13% | 0.126 | C | C | . | . | trans | -64.1 | 150.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E353 S354 S355 G380 D385 | A351-E353 WeakPolarHBondContact CB-OE2 3.25Å; A351-E353 PolarHBondContact O-N 2.97Å; A351-S354 PolarHBondContact O-N 3.49Å; A351-S355 PolarHBondContact O-N 2.82Å; A351-S355 PolarHBondContact O-OG 3.29Å; A351-G380 WeakPolarHBondContact CB-O 3.3Å; A351-G380 PolarHBondContact N-O 3.3Å; A351-D385 WeakPolarHBondContact CA-OD2 3.14Å | ||
| 352 | L | 96.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.1 | -33.6 | 175.8 | -85.5 | 173.5 | 0 | 0 | 0 | 112.2 | I303 V336 F339 S355 H356 D385 Q388 I389 | I303-L352 HydrophobicContact CD1-CD1 4.31Å; I303-L352 HydrophobicContact CG1-CD1 4.1Å; I303-L352 HydrophobicContact CG2-CD1 4.44Å; V336-L352 HydrophobicContact CG2-CD2 4.16Å; F339-L352 HydrophobicContact CB-CD2 4.4Å; F339-L352 HydrophobicContact CD2-CD2 4.27Å; F339-L352 HydrophobicContact CD2-CG 4.47Å; L352-S355 WeakPolarHBondContact O-CB 3.48Å; L352-S355 PolarHBondContact O-N 3.18Å; L352-H356 PolarHBondContact O-N 2.92Å; L352-H356 PolarHBondContact O-ND1 3.32Å; L352-D385 HydrophobicContact CD1-CB 3.93Å; L352-D385 HydrophobicContact CG-CB 3.92Å; L352-D385 PolarHBondContact N-OD2 3.05Å; L352-Q388 VanDerWaalsContact CD1-OE1 3.25Å; L352-I389 HydrophobicContact CD1-CD1 4.29Å; L352-I389 HydrophobicContact CD2-CD1 3.9Å; L352-I389 HydrophobicContact CG-CD1 4.42Å |
| 353 | E | 96.5 | Very high | 98.3 | Very high | 20 Ų | 20 | 27.4 Ų | 27.4 | 9% | 0.093 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.6 | -54.1 | 172.3 | -63.2 | 74.4 | 177.5 | 0 | 0 | 110.2 | C233 S304 G306 L307 A351 S355 H356 K384 | C233-E353 WeakPolarHBondContact CB-O 3.38Å; C233-E353 PolarHBondContact SG-O 3.42Å; C233-E353 VanDerWaalsContact SG-O 3.41Å; S304-E353 WeakPolarHBondContact OG-CA 3.43Å; S304-E353 WeakPolarHBondContact OG-CG 3.11Å; S304-E353 PolarHBondContact OG-N 2.98Å; S304-E353 PolarHBondContact OG-OE1 3.25Å; G306-E353 WeakPolarHBondContact CA-OE1 3.14Å; G306-E353 PolarHBondContact N-OE1 3.07Å; G306-E353 VanDerWaalsContact N-OE1 3.14Å; L307-E353 HydrophobicContact CD2-CB 4.17Å; L307-E353 HydrophobicContact CD2-CG 4.16Å; L307-E353 HydrophobicContact CG-CB 4.19Å; L307-E353 HydrophobicContact CG-CG 4.05Å; A351-E353 WeakPolarHBondContact CB-OE2 3.25Å; A351-E353 PolarHBondContact O-N 2.97Å; E353-S355 PolarHBondContact O-N 2.84Å; E353-H356 WeakPolarHBondContact O-CB 3.21Å; E353-H356 PolarHBondContact O-N 2.85Å; E353-K384 IonicContact OE1-NZ 3.84Å; E353-K384 PolarHBondContact OE1-NZ 3.4Å; E353-K384 IonicContact OE2-NZ 3.11Å; E353-K384 PolarHBondContact OE2-NZ 3.48Å |
| 354 | S | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.2 | -26.1 | -179.3 | -42.9 | 0 | 0 | 0 | 0 | 112.4 | A351 H356 A357 L358 S379 G380 | A351-S354 PolarHBondContact O-N 3.49Å; S354-H356 VanDerWaalsContact C-N 3.25Å; S354-H356 PolarHBondContact O-N 3.25Å; S354-A357 WeakPolarHBondContact O-CB 3.45Å; S354-A357 PolarHBondContact O-N 3.2Å; S354-L358 PolarHBondContact O-N 3.18Å; S354-S379 PolarHBondContact OG-N 2.82Å; S354-S379 PolarHBondContact OG-OG 3.04Å; S354-G380 PolarHBondContact OG-N 3.03Å; S354-G380 VanDerWaalsContact OG-N 3.17Å; S354-G380 PolarHBondContact OG-O 2.9Å |
| 355 | S | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.3 | -26.6 | 178 | -53.6 | 0 | 0 | 0 | 0 | 112.2 | A335 A338 P350 A351 L352 E353 L358 A359 | A335-S355 VanDerWaalsContact O-CB 3.25Å; A335-S355 WeakPolarHBondContact O-CB 3.37Å; A338-S355 WeakPolarHBondContact CB-O 3.34Å; P350-S355 WeakPolarHBondContact CG-OG 3.35Å; A351-S355 PolarHBondContact O-N 2.82Å; A351-S355 PolarHBondContact O-OG 3.29Å; L352-S355 WeakPolarHBondContact O-CB 3.48Å; L352-S355 PolarHBondContact O-N 3.18Å; E353-S355 PolarHBondContact O-N 2.84Å; S355-L358 PolarHBondContact O-N 2.77Å; S355-A359 PolarHBondContact O-N 3.36Å |
| 356 | H | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.6 | -48 | 171 | -72.6 | 67.5 | 0 | 0 | 0 | 111.1 | C233 V258 L307 I330 A335 L352 E353 S354 L358 A359 Q360 | C233-H356 HydrophobicContact CB-CB 4.43Å; V258-H356 HydrophobicContact CG1-CB 4.19Å; L307-H356 HydrophobicContact CD1-CB 4.01Å; I330-H356 HydrophobicContact CB-CB 4.33Å; I330-H356 WeakPolarHBondContact CG1-O 3.33Å; I330-H356 HydrophobicContact CG2-CB 4.3Å; I330-H356 PolarHBondContact O-CD2 3.43Å; A335-H356 WeakPolarHBondContact CB-CE1 3.1Å; A335-H356 WeakPolarHBondContact CB-ND1 3.08Å; L352-H356 PolarHBondContact O-N 2.92Å; L352-H356 PolarHBondContact O-ND1 3.32Å; E353-H356 WeakPolarHBondContact O-CB 3.21Å; E353-H356 PolarHBondContact O-N 2.85Å; S354-H356 VanDerWaalsContact C-N 3.25Å; S354-H356 PolarHBondContact O-N 3.25Å; H356-L358 VanDerWaalsContact C-N 3.27Å; H356-L358 PolarHBondContact O-N 3.45Å; H356-A359 PolarHBondContact O-N 3.47Å; H356-Q360 PolarHBondContact O-N 2.92Å |
| 357 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.4 | -43.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L231 C233 S354 A359 Q360 V361 M376 | L231-A357 HydrophobicContact CD1-CB 3.91Å; L231-A357 WeakPolarHBondContact CD1-O 3.47Å; C233-A357 HydrophobicContact CB-CB 4.24Å; S354-A357 WeakPolarHBondContact O-CB 3.45Å; S354-A357 PolarHBondContact O-N 3.2Å; A357-A359 PolarHBondContact O-N 3.4Å; A357-Q360 PolarHBondContact O-N 3.45Å; A357-V361 PolarHBondContact O-N 3.37Å; A357-V361 VanDerWaalsContact O-N 3.15Å; A357-M376 HydrophobicContact CB-CG 3.9Å; A357-M376 HydrophobicContact CB-SD 4.1Å |
| 358 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 178.6 | 179.5 | 67.5 | 0 | 0 | 0 | 112.6 | L67 A338 L342 S354 S355 H356 Q360 V361 L362 M376 | L67-L358 HydrophobicContact CD2-CD1 4.02Å; A338-L358 HydrophobicContact CB-CB 4.18Å; A338-L358 HydrophobicContact CB-CD2 3.95Å; A338-L358 HydrophobicContact CB-CG 4.04Å; A338-L358 VanDerWaalsContact O-CD2 3.23Å; A338-L358 WeakPolarHBondContact O-CD2 3.31Å; L342-L358 HydrophobicContact CB-CD2 3.53Å; L342-L358 HydrophobicContact CD1-CD2 4.25Å; L342-L358 HydrophobicContact CD2-CD2 4.17Å; L342-L358 HydrophobicContact CG-CD2 4.19Å; S354-L358 PolarHBondContact O-N 3.18Å; S355-L358 PolarHBondContact O-N 2.77Å; H356-L358 VanDerWaalsContact C-N 3.27Å; H356-L358 PolarHBondContact O-N 3.45Å; L358-Q360 PolarHBondContact O-N 2.94Å; L358-V361 HydrophobicContact CD1-CB 4.41Å; L358-V361 CarbonylContact O-C 3.37Å; L358-V361 WeakPolarHBondContact O-CA 3.49Å; L358-V361 VanDerWaalsContact O-CB 3.27Å; L358-V361 WeakPolarHBondContact O-CB 3.38Å; L358-V361 PolarHBondContact O-N 3.34Å; L358-L362 HydrophobicContact CD1-CD2 4.36Å; L358-L362 HydrophobicContact CG-CG 4.42Å; L358-L362 WeakPolarHBondContact O-CG 3.47Å; L358-L362 PolarHBondContact O-N 3.48Å; L358-M376 WeakPolarHBondContact CA-SD 3.44Å; L358-M376 HydrophobicContact CB-CE 4.34Å; L358-M376 HydrophobicContact CB-SD 3.73Å; L358-M376 HydrophobicContact CD1-SD 4.07Å; L358-M376 PolarHBondContact N-SD 3.32Å; L358-M376 VanDerWaalsContact N-SD 3.44Å |
| 359 | A | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 3% | 0.025 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.1 | -37.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I330 E334 A338 S355 H356 A357 L362 K363 | I330-A359 HydrophobicContact CB-CB 4.49Å; I330-A359 HydrophobicContact CD1-CB 3.89Å; I330-A359 HydrophobicContact CG1-CB 4.07Å; I330-A359 HydrophobicContact CG2-CB 3.63Å; E334-A359 HydrophobicContact CB-CB 4.23Å; A338-A359 HydrophobicContact CB-CB 3.79Å; S355-A359 PolarHBondContact O-N 3.36Å; H356-A359 PolarHBondContact O-N 3.47Å; A357-A359 PolarHBondContact O-N 3.4Å; A359-L362 WeakPolarHBondContact O-CB 3.37Å; A359-L362 PolarHBondContact O-N 3.23Å; A359-K363 PolarHBondContact O-N 3.03Å |
| 360 | Q | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 28.1 Ų | 28.1 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.4 | -35.6 | 173.9 | -168.6 | 61.5 | 5.5 | 0 | 0 | 112.6 | L231 M256 V258 E328 I330 H356 A357 L358 L362 K363 L364 | L231-Q360 HydrophobicContact CD1-CB 4.44Å; M256-Q360 HydrophobicContact SD-CG 3.64Å; V258-Q360 HydrophobicContact CG1-CB 4.38Å; V258-Q360 HydrophobicContact CG2-CB 3.81Å; V258-Q360 HydrophobicContact CG2-CG 4.06Å; E328-Q360 HydrophobicContact CB-CG 4.39Å; I330-Q360 HydrophobicContact CD1-CB 4.34Å; I330-Q360 HydrophobicContact CG1-CB 4.29Å; H356-Q360 PolarHBondContact O-N 2.92Å; A357-Q360 PolarHBondContact O-N 3.45Å; L358-Q360 PolarHBondContact O-N 2.94Å; Q360-L362 VanDerWaalsContact C-N 3.34Å; Q360-K363 PolarHBondContact O-N 3.2Å; Q360-L364 HydrophobicContact CG-CD1 3.88Å; Q360-L364 HydrophobicContact CG-CG 4.33Å; Q360-L364 WeakPolarHBondContact O-CB 3.1Å; Q360-L364 WeakPolarHBondContact O-CG 3.31Å; Q360-L364 PolarHBondContact O-N 3.02Å |
| 361 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.7 | -43 | 170.1 | 180 | 0 | 0 | 0 | 0 | 111.4 | I76 L231 A357 L358 K363 L364 A365 I374 M376 | I76-V361 HydrophobicContact CD1-CG1 3.74Å; I76-V361 HydrophobicContact CG1-CG1 3.97Å; I76-V361 HydrophobicContact CG2-CG1 4.07Å; L231-V361 HydrophobicContact CD1-CG2 3.77Å; L231-V361 HydrophobicContact CD2-CG2 3.65Å; L231-V361 HydrophobicContact CG-CG2 4.21Å; A357-V361 PolarHBondContact O-N 3.37Å; A357-V361 VanDerWaalsContact O-N 3.15Å; L358-V361 HydrophobicContact CD1-CB 4.41Å; L358-V361 CarbonylContact O-C 3.37Å; L358-V361 WeakPolarHBondContact O-CA 3.49Å; L358-V361 VanDerWaalsContact O-CB 3.27Å; L358-V361 WeakPolarHBondContact O-CB 3.38Å; L358-V361 PolarHBondContact O-N 3.34Å; V361-K363 PolarHBondContact O-N 3.49Å; V361-L364 PolarHBondContact O-N 3.02Å; V361-A365 HydrophobicContact CG1-CB 4.2Å; V361-A365 VanDerWaalsContact O-CB 3.28Å; V361-A365 WeakPolarHBondContact O-CB 3.42Å; V361-A365 PolarHBondContact O-N 3.37Å; V361-I374 HydrophobicContact CG1-CD1 4.35Å; V361-I374 HydrophobicContact CG2-CG2 4.16Å; V361-M376 HydrophobicContact CG2-CB 4.17Å; V361-M376 HydrophobicContact CG2-CG 4.12Å; V361-M376 HydrophobicContact CG2-SD 4.01Å |
| 362 | L | 98.7 | Very high | 98.4 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 19% | 0.194 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.7 | -35 | 179.5 | -59.4 | -173.9 | 0 | 0 | 0 | 111.8 | L67 L71 A338 Y341 L358 A359 Q360 P366 | L67-L362 HydrophobicContact CD1-CD2 3.9Å; L71-L362 HydrophobicContact CD1-CD2 3.85Å; L71-L362 HydrophobicContact CD2-CD2 4.2Å; A338-L362 HydrophobicContact CB-CD1 3.97Å; Y341-L362 HydrophobicContact CD1-CD1 4.22Å; Y341-L362 HydrophobicContact CD1-CD2 3.74Å; Y341-L362 HydrophobicContact CE1-CD2 3.66Å; Y341-L362 HydrophobicContact CG-CD1 4.2Å; Y341-L362 HydrophobicContact CG-CD2 4.47Å; L358-L362 HydrophobicContact CD1-CD2 4.36Å; L358-L362 HydrophobicContact CG-CG 4.42Å; L358-L362 WeakPolarHBondContact O-CG 3.47Å; L358-L362 PolarHBondContact O-N 3.48Å; A359-L362 WeakPolarHBondContact O-CB 3.37Å; A359-L362 PolarHBondContact O-N 3.23Å; Q360-L362 VanDerWaalsContact C-N 3.34Å; L362-P366 VanDerWaalsContact O-CD 3.26Å; L362-P366 WeakPolarHBondContact O-CD 3.48Å; L362-P366 WeakPolarHBondContact O-CG 3.24Å |
| 363 | K | 98.7 | Very high | 98.5 | Very high | 94 Ų | 94 | 35.4 Ų | 35.4 | 41% | 0.409 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -74.7 | -45.5 | 174.9 | -66.4 | 175.1 | -179.2 | 179.2 | 0 | 112.7 | I330 E334 A359 Q360 V361 | I330-K363 HydrophobicContact CD1-CD 4.2Å; I330-K363 VanDerWaalsContact CD1-NZ 3.27Å; E334-K363 WeakPolarHBondContact OE1-CE 3.46Å; E334-K363 IonicContact OE1-NZ 3.89Å; E334-K363 PolarHBondContact OE1-NZ 3.34Å; E334-K363 IonicContact OE2-NZ 3.37Å; E334-K363 PolarHBondContact OE2-NZ 3.21Å; A359-K363 PolarHBondContact O-N 3.03Å; Q360-K363 PolarHBondContact O-N 3.2Å; V361-K363 PolarHBondContact O-N 3.49Å |
| 364 | L | 98.5 | Very high | 98.6 | Very high | 29 Ų | 29 | 34.5 Ų | 34.5 | 15% | 0.152 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -81.3 | -44.9 | -170 | -71.2 | 177.8 | 0 | 0 | 0 | 113.4 | L229 M256 Q360 V361 P366 T367 M368 | L229-L364 HydrophobicContact CD2-CD1 3.79Å; M256-L364 HydrophobicContact CE-CD1 3.98Å; M256-L364 HydrophobicContact SD-CD1 3.65Å; Q360-L364 HydrophobicContact CG-CD1 3.88Å; Q360-L364 HydrophobicContact CG-CG 4.33Å; Q360-L364 WeakPolarHBondContact O-CB 3.1Å; Q360-L364 WeakPolarHBondContact O-CG 3.31Å; Q360-L364 PolarHBondContact O-N 3.02Å; V361-L364 PolarHBondContact O-N 3.02Å; L364-P366 VanDerWaalsContact C-CD 3.46Å; L364-P366 VanDerWaalsContact C-N 3.35Å; L364-T367 PolarHBondContact O-N 2.99Å; L364-T367 PolarHBondContact O-OG1 3Å; L364-M368 PolarHBondContact O-N 3.27Å |
| 365 | A | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -55.2 | -41.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L71 G73 A74 I76 V361 T367 M368 I374 | L71-A365 HydrophobicContact CB-CB 4.34Å; L71-A365 HydrophobicContact CD1-CB 3.89Å; G73-A365 VanDerWaalsContact CA-O 3.28Å; G73-A365 WeakPolarHBondContact CA-O 3.16Å; A74-A365 PolarHBondContact N-O 2.9Å; I76-A365 HydrophobicContact CD1-CB 3.75Å; I76-A365 HydrophobicContact CG1-CB 4.27Å; V361-A365 HydrophobicContact CG1-CB 4.2Å; V361-A365 VanDerWaalsContact O-CB 3.28Å; V361-A365 WeakPolarHBondContact O-CB 3.42Å; V361-A365 PolarHBondContact O-N 3.37Å; A365-T367 PolarHBondContact O-N 2.89Å; A365-M368 PolarHBondContact O-N 2.75Å; A365-I374 HydrophobicContact CB-CD1 3.81Å |
| 366 | P | 98.5 | Very high | 98.6 | Very high | 66 Ų | 66 | 34.5 Ų | 34.5 | 43% | 0.429 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -64.6 | -22.2 | 176.6 | -21.9 | 33.9 | 0 | 0 | 0 | 114.8 | L71 L362 L364 | L71-P366 HydrophobicContact CB-CG 4.13Å; L71-P366 HydrophobicContact CD2-CG 4.14Å; L362-P366 VanDerWaalsContact O-CD 3.26Å; L362-P366 WeakPolarHBondContact O-CD 3.48Å; L362-P366 WeakPolarHBondContact O-CG 3.24Å; L364-P366 VanDerWaalsContact C-CD 3.46Å; L364-P366 VanDerWaalsContact C-N 3.35Å |
| 367 | T | 98.4 | Very high | 98.6 | Very high | 111 Ų | 111 | 34.5 Ų | 34.5 | 68% | 0.681 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -89.1 | -12.1 | 179.8 | 71 | 0 | 0 | 0 | 0 | 113 | L364 A365 | L364-T367 PolarHBondContact O-N 2.99Å; L364-T367 PolarHBondContact O-OG1 3Å; A365-T367 PolarHBondContact O-N 2.89Å |
| 368 | M | 98.5 | Very high | 98.6 | Very high | 18 Ų | 18 | 34.5 Ų | 34.5 | 9% | 0.089 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -94.1 | 154.6 | 178.7 | -69.6 | 178.7 | 66.1 | 0 | 0 | 111.2 | G73 A74 D228 L364 A365 Q372 I374 | G73-M368 WeakPolarHBondContact CA-O 3.24Å; A74-M368 HydrophobicContact CB-CB 3.72Å; A74-M368 HydrophobicContact CB-CE 4.26Å; A74-M368 HydrophobicContact CB-SD 4.37Å; D228-M368 HydrophobicContact CB-CE 4.28Å; L364-M368 PolarHBondContact O-N 3.27Å; A365-M368 PolarHBondContact O-N 2.75Å; M368-Q372 HydrophobicContact CB-CB 4.46Å; M368-Q372 VanDerWaalsContact CB-OE1 3.3Å; M368-Q372 HydrophobicContact CE-CB 3.7Å; M368-Q372 HydrophobicContact CE-CG 4.3Å; M368-I374 HydrophobicContact CE-CD1 4.46Å; M368-I374 HydrophobicContact CE-CG1 4.02Å; M368-I374 HydrophobicContact SD-CD1 3.71Å; M368-I374 HydrophobicContact SD-CG1 3.91Å |
| 369 | S | 98 | Very high | 98.6 | Very high | 50 Ų | 50 | 34.7 Ų | 34.7 | 35% | 0.35 | 18% | 0.183 | S | C | . | . | trans | -74.4 | 155.3 | 178.9 | 67.7 | 0 | 0 | 0 | 0 | 111.7 | A74 D371 Q372 | A74-S369 WeakPolarHBondContact CA-O 3.26Å; S369-D371 WeakPolarHBondContact CB-OD1 3.4Å; S369-D371 PolarHBondContact O-N 2.93Å; S369-D371 PolarHBondContact OG-OD1 3.2Å; S369-Q372 WeakPolarHBondContact O-CB 3.5Å; S369-Q372 PolarHBondContact O-N 2.88Å; S369-Q372 WeakPolarHBondContact OG-CG 3.32Å; S369-Q372 PolarHBondContact OG-OE1 2.91Å | ||
| 370 | K | 98.1 | Very high | 98.6 | Very high | 152 Ų | 152 | 34.7 Ų | 34.7 | 66% | 0.661 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -21.7 | -175.6 | -67.9 | -176.8 | 174.1 | -179.2 | 0 | 114.7 | G72 G73 | G72-K370 WeakPolarHBondContact O-CE 3.11Å; G73-K370 WeakPolarHBondContact O-CA 3.32Å |
| 371 | D | 97.6 | Very high | 98.5 | Very high | 101 Ų | 101 | 38.5 Ų | 38.5 | 54% | 0.54 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -23.7 | 175 | 58.9 | -59.8 | 0 | 0 | 0 | 112.3 | R75 R225 S369 | R75-D371 PolarHBondContact NH2-O 2.75Å; R225-D371 PolarHBondContact NH2-O 3Å; S369-D371 WeakPolarHBondContact CB-OD1 3.4Å; S369-D371 PolarHBondContact O-N 2.93Å; S369-D371 PolarHBondContact OG-OD1 3.2Å |
| 372 | Q | 98.7 | Very high | 98.3 | Very high | 54 Ų | 54 | 38.5 Ų | 38.5 | 25% | 0.252 | 20% | 0.198 | S | C | . | . | trans | -69.4 | 153.5 | 178.6 | -69.6 | 178.4 | -61 | 0 | 0 | 112.5 | A74 R75 D228 M368 S369 | A74-Q372 WeakPolarHBondContact CA-O 3.35Å; A74-Q372 HydrophobicContact CB-CB 4.28Å; A74-Q372 WeakPolarHBondContact CB-O 3.46Å; R75-Q372 PolarHBondContact N-O 2.88Å; D228-Q372 HydrophobicContact CB-CB 4.3Å; D228-Q372 HydrophobicContact CB-CG 4.38Å; D228-Q372 WeakPolarHBondContact OD2-CA 3.46Å; M368-Q372 HydrophobicContact CB-CB 4.46Å; M368-Q372 VanDerWaalsContact CB-OE1 3.3Å; M368-Q372 HydrophobicContact CE-CB 3.7Å; M368-Q372 HydrophobicContact CE-CG 4.3Å; S369-Q372 WeakPolarHBondContact O-CB 3.5Å; S369-Q372 PolarHBondContact O-N 2.88Å; S369-Q372 WeakPolarHBondContact OG-CG 3.32Å; S369-Q372 PolarHBondContact OG-OE1 2.91Å | ||
| 373 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 127.8 | -172.4 | -59.7 | 163.3 | 0 | 0 | 0 | 109.6 | R75 Y77 I219 E223 R225 P227 D228 L229 V375 | R75-I373 HydrophobicContact CB-CG1 4.46Å; R75-I373 CarbonylContact O-C 3.52Å; R75-I373 WeakPolarHBondContact O-CA 3.1Å; Y77-I373 HydrophobicContact CD2-CG2 3.96Å; Y77-I373 HydrophobicContact CE2-CG2 4.25Å; I219-I373 HydrophobicContact CD1-CG2 3.94Å; I219-I373 HydrophobicContact CG1-CG2 4.4Å; E223-I373 HydrophobicContact CB-CD1 3.75Å; E223-I373 HydrophobicContact CG-CD1 3.69Å; R225-I373 HydrophobicContact CG-CD1 4.04Å; P227-I373 HydrophobicContact CB-CB 4.28Å; P227-I373 HydrophobicContact CB-CG2 3.84Å; D228-I373 PolarHBondContact N-O 3.46Å; D228-I373 PolarHBondContact OD2-N 3.43Å; L229-I373 PolarHBondContact N-O 2.92Å; L229-I373 VanDerWaalsContact N-O 3.11Å; I373-V375 HydrophobicContact CG2-CG2 4.45Å |
| 374 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 131 | 170.1 | -60.2 | 177.4 | 0 | 0 | 0 | 108.5 | A74 R75 I76 Y77 L229 L231 V361 A365 M368 | A74-I374 HydrophobicContact CB-CD1 3.91Å; A74-I374 HydrophobicContact CB-CG1 3.92Å; R75-I374 PolarHBondContact O-N 3.41Å; I76-I374 HydrophobicContact CG1-CB 4.45Å; Y77-I374 PolarHBondContact N-O 3.4Å; L229-I374 HydrophobicContact CB-CG1 4.3Å; L229-I374 HydrophobicContact CD2-CD1 4.42Å; L229-I374 HydrophobicContact CD2-CG1 4.25Å; L229-I374 HydrophobicContact CD2-CG2 4.35Å; L229-I374 CarbonylContact O-C 3.56Å; L229-I374 WeakPolarHBondContact O-CA 3.47Å; L231-I374 HydrophobicContact CD2-CG2 3.3Å; V361-I374 HydrophobicContact CG1-CD1 4.35Å; V361-I374 HydrophobicContact CG2-CG2 4.16Å; A365-I374 HydrophobicContact CB-CD1 3.81Å; M368-I374 HydrophobicContact CE-CD1 4.46Å; M368-I374 HydrophobicContact CE-CG1 4.02Å; M368-I374 HydrophobicContact SD-CD1 3.71Å; M368-I374 HydrophobicContact SD-CG1 3.91Å |
| 375 | V | 99 | Very high | 97.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121.3 | 164.7 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | L61 Y77 T215 I219 P227 L229 V230 L231 M243 I373 | L61-V375 HydrophobicContact CD1-CG1 3.8Å; Y77-V375 WeakPolarHBondContact O-CA 3.23Å; T215-V375 HydrophobicContact CG2-CB 4.44Å; T215-V375 HydrophobicContact CG2-CG1 3.6Å; T215-V375 HydrophobicContact CG2-CG2 4.49Å; I219-V375 HydrophobicContact CD1-CG2 4.13Å; I219-V375 HydrophobicContact CG1-CG2 4.21Å; P227-V375 HydrophobicContact CB-CG2 3.78Å; P227-V375 HydrophobicContact CG-CG2 4.03Å; L229-V375 PolarHBondContact O-N 3.07Å; V230-V375 VanDerWaalsContact CA-O 3.31Å; V230-V375 WeakPolarHBondContact CA-O 3.39Å; V230-V375 HydrophobicContact CG2-CB 4.4Å; L231-V375 PolarHBondContact N-O 2.92Å; M243-V375 HydrophobicContact CE-CG1 4.29Å; I373-V375 HydrophobicContact CG2-CG2 4.45Å |
| 376 | M | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132.7 | 176.7 | -170.8 | -161.1 | 93.1 | 0 | 0 | 110.2 | Y77 L78 K79 L231 A357 L358 V361 L378 | Y77-M376 PolarHBondContact O-N 3.5Å; L78-M376 HydrophobicContact CD2-CB 4.08Å; L78-M376 HydrophobicContact CD2-CE 3.89Å; L78-M376 HydrophobicContact CD2-SD 4.19Å; K79-M376 PolarHBondContact N-O 2.94Å; L231-M376 HydrophobicContact CD1-CG 4.11Å; L231-M376 HydrophobicContact CD2-CB 4.38Å; L231-M376 HydrophobicContact CG-CB 4.33Å; L231-M376 HydrophobicContact CG-CG 4.11Å; L231-M376 WeakPolarHBondContact O-CA 3.2Å; A357-M376 HydrophobicContact CB-CG 3.9Å; A357-M376 HydrophobicContact CB-SD 4.1Å; L358-M376 WeakPolarHBondContact CA-SD 3.44Å; L358-M376 HydrophobicContact CB-CE 4.34Å; L358-M376 HydrophobicContact CB-SD 3.73Å; L358-M376 HydrophobicContact CD1-SD 4.07Å; L358-M376 PolarHBondContact N-SD 3.32Å; L358-M376 VanDerWaalsContact N-SD 3.44Å; V361-M376 HydrophobicContact CG2-CB 4.17Å; V361-M376 HydrophobicContact CG2-CG 4.12Å; V361-M376 HydrophobicContact CG2-SD 4.01Å; M376-L378 HydrophobicContact CE-CB 3.96Å; M376-L378 HydrophobicContact CE-CD1 3.46Å; M376-L378 VanDerWaalsContact CE-CD1 3.46Å; M376-L378 HydrophobicContact CE-CG 4.33Å; M376-L378 PolarHBondContact O-N 2.93Å |
| 377 | N | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 108.8 | 169.7 | -164.1 | 5.2 | 0 | 0 | 0 | 110.8 | E81 L231 A232 N239 M243 S379 | E81-N377 WeakPolarHBondContact CG-OD1 3.47Å; L231-N377 PolarHBondContact O-N 2.83Å; A232-N377 HydrophobicContact CB-CB 3.88Å; N239-N377 PolarHBondContact O-ND2 2.93Å; N239-N377 PolarHBondContact OD1-ND2 2.88Å; M243-N377 HydrophobicContact CB-CB 4.35Å; M243-N377 HydrophobicContact CE-CB 3.6Å; M243-N377 HydrophobicContact CG-CB 4.33Å; N377-S379 VanDerWaalsContact C-N 3.29Å; N377-S379 PolarHBondContact O-N 3.36Å; N377-S379 VanDerWaalsContact O-N 3.08Å |
| 378 | L | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -84.6 | 79.3 | 172.9 | -168.9 | 73.4 | 0 | 0 | 0 | 108.5 | K79 E81 D82 L342 I348 P350 M376 G380 | K79-L378 WeakPolarHBondContact O-CB 3.22Å; K79-L378 PolarHBondContact O-N 2.96Å; E81-L378 CarbonylContact C-O 3.59Å; E81-L378 WeakPolarHBondContact CB-O 3.41Å; E81-L378 PolarHBondContact N-O 2.78Å; D82-L378 HydrophobicContact CB-CD2 4.14Å; D82-L378 HydrophobicContact CB-CG 4.34Å; D82-L378 PolarHBondContact N-O 2.9Å; D82-L378 VanDerWaalsContact N-O 3.12Å; D82-L378 WeakPolarHBondContact OD1-CD2 3.38Å; L342-L378 HydrophobicContact CD2-CD1 4.03Å; I348-L378 HydrophobicContact CG2-CD2 3.7Å; P350-L378 HydrophobicContact CB-CD1 3.84Å; M376-L378 HydrophobicContact CE-CB 3.96Å; M376-L378 HydrophobicContact CE-CD1 3.46Å; M376-L378 VanDerWaalsContact CE-CD1 3.46Å; M376-L378 HydrophobicContact CE-CG 4.33Å; M376-L378 PolarHBondContact O-N 2.93Å; L378-G380 PolarHBondContact O-N 2.65Å; L378-G380 VanDerWaalsContact O-N 3.13Å | ||
| 379 | S | 98.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | trans | -64.4 | -16.8 | -162.5 | 62.3 | 0 | 0 | 0 | 0 | 116.3 | A88 H89 C233 S354 N377 | A88-S379 WeakPolarHBondContact CA-O 3.47Å; H89-S379 PolarHBondContact N-O 3.15Å; H89-S379 PolarHBondContact ND1-O 2.86Å; C233-S379 PolarHBondContact SG-OG 2.49Å; S354-S379 PolarHBondContact OG-N 2.82Å; S354-S379 PolarHBondContact OG-OG 3.04Å; N377-S379 VanDerWaalsContact C-N 3.29Å; N377-S379 PolarHBondContact O-N 3.36Å; N377-S379 VanDerWaalsContact O-N 3.08Å | ||
| 380 | G | 97.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -171.8 | 167.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D82 G87 A351 S354 L378 | D82-G380 VanDerWaalsContact CB-C 3.45Å; G87-G380 CarbonylContact O-C 3.35Å; G87-G380 VanDerWaalsContact O-CA 3.24Å; G87-G380 WeakPolarHBondContact O-CA 3.35Å; A351-G380 WeakPolarHBondContact CB-O 3.3Å; A351-G380 PolarHBondContact N-O 3.3Å; S354-G380 PolarHBondContact OG-N 3.03Å; S354-G380 VanDerWaalsContact OG-N 3.17Å; S354-G380 PolarHBondContact OG-O 2.9Å; L378-G380 PolarHBondContact O-N 2.65Å; L378-G380 VanDerWaalsContact O-N 3.13Å |
| 381 | R | 97 | Very high | 95.2 | Very high | 89 Ų | 89 | 37.8 Ų | 37.8 | 34% | 0.336 | 18% | 0.183 | S | C | . | . | B | Isolated β-bridge | trans | -89.3 | 148.2 | 175.2 | 67.8 | -167.7 | -177.6 | -177.5 | -4.8 | 112.4 | D82 G87 D383 | D82-R381 HydrophobicContact CB-CB 3.99Å; G87-R381 PolarHBondContact O-N 3.13Å; R381-D383 WeakPolarHBondContact CD-OD2 3.4Å; R381-D383 WeakPolarHBondContact CG-OD2 3.23Å; R381-D383 IonicContact CZ-OD2 3.06Å; R381-D383 IonicContact NE-OD2 2.6Å; R381-D383 PolarHBondContact NE-OD2 2.65Å; R381-D383 VanDerWaalsContact NE-OD2 3.15Å; R381-D383 PolarHBondContact O-N 3.14Å |
| 382 | G | 95.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -86.8 | 10.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | I349 P350 K384 D385 V386 | I349-G382 PolarHBondContact O-N 3.18Å; P350-G382 VanDerWaalsContact C-CA 3.48Å; P350-G382 VanDerWaalsContact C-N 3.34Å; P350-G382 WeakPolarHBondContact O-CA 3.3Å; P350-G382 PolarHBondContact O-N 2.71Å; G382-K384 PolarHBondContact O-N 3.22Å; G382-K384 VanDerWaalsContact O-N 3.11Å; G382-D385 PolarHBondContact O-N 3.49Å; G382-V386 WeakPolarHBondContact O-CG2 3.4Å; G382-V386 PolarHBondContact O-N 3.42Å |
| 383 | D | 93 | Very high | 94.3 | Very high | 90 Ų | 90 | 37.6 Ų | 37.6 | 48% | 0.481 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -52.5 | -37.1 | 179.8 | -64 | -69.5 | 0 | 0 | 0 | 112.4 | R381 D385 | R381-D383 WeakPolarHBondContact CD-OD2 3.4Å; R381-D383 WeakPolarHBondContact CG-OD2 3.23Å; R381-D383 IonicContact CZ-OD2 3.06Å; R381-D383 IonicContact NE-OD2 2.6Å; R381-D383 PolarHBondContact NE-OD2 2.65Å; R381-D383 VanDerWaalsContact NE-OD2 3.15Å; R381-D383 PolarHBondContact O-N 3.14Å; D383-D385 VanDerWaalsContact C-N 3.27Å; D383-D385 PolarHBondContact O-N 3.43Å |
| 384 | K | 88.6 | Confident | 94 | Very high | 18 Ų | 18 | 42.6 Ų | 42.6 | 8% | 0.078 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -68.6 | -24 | 177.5 | 60.8 | 160.4 | -179.5 | 76.5 | 0 | 113.8 | A115 Q117 E353 G382 | A115-K384 HydrophobicContact CB-CD 4.3Å; Q117-K384 HydrophobicContact CG-CD 3.82Å; E353-K384 IonicContact OE1-NZ 3.84Å; E353-K384 PolarHBondContact OE1-NZ 3.4Å; E353-K384 IonicContact OE2-NZ 3.11Å; E353-K384 PolarHBondContact OE2-NZ 3.48Å; G382-K384 PolarHBondContact O-N 3.22Å; G382-K384 VanDerWaalsContact O-N 3.11Å |
| 385 | D | 91.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -13.1 | -172 | -57.5 | -45.7 | 0 | 0 | 0 | 112.1 | F339 A351 L352 G382 D383 Q387 Q388 I389 | F339-D385 HydrophobicContact CE2-CB 4.34Å; A351-D385 WeakPolarHBondContact CA-OD2 3.14Å; L352-D385 HydrophobicContact CD1-CB 3.93Å; L352-D385 HydrophobicContact CG-CB 3.92Å; L352-D385 PolarHBondContact N-OD2 3.05Å; G382-D385 PolarHBondContact O-N 3.49Å; D383-D385 VanDerWaalsContact C-N 3.27Å; D383-D385 PolarHBondContact O-N 3.43Å; D385-Q387 VanDerWaalsContact C-N 3.29Å; D385-Q387 PolarHBondContact O-N 2.97Å; D385-Q388 PolarHBondContact O-N 2.99Å; D385-I389 WeakPolarHBondContact O-CG1 3.37Å; D385-I389 PolarHBondContact O-N 2.97Å |
| 386 | V | 92.1 | Very high | 92.6 | Very high | 66 Ų | 66 | 50.9 Ų | 50.9 | 40% | 0.4 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.4 | -41.5 | -175.7 | 177 | 0 | 0 | 0 | 0 | 112.4 | I349 G382 I389 K390 | I349-V386 HydrophobicContact CG2-CG2 4.42Å; G382-V386 WeakPolarHBondContact O-CG2 3.4Å; G382-V386 PolarHBondContact O-N 3.42Å; V386-I389 PolarHBondContact O-N 3.29Å; V386-K390 VanDerWaalsContact O-CB 3.29Å; V386-K390 WeakPolarHBondContact O-CB 3.27Å; V386-K390 PolarHBondContact O-N 2.91Å |
| 387 | Q | 89.9 | Confident | 91.1 | Very high | 104 Ų | 104 | 61.1 Ų | 61.1 | 49% | 0.486 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.9 | -46 | -179.5 | -177.6 | 61.4 | 20.3 | 0 | 0 | 111.3 | D385 I389 K390 E391 | D385-Q387 VanDerWaalsContact C-N 3.29Å; D385-Q387 PolarHBondContact O-N 2.97Å; Q387-I389 PolarHBondContact O-N 3.47Å; Q387-K390 WeakPolarHBondContact O-CB 3.23Å; Q387-K390 PolarHBondContact O-N 3.09Å; Q387-E391 PolarHBondContact NE2-OE1 2.97Å; Q387-E391 WeakPolarHBondContact O-CG 3.42Å; Q387-E391 PolarHBondContact O-N 3.26Å |
| 388 | Q | 89.7 | Confident | 90.7 | Very high | 52 Ų | 52 | 64.2 Ų | 64.2 | 24% | 0.243 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 177.8 | -173.6 | -175.7 | 29.3 | 0 | 0 | 111.4 | I303 L352 D385 E391 R392 | I303-Q388 PolarHBondContact O-NE2 3.38Å; I303-Q388 PolarHBondContact O-OE1 3.13Å; L352-Q388 VanDerWaalsContact CD1-OE1 3.25Å; D385-Q388 PolarHBondContact O-N 2.99Å; Q388-E391 PolarHBondContact O-N 2.85Å; Q388-R392 WeakPolarHBondContact O-CB 3.38Å; Q388-R392 PolarHBondContact O-N 3.14Å |
| 389 | I | 92.7 | Very high | 90.2 | Very high | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.036 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 175.6 | -70.3 | -60 | 0 | 0 | 0 | 111 | V336 F339 L352 D385 V386 Q387 R392 M393 | V336-I389 HydrophobicContact CG1-CD1 4.19Å; V336-I389 HydrophobicContact CG2-CD1 3.83Å; F339-I389 HydrophobicContact CD1-CD1 4.4Å; F339-I389 HydrophobicContact CD1-CG1 4.15Å; F339-I389 HydrophobicContact CD1-CG2 4.32Å; F339-I389 HydrophobicContact CE1-CB 4.34Å; F339-I389 HydrophobicContact CE1-CG1 3.92Å; F339-I389 HydrophobicContact CE1-CG2 3.94Å; F339-I389 HydrophobicContact CE2-CG1 4.29Å; F339-I389 HydrophobicContact CG-CG1 4.48Å; F339-I389 HydrophobicContact CZ-CG1 3.98Å; L352-I389 HydrophobicContact CD1-CD1 4.29Å; L352-I389 HydrophobicContact CD2-CD1 3.9Å; L352-I389 HydrophobicContact CG-CD1 4.42Å; D385-I389 WeakPolarHBondContact O-CG1 3.37Å; D385-I389 PolarHBondContact O-N 2.97Å; V386-I389 PolarHBondContact O-N 3.29Å; Q387-I389 PolarHBondContact O-N 3.47Å; I389-R392 PolarHBondContact O-N 3.08Å; I389-M393 HydrophobicContact CG2-CG 4.4Å; I389-M393 HydrophobicContact CG2-SD 4Å; I389-M393 VanDerWaalsContact O-CG 3.28Å; I389-M393 WeakPolarHBondContact O-CG 3.49Å; I389-M393 PolarHBondContact O-N 3.02Å |
| 390 | K | 93.2 | Very high | 89.8 | Confident | 102 Ų | 102 | 71.1 Ų | 71.1 | 44% | 0.443 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 177.9 | -179.7 | -172.8 | 168.1 | -169.4 | 0 | 111.3 | V386 Q387 R392 M393 E394 | V386-K390 VanDerWaalsContact O-CB 3.29Å; V386-K390 WeakPolarHBondContact O-CB 3.27Å; V386-K390 PolarHBondContact O-N 2.91Å; Q387-K390 WeakPolarHBondContact O-CB 3.23Å; Q387-K390 PolarHBondContact O-N 3.09Å; K390-R392 VanDerWaalsContact C-N 3.31Å; K390-R392 PolarHBondContact O-N 3.03Å; K390-M393 WeakPolarHBondContact O-CB 3.48Å; K390-M393 PolarHBondContact O-N 3.11Å; K390-E394 WeakPolarHBondContact CE-OE1 3.39Å; K390-E394 IonicContact NZ-OE1 3.67Å; K390-E394 WeakPolarHBondContact O-CG 3.44Å; K390-E394 PolarHBondContact O-N 3.44Å |
| 391 | E | 91.5 | Very high | 89.3 | Confident | 103 Ų | 103 | 75.1 Ų | 75.1 | 48% | 0.481 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 179 | -72.5 | 170.9 | -173.2 | 0 | 0 | 111.6 | Q387 Q388 M393 E394 A395 | Q387-E391 PolarHBondContact NE2-OE1 2.97Å; Q387-E391 WeakPolarHBondContact O-CG 3.42Å; Q387-E391 PolarHBondContact O-N 3.26Å; Q388-E391 PolarHBondContact O-N 2.85Å; E391-M393 PolarHBondContact O-N 2.64Å; E391-E394 PolarHBondContact O-N 2.83Å; E391-A395 WeakPolarHBondContact O-CB 3.46Å; E391-A395 PolarHBondContact O-N 2.98Å |
| 392 | R | 89.7 | Confident | 88.8 | Confident | 69 Ų | 69 | 74.3 Ų | 74.3 | 26% | 0.26 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 175.5 | -169 | 177.9 | -173.8 | 160 | 8.7 | 112.1 | E333 Q388 I389 K390 E394 A395 A396 | E333-R392 IonicContact OE1-CZ 2.78Å; E333-R392 IonicContact OE1-NH2 3.84Å; E333-R392 PolarHBondContact OE1-NH2 3.27Å; E333-R392 IonicContact OE2-CZ 3.4Å; E333-R392 IonicContact OE2-NH2 3.11Å; E333-R392 PolarHBondContact OE2-NH2 2.92Å; Q388-R392 WeakPolarHBondContact O-CB 3.38Å; Q388-R392 PolarHBondContact O-N 3.14Å; I389-R392 PolarHBondContact O-N 3.08Å; K390-R392 VanDerWaalsContact C-N 3.31Å; K390-R392 PolarHBondContact O-N 3.03Å; R392-E394 VanDerWaalsContact C-N 3.35Å; R392-A395 PolarHBondContact O-N 3.04Å; R392-A396 PolarHBondContact O-N 3.22Å |
| 393 | M | 87.9 | Confident | 88.4 | Confident | 82 Ų | 82 | 79.2 Ų | 79.2 | 40% | 0.404 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65 | -37.9 | 176.6 | -71.7 | 176.6 | 67.7 | 0 | 0 | 112.4 | H340 I389 K390 E391 | H340-M393 PolarHBondContact CE1-SD 3.4Å; I389-M393 HydrophobicContact CG2-CG 4.4Å; I389-M393 HydrophobicContact CG2-SD 4Å; I389-M393 VanDerWaalsContact O-CG 3.28Å; I389-M393 WeakPolarHBondContact O-CG 3.49Å; I389-M393 PolarHBondContact O-N 3.02Å; K390-M393 WeakPolarHBondContact O-CB 3.48Å; K390-M393 PolarHBondContact O-N 3.11Å; E391-M393 PolarHBondContact O-N 2.64Å |
| 394 | E | 90.7 | Very high | 88.1 | Confident | 104 Ų | 104 | 78.4 Ų | 78.4 | 49% | 0.486 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -70.5 | -35.8 | 177.6 | -72.8 | 175.6 | 169.1 | 0 | 0 | 111.9 | K390 E391 R392 A396 Q397 | K390-E394 WeakPolarHBondContact CE-OE1 3.39Å; K390-E394 IonicContact NZ-OE1 3.67Å; K390-E394 WeakPolarHBondContact O-CG 3.44Å; K390-E394 PolarHBondContact O-N 3.44Å; E391-E394 PolarHBondContact O-N 2.83Å; R392-E394 VanDerWaalsContact C-N 3.35Å; E394-A396 VanDerWaalsContact C-N 3.29Å; E394-A396 PolarHBondContact O-N 3.14Å; E394-Q397 PolarHBondContact O-N 3.05Å |
| 395 | A | 88.3 | Confident | 88 | Confident | 86 Ų | 86 | 83.1 Ų | 83.1 | 71% | 0.711 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -72.1 | -19.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E391 R392 | E391-A395 WeakPolarHBondContact O-CB 3.46Å; E391-A395 PolarHBondContact O-N 2.98Å; R392-A395 PolarHBondContact O-N 3.04Å |
| 396 | A | 80.1 | Confident | 87.8 | Confident | 89 Ų | 89 | 89.9 Ų | 89.9 | 74% | 0.736 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -6.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R392 E394 | R392-A396 PolarHBondContact O-N 3.22Å; E394-A396 VanDerWaalsContact C-N 3.29Å; E394-A396 PolarHBondContact O-N 3.14Å |
| 397 | Q | 67.7 | Low | 87.4 | Confident | 215 Ų | 215 | 92.1 Ų | 92.1 | 100% | 1.005 | 48% | 0.481 | S | S | * | . | trans | -94.9 | 0 | 175.4 | -68.2 | 179 | 7.7 | 0 | 0 | 110.7 | E394 | E394-Q397 PolarHBondContact O-N 3.05Š|
Retrieved 397 of 397 residues in 911.7 ms
(Link to these results)