| 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 | D | 37.9 | Very low | 59.1 | Low | 126 Ų | 126 | 86 Ų | 86 | 67% | 0.674 | 44% | 0.436 | S | S | * | . | 0 | 82.5 | 0 | -158.8 | -7.1 | 0 | 0 | 0 | 108.4 | T3 R4 N5 | D1-T3 PolarHBondContact O-N 3.24Å; D1-R4 HydrophobicContact CB-CB 4.44Å; D1-R4 PolarHBondContact O-N 2.81Å; D1-R4 WeakPolarHBondContact OD2-CD 3.5Å; D1-R4 IonicContact OD2-NH1 3.96Å; D1-N5 PolarHBondContact O-N 3.29Å; D1-N5 VanDerWaalsContact O-N 3.15Å | |||
| 2 | V | 34.6 | Very low | 62 | Low | 98 Ų | 98 | 79.6 Ų | 79.6 | 59% | 0.594 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -12 | -160.9 | 177.6 | 0 | 0 | 0 | 0 | 112.8 | V6 | V2-V6 WeakPolarHBondContact O-CG2 3.39Å; V2-V6 PolarHBondContact O-N 2.74Å |
| 3 | T | 37.3 | Very low | 64.4 | Low | 54 Ų | 54 | 74.8 Ų | 74.8 | 33% | 0.331 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -11.7 | 177.1 | 47.7 | 0 | 0 | 0 | 0 | 115 | D1 I26 M29 | D1-T3 PolarHBondContact O-N 3.24Å; T3-I26 HydrophobicContact CG2-CB 4.08Å; T3-I26 HydrophobicContact CG2-CG2 3.5Å; T3-M29 HydrophobicContact CG2-CB 4.39Å; T3-M29 HydrophobicContact CG2-CE 3.61Å; T3-M29 HydrophobicContact CG2-CG 4.34Å; T3-M29 HydrophobicContact CG2-SD 3.18Å; T3-M29 WeakPolarHBondContact CG2-SD 3.38Å; T3-M29 WeakPolarHBondContact OG1-CE 2.85Å; T3-M29 PolarHBondContact OG1-SD 3.21Å; T3-M29 VanDerWaalsContact OG1-SD 3.37Å |
| 4 | R | 41 | Very low | 66.6 | Low | 201 Ų | 201 | 71.6 Ų | 71.6 | 76% | 0.758 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -21.8 | 164.5 | -73.3 | -170.1 | 178.5 | 163.3 | -5.2 | 112.2 | D1 | D1-R4 HydrophobicContact CB-CB 4.44Å; D1-R4 PolarHBondContact O-N 2.81Å; D1-R4 WeakPolarHBondContact OD2-CD 3.5Å; D1-R4 IonicContact OD2-NH1 3.96Å |
| 5 | N | 46.5 | Very low | 68.6 | Low | 112 Ų | 112 | 67.8 Ų | 67.8 | 60% | 0.599 | 35% | 0.353 | S | S | * | . | trans | -133.5 | 41.7 | -175.6 | -74.4 | -20 | 0 | 0 | 0 | 113.1 | D1 L7 | D1-N5 PolarHBondContact O-N 3.29Å; D1-N5 VanDerWaalsContact O-N 3.15Å; N5-L7 PolarHBondContact O-N 3.02Å | ||
| 6 | V | 53.4 | Low | 70.3 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 21% | 0.212 | 33% | 0.332 | C | S | . | . | trans | -66.4 | 117.8 | 155 | -168.7 | 0 | 0 | 0 | 0 | 105 | V2 S8 Q10 N11 | V2-V6 WeakPolarHBondContact O-CG2 3.39Å; V2-V6 PolarHBondContact O-N 2.74Å; V6-S8 PolarHBondContact O-N 3.3Å; V6-Q10 HydrophobicContact CG1-CB 3.78Å; V6-N11 HydrophobicContact CB-CB 4.11Å; V6-N11 HydrophobicContact CG1-CB 3.75Å | ||
| 7 | L | 66.8 | Low | 71.8 | Confident | 83 Ų | 83 | 63.5 Ų | 63.5 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | trans | -52.5 | 137.2 | 170.5 | -67.3 | 170.2 | 0 | 0 | 0 | 107.6 | N5 E9 Q10 N11 | N5-L7 PolarHBondContact O-N 3.02Å; L7-E9 PolarHBondContact O-N 2.72Å; L7-Q10 PolarHBondContact O-N 3Å; L7-N11 PolarHBondContact O-N 3.14Å | ||
| 8 | S | 75.5 | Confident | 73.2 | Confident | 29 Ų | 29 | 65.1 Ų | 65.1 | 20% | 0.203 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -27.6 | -178.2 | 45.7 | 0 | 0 | 0 | 0 | 113.2 | V6 Q10 Q65 E66 E69 | V6-S8 PolarHBondContact O-N 3.3Å; S8-Q10 VanDerWaalsContact C-N 3.34Å; S8-Q10 PolarHBondContact O-N 3.39Å; S8-Q65 WeakPolarHBondContact CB-O 3.36Å; S8-E66 WeakPolarHBondContact CB-O 3.23Å; S8-E69 PolarHBondContact O-N 3.12Å |
| 9 | E | 80.6 | Confident | 74.4 | Confident | 81 Ų | 81 | 67.7 Ų | 67.7 | 38% | 0.379 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -35.6 | 174.9 | -61.3 | 168.6 | -159 | 0 | 0 | 113.5 | L7 | L7-E9 PolarHBondContact O-N 2.72Š|
| 10 | Q | 86.1 | Confident | 75.4 | Confident | 95 Ų | 95 | 64.9 Ų | 64.9 | 44% | 0.444 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -14 | -174.8 | -66.5 | 179 | -13.7 | 0 | 0 | 113 | V6 L7 S8 M12 F16 L540 | V6-Q10 HydrophobicContact CG1-CB 3.78Å; L7-Q10 PolarHBondContact O-N 3Å; S8-Q10 VanDerWaalsContact C-N 3.34Å; S8-Q10 PolarHBondContact O-N 3.39Å; Q10-M12 PolarHBondContact O-N 3.26Å; Q10-F16 VanDerWaalsContact O-CZ 3.31Å; Q10-F16 WeakPolarHBondContact O-CZ 3.48Å; Q10-L540 HydrophobicContact CB-CD1 4.07Å; Q10-L540 HydrophobicContact CG-CD2 4.45Å |
| 11 | N | 90.9 | Very high | 76.4 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 17% | 0.171 | 32% | 0.322 | C | S | . | . | trans | -78.9 | 114.5 | -175.9 | -177.2 | 20.6 | 0 | 0 | 0 | 111.7 | V6 L7 G13 R67 N68 | V6-N11 HydrophobicContact CB-CB 4.11Å; V6-N11 HydrophobicContact CG1-CB 3.75Å; L7-N11 PolarHBondContact O-N 3.14Å; N11-G13 PolarHBondContact OD1-N 3.24Å; N11-R67 VanDerWaalsContact CB-O 3.29Å; N11-R67 WeakPolarHBondContact CB-O 3.32Å; N11-R67 PolarHBondContact ND2-O 3.28Å; N11-N68 WeakPolarHBondContact O-CB 3.28Å; N11-N68 PolarHBondContact O-ND2 3.46Å; N11-N68 VanDerWaalsContact O-ND2 3.08Å; N11-N68 PolarHBondContact O-OD1 3.03Å | ||
| 12 | M | 93.1 | Very high | 79.1 | Confident | 9 Ų | 9 | 61.7 Ų | 61.7 | 4% | 0.044 | 32% | 0.316 | C | S | . | . | trans | -96.9 | 1.2 | 177.8 | -53.1 | -166.5 | -86.9 | 0 | 0 | 113.5 | Q10 M14 A15 F16 Q40 Y537 L540 | Q10-M12 PolarHBondContact O-N 3.26Å; M12-M14 PolarHBondContact O-N 3.42Å; M12-A15 HydrophobicContact CB-CB 4.14Å; M12-A15 WeakPolarHBondContact O-CB 3.49Å; M12-A15 PolarHBondContact O-N 3.07Å; M12-F16 HydrophobicContact CB-CD1 4.22Å; M12-F16 HydrophobicContact CB-CD2 4.13Å; M12-F16 HydrophobicContact CB-CE1 4.14Å; M12-F16 HydrophobicContact CB-CE2 4.05Å; M12-F16 HydrophobicContact CB-CG 4.2Å; M12-F16 HydrophobicContact CB-CZ 4.05Å; M12-F16 HydrophobicContact CE-CD1 3.28Å; M12-F16 HydrophobicContact CE-CE1 3.27Å; M12-F16 HydrophobicContact CE-CG 4.28Å; M12-F16 HydrophobicContact CE-CZ 4.28Å; M12-F16 HydrophobicContact CG-CD1 4.4Å; M12-F16 HydrophobicContact CG-CE1 3.99Å; M12-F16 HydrophobicContact CG-CZ 4.09Å; M12-F16 VanDerWaalsContact N-CE2 3.3Å; M12-F16 HydrophobicContact SD-CE1 4.44Å; M12-Q40 PolarHBondContact O-NE2 3.3Å; M12-Q40 PolarHBondContact O-OE1 3.09Å; M12-Y537 HydrophobicContact CB-CD1 4.03Å; M12-Y537 HydrophobicContact CB-CD2 4.48Å; M12-Y537 HydrophobicContact CB-CE1 3.95Å; M12-Y537 HydrophobicContact CB-CE2 4.4Å; M12-Y537 HydrophobicContact CB-CG 4.32Å; M12-Y537 HydrophobicContact CG-CD1 3.56Å; M12-Y537 HydrophobicContact CG-CE1 3.9Å; M12-Y537 HydrophobicContact CG-CG 3.97Å; M12-Y537 WeakPolarHBondContact SD-CB 3.29Å; M12-Y537 HydrophobicContact SD-CD1 3.79Å; M12-Y537 HydrophobicContact SD-CD2 4.35Å; M12-Y537 HydrophobicContact SD-CG 3.64Å; M12-L540 HydrophobicContact CE-CG 4.2Å | ||
| 13 | G | 93.3 | Very high | 81.9 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | 57.5 | -128.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N11 A15 F16 L30 | N11-G13 PolarHBondContact OD1-N 3.24Å; G13-A15 PolarHBondContact O-N 3.03Å; G13-F16 WeakPolarHBondContact O-CD2 3.48Å; G13-L30 WeakPolarHBondContact O-CD1 2.98Å |
| 14 | M | 95.3 | Very high | 84.5 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 15% | 0.148 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -76 | 1.8 | 178.4 | -70.8 | -166 | -77.1 | 0 | 0 | 114.2 | M12 R21 P31 V34 E35 | M12-M14 PolarHBondContact O-N 3.42Å; M14-R21 PolarHBondContact O-NH2 3.31Å; M14-P31 HydrophobicContact SD-CB 3.81Å; M14-P31 HydrophobicContact SD-CG 3.77Å; M14-V34 CarbonylContact O-C 3.57Å; M14-V34 WeakPolarHBondContact O-CA 3.5Å; M14-E35 HydrophobicContact CB-CB 4.09Å; M14-E35 HydrophobicContact CB-CG 3.96Å; M14-E35 HydrophobicContact CE-CG 4.24Å; M14-E35 WeakPolarHBondContact CE-OE2 3.34Å; M14-E35 PolarHBondContact O-N 2.62Å; M14-E35 HydrophobicContact SD-CG 4.46Å |
| 15 | A | 96.6 | Very high | 87 | Confident | 15 Ų | 15 | 55 Ų | 55 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -84.1 | -13.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | M12 G13 T17 E35 Y537 | M12-A15 HydrophobicContact CB-CB 4.14Å; M12-A15 WeakPolarHBondContact O-CB 3.49Å; M12-A15 PolarHBondContact O-N 3.07Å; G13-A15 PolarHBondContact O-N 3.03Å; A15-T17 PolarHBondContact O-N 3.23Å; A15-T17 VanDerWaalsContact O-N 3.14Å; A15-E35 WeakPolarHBondContact CA-O 3.37Å; A15-E35 VanDerWaalsContact CB-O 3.29Å; A15-E35 WeakPolarHBondContact CB-O 3.39Å; A15-Y537 HydrophobicContact CB-CD2 3.78Å; A15-Y537 HydrophobicContact CB-CE2 3.45Å; A15-Y537 VanDerWaalsContact CB-CE2 3.45Å |
| 16 | F | 96.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -53.1 | 123.5 | 166.5 | -74 | -65.5 | 0 | 0 | 0 | 109.9 | Q10 M12 G13 E20 R21 L24 I26 L30 L540 | Q10-F16 VanDerWaalsContact O-CZ 3.31Å; Q10-F16 WeakPolarHBondContact O-CZ 3.48Å; M12-F16 HydrophobicContact CB-CD1 4.22Å; M12-F16 HydrophobicContact CB-CD2 4.13Å; M12-F16 HydrophobicContact CB-CE1 4.14Å; M12-F16 HydrophobicContact CB-CE2 4.05Å; M12-F16 HydrophobicContact CB-CG 4.2Å; M12-F16 HydrophobicContact CB-CZ 4.05Å; M12-F16 HydrophobicContact CE-CD1 3.28Å; M12-F16 HydrophobicContact CE-CE1 3.27Å; M12-F16 HydrophobicContact CE-CG 4.28Å; M12-F16 HydrophobicContact CE-CZ 4.28Å; M12-F16 HydrophobicContact CG-CD1 4.4Å; M12-F16 HydrophobicContact CG-CE1 3.99Å; M12-F16 HydrophobicContact CG-CZ 4.09Å; M12-F16 VanDerWaalsContact N-CE2 3.3Å; M12-F16 HydrophobicContact SD-CE1 4.44Å; G13-F16 WeakPolarHBondContact O-CD2 3.48Å; F16-E20 HydrophobicContact CB-CB 4.48Å; F16-E20 HydrophobicContact CD1-CB 4.1Å; F16-R21 HydrophobicContact CB-CG 3.76Å; F16-R21 PolarHBondContact O-NE 2.73Å; F16-R21 PolarHBondContact O-NH2 3.23Å; F16-R21 VanDerWaalsContact O-NH2 3.16Å; F16-L24 HydrophobicContact CD1-CD1 4.07Å; F16-L24 HydrophobicContact CE1-CD1 3.79Å; F16-I26 HydrophobicContact CB-CD1 4.28Å; F16-I26 HydrophobicContact CD1-CD1 4.17Å; F16-I26 HydrophobicContact CD2-CD1 3.55Å; F16-I26 HydrophobicContact CE1-CD1 4.42Å; F16-I26 HydrophobicContact CE2-CD1 3.83Å; F16-I26 HydrophobicContact CG-CD1 3.76Å; F16-I26 HydrophobicContact CZ-CD1 4.27Å; F16-L30 HydrophobicContact CD2-CD1 4Å; F16-L540 HydrophobicContact CE1-CD1 3.75Å; F16-L540 HydrophobicContact CE1-CG 4.5Å; F16-L540 HydrophobicContact CZ-CD1 4.22Å |
| 17 | T | 96.2 | Very high | 91.1 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 36% | 0.356 | 29% | 0.291 | S | S | . | . | trans | -63.4 | 162.6 | 173.6 | 62.8 | 0 | 0 | 0 | 0 | 110.6 | A15 Q19 E20 R21 | A15-T17 PolarHBondContact O-N 3.23Å; A15-T17 VanDerWaalsContact O-N 3.14Å; T17-Q19 PolarHBondContact O-N 3.12Å; T17-E20 WeakPolarHBondContact CB-OE2 3.25Å; T17-E20 WeakPolarHBondContact CG2-OE2 3.26Å; T17-E20 PolarHBondContact N-OE2 3.33Å; T17-E20 PolarHBondContact O-N 3.24Å; T17-E20 WeakPolarHBondContact OG1-CB 3.44Å; T17-E20 VanDerWaalsContact OG1-CD 3.32Å; T17-E20 VanDerWaalsContact OG1-CG 3.25Å; T17-E20 WeakPolarHBondContact OG1-CG 3.27Å; T17-E20 PolarHBondContact OG1-N 2.93Å; T17-E20 VanDerWaalsContact OG1-N 3.14Å; T17-E20 PolarHBondContact OG1-OE2 3.09Å; T17-R21 VanDerWaalsContact O-CG 3.24Å; T17-R21 WeakPolarHBondContact O-CG 3.44Å; T17-R21 PolarHBondContact O-N 3.45Å | ||
| 18 | L | 96.4 | Very high | 92.4 | Very high | 92 Ų | 92 | 53.1 Ų | 53.1 | 48% | 0.482 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.2 | -41.3 | 176.1 | 178.3 | 60.2 | 0 | 0 | 0 | 111.7 | R21 Q22 | L18-R21 PolarHBondContact O-N 3.05Å; L18-Q22 HydrophobicContact CD1-CG 4.32Å; L18-Q22 WeakPolarHBondContact O-CG 3.48Å; L18-Q22 PolarHBondContact O-N 3.2Å |
| 19 | Q | 96 | Very high | 93.3 | Very high | 116 Ų | 116 | 57.2 Ų | 57.2 | 54% | 0.542 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 178.6 | -175.4 | 179 | 6 | 0 | 0 | 111.5 | T17 R21 Q22 I23 L541 | T17-Q19 PolarHBondContact O-N 3.12Å; Q19-R21 VanDerWaalsContact C-N 3.29Å; Q19-R21 PolarHBondContact O-N 3.14Å; Q19-Q22 PolarHBondContact O-N 3.3Å; Q19-I23 HydrophobicContact CG-CD1 3.68Å; Q19-I23 HydrophobicContact CG-CG1 4.43Å; Q19-I23 WeakPolarHBondContact O-CB 3.49Å; Q19-I23 WeakPolarHBondContact O-CG1 3.16Å; Q19-I23 PolarHBondContact O-N 2.83Å; Q19-L541 HydrophobicContact CG-CD1 3.87Å |
| 20 | E | 94.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 174.3 | -76.1 | 164.4 | 148.7 | 0 | 0 | 111.6 | F16 T17 Q22 I23 L24 S539 L541 | F16-E20 HydrophobicContact CB-CB 4.48Å; F16-E20 HydrophobicContact CD1-CB 4.1Å; T17-E20 WeakPolarHBondContact CB-OE2 3.25Å; T17-E20 WeakPolarHBondContact CG2-OE2 3.26Å; T17-E20 PolarHBondContact N-OE2 3.33Å; T17-E20 PolarHBondContact O-N 3.24Å; T17-E20 WeakPolarHBondContact OG1-CB 3.44Å; T17-E20 VanDerWaalsContact OG1-CD 3.32Å; T17-E20 VanDerWaalsContact OG1-CG 3.25Å; T17-E20 WeakPolarHBondContact OG1-CG 3.27Å; T17-E20 PolarHBondContact OG1-N 2.93Å; T17-E20 VanDerWaalsContact OG1-N 3.14Å; T17-E20 PolarHBondContact OG1-OE2 3.09Å; E20-Q22 VanDerWaalsContact C-N 3.31Å; E20-Q22 PolarHBondContact O-N 3.27Å; E20-I23 PolarHBondContact O-N 3.2Å; E20-L24 HydrophobicContact CB-CD1 4.2Å; E20-L24 WeakPolarHBondContact O-CB 3.41Å; E20-L24 WeakPolarHBondContact O-CG 3.48Å; E20-L24 PolarHBondContact O-N 3.23Å; E20-S539 PolarHBondContact OE1-OG 3.33Å; E20-L541 HydrophobicContact CG-CD1 3.95Å; E20-L541 HydrophobicContact CG-CD2 3.98Å; E20-L541 HydrophobicContact CG-CG 3.68Å |
| 21 | R | 95.2 | Very high | 94.4 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 178.6 | -67.9 | 173.5 | -162.3 | -156.7 | 2.6 | 112.5 | M14 F16 T17 L18 Q19 G25 I26 H27 L30 P31 K33 | M14-R21 PolarHBondContact O-NH2 3.31Å; F16-R21 HydrophobicContact CB-CG 3.76Å; F16-R21 PolarHBondContact O-NE 2.73Å; F16-R21 PolarHBondContact O-NH2 3.23Å; F16-R21 VanDerWaalsContact O-NH2 3.16Å; T17-R21 VanDerWaalsContact O-CG 3.24Å; T17-R21 WeakPolarHBondContact O-CG 3.44Å; T17-R21 PolarHBondContact O-N 3.45Å; L18-R21 PolarHBondContact O-N 3.05Å; Q19-R21 VanDerWaalsContact C-N 3.29Å; Q19-R21 PolarHBondContact O-N 3.14Å; R21-G25 PolarHBondContact O-N 3.23Å; R21-I26 HydrophobicContact CB-CG1 3.99Å; R21-I26 HydrophobicContact CG-CD1 4.21Å; R21-I26 HydrophobicContact CG-CG1 4.04Å; R21-I26 PolarHBondContact O-N 2.98Å; R21-H27 HydrophobicContact CB-CB 4.09Å; R21-H27 PolarHBondContact O-N 3.3Å; R21-L30 HydrophobicContact CG-CD1 4.44Å; R21-P31 PolarHBondContact NH1-O 3.45Å; R21-K33 PolarHBondContact NH2-O 3.27Å |
| 22 | Q | 95.3 | Very high | 94.6 | Very high | 117 Ų | 117 | 59.6 Ų | 59.6 | 55% | 0.547 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.9 | -47.5 | 179.8 | -72.3 | 171.3 | -26.6 | 0 | 0 | 111.3 | L18 Q19 E20 G25 H27 | L18-Q22 HydrophobicContact CD1-CG 4.32Å; L18-Q22 WeakPolarHBondContact O-CG 3.48Å; L18-Q22 PolarHBondContact O-N 3.2Å; Q19-Q22 PolarHBondContact O-N 3.3Å; E20-Q22 VanDerWaalsContact C-N 3.31Å; E20-Q22 PolarHBondContact O-N 3.27Å; Q22-G25 PolarHBondContact O-N 3.27Å; Q22-H27 HydrophobicContact CG-CB 4.32Å |
| 23 | I | 94 | Very high | 94.8 | Very high | 101 Ų | 101 | 64.5 Ų | 64.5 | 52% | 0.518 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.4 | -42 | -176.8 | -67 | 175.6 | 0 | 0 | 0 | 111.5 | Q19 E20 G25 L541 | Q19-I23 HydrophobicContact CG-CD1 3.68Å; Q19-I23 HydrophobicContact CG-CG1 4.43Å; Q19-I23 WeakPolarHBondContact O-CB 3.49Å; Q19-I23 WeakPolarHBondContact O-CG1 3.16Å; Q19-I23 PolarHBondContact O-N 2.83Å; E20-I23 PolarHBondContact O-N 3.2Å; I23-G25 PolarHBondContact O-N 3.07Å; I23-L541 HydrophobicContact CB-CD2 3.88Å; I23-L541 HydrophobicContact CD1-CD1 4.22Å; I23-L541 HydrophobicContact CD1-CD2 3.68Å; I23-L541 HydrophobicContact CG1-CD2 4.35Å; I23-L541 HydrophobicContact CG2-CD2 3.8Å |
| 24 | L | 91.8 | Very high | 94.9 | Very high | 55 Ų | 55 | 67.1 Ų | 67.1 | 29% | 0.288 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -3.5 | 178.6 | -59.4 | 171.9 | 0 | 0 | 0 | 113 | F16 E20 I26 L540 | F16-L24 HydrophobicContact CD1-CD1 4.07Å; F16-L24 HydrophobicContact CE1-CD1 3.79Å; E20-L24 HydrophobicContact CB-CD1 4.2Å; E20-L24 WeakPolarHBondContact O-CB 3.41Å; E20-L24 WeakPolarHBondContact O-CG 3.48Å; E20-L24 PolarHBondContact O-N 3.23Å; L24-I26 VanDerWaalsContact C-N 3.35Å; L24-I26 HydrophobicContact CB-CG1 4.34Å; L24-I26 HydrophobicContact CB-CG2 4.42Å; L24-I26 PolarHBondContact O-N 3.38Å; L24-L540 HydrophobicContact CD1-CB 4.2Å; L24-L540 HydrophobicContact CD1-CD1 4.06Å; L24-L540 HydrophobicContact CD2-CB 4.42Å |
| 25 | G | 93.1 | Very high | 94.9 | Very high | 58 Ų | 58 | 66.8 Ų | 66.8 | 60% | 0.598 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 26.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R21 Q22 I23 | R21-G25 PolarHBondContact O-N 3.23Å; Q22-G25 PolarHBondContact O-N 3.27Å; I23-G25 PolarHBondContact O-N 3.07Å |
| 26 | I | 92.4 | Very high | 94.9 | Very high | 9 Ų | 9 | 69.3 Ų | 69.3 | 5% | 0.046 | 40% | 0.399 | C | S | . | . | trans | -108.5 | 2.4 | -179.4 | 66.5 | 173.2 | 0 | 0 | 0 | 112.9 | T3 F16 R21 L24 G28 M29 L30 | T3-I26 HydrophobicContact CG2-CB 4.08Å; T3-I26 HydrophobicContact CG2-CG2 3.5Å; F16-I26 HydrophobicContact CB-CD1 4.28Å; F16-I26 HydrophobicContact CD1-CD1 4.17Å; F16-I26 HydrophobicContact CD2-CD1 3.55Å; F16-I26 HydrophobicContact CE1-CD1 4.42Å; F16-I26 HydrophobicContact CE2-CD1 3.83Å; F16-I26 HydrophobicContact CG-CD1 3.76Å; F16-I26 HydrophobicContact CZ-CD1 4.27Å; R21-I26 HydrophobicContact CB-CG1 3.99Å; R21-I26 HydrophobicContact CG-CD1 4.21Å; R21-I26 HydrophobicContact CG-CG1 4.04Å; R21-I26 PolarHBondContact O-N 2.98Å; L24-I26 VanDerWaalsContact C-N 3.35Å; L24-I26 HydrophobicContact CB-CG1 4.34Å; L24-I26 HydrophobicContact CB-CG2 4.42Å; L24-I26 PolarHBondContact O-N 3.38Å; I26-G28 PolarHBondContact O-N 2.93Å; I26-M29 WeakPolarHBondContact O-CB 3.34Å; I26-M29 PolarHBondContact O-N 3.31Å; I26-M29 VanDerWaalsContact O-N 3.11Å; I26-L30 HydrophobicContact CD1-CD1 4.17Å | ||
| 27 | H | 94.6 | Very high | 94.9 | Very high | 113 Ų | 113 | 70.2 Ų | 70.2 | 52% | 0.523 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 134.6 | 175.4 | -173.5 | 73.5 | 0 | 0 | 0 | 111.2 | R21 Q22 M29 | R21-H27 HydrophobicContact CB-CB 4.09Å; R21-H27 PolarHBondContact O-N 3.3Å; Q22-H27 HydrophobicContact CG-CB 4.32Å; H27-M29 VanDerWaalsContact C-N 3.29Å |
| 28 | G | 93.6 | Very high | 95 | Very high | 68 Ų | 68 | 71.8 Ų | 71.8 | 70% | 0.701 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -13.3 | -173 | 0 | 0 | 0 | 0 | 0 | 114.8 | I26 | I26-G28 PolarHBondContact O-N 2.93Š|
| 29 | M | 93.3 | Very high | 95 | Very high | 114 Ų | 114 | 70.4 Ų | 70.4 | 56% | 0.562 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -92.1 | -8.6 | 177.8 | -54.3 | -160.7 | 60.2 | 0 | 0 | 113.8 | T3 I26 H27 | T3-M29 HydrophobicContact CG2-CB 4.39Å; T3-M29 HydrophobicContact CG2-CE 3.61Å; T3-M29 HydrophobicContact CG2-CG 4.34Å; T3-M29 HydrophobicContact CG2-SD 3.18Å; T3-M29 WeakPolarHBondContact CG2-SD 3.38Å; T3-M29 WeakPolarHBondContact OG1-CE 2.85Å; T3-M29 PolarHBondContact OG1-SD 3.21Å; T3-M29 VanDerWaalsContact OG1-SD 3.37Å; I26-M29 WeakPolarHBondContact O-CB 3.34Å; I26-M29 PolarHBondContact O-N 3.31Å; I26-M29 VanDerWaalsContact O-N 3.11Å; H27-M29 VanDerWaalsContact C-N 3.29Å |
| 30 | L | 94.1 | Very high | 95 | Very high | 47 Ų | 47 | 65 Ų | 65 | 25% | 0.246 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -122.9 | 151.8 | 177.1 | -65.7 | 168.8 | 0 | 0 | 0 | 109.2 | G13 F16 R21 I26 | G13-L30 WeakPolarHBondContact O-CD1 2.98Å; F16-L30 HydrophobicContact CD2-CD1 4Å; R21-L30 HydrophobicContact CG-CD1 4.44Å; I26-L30 HydrophobicContact CD1-CD1 4.17Å |
| 31 | P | 96.2 | Very high | 95 | Very high | 72 Ų | 72 | 64.6 Ų | 64.6 | 47% | 0.468 | 38% | 0.376 | S | S | . | . | trans | -51.7 | 148.4 | 171.7 | -25.6 | 34.6 | 0 | 0 | 0 | 111.8 | M14 R21 K33 | M14-P31 HydrophobicContact SD-CB 3.81Å; M14-P31 HydrophobicContact SD-CG 3.77Å; R21-P31 PolarHBondContact NH1-O 3.45Å; P31-K33 PolarHBondContact O-N 3.39Å | ||
| 32 | P | 95.7 | Very high | 95 | Very high | 140 Ų | 140 | 68.4 Ų | 68.4 | 91% | 0.909 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -71.6 | 11.6 | -169.9 | 30.7 | -37.4 | 0 | 0 | 0 | 114.6 | ||
| 33 | K | 96.1 | Very high | 95 | Very high | 112 Ų | 112 | 67 Ų | 67 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | trans | -102.9 | 136.3 | 178.1 | -173.6 | 179.8 | 178.2 | -166.8 | 0 | 110.4 | R21 P31 E35 | R21-K33 PolarHBondContact NH2-O 3.27Å; P31-K33 PolarHBondContact O-N 3.39Å; K33-E35 HydrophobicContact CD-CG 4.21Å; K33-E35 HydrophobicContact CG-CG 4.27Å; K33-E35 IonicContact NZ-OE1 3.75Å | ||
| 34 | V | 96.7 | Very high | 95 | Very high | 72 Ų | 72 | 63 Ų | 63 | 44% | 0.436 | 36% | 0.363 | S | S | . | . | trans | -93.4 | 131.1 | 166 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | M14 | M14-V34 CarbonylContact O-C 3.57Å; M14-V34 WeakPolarHBondContact O-CA 3.5Å | ||
| 35 | E | 95.6 | Very high | 95 | Very high | 22 Ų | 22 | 61.8 Ų | 61.8 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | trans | -119.2 | 141.9 | -178.8 | -63.5 | -168.4 | 150.9 | 0 | 0 | 110.9 | M14 A15 K33 L39 Q40 R43 | M14-E35 HydrophobicContact CB-CB 4.09Å; M14-E35 HydrophobicContact CB-CG 3.96Å; M14-E35 HydrophobicContact CE-CG 4.24Å; M14-E35 WeakPolarHBondContact CE-OE2 3.34Å; M14-E35 PolarHBondContact O-N 2.62Å; M14-E35 HydrophobicContact SD-CG 4.46Å; A15-E35 WeakPolarHBondContact CA-O 3.37Å; A15-E35 VanDerWaalsContact CB-O 3.29Å; A15-E35 WeakPolarHBondContact CB-O 3.39Å; K33-E35 HydrophobicContact CD-CG 4.21Å; K33-E35 HydrophobicContact CG-CG 4.27Å; K33-E35 IonicContact NZ-OE1 3.75Å; E35-L39 HydrophobicContact CB-CD2 4.19Å; E35-L39 HydrophobicContact CG-CD2 3.95Å; E35-Q40 HydrophobicContact CB-CG 4.21Å; E35-R43 IonicContact OE1-NH1 3.69Å; E35-R43 IonicContact OE2-CZ 3.34Å; E35-R43 IonicContact OE2-NH1 3.08Å; E35-R43 PolarHBondContact OE2-NH1 3.01Å; E35-R43 VanDerWaalsContact OE2-NH1 3.08Å; E35-R43 IonicContact OE2-NH2 2.81Å; E35-R43 PolarHBondContact OE2-NH2 3.49Å | ||
| 36 | S | 96.4 | Very high | 95.1 | Very high | 69 Ų | 69 | 65 Ų | 65 | 48% | 0.483 | 35% | 0.353 | S | S | . | . | trans | -68 | 158 | 168.8 | 64 | 0 | 0 | 0 | 0 | 111.3 | D38 L39 Q40 | S36-D38 PolarHBondContact O-N 2.95Å; S36-L39 PolarHBondContact O-N 3.26Å; S36-L39 PolarHBondContact OG-N 2.89Å; S36-Q40 WeakPolarHBondContact O-CG 3.43Å; S36-Q40 PolarHBondContact O-N 2.9Å | ||
| 37 | Q | 96.3 | Very high | 95.2 | Very high | 22 Ų | 22 | 67 Ų | 67 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.4 | -39.3 | 174.3 | -165.5 | -179.3 | 51.7 | 0 | 0 | 111.7 | L39 Q40 A41 L71 R74 T535 Y537 | Q37-L39 PolarHBondContact O-N 3.44Å; Q37-Q40 WeakPolarHBondContact O-CB 3.42Å; Q37-Q40 PolarHBondContact O-N 3.05Å; Q37-Q40 VanDerWaalsContact O-N 3.15Å; Q37-A41 WeakPolarHBondContact O-CB 3.39Å; Q37-A41 PolarHBondContact O-N 3.22Å; Q37-L71 HydrophobicContact CG-CD1 4.07Å; Q37-R74 HydrophobicContact CG-CG 4.22Å; Q37-T535 PolarHBondContact NE2-O 3.16Å; Q37-T535 PolarHBondContact OE1-O 2.88Å; Q37-Y537 HydrophobicContact CB-CD2 3.92Å; Q37-Y537 HydrophobicContact CB-CE2 3.54Å; Q37-Y537 HydrophobicContact CG-CD2 4.08Å; Q37-Y537 HydrophobicContact CG-CE2 3.46Å; Q37-Y537 VanDerWaalsContact CG-CE2 3.46Å |
| 38 | D | 96.7 | Very high | 95.1 | Very high | 92 Ų | 92 | 61.8 Ų | 61.8 | 49% | 0.492 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | 177.3 | -65.1 | -37.2 | 0 | 0 | 0 | 112.9 | S36 Q40 A41 M42 R74 | S36-D38 PolarHBondContact O-N 2.95Å; D38-Q40 VanDerWaalsContact C-N 3.28Å; D38-Q40 PolarHBondContact O-N 3.21Å; D38-A41 PolarHBondContact O-N 3.43Å; D38-M42 WeakPolarHBondContact O-CB 3.41Å; D38-M42 PolarHBondContact O-N 3.33Å; D38-R74 IonicContact OD1-CZ 3.79Å; D38-R74 IonicContact OD1-NE 3.56Å; D38-R74 IonicContact OD1-NH2 3.78Å; D38-R74 PolarHBondContact OD1-NH2 2.99Å |
| 39 | L | 96.5 | Very high | 95.1 | Very high | 63 Ų | 63 | 65.6 Ų | 65.6 | 33% | 0.33 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.2 | -36.4 | 177.7 | -176.4 | 61.2 | 0 | 0 | 0 | 111 | E35 S36 Q37 R43 | E35-L39 HydrophobicContact CB-CD2 4.19Å; E35-L39 HydrophobicContact CG-CD2 3.95Å; S36-L39 PolarHBondContact O-N 3.26Å; S36-L39 PolarHBondContact OG-N 2.89Å; Q37-L39 PolarHBondContact O-N 3.44Å; L39-R43 PolarHBondContact O-N 3Å |
| 40 | Q | 96.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 67.6 Ų | 67.6 | 1% | 0.014 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.3 | -49.4 | 172.8 | -59.4 | -177.6 | 8.5 | 0 | 0 | 110.8 | M12 E35 S36 Q37 D38 M42 R43 F44 L71 Y537 | M12-Q40 PolarHBondContact O-NE2 3.3Å; M12-Q40 PolarHBondContact O-OE1 3.09Å; E35-Q40 HydrophobicContact CB-CG 4.21Å; S36-Q40 WeakPolarHBondContact O-CG 3.43Å; S36-Q40 PolarHBondContact O-N 2.9Å; Q37-Q40 WeakPolarHBondContact O-CB 3.42Å; Q37-Q40 PolarHBondContact O-N 3.05Å; Q37-Q40 VanDerWaalsContact O-N 3.15Å; D38-Q40 VanDerWaalsContact C-N 3.28Å; D38-Q40 PolarHBondContact O-N 3.21Å; Q40-M42 VanDerWaalsContact C-N 3.34Å; Q40-M42 PolarHBondContact O-N 3.43Å; Q40-R43 WeakPolarHBondContact O-CB 3.35Å; Q40-R43 PolarHBondContact O-N 2.89Å; Q40-R43 VanDerWaalsContact O-N 3.08Å; Q40-F44 WeakPolarHBondContact O-CD2 3.38Å; Q40-F44 PolarHBondContact O-N 2.85Å; Q40-F44 VanDerWaalsContact O-N 3.13Å; Q40-L71 HydrophobicContact CB-CD1 3.97Å; Q40-L71 HydrophobicContact CB-CD2 3.87Å; Q40-Y537 PolarHBondContact OE1-OH 3.03Å |
| 41 | A | 96 | Very high | 95.2 | Very high | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.008 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q37 D38 R43 F44 Q45 L71 R74 V75 | Q37-A41 WeakPolarHBondContact O-CB 3.39Å; Q37-A41 PolarHBondContact O-N 3.22Å; D38-A41 PolarHBondContact O-N 3.43Å; A41-R43 VanDerWaalsContact C-N 3.28Å; A41-R43 PolarHBondContact O-N 2.85Å; A41-F44 PolarHBondContact O-N 3.37Å; A41-Q45 PolarHBondContact O-N 2.94Å; A41-L71 HydrophobicContact CB-CD1 4.05Å; A41-R74 HydrophobicContact CB-CG 4.4Å; A41-V75 HydrophobicContact CB-CG2 3.96Å |
| 42 | M | 95.7 | Very high | 95.1 | Very high | 86 Ų | 86 | 70.4 Ų | 70.4 | 42% | 0.424 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.7 | -39.9 | 175.7 | -173.1 | -165.3 | -62.1 | 0 | 0 | 112.3 | D38 Q40 K46 | D38-M42 WeakPolarHBondContact O-CB 3.41Å; D38-M42 PolarHBondContact O-N 3.33Å; Q40-M42 VanDerWaalsContact C-N 3.34Å; Q40-M42 PolarHBondContact O-N 3.43Å; M42-K46 HydrophobicContact CG-CD 4.27Å; M42-K46 WeakPolarHBondContact O-CB 3.37Å; M42-K46 VanDerWaalsContact O-CG 3.27Å; M42-K46 WeakPolarHBondContact O-CG 3.49Å; M42-K46 PolarHBondContact O-N 3.43Å; M42-K46 PolarHBondContact SD-NZ 2.99Å |
| 43 | R | 94.4 | Very high | 95 | Very high | 89 Ų | 89 | 66.4 Ų | 66.4 | 34% | 0.336 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 175.6 | 173.4 | 176.5 | 55.2 | -141.9 | -15.1 | 111.4 | E35 L39 Q40 A41 N47 | E35-R43 IonicContact OE1-NH1 3.69Å; E35-R43 IonicContact OE2-CZ 3.34Å; E35-R43 IonicContact OE2-NH1 3.08Å; E35-R43 PolarHBondContact OE2-NH1 3.01Å; E35-R43 VanDerWaalsContact OE2-NH1 3.08Å; E35-R43 IonicContact OE2-NH2 2.81Å; E35-R43 PolarHBondContact OE2-NH2 3.49Å; L39-R43 PolarHBondContact O-N 3Å; Q40-R43 WeakPolarHBondContact O-CB 3.35Å; Q40-R43 PolarHBondContact O-N 2.89Å; Q40-R43 VanDerWaalsContact O-N 3.08Å; A41-R43 VanDerWaalsContact C-N 3.28Å; A41-R43 PolarHBondContact O-N 2.85Å; R43-N47 PolarHBondContact O-N 2.87Å; R43-N47 PolarHBondContact O-ND2 3.47Å; R43-N47 VanDerWaalsContact O-ND2 3.16Å |
| 44 | F | 92.8 | Very high | 94.9 | Very high | 15 Ų | 15 | 63.7 Ų | 63.7 | 7% | 0.066 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 178.2 | -75.4 | -72.1 | 0 | 0 | 0 | 111.8 | Q40 A41 K46 N47 L48 Y60 I64 L71 V75 | Q40-F44 WeakPolarHBondContact O-CD2 3.38Å; Q40-F44 PolarHBondContact O-N 2.85Å; Q40-F44 VanDerWaalsContact O-N 3.13Å; A41-F44 PolarHBondContact O-N 3.37Å; F44-K46 PolarHBondContact O-N 2.89Å; F44-N47 PolarHBondContact O-N 2.92Å; F44-N47 VanDerWaalsContact O-N 3.11Å; F44-L48 PolarHBondContact O-N 2.74Å; F44-Y60 HydrophobicContact CB-CE1 4.46Å; F44-Y60 AromaticContact CD1-CE1 3.74Å; F44-Y60 HydrophobicContact CD1-CE1 3.74Å; F44-Y60 AromaticContact CD1-CZ 3.55Å; F44-Y60 WeakPolarHBondContact CD1-OH 3.43Å; F44-Y60 WeakPolarHBondContact CE1-OH 3.47Å; F44-I64 HydrophobicContact CB-CD1 3.96Å; F44-I64 HydrophobicContact CD1-CD1 3.27Å; F44-I64 HydrophobicContact CD1-CG1 3.47Å; F44-I64 VanDerWaalsContact CD1-CG1 3.47Å; F44-I64 HydrophobicContact CE1-CD1 4.01Å; F44-I64 HydrophobicContact CE1-CG1 3.65Å; F44-I64 HydrophobicContact CG-CD1 3.73Å; F44-I64 HydrophobicContact CG-CG1 4.25Å; F44-L71 HydrophobicContact CD2-CD2 3.46Å; F44-L71 VanDerWaalsContact CD2-CD2 3.46Å; F44-L71 HydrophobicContact CD2-CG 4.14Å; F44-L71 HydrophobicContact CE2-CD2 3.23Å; F44-L71 HydrophobicContact CE2-CG 4.34Å; F44-L71 HydrophobicContact CZ-CD2 4.23Å; F44-V75 HydrophobicContact CB-CG2 4.2Å |
| 45 | Q | 93.1 | Very high | 94.8 | Very high | 30 Ų | 30 | 61.4 Ų | 61.4 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 174.2 | -77.3 | 166.3 | -25.3 | 0 | 0 | 112.4 | A41 N47 L48 K49 V75 E78 D79 | A41-Q45 PolarHBondContact O-N 2.94Å; Q45-N47 PolarHBondContact O-N 3.03Å; Q45-L48 PolarHBondContact O-N 3.03Å; Q45-K49 WeakPolarHBondContact O-CG 3.33Å; Q45-K49 PolarHBondContact O-N 2.92Å; Q45-V75 HydrophobicContact CG-CG1 4.32Å; Q45-E78 PolarHBondContact NE2-OE2 3.1Å; Q45-D79 PolarHBondContact NE2-OD2 2.97Å |
| 46 | K | 94.4 | Very high | 94.8 | Very high | 125 Ų | 125 | 65.5 Ų | 65.5 | 54% | 0.543 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.1 | -31.2 | 176.5 | -80.4 | 176.7 | 178.4 | 174.1 | 0 | 113.1 | M42 F44 K50 | M42-K46 HydrophobicContact CG-CD 4.27Å; M42-K46 WeakPolarHBondContact O-CB 3.37Å; M42-K46 VanDerWaalsContact O-CG 3.27Å; M42-K46 WeakPolarHBondContact O-CG 3.49Å; M42-K46 PolarHBondContact O-N 3.43Å; M42-K46 PolarHBondContact SD-NZ 2.99Å; F44-K46 PolarHBondContact O-N 2.89Å; K46-K50 WeakPolarHBondContact O-CG 3.38Å |
| 47 | N | 94.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -79.4 | -41 | 175.2 | -70.2 | -34.8 | 0 | 0 | 0 | 111.6 | R43 F44 Q45 K49 K50 M51 Y60 | R43-N47 PolarHBondContact O-N 2.87Å; R43-N47 PolarHBondContact O-ND2 3.47Å; R43-N47 VanDerWaalsContact O-ND2 3.16Å; F44-N47 PolarHBondContact O-N 2.92Å; F44-N47 VanDerWaalsContact O-N 3.11Å; Q45-N47 PolarHBondContact O-N 3.03Å; N47-K49 VanDerWaalsContact C-N 3.29Å; N47-K49 PolarHBondContact O-N 3.35Å; N47-K50 WeakPolarHBondContact O-CB 3.21Å; N47-K50 PolarHBondContact O-N 2.72Å; N47-K50 VanDerWaalsContact O-N 3.07Å; N47-M51 PolarHBondContact O-N 3.13Å; N47-Y60 HydrophobicContact CB-CE1 3.97Å; N47-Y60 HydrophobicContact CB-CE2 4.43Å; N47-Y60 VanDerWaalsContact CB-OH 3.29Å; N47-Y60 WeakPolarHBondContact CB-OH 3.45Å; N47-Y60 PolarHBondContact ND2-OH 3.36Å |
| 48 | L | 93.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56 | -43.3 | 173.7 | -77.9 | 165.9 | 0 | 0 | 0 | 111.9 | F44 Q45 K50 M51 K57 Y60 L61 V75 L83 | F44-L48 PolarHBondContact O-N 2.74Å; Q45-L48 PolarHBondContact O-N 3.03Å; L48-K50 PolarHBondContact O-N 2.83Å; L48-M51 WeakPolarHBondContact O-CB 3.43Å; L48-M51 PolarHBondContact O-N 3.34Å; L48-K57 HydrophobicContact CD2-CB 4.25Å; L48-K57 HydrophobicContact CD2-CG 4.26Å; L48-K57 WeakPolarHBondContact O-CE 3.43Å; L48-Y60 HydrophobicContact CD2-CD1 3.64Å; L48-Y60 HydrophobicContact CD2-CE1 4.34Å; L48-Y60 HydrophobicContact CG-CD1 3.78Å; L48-Y60 HydrophobicContact CG-CE1 3.96Å; L48-L61 HydrophobicContact CD1-CD2 3.8Å; L48-L61 HydrophobicContact CD2-CD2 4.07Å; L48-L61 HydrophobicContact CD2-CG 4.02Å; L48-V75 HydrophobicContact CD1-CG1 4Å; L48-L83 HydrophobicContact CD1-CD1 4.45Å; L48-L83 HydrophobicContact CD1-CD2 4.22Å |
| 49 | K | 91.9 | Very high | 94.7 | Very high | 148 Ų | 148 | 61.8 Ų | 61.8 | 64% | 0.643 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -19.7 | 178.3 | -72.3 | 178.6 | -178.5 | -177.9 | 0 | 114.2 | Q45 N47 | Q45-K49 WeakPolarHBondContact O-CG 3.33Å; Q45-K49 PolarHBondContact O-N 2.92Å; N47-K49 VanDerWaalsContact C-N 3.29Å; N47-K49 PolarHBondContact O-N 3.35Å |
| 50 | K | 94.9 | Very high | 94.6 | Very high | 156 Ų | 156 | 61.1 Ų | 61.1 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -17.6 | 174.7 | -66 | 170.8 | -173.8 | 175.3 | 0 | 112.6 | K46 N47 L48 | K46-K50 WeakPolarHBondContact O-CG 3.38Å; N47-K50 WeakPolarHBondContact O-CB 3.21Å; N47-K50 PolarHBondContact O-N 2.72Å; N47-K50 VanDerWaalsContact O-N 3.07Å; L48-K50 PolarHBondContact O-N 2.83Å |
| 51 | M | 95.3 | Very high | 94.6 | Very high | 42 Ų | 42 | 61 Ų | 61 | 21% | 0.207 | 29% | 0.293 | C | S | . | . | trans | -89.4 | 129.7 | -178.8 | -62.2 | 172.7 | -175.4 | 0 | 0 | 109.4 | N47 L48 K57 Y60 | N47-M51 PolarHBondContact O-N 3.13Å; L48-M51 WeakPolarHBondContact O-CB 3.43Å; L48-M51 PolarHBondContact O-N 3.34Å; M51-K57 HydrophobicContact CB-CG 3.72Å; M51-K57 WeakPolarHBondContact O-CE 3.28Å; M51-K57 HydrophobicContact SD-CG 4.47Å; M51-Y60 HydrophobicContact CE-CD1 4.15Å; M51-Y60 HydrophobicContact CE-CD2 3.62Å; M51-Y60 HydrophobicContact CE-CE2 4.14Å; M51-Y60 HydrophobicContact CE-CG 3.61Å; M51-Y60 HydrophobicContact SD-CD1 4.34Å; M51-Y60 HydrophobicContact SD-CG 4.01Å | ||
| 52 | T | 93.5 | Very high | 94.4 | Very high | 135 Ų | 135 | 61.5 Ų | 61.5 | 83% | 0.828 | 30% | 0.296 | S | S | * | . | trans | -103.1 | -29.5 | 177.7 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | P54 | T52-P54 WeakPolarHBondContact O-CD 3.42Š| ||
| 53 | D | 95.1 | Very high | 94.3 | Very high | 57 Ų | 57 | 58.7 Ų | 58.7 | 31% | 0.305 | 29% | 0.288 | S | S | . | . | trans | -77.8 | 122.8 | 178.2 | 172.5 | 39.1 | 0 | 0 | 0 | 111.3 | L55 Q56 K57 | D53-L55 VanDerWaalsContact C-N 3.27Å; D53-L55 PolarHBondContact O-N 2.62Å; D53-L55 PolarHBondContact OD1-N 3.18Å; D53-Q56 HydrophobicContact CB-CB 4.1Å; D53-Q56 HydrophobicContact CB-CG 4.12Å; D53-Q56 PolarHBondContact O-N 3.34Å; D53-Q56 WeakPolarHBondContact OD2-CG 3.37Å; D53-Q56 PolarHBondContact OD2-N 2.83Å; D53-K57 PolarHBondContact O-N 3.21Å | ||
| 54 | P | 93.6 | Very high | 94.3 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.1 | -36.9 | 177 | -26.1 | 35.4 | 0 | 0 | 0 | 113.5 | T52 K57 Y58 I86 T91 | T52-P54 WeakPolarHBondContact O-CD 3.42Å; P54-K57 PolarHBondContact O-N 3.02Å; P54-Y58 PolarHBondContact O-N 3.32Å; P54-I86 HydrophobicContact CB-CD1 4.17Å; P54-T91 HydrophobicContact CB-CG2 3.73Å; P54-T91 WeakPolarHBondContact O-CG2 3.34Å |
| 55 | L | 94.6 | Very high | 94.3 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.5 | -41.5 | -179.9 | -177.2 | 62 | 0 | 0 | 0 | 111.4 | D53 K57 Y58 I59 L94 A95 Q98 I102 | D53-L55 VanDerWaalsContact C-N 3.27Å; D53-L55 PolarHBondContact O-N 2.62Å; D53-L55 PolarHBondContact OD1-N 3.18Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 3.43Å; L55-Y58 HydrophobicContact CD1-CD1 4.46Å; L55-Y58 WeakPolarHBondContact O-CB 3.22Å; L55-Y58 PolarHBondContact O-N 2.91Å; L55-I59 HydrophobicContact CG-CD1 4.18Å; L55-I59 VanDerWaalsContact O-CG1 3.32Å; L55-I59 WeakPolarHBondContact O-CG1 3.22Å; L55-I59 PolarHBondContact O-N 3.29Å; L55-L94 HydrophobicContact CB-CD2 3.95Å; L55-L94 HydrophobicContact CB-CG 4.45Å; L55-L94 HydrophobicContact CD1-CG 4.48Å; L55-A95 HydrophobicContact CD1-CB 4.16Å; L55-Q98 HydrophobicContact CD2-CB 4.28Å; L55-Q98 HydrophobicContact CD2-CG 4Å; L55-I102 HydrophobicContact CD1-CD1 4.14Å |
| 56 | Q | 95.6 | Very high | 94.1 | Very high | 108 Ų | 108 | 55.4 Ų | 55.4 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 170.3 | -77.2 | 176.6 | 19.3 | 0 | 0 | 112.5 | D53 Y58 I59 Y60 | D53-Q56 HydrophobicContact CB-CB 4.1Å; D53-Q56 HydrophobicContact CB-CG 4.12Å; D53-Q56 PolarHBondContact O-N 3.34Å; D53-Q56 WeakPolarHBondContact OD2-CG 3.37Å; D53-Q56 PolarHBondContact OD2-N 2.83Å; Q56-Y58 VanDerWaalsContact C-N 3.33Å; Q56-Y58 PolarHBondContact O-N 3.35Å; Q56-I59 PolarHBondContact O-N 2.98Å; Q56-Y60 WeakPolarHBondContact O-CB 3.5Å; Q56-Y60 PolarHBondContact O-N 3.45Å |
| 57 | K | 96.3 | Very high | 93.9 | Very high | 29 Ų | 29 | 55 Ų | 55 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 174.8 | -72 | -171.8 | 177.1 | -170.9 | 0 | 111.2 | L48 M51 D53 P54 L55 Y60 L61 E82 I86 | L48-K57 HydrophobicContact CD2-CB 4.25Å; L48-K57 HydrophobicContact CD2-CG 4.26Å; L48-K57 WeakPolarHBondContact O-CE 3.43Å; M51-K57 HydrophobicContact CB-CG 3.72Å; M51-K57 WeakPolarHBondContact O-CE 3.28Å; M51-K57 HydrophobicContact SD-CG 4.47Å; D53-K57 PolarHBondContact O-N 3.21Å; P54-K57 PolarHBondContact O-N 3.02Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 3.43Å; K57-Y60 PolarHBondContact O-N 3.13Å; K57-L61 WeakPolarHBondContact O-CG 3.22Å; K57-L61 PolarHBondContact O-N 3.02Å; K57-E82 IonicContact NZ-OE1 3.08Å; K57-E82 PolarHBondContact NZ-OE1 3.12Å; K57-E82 VanDerWaalsContact NZ-OE1 3.08Å; K57-I86 HydrophobicContact CB-CD1 4.38Å; K57-I86 HydrophobicContact CB-CG1 4.49Å; K57-I86 HydrophobicContact CB-CG2 3.73Å; K57-I86 HydrophobicContact CD-CD1 4.07Å; K57-I86 HydrophobicContact CD-CG1 4.33Å |
| 58 | Y | 95.7 | Very high | 93.9 | Very high | 12 Ų | 12 | 52.8 Ų | 52.8 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -51.8 | 176.7 | 173.9 | -92.8 | 0 | 0 | 0 | 111.9 | P54 L55 Q56 Y60 L61 M62 I86 V92 A95 I102 | P54-Y58 PolarHBondContact O-N 3.32Å; L55-Y58 HydrophobicContact CD1-CD1 4.46Å; L55-Y58 WeakPolarHBondContact O-CB 3.22Å; L55-Y58 PolarHBondContact O-N 2.91Å; Q56-Y58 VanDerWaalsContact C-N 3.33Å; Q56-Y58 PolarHBondContact O-N 3.35Å; Y58-Y60 PolarHBondContact O-N 3.05Å; Y58-L61 PolarHBondContact O-N 3.17Å; Y58-M62 HydrophobicContact CD1-CG 4.2Å; Y58-M62 HydrophobicContact CD2-CG 4.25Å; Y58-M62 HydrophobicContact CE1-CG 3.76Å; Y58-M62 HydrophobicContact CE2-CE 4.43Å; Y58-M62 HydrophobicContact CE2-CG 3.85Å; Y58-M62 HydrophobicContact CE2-SD 4.29Å; Y58-M62 HydrophobicContact CG-CG 4.43Å; Y58-M62 WeakPolarHBondContact O-CG 3.47Å; Y58-M62 PolarHBondContact O-N 3.49Å; Y58-I86 VanDerWaalsContact CD2-O 3.3Å; Y58-I86 WeakPolarHBondContact CD2-O 3.27Å; Y58-V92 HydrophobicContact CE2-CG2 4.47Å; Y58-A95 HydrophobicContact CD1-CB 3.62Å; Y58-A95 HydrophobicContact CD2-CB 4.32Å; Y58-A95 HydrophobicContact CE1-CB 3.38Å; Y58-A95 HydrophobicContact CE2-CB 4.11Å; Y58-A95 HydrophobicContact CG-CB 4.09Å; Y58-I102 HydrophobicContact CD1-CD1 4.18Å; Y58-I102 HydrophobicContact CE1-CD1 3.9Å |
| 59 | I | 94.8 | Very high | 93.9 | Very high | 64 Ų | 64 | 53.4 Ų | 53.4 | 33% | 0.328 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 178.4 | -66 | 164.9 | 0 | 0 | 0 | 110.3 | L55 Q56 G63 I102 | L55-I59 HydrophobicContact CG-CD1 4.18Å; L55-I59 VanDerWaalsContact O-CG1 3.32Å; L55-I59 WeakPolarHBondContact O-CG1 3.22Å; L55-I59 PolarHBondContact O-N 3.29Å; Q56-I59 PolarHBondContact O-N 2.98Å; I59-G63 PolarHBondContact O-N 2.84Å; I59-I102 HydrophobicContact CD1-CB 4.24Å; I59-I102 HydrophobicContact CD1-CG2 3.77Å; I59-I102 HydrophobicContact CG1-CB 4.29Å; I59-I102 HydrophobicContact CG1-CG2 4.28Å |
| 60 | Y | 95.3 | Very high | 94 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 19% | 0.192 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -48.5 | 178.1 | -172.2 | -110.4 | 0 | 0 | 0 | 112.2 | F44 N47 L48 M51 Q56 K57 Y58 G63 I64 | F44-Y60 HydrophobicContact CB-CE1 4.46Å; F44-Y60 AromaticContact CD1-CE1 3.74Å; F44-Y60 HydrophobicContact CD1-CE1 3.74Å; F44-Y60 AromaticContact CD1-CZ 3.55Å; F44-Y60 WeakPolarHBondContact CD1-OH 3.43Å; F44-Y60 WeakPolarHBondContact CE1-OH 3.47Å; N47-Y60 HydrophobicContact CB-CE1 3.97Å; N47-Y60 HydrophobicContact CB-CE2 4.43Å; N47-Y60 VanDerWaalsContact CB-OH 3.29Å; N47-Y60 WeakPolarHBondContact CB-OH 3.45Å; N47-Y60 PolarHBondContact ND2-OH 3.36Å; L48-Y60 HydrophobicContact CD2-CD1 3.64Å; L48-Y60 HydrophobicContact CD2-CE1 4.34Å; L48-Y60 HydrophobicContact CG-CD1 3.78Å; L48-Y60 HydrophobicContact CG-CE1 3.96Å; M51-Y60 HydrophobicContact CE-CD1 4.15Å; M51-Y60 HydrophobicContact CE-CD2 3.62Å; M51-Y60 HydrophobicContact CE-CE2 4.14Å; M51-Y60 HydrophobicContact CE-CG 3.61Å; M51-Y60 HydrophobicContact SD-CD1 4.34Å; M51-Y60 HydrophobicContact SD-CG 4.01Å; Q56-Y60 WeakPolarHBondContact O-CB 3.5Å; Q56-Y60 PolarHBondContact O-N 3.45Å; K57-Y60 PolarHBondContact O-N 3.13Å; Y58-Y60 PolarHBondContact O-N 3.05Å; Y60-G63 PolarHBondContact O-N 3.2Å; Y60-I64 HydrophobicContact CD1-CD1 4.12Å; Y60-I64 HydrophobicContact CE1-CD1 3.94Å; Y60-I64 WeakPolarHBondContact O-CG1 3.48Å; Y60-I64 PolarHBondContact O-N 2.83Å |
| 61 | L | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 177.8 | -74.6 | 175.3 | 0 | 0 | 0 | 112 | L48 K57 Y58 G63 I64 Q65 F72 L83 I86 V87 | L48-L61 HydrophobicContact CD1-CD2 3.8Å; L48-L61 HydrophobicContact CD2-CD2 4.07Å; L48-L61 HydrophobicContact CD2-CG 4.02Å; K57-L61 WeakPolarHBondContact O-CG 3.22Å; K57-L61 PolarHBondContact O-N 3.02Å; Y58-L61 PolarHBondContact O-N 3.17Å; L61-G63 VanDerWaalsContact C-N 3.26Å; L61-G63 PolarHBondContact O-N 2.91Å; L61-I64 HydrophobicContact CD2-CD1 4.27Å; L61-I64 WeakPolarHBondContact O-CA 3.22Å; L61-I64 WeakPolarHBondContact O-CB 3.49Å; L61-I64 PolarHBondContact O-N 3.47Å; L61-Q65 PolarHBondContact O-N 3.26Å; L61-F72 HydrophobicContact CB-CE2 4.22Å; L61-F72 WeakPolarHBondContact O-CD2 3.5Å; L61-L83 HydrophobicContact CD1-CD2 4.26Å; L61-I86 HydrophobicContact CD1-CB 3.98Å; L61-I86 HydrophobicContact CD1-CG2 3.57Å; L61-V87 HydrophobicContact CB-CG1 4.4Å; L61-V87 HydrophobicContact CD1-CG1 3.62Å |
| 62 | M | 93.4 | Very high | 94.2 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 6% | 0.064 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -36.4 | 177.9 | -70 | -57.7 | 105.9 | 0 | 0 | 112 | Y58 I64 Q65 E66 F72 V87 K107 V157 | Y58-M62 HydrophobicContact CD1-CG 4.2Å; Y58-M62 HydrophobicContact CD2-CG 4.25Å; Y58-M62 HydrophobicContact CE1-CG 3.76Å; Y58-M62 HydrophobicContact CE2-CE 4.43Å; Y58-M62 HydrophobicContact CE2-CG 3.85Å; Y58-M62 HydrophobicContact CE2-SD 4.29Å; Y58-M62 HydrophobicContact CG-CG 4.43Å; Y58-M62 WeakPolarHBondContact O-CG 3.47Å; Y58-M62 PolarHBondContact O-N 3.49Å; M62-I64 VanDerWaalsContact C-N 3.32Å; M62-I64 PolarHBondContact O-N 2.98Å; M62-Q65 WeakPolarHBondContact O-CB 3.09Å; M62-Q65 PolarHBondContact O-N 3.12Å; M62-Q65 PolarHBondContact SD-OE1 3.28Å; M62-E66 WeakPolarHBondContact O-CG 3.49Å; M62-E66 PolarHBondContact O-N 2.83Å; M62-F72 HydrophobicContact CE-CE2 3.8Å; M62-F72 HydrophobicContact CE-CZ 3.87Å; M62-V87 HydrophobicContact CE-CB 4.33Å; M62-V87 HydrophobicContact CE-CG1 4Å; M62-K107 PolarHBondContact O-NZ 3.24Å; M62-V157 HydrophobicContact SD-CG1 4.4Å |
| 63 | G | 92.9 | Very high | 94.4 | Very high | 26 Ų | 26 | 32 Ų | 32 | 27% | 0.268 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -68.8 | -24.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I59 Y60 L61 | I59-G63 PolarHBondContact O-N 2.84Å; Y60-G63 PolarHBondContact O-N 3.2Å; L61-G63 VanDerWaalsContact C-N 3.26Å; L61-G63 PolarHBondContact O-N 2.91Å |
| 64 | I | 93.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.5 | -49.4 | 168.2 | -58.3 | 167.5 | 0 | 0 | 0 | 109 | F44 Y60 L61 M62 E66 R67 N68 L71 F72 | F44-I64 HydrophobicContact CB-CD1 3.96Å; F44-I64 HydrophobicContact CD1-CD1 3.27Å; F44-I64 HydrophobicContact CD1-CG1 3.47Å; F44-I64 VanDerWaalsContact CD1-CG1 3.47Å; F44-I64 HydrophobicContact CE1-CD1 4.01Å; F44-I64 HydrophobicContact CE1-CG1 3.65Å; F44-I64 HydrophobicContact CG-CD1 3.73Å; F44-I64 HydrophobicContact CG-CG1 4.25Å; Y60-I64 HydrophobicContact CD1-CD1 4.12Å; Y60-I64 HydrophobicContact CE1-CD1 3.94Å; Y60-I64 WeakPolarHBondContact O-CG1 3.48Å; Y60-I64 PolarHBondContact O-N 2.83Å; L61-I64 HydrophobicContact CD2-CD1 4.27Å; L61-I64 WeakPolarHBondContact O-CA 3.22Å; L61-I64 WeakPolarHBondContact O-CB 3.49Å; L61-I64 PolarHBondContact O-N 3.47Å; M62-I64 VanDerWaalsContact C-N 3.32Å; M62-I64 PolarHBondContact O-N 2.98Å; I64-E66 VanDerWaalsContact C-N 3.27Å; I64-E66 PolarHBondContact O-N 3.48Å; I64-R67 CarbonylContact O-C 3.59Å; I64-R67 PolarHBondContact O-N 3.41Å; I64-N68 CarbonylContact O-C 3.58Å; I64-N68 PolarHBondContact O-N 3.45Å; I64-L71 HydrophobicContact CG2-CG 4.41Å; I64-F72 HydrophobicContact CB-CB 4.4Å; I64-F72 HydrophobicContact CG2-CB 3.92Å |
| 65 | Q | 93 | Very high | 94.6 | Very high | 16 Ų | 16 | 28.7 Ų | 28.7 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.5 | -41.9 | -178.8 | -168.4 | -174.9 | 30.2 | 0 | 0 | 112 | S8 L61 M62 R67 F72 C161 | S8-Q65 WeakPolarHBondContact CB-O 3.36Å; L61-Q65 PolarHBondContact O-N 3.26Å; M62-Q65 WeakPolarHBondContact O-CB 3.09Å; M62-Q65 PolarHBondContact O-N 3.12Å; M62-Q65 PolarHBondContact SD-OE1 3.28Å; Q65-R67 PolarHBondContact O-N 2.79Å; Q65-F72 HydrophobicContact CB-CB 3.96Å; Q65-F72 HydrophobicContact CB-CD1 3.89Å; Q65-F72 HydrophobicContact CB-CD2 3.72Å; Q65-F72 HydrophobicContact CB-CE1 4.3Å; Q65-F72 HydrophobicContact CB-CE2 4.15Å; Q65-F72 HydrophobicContact CB-CG 3.57Å; Q65-F72 HydrophobicContact CB-CZ 4.41Å; Q65-F72 HydrophobicContact CG-CB 4.36Å; Q65-F72 HydrophobicContact CG-CD1 3.64Å; Q65-F72 HydrophobicContact CG-CD2 4.38Å; Q65-F72 HydrophobicContact CG-CE1 3.94Å; Q65-F72 HydrophobicContact CG-CG 3.87Å; Q65-F72 HydrophobicContact CG-CZ 4.43Å; Q65-C161 PolarHBondContact NE2-SG 3.46Å |
| 66 | E | 89.1 | Confident | 94.7 | Very high | 49 Ų | 49 | 27.6 Ų | 27.6 | 23% | 0.229 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.1 | 176.7 | -72.2 | 174 | -168.5 | 0 | 0 | 114.3 | S8 M62 I64 R105 | S8-E66 WeakPolarHBondContact CB-O 3.23Å; M62-E66 WeakPolarHBondContact O-CG 3.49Å; M62-E66 PolarHBondContact O-N 2.83Å; I64-E66 VanDerWaalsContact C-N 3.27Å; I64-E66 PolarHBondContact O-N 3.48Å; E66-R105 HydrophobicContact CG-CB 4.3Å |
| 67 | R | 90.8 | Very high | 94.7 | Very high | 117 Ų | 117 | 24.9 Ų | 24.9 | 44% | 0.442 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -41.5 | -176 | -176.9 | 174.5 | 57.6 | -118.4 | -17.9 | 111.8 | N11 I64 Q65 | N11-R67 VanDerWaalsContact CB-O 3.29Å; N11-R67 WeakPolarHBondContact CB-O 3.32Å; N11-R67 PolarHBondContact ND2-O 3.28Å; I64-R67 CarbonylContact O-C 3.59Å; I64-R67 PolarHBondContact O-N 3.41Å; Q65-R67 PolarHBondContact O-N 2.79Å |
| 68 | N | 93.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | trans | -155.6 | 100.3 | -172.6 | -178.4 | -28.5 | 0 | 0 | 0 | 108.7 | N11 I64 L71 F72 Y537 | N11-N68 WeakPolarHBondContact O-CB 3.28Å; N11-N68 PolarHBondContact O-ND2 3.46Å; N11-N68 VanDerWaalsContact O-ND2 3.08Å; N11-N68 PolarHBondContact O-OD1 3.03Å; I64-N68 CarbonylContact O-C 3.58Å; I64-N68 PolarHBondContact O-N 3.45Å; N68-L71 HydrophobicContact CB-CB 4.06Å; N68-L71 WeakPolarHBondContact OD1-CB 3.47Å; N68-L71 PolarHBondContact OD1-N 3Å; N68-F72 PolarHBondContact O-N 2.78Å; N68-F72 VanDerWaalsContact O-N 3.07Å; N68-Y537 PolarHBondContact ND2-OH 2.81Å; N68-Y537 PolarHBondContact OD1-OH 2.81Å | ||
| 69 | E | 93.4 | Very high | 94.4 | Very high | 19 Ų | 19 | 29.7 Ų | 29.7 | 9% | 0.089 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.8 | -43.8 | -171.4 | -174.2 | 177.8 | 78.9 | 0 | 0 | 112.5 | S8 L71 F72 Y73 P171 | S8-E69 PolarHBondContact O-N 3.12Å; E69-L71 VanDerWaalsContact C-N 3.29Å; E69-L71 PolarHBondContact O-N 3.18Å; E69-F72 WeakPolarHBondContact O-CB 3.33Å; E69-F72 PolarHBondContact O-N 3.33Å; E69-F72 VanDerWaalsContact O-N 3.16Å; E69-Y73 HydrophobicContact CG-CD2 3.78Å; E69-Y73 HydrophobicContact CG-CE2 3.49Å; E69-Y73 VanDerWaalsContact CG-CE2 3.49Å; E69-Y73 VanDerWaalsContact O-CD2 3.25Å; E69-Y73 WeakPolarHBondContact O-CD2 3.45Å; E69-Y73 PolarHBondContact O-N 3.11Å; E69-P171 HydrophobicContact CG-CB 4.4Å; E69-P171 HydrophobicContact CG-CG 4.38Å; E69-P171 VanDerWaalsContact OE1-CB 3.31Å; E69-P171 WeakPolarHBondContact OE1-CB 3.5Å; E69-P171 VanDerWaalsContact OE2-CB 3.31Å; E69-P171 WeakPolarHBondContact OE2-CB 3.33Å |
| 70 | R | 95.6 | Very high | 94.3 | Very high | 24 Ų | 24 | 27.3 Ų | 27.3 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 176.6 | -68.4 | -74.6 | -176.5 | 168.2 | 16.4 | 111.2 | Y73 R74 F533 N534 D536 Y537 D538 | R70-Y73 PolarHBondContact O-N 2.99Å; R70-R74 VanDerWaalsContact O-CB 3.31Å; R70-R74 WeakPolarHBondContact O-CB 3.49Å; R70-R74 PolarHBondContact O-N 3.11Å; R70-F533 VanDerWaalsContact CZ-CE2 3.48Å; R70-N534 PolarHBondContact NH1-O 3.34Å; R70-N534 PolarHBondContact NH1-OD1 2.83Å; R70-D536 WeakPolarHBondContact CD-O 2.95Å; R70-Y537 HydrophobicContact CB-CD1 3.87Å; R70-Y537 HydrophobicContact CB-CE1 3.68Å; R70-Y537 HydrophobicContact CG-CD1 4.2Å; R70-Y537 HydrophobicContact CG-CE1 4.41Å; R70-D538 IonicContact CZ-OD2 3.33Å; R70-D538 IonicContact NH2-OD2 2.99Å; R70-D538 PolarHBondContact NH2-OD2 3.08Å |
| 71 | L | 96.4 | Very high | 94 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.5 | -37.1 | 177.3 | -173.8 | 60.6 | 0 | 0 | 0 | 113.1 | Q37 Q40 A41 F44 I64 N68 E69 R74 V75 | Q37-L71 HydrophobicContact CG-CD1 4.07Å; Q40-L71 HydrophobicContact CB-CD1 3.97Å; Q40-L71 HydrophobicContact CB-CD2 3.87Å; A41-L71 HydrophobicContact CB-CD1 4.05Å; F44-L71 HydrophobicContact CD2-CD2 3.46Å; F44-L71 VanDerWaalsContact CD2-CD2 3.46Å; F44-L71 HydrophobicContact CD2-CG 4.14Å; F44-L71 HydrophobicContact CE2-CD2 3.23Å; F44-L71 HydrophobicContact CE2-CG 4.34Å; F44-L71 HydrophobicContact CZ-CD2 4.23Å; I64-L71 HydrophobicContact CG2-CG 4.41Å; N68-L71 HydrophobicContact CB-CB 4.06Å; N68-L71 WeakPolarHBondContact OD1-CB 3.47Å; N68-L71 PolarHBondContact OD1-N 3Å; E69-L71 VanDerWaalsContact C-N 3.29Å; E69-L71 PolarHBondContact O-N 3.18Å; L71-R74 PolarHBondContact O-N 3.14Å; L71-V75 HydrophobicContact CD1-CG2 4.37Å; L71-V75 WeakPolarHBondContact O-CG2 3.49Å; L71-V75 PolarHBondContact O-N 3.4Å |
| 72 | F | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.9 | -51.2 | 173.7 | 164.4 | -101.6 | 0 | 0 | 0 | 110.9 | L61 M62 I64 Q65 N68 E69 V75 L76 V87 C161 | L61-F72 HydrophobicContact CB-CE2 4.22Å; L61-F72 WeakPolarHBondContact O-CD2 3.5Å; M62-F72 HydrophobicContact CE-CE2 3.8Å; M62-F72 HydrophobicContact CE-CZ 3.87Å; I64-F72 HydrophobicContact CB-CB 4.4Å; I64-F72 HydrophobicContact CG2-CB 3.92Å; Q65-F72 HydrophobicContact CB-CB 3.96Å; Q65-F72 HydrophobicContact CB-CD1 3.89Å; Q65-F72 HydrophobicContact CB-CD2 3.72Å; Q65-F72 HydrophobicContact CB-CE1 4.3Å; Q65-F72 HydrophobicContact CB-CE2 4.15Å; Q65-F72 HydrophobicContact CB-CG 3.57Å; Q65-F72 HydrophobicContact CB-CZ 4.41Å; Q65-F72 HydrophobicContact CG-CB 4.36Å; Q65-F72 HydrophobicContact CG-CD1 3.64Å; Q65-F72 HydrophobicContact CG-CD2 4.38Å; Q65-F72 HydrophobicContact CG-CE1 3.94Å; Q65-F72 HydrophobicContact CG-CG 3.87Å; Q65-F72 HydrophobicContact CG-CZ 4.43Å; N68-F72 PolarHBondContact O-N 2.78Å; N68-F72 VanDerWaalsContact O-N 3.07Å; E69-F72 WeakPolarHBondContact O-CB 3.33Å; E69-F72 PolarHBondContact O-N 3.33Å; E69-F72 VanDerWaalsContact O-N 3.16Å; F72-V75 PolarHBondContact O-N 2.96Å; F72-L76 HydrophobicContact CE1-CD2 4.03Å; F72-L76 HydrophobicContact CZ-CD2 3.85Å; F72-L76 WeakPolarHBondContact O-CB 3.38Å; F72-L76 PolarHBondContact O-N 2.92Å; F72-V87 HydrophobicContact CE2-CG1 4.2Å; F72-V87 HydrophobicContact CZ-CG1 4.22Å; F72-C161 HydrophobicContact CE1-CB 4.35Å; F72-C161 HydrophobicContact CZ-CB 4.35Å |
| 73 | Y | 97.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 2% | 0.02 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.1 | -35.6 | 178.3 | -70.9 | -64.2 | 0 | 0 | 0 | 112.6 | E69 R70 V75 L76 M77 T164 A165 P171 F533 | E69-Y73 HydrophobicContact CG-CD2 3.78Å; E69-Y73 HydrophobicContact CG-CE2 3.49Å; E69-Y73 VanDerWaalsContact CG-CE2 3.49Å; E69-Y73 VanDerWaalsContact O-CD2 3.25Å; E69-Y73 WeakPolarHBondContact O-CD2 3.45Å; E69-Y73 PolarHBondContact O-N 3.11Å; R70-Y73 PolarHBondContact O-N 2.99Å; Y73-V75 VanDerWaalsContact C-N 3.31Å; Y73-V75 PolarHBondContact O-N 2.92Å; Y73-L76 HydrophobicContact CD1-CD2 4.37Å; Y73-L76 PolarHBondContact O-N 3.33Å; Y73-M77 VanDerWaalsContact O-CB 3.23Å; Y73-M77 WeakPolarHBondContact O-CB 3.49Å; Y73-M77 WeakPolarHBondContact O-CG 3.41Å; Y73-M77 PolarHBondContact O-N 3.22Å; Y73-T164 HydrophobicContact CD1-CG2 3.7Å; Y73-T164 HydrophobicContact CD2-CG2 3.99Å; Y73-T164 HydrophobicContact CE1-CG2 3.5Å; Y73-T164 HydrophobicContact CE2-CG2 3.79Å; Y73-T164 HydrophobicContact CG-CG2 3.95Å; Y73-T164 PolarHBondContact OH-OG1 2.83Å; Y73-A165 HydrophobicContact CD1-CB 4.4Å; Y73-P171 HydrophobicContact CD2-CG 4.05Å; Y73-P171 HydrophobicContact CE2-CB 4.02Å; Y73-P171 HydrophobicContact CE2-CG 3.3Å; Y73-F533 AromaticContact CD2-CE1 3.74Å; Y73-F533 HydrophobicContact CD2-CE1 3.74Å; Y73-F533 AromaticContact CD2-CZ 3.94Å; Y73-F533 HydrophobicContact CD2-CZ 3.94Å; Y73-F533 AromaticContact CG-CE1 3.95Å; Y73-F533 HydrophobicContact CG-CE1 3.95Å |
| 74 | R | 96.6 | Very high | 93.9 | Very high | 42 Ų | 42 | 32.6 Ų | 32.6 | 16% | 0.158 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.4 | -44.2 | 172.6 | 177 | 64.7 | -174.7 | 76.5 | 4.3 | 112.2 | Q37 D38 A41 R70 L71 E78 T535 | Q37-R74 HydrophobicContact CG-CG 4.22Å; D38-R74 IonicContact OD1-CZ 3.79Å; D38-R74 IonicContact OD1-NE 3.56Å; D38-R74 IonicContact OD1-NH2 3.78Å; D38-R74 PolarHBondContact OD1-NH2 2.99Å; A41-R74 HydrophobicContact CB-CG 4.4Å; R70-R74 VanDerWaalsContact O-CB 3.31Å; R70-R74 WeakPolarHBondContact O-CB 3.49Å; R70-R74 PolarHBondContact O-N 3.11Å; L71-R74 PolarHBondContact O-N 3.14Å; R74-E78 IonicContact CZ-OE1 3.63Å; R74-E78 IonicContact CZ-OE2 2.6Å; R74-E78 IonicContact NH1-OE1 3Å; R74-E78 PolarHBondContact NH1-OE1 2.94Å; R74-E78 IonicContact NH1-OE2 3.1Å; R74-E78 PolarHBondContact NH1-OE2 3.06Å; R74-E78 IonicContact NH2-OE1 3.84Å; R74-E78 PolarHBondContact NH2-OE1 3.4Å; R74-E78 VanDerWaalsContact NH2-OE1 3.15Å; R74-E78 IonicContact NH2-OE2 3.15Å; R74-E78 PolarHBondContact O-N 3.19Å; R74-T535 HydrophobicContact CB-CG2 4.37Å |
| 75 | V | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -73.1 | -45.7 | 178.7 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | A41 F44 Q45 L48 L71 F72 Y73 M77 E78 L83 | A41-V75 HydrophobicContact CB-CG2 3.96Å; F44-V75 HydrophobicContact CB-CG2 4.2Å; Q45-V75 HydrophobicContact CG-CG1 4.32Å; L48-V75 HydrophobicContact CD1-CG1 4Å; L71-V75 HydrophobicContact CD1-CG2 4.37Å; L71-V75 WeakPolarHBondContact O-CG2 3.49Å; L71-V75 PolarHBondContact O-N 3.4Å; F72-V75 PolarHBondContact O-N 2.96Å; Y73-V75 VanDerWaalsContact C-N 3.31Å; Y73-V75 PolarHBondContact O-N 2.92Å; V75-M77 PolarHBondContact O-N 2.93Å; V75-E78 PolarHBondContact O-N 3.4Å; V75-L83 HydrophobicContact CG1-CD1 3.8Å; V75-L83 WeakPolarHBondContact O-CD1 3.5Å |
| 76 | L | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | -180 | 178.3 | 58.3 | 0 | 0 | 0 | 112.2 | F72 Y73 D79 I80 L83 V87 A165 | F72-L76 HydrophobicContact CE1-CD2 4.03Å; F72-L76 HydrophobicContact CZ-CD2 3.85Å; F72-L76 WeakPolarHBondContact O-CB 3.38Å; F72-L76 PolarHBondContact O-N 2.92Å; Y73-L76 HydrophobicContact CD1-CD2 4.37Å; Y73-L76 PolarHBondContact O-N 3.33Å; L76-D79 CarbonylContact O-C 3.29Å; L76-I80 HydrophobicContact CD1-CD1 3.84Å; L76-I80 HydrophobicContact CG-CD1 3.91Å; L76-I80 WeakPolarHBondContact O-CA 3.44Å; L76-I80 PolarHBondContact O-N 3.16Å; L76-I80 VanDerWaalsContact O-N 3.17Å; L76-L83 HydrophobicContact CD1-CB 3.62Å; L76-V87 HydrophobicContact CD1-CG1 4.14Å; L76-V87 HydrophobicContact CD1-CG2 3.89Å; L76-V87 HydrophobicContact CD2-CG2 4.18Å; L76-A165 HydrophobicContact CD2-CB 3.79Å; L76-A165 HydrophobicContact CG-CB 4.16Å |
| 77 | M | 95.3 | Very high | 94.2 | Very high | 51 Ų | 51 | 31.7 Ų | 31.7 | 25% | 0.251 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -76.1 | -25.2 | -177.4 | -70.1 | 172.8 | 52.3 | 0 | 0 | 113.6 | Y73 V75 A165 R495 T535 | Y73-M77 VanDerWaalsContact O-CB 3.23Å; Y73-M77 WeakPolarHBondContact O-CB 3.49Å; Y73-M77 WeakPolarHBondContact O-CG 3.41Å; Y73-M77 PolarHBondContact O-N 3.22Å; V75-M77 PolarHBondContact O-N 2.93Å; M77-A165 HydrophobicContact CG-CB 4.15Å; M77-R495 VanDerWaalsContact CE-CZ 3.48Å; M77-R495 VanDerWaalsContact CE-NH1 3.32Å; M77-T535 HydrophobicContact CE-CG2 4.18Å; M77-T535 HydrophobicContact SD-CG2 3.51Å; M77-T535 VanDerWaalsContact SD-CG2 3.51Å |
| 78 | E | 93.3 | Very high | 94.1 | Very high | 90 Ų | 90 | 26.6 Ų | 26.6 | 42% | 0.421 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -71.9 | -37.1 | 177.9 | -170.3 | 166.9 | -142.5 | 0 | 0 | 112.2 | Q45 R74 V75 | Q45-E78 PolarHBondContact NE2-OE2 3.1Å; R74-E78 IonicContact CZ-OE1 3.63Å; R74-E78 IonicContact CZ-OE2 2.6Å; R74-E78 IonicContact NH1-OE1 3Å; R74-E78 PolarHBondContact NH1-OE1 2.94Å; R74-E78 IonicContact NH1-OE2 3.1Å; R74-E78 PolarHBondContact NH1-OE2 3.06Å; R74-E78 IonicContact NH2-OE1 3.84Å; R74-E78 PolarHBondContact NH2-OE1 3.4Å; R74-E78 VanDerWaalsContact NH2-OE1 3.15Å; R74-E78 IonicContact NH2-OE2 3.15Å; R74-E78 PolarHBondContact O-N 3.19Å; V75-E78 PolarHBondContact O-N 3.4Å |
| 79 | D | 92.3 | Very high | 93.7 | Very high | 53 Ų | 53 | 27.9 Ų | 27.9 | 28% | 0.283 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 45.9 | -177.8 | -64.8 | -46.7 | 0 | 0 | 0 | 111.1 | Q45 L76 E81 E82 L83 | Q45-D79 PolarHBondContact NE2-OD2 2.97Å; L76-D79 CarbonylContact O-C 3.29Å; D79-E81 VanDerWaalsContact C-N 3.27Å; D79-E81 PolarHBondContact O-N 2.86Å; D79-E82 PolarHBondContact O-N 3.2Å; D79-L83 HydrophobicContact CB-CD1 4.1Å; D79-L83 HydrophobicContact CB-CG 4.17Å; D79-L83 WeakPolarHBondContact O-CG 3.39Å; D79-L83 PolarHBondContact O-N 3.44Å |
| 80 | I | 93.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 29.8 Ų | 29.8 | 7% | 0.072 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.1 | -35.8 | -170.7 | -167.1 | 63.1 | 0 | 0 | 0 | 113.2 | L76 E82 M84 A165 I494 | L76-I80 HydrophobicContact CD1-CD1 3.84Å; L76-I80 HydrophobicContact CG-CD1 3.91Å; L76-I80 WeakPolarHBondContact O-CA 3.44Å; L76-I80 PolarHBondContact O-N 3.16Å; L76-I80 VanDerWaalsContact O-N 3.17Å; I80-E82 PolarHBondContact O-N 2.81Å; I80-M84 HydrophobicContact CD1-CB 4.14Å; I80-M84 HydrophobicContact CG1-CB 4.35Å; I80-M84 WeakPolarHBondContact O-CB 3.39Å; I80-M84 PolarHBondContact O-N 3.37Å; I80-A165 HydrophobicContact CD1-CB 4.19Å; I80-I494 HydrophobicContact CG1-CG2 3.98Å; I80-I494 HydrophobicContact CG2-CG2 4.25Å |
| 81 | E | 90 | Very high | 93.3 | Very high | 101 Ų | 101 | 29.2 Ų | 29.2 | 47% | 0.472 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.7 | -37.5 | 178 | -62.9 | -164.6 | 149.5 | 0 | 0 | 112.6 | D79 P85 L491 A492 | D79-E81 VanDerWaalsContact C-N 3.27Å; D79-E81 PolarHBondContact O-N 2.86Å; E81-P85 VanDerWaalsContact O-CD 3.28Å; E81-P85 WeakPolarHBondContact O-CD 3.48Å; E81-L491 HydrophobicContact CG-CB 3.81Å; E81-L491 PolarHBondContact OE1-N 2.9Å; E81-A492 HydrophobicContact CG-CB 4.04Å; E81-A492 WeakPolarHBondContact OE1-CB 3.48Å; E81-A492 PolarHBondContact OE1-N 3.22Å |
| 82 | E | 91 | Very high | 93 | Very high | 89 Ų | 89 | 29.1 Ų | 29.1 | 42% | 0.416 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -79.9 | -38.7 | 178.6 | -171 | -175 | 158.9 | 0 | 0 | 111.4 | K57 D79 I80 | K57-E82 IonicContact NZ-OE1 3.08Å; K57-E82 PolarHBondContact NZ-OE1 3.12Å; K57-E82 VanDerWaalsContact NZ-OE1 3.08Å; D79-E82 PolarHBondContact O-N 3.2Å; I80-E82 PolarHBondContact O-N 2.81Å |
| 83 | L | 94.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -94.4 | -23.9 | -168.2 | -61.2 | -177.8 | 0 | 0 | 0 | 113.9 | L48 L61 V75 L76 D79 I86 V87 | L48-L83 HydrophobicContact CD1-CD1 4.45Å; L48-L83 HydrophobicContact CD1-CD2 4.22Å; L61-L83 HydrophobicContact CD1-CD2 4.26Å; V75-L83 HydrophobicContact CG1-CD1 3.8Å; V75-L83 WeakPolarHBondContact O-CD1 3.5Å; L76-L83 HydrophobicContact CD1-CB 3.62Å; D79-L83 HydrophobicContact CB-CD1 4.1Å; D79-L83 HydrophobicContact CB-CG 4.17Å; D79-L83 WeakPolarHBondContact O-CG 3.39Å; D79-L83 PolarHBondContact O-N 3.44Å; L83-I86 WeakPolarHBondContact O-CA 3.47Å; L83-I86 WeakPolarHBondContact O-CB 3.48Å; L83-I86 PolarHBondContact O-N 2.93Å; L83-V87 PolarHBondContact O-N 2.97Å |
| 84 | M | 94 | Very high | 92.3 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.2 | -45.4 | 174.5 | 178.6 | -177.2 | 71.4 | 0 | 0 | 112.2 | I80 I86 V87 Y88 L162 V443 L491 | I80-M84 HydrophobicContact CD1-CB 4.14Å; I80-M84 HydrophobicContact CG1-CB 4.35Å; I80-M84 WeakPolarHBondContact O-CB 3.39Å; I80-M84 PolarHBondContact O-N 3.37Å; M84-I86 PolarHBondContact O-N 3Å; M84-I86 VanDerWaalsContact O-N 3.14Å; M84-V87 PolarHBondContact O-N 3.44Å; M84-Y88 PolarHBondContact O-N 3.35Å; M84-L162 HydrophobicContact CG-CD1 4.33Å; M84-L162 HydrophobicContact CG-CD2 3.82Å; M84-L162 HydrophobicContact SD-CD2 4.46Å; M84-V443 HydrophobicContact CE-CG1 4.41Å; M84-V443 HydrophobicContact SD-CB 4.32Å; M84-V443 HydrophobicContact SD-CG1 3.92Å; M84-V443 HydrophobicContact SD-CG2 3.93Å; M84-L491 HydrophobicContact CE-CD1 3.56Å; M84-L491 HydrophobicContact CE-CD2 3.65Å; M84-L491 HydrophobicContact CE-CG 4.18Å; M84-L491 HydrophobicContact SD-CD2 4.43Å |
| 85 | P | 91.8 | Very high | 92.1 | Very high | 32 Ų | 32 | 30.9 Ų | 30.9 | 21% | 0.208 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.9 | -14.7 | 175.3 | -21.8 | 34.2 | 0 | 0 | 0 | 115 | E81 T89 T91 | E81-P85 VanDerWaalsContact O-CD 3.28Å; E81-P85 WeakPolarHBondContact O-CD 3.48Å; P85-T89 VanDerWaalsContact CA-O 3.3Å; P85-T89 WeakPolarHBondContact CA-O 3.32Å; P85-T91 WeakPolarHBondContact O-CB 3.43Å; P85-T91 PolarHBondContact O-N 2.82Å; P85-T91 PolarHBondContact O-OG1 2.89Å |
| 86 | I | 94.5 | Very high | 92 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 7% | 0.072 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -86.1 | -49.4 | 174.3 | -54.2 | -58.6 | 0 | 0 | 0 | 110.5 | P54 K57 Y58 L61 L83 M84 Y88 T91 | P54-I86 HydrophobicContact CB-CD1 4.17Å; K57-I86 HydrophobicContact CB-CD1 4.38Å; K57-I86 HydrophobicContact CB-CG1 4.49Å; K57-I86 HydrophobicContact CB-CG2 3.73Å; K57-I86 HydrophobicContact CD-CD1 4.07Å; K57-I86 HydrophobicContact CD-CG1 4.33Å; Y58-I86 VanDerWaalsContact CD2-O 3.3Å; Y58-I86 WeakPolarHBondContact CD2-O 3.27Å; L61-I86 HydrophobicContact CD1-CB 3.98Å; L61-I86 HydrophobicContact CD1-CG2 3.57Å; L83-I86 WeakPolarHBondContact O-CA 3.47Å; L83-I86 WeakPolarHBondContact O-CB 3.48Å; L83-I86 PolarHBondContact O-N 2.93Å; M84-I86 PolarHBondContact O-N 3Å; M84-I86 VanDerWaalsContact O-N 3.14Å; I86-Y88 VanDerWaalsContact C-N 3.32Å; I86-T91 WeakPolarHBondContact O-CB 3.35Å |
| 87 | V | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -77.9 | -18.3 | -177.2 | -59 | 0 | 0 | 0 | 0 | 113.6 | L61 M62 F72 L76 L83 M84 L162 | L61-V87 HydrophobicContact CB-CG1 4.4Å; L61-V87 HydrophobicContact CD1-CG1 3.62Å; M62-V87 HydrophobicContact CE-CB 4.33Å; M62-V87 HydrophobicContact CE-CG1 4Å; F72-V87 HydrophobicContact CE2-CG1 4.2Å; F72-V87 HydrophobicContact CZ-CG1 4.22Å; L76-V87 HydrophobicContact CD1-CG1 4.14Å; L76-V87 HydrophobicContact CD1-CG2 3.89Å; L76-V87 HydrophobicContact CD2-CG2 4.18Å; L83-V87 PolarHBondContact O-N 2.97Å; M84-V87 PolarHBondContact O-N 3.44Å; V87-L162 HydrophobicContact CG2-CD2 4.14Å |
| 88 | Y | 90.3 | Very high | 91.6 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 4% | 0.039 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -135.3 | -144.2 | 177.6 | -164.4 | -120.5 | 0 | 0 | 0 | 110.4 | M84 I86 P90 T91 V92 I155 K159 L162 E231 | M84-Y88 PolarHBondContact O-N 3.35Å; I86-Y88 VanDerWaalsContact C-N 3.32Å; Y88-P90 CarbonylContact O-C 3.59Å; Y88-T91 PolarHBondContact O-N 3.39Å; Y88-V92 HydrophobicContact CD2-CG1 3.95Å; Y88-V92 HydrophobicContact CE2-CG1 4.38Å; Y88-V92 HydrophobicContact CG-CG1 4.44Å; Y88-V92 WeakPolarHBondContact O-CB 3.32Å; Y88-V92 WeakPolarHBondContact O-CG1 3.46Å; Y88-V92 PolarHBondContact O-N 2.91Å; Y88-I155 HydrophobicContact CE2-CG2 4.43Å; Y88-K159 HydrophobicContact CE1-CD 4.35Å; Y88-K159 HydrophobicContact CE2-CD 3.94Å; Y88-K159 HydrophobicContact CE2-CG 3.8Å; Y88-K159 WeakPolarHBondContact OH-CE 3.34Å; Y88-K159 PolarHBondContact OH-NZ 3.23Å; Y88-L162 HydrophobicContact CD1-CD1 3.53Å; Y88-L162 HydrophobicContact CD2-CD1 4.42Å; Y88-L162 HydrophobicContact CE1-CD1 4.33Å; Y88-L162 HydrophobicContact CG-CD1 3.6Å; Y88-E231 PolarHBondContact OH-OE1 3.39Å |
| 89 | T | 84.6 | Confident | 91.5 | Very high | 32 Ų | 32 | 30.8 Ų | 30.8 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 132.8 | -175.1 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | P85 V92 | P85-T89 VanDerWaalsContact CA-O 3.3Å; P85-T89 WeakPolarHBondContact CA-O 3.32Å; T89-V92 HydrophobicContact CG2-CG1 4.49Å |
| 90 | P | 87.6 | Confident | 91.3 | Very high | 59 Ų | 59 | 29 Ų | 29 | 38% | 0.383 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -94.7 | -14.1 | 7.4 | 35.1 | -34.6 | 0 | 0 | 0 | 114.9 | Y88 V92 G93 | Y88-P90 CarbonylContact O-C 3.59Å; P90-V92 VanDerWaalsContact C-N 3.32Å; P90-V92 PolarHBondContact O-N 3.12Å; P90-G93 PolarHBondContact O-N 2.95Å; P90-G93 VanDerWaalsContact O-N 3.16Å |
| 91 | T | 92.5 | Very high | 91 | Very high | 11 Ų | 11 | 33 Ų | 33 | 7% | 0.067 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.5 | -31.3 | -168.6 | -53.6 | 0 | 0 | 0 | 0 | 113 | P54 P85 I86 Y88 G93 L94 A95 | P54-T91 HydrophobicContact CB-CG2 3.73Å; P54-T91 WeakPolarHBondContact O-CG2 3.34Å; P85-T91 WeakPolarHBondContact O-CB 3.43Å; P85-T91 PolarHBondContact O-N 2.82Å; P85-T91 PolarHBondContact O-OG1 2.89Å; I86-T91 WeakPolarHBondContact O-CB 3.35Å; Y88-T91 PolarHBondContact O-N 3.39Å; T91-G93 PolarHBondContact O-N 3.42Å; T91-L94 WeakPolarHBondContact O-CA 3.47Å; T91-L94 WeakPolarHBondContact O-CB 3.38Å; T91-L94 PolarHBondContact O-N 2.93Å; T91-A95 PolarHBondContact O-N 3.22Å |
| 92 | V | 91.3 | Very high | 91 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60 | -32.3 | 176.7 | 71.9 | 0 | 0 | 0 | 0 | 112.4 | Y58 Y88 T89 P90 A95 C96 A154 I155 | Y58-V92 HydrophobicContact CE2-CG2 4.47Å; Y88-V92 HydrophobicContact CD2-CG1 3.95Å; Y88-V92 HydrophobicContact CE2-CG1 4.38Å; Y88-V92 HydrophobicContact CG-CG1 4.44Å; Y88-V92 WeakPolarHBondContact O-CB 3.32Å; Y88-V92 WeakPolarHBondContact O-CG1 3.46Å; Y88-V92 PolarHBondContact O-N 2.91Å; T89-V92 HydrophobicContact CG2-CG1 4.49Å; P90-V92 VanDerWaalsContact C-N 3.32Å; P90-V92 PolarHBondContact O-N 3.12Å; V92-A95 CarbonylContact O-C 3.56Å; V92-A95 WeakPolarHBondContact O-CB 3.3Å; V92-A95 PolarHBondContact O-N 2.95Å; V92-C96 PolarHBondContact O-N 3.36Å; V92-C96 PolarHBondContact O-SG 2.75Å; V92-A154 HydrophobicContact CG2-CB 3.85Å; V92-A154 WeakPolarHBondContact CG2-O 3.44Å; V92-I155 HydrophobicContact CB-CD1 4.39Å; V92-I155 HydrophobicContact CG1-CD1 3.59Å; V92-I155 HydrophobicContact CG2-CD1 3.96Å |
| 93 | G | 88.9 | Confident | 90.8 | Very high | 9 Ų | 9 | 28.5 Ų | 28.5 | 9% | 0.093 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P90 T91 A95 C96 T97 L145 | P90-G93 PolarHBondContact O-N 2.95Å; P90-G93 VanDerWaalsContact O-N 3.16Å; T91-G93 PolarHBondContact O-N 3.42Å; G93-A95 VanDerWaalsContact C-N 3.32Å; G93-A95 PolarHBondContact O-N 3.03Å; G93-C96 WeakPolarHBondContact O-CB 3.37Å; G93-C96 PolarHBondContact O-N 2.82Å; G93-T97 PolarHBondContact O-N 2.89Å; G93-T97 VanDerWaalsContact O-N 3.09Å; G93-L145 VanDerWaalsContact C-CD1 3.43Å; G93-L145 VanDerWaalsContact CA-CD1 3.4Å; G93-L145 VanDerWaalsContact O-CD1 3.27Å; G93-L145 WeakPolarHBondContact O-CD1 3.12Å |
| 94 | L | 90.5 | Very high | 90.1 | Very high | 75 Ų | 75 | 37.3 Ų | 37.3 | 39% | 0.393 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 172.4 | 178.2 | 60.4 | 0 | 0 | 0 | 110.8 | L55 T91 C96 T97 Q98 | L55-L94 HydrophobicContact CB-CD2 3.95Å; L55-L94 HydrophobicContact CB-CG 4.45Å; L55-L94 HydrophobicContact CD1-CG 4.48Å; T91-L94 WeakPolarHBondContact O-CA 3.47Å; T91-L94 WeakPolarHBondContact O-CB 3.38Å; T91-L94 PolarHBondContact O-N 2.93Å; L94-C96 VanDerWaalsContact C-N 3.3Å; L94-C96 PolarHBondContact O-N 2.69Å; L94-T97 PolarHBondContact O-N 3.36Å; L94-T97 PolarHBondContact O-OG1 3.23Å; L94-Q98 PolarHBondContact O-N 2.95Å |
| 95 | A | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -38.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L55 Y58 T91 V92 G93 Q98 Y99 I102 | L55-A95 HydrophobicContact CD1-CB 4.16Å; Y58-A95 HydrophobicContact CD1-CB 3.62Å; Y58-A95 HydrophobicContact CD2-CB 4.32Å; Y58-A95 HydrophobicContact CE1-CB 3.38Å; Y58-A95 HydrophobicContact CE2-CB 4.11Å; Y58-A95 HydrophobicContact CG-CB 4.09Å; T91-A95 PolarHBondContact O-N 3.22Å; V92-A95 CarbonylContact O-C 3.56Å; V92-A95 WeakPolarHBondContact O-CB 3.3Å; V92-A95 PolarHBondContact O-N 2.95Å; G93-A95 VanDerWaalsContact C-N 3.32Å; G93-A95 PolarHBondContact O-N 3.03Å; A95-Q98 CarbonylContact O-C 3.6Å; A95-Q98 PolarHBondContact O-N 3.13Å; A95-Y99 VanDerWaalsContact O-CA 3.27Å; A95-Y99 WeakPolarHBondContact O-CA 3.31Å; A95-Y99 PolarHBondContact O-N 2.99Å; A95-I102 HydrophobicContact CB-CD1 3.9Å |
| 96 | C | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 173.1 | -63.5 | 0 | 0 | 0 | 0 | 110.8 | V92 G93 L94 Q98 Y99 L148 Y151 | V92-C96 PolarHBondContact O-N 3.36Å; V92-C96 PolarHBondContact O-SG 2.75Å; G93-C96 WeakPolarHBondContact O-CB 3.37Å; G93-C96 PolarHBondContact O-N 2.82Å; L94-C96 VanDerWaalsContact C-N 3.3Å; L94-C96 PolarHBondContact O-N 2.69Å; C96-Q98 PolarHBondContact O-N 2.88Å; C96-Y99 VanDerWaalsContact O-CB 3.28Å; C96-Y99 WeakPolarHBondContact O-CB 3.16Å; C96-Y99 PolarHBondContact O-N 2.87Å; C96-L148 HydrophobicContact CB-CD1 3.43Å; C96-L148 VanDerWaalsContact CB-CD1 3.43Å; C96-Y151 VanDerWaalsContact O-CB 3.28Å; C96-Y151 WeakPolarHBondContact O-CB 3.35Å; C96-Y151 VanDerWaalsContact O-CD2 3.31Å; C96-Y151 WeakPolarHBondContact O-CD2 3.5Å |
| 97 | T | 91.4 | Very high | 88.7 | Confident | 49 Ų | 49 | 46.4 Ų | 46.4 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.9 | -20.9 | -179.5 | 66.6 | 0 | 0 | 0 | 0 | 113.8 | G93 L94 L145 L148 | G93-T97 PolarHBondContact O-N 2.89Å; G93-T97 VanDerWaalsContact O-N 3.09Å; L94-T97 PolarHBondContact O-N 3.36Å; L94-T97 PolarHBondContact O-OG1 3.23Å; T97-L145 HydrophobicContact CG2-CD1 4.08Å; T97-L148 HydrophobicContact CG2-CD1 4.12Å; T97-L148 HydrophobicContact CG2-CD2 4.33Å |
| 98 | Q | 91.9 | Very high | 88.7 | Confident | 72 Ų | 72 | 46.9 Ų | 46.9 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 11 | 178.4 | -61.6 | -62.4 | -60.2 | 0 | 0 | 112.7 | L55 L94 A95 C96 G100 H101 I102 | L55-Q98 HydrophobicContact CD2-CB 4.28Å; L55-Q98 HydrophobicContact CD2-CG 4Å; L94-Q98 PolarHBondContact O-N 2.95Å; A95-Q98 CarbonylContact O-C 3.6Å; A95-Q98 PolarHBondContact O-N 3.13Å; C96-Q98 PolarHBondContact O-N 2.88Å; Q98-G100 PolarHBondContact O-N 3.27Å; Q98-H101 WeakPolarHBondContact O-CB 3.3Å; Q98-H101 PolarHBondContact O-N 3.05Å; Q98-I102 HydrophobicContact CB-CG2 4.17Å; Q98-I102 WeakPolarHBondContact O-CG1 3.49Å; Q98-I102 PolarHBondContact O-N 3.09Å |
| 99 | Y | 92.1 | Very high | 89.1 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | -162.5 | -162.9 | -110.9 | 0 | 0 | 0 | 112.8 | A95 C96 H101 I102 F103 Y151 M153 A154 M195 | A95-Y99 VanDerWaalsContact O-CA 3.27Å; A95-Y99 WeakPolarHBondContact O-CA 3.31Å; A95-Y99 PolarHBondContact O-N 2.99Å; C96-Y99 VanDerWaalsContact O-CB 3.28Å; C96-Y99 WeakPolarHBondContact O-CB 3.16Å; C96-Y99 PolarHBondContact O-N 2.87Å; Y99-H101 VanDerWaalsContact C-N 3.3Å; Y99-H101 PolarHBondContact O-N 2.88Å; Y99-I102 PolarHBondContact O-N 3.42Å; Y99-F103 HydrophobicContact CE1-CD2 4.04Å; Y99-F103 HydrophobicContact CE1-CE2 4.44Å; Y99-F103 WeakPolarHBondContact O-CA 3.47Å; Y99-F103 WeakPolarHBondContact O-CB 3.49Å; Y99-F103 PolarHBondContact O-N 3.14Å; Y99-Y151 HydrophobicContact CD1-CD1 4.14Å; Y99-Y151 HydrophobicContact CG-CD1 4.48Å; Y99-M153 HydrophobicContact CE1-CB 3.92Å; Y99-M153 HydrophobicContact CE1-CG 4.32Å; Y99-M153 VanDerWaalsContact OH-CG 3.28Å; Y99-M153 WeakPolarHBondContact OH-CG 3.25Å; Y99-A154 HydrophobicContact CD2-CB 3.9Å; Y99-A154 HydrophobicContact CE2-CB 3.73Å; Y99-M195 HydrophobicContact CD1-CE 3.34Å; Y99-M195 HydrophobicContact CE1-CE 3.79Å; Y99-M195 HydrophobicContact CG-CE 4.34Å |
| 100 | G | 88 | Confident | 89.7 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 18% | 0.175 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.6 | -33.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q98 Y151 | Q98-G100 PolarHBondContact O-N 3.27Å; G100-Y151 WeakPolarHBondContact CA-OH 3.4Å; G100-Y151 VanDerWaalsContact N-CE1 3.29Å |
| 101 | H | 87.4 | Confident | 90.2 | Very high | 96 Ų | 96 | 46 Ų | 46 | 44% | 0.444 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -78.5 | -33.7 | 178.7 | -60.2 | -60.5 | 0 | 0 | 0 | 113.1 | Q98 Y99 F193 | Q98-H101 WeakPolarHBondContact O-CB 3.3Å; Q98-H101 PolarHBondContact O-N 3.05Å; Y99-H101 VanDerWaalsContact C-N 3.3Å; Y99-H101 PolarHBondContact O-N 2.88Å; H101-F193 AromaticContact CE1-CD2 3.57Å; H101-F193 AromaticContact CE1-CG 3.92Å |
| 102 | I | 88.9 | Confident | 90.5 | Very high | 29 Ų | 29 | 46.4 Ų | 46.4 | 15% | 0.149 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -94.2 | -0.2 | -179.3 | 71.8 | 177 | 0 | 0 | 0 | 112.5 | L55 Y58 I59 A95 Q98 Y99 R104 | L55-I102 HydrophobicContact CD1-CD1 4.14Å; Y58-I102 HydrophobicContact CD1-CD1 4.18Å; Y58-I102 HydrophobicContact CE1-CD1 3.9Å; I59-I102 HydrophobicContact CD1-CB 4.24Å; I59-I102 HydrophobicContact CD1-CG2 3.77Å; I59-I102 HydrophobicContact CG1-CB 4.29Å; I59-I102 HydrophobicContact CG1-CG2 4.28Å; A95-I102 HydrophobicContact CB-CD1 3.9Å; Q98-I102 HydrophobicContact CB-CG2 4.17Å; Q98-I102 WeakPolarHBondContact O-CG1 3.49Å; Q98-I102 PolarHBondContact O-N 3.09Å; Y99-I102 PolarHBondContact O-N 3.42Å; I102-R104 PolarHBondContact O-N 3.35Å |
| 103 | F | 87.1 | Confident | 90.9 | Very high | 68 Ų | 68 | 46.9 Ų | 46.9 | 30% | 0.298 | 23% | 0.228 | S | C | . | . | trans | -59.3 | 126.6 | -179.2 | -170.7 | -99.4 | 0 | 0 | 0 | 110.6 | Y99 P106 F110 M195 | Y99-F103 HydrophobicContact CE1-CD2 4.04Å; Y99-F103 HydrophobicContact CE1-CE2 4.44Å; Y99-F103 WeakPolarHBondContact O-CA 3.47Å; Y99-F103 WeakPolarHBondContact O-CB 3.49Å; Y99-F103 PolarHBondContact O-N 3.14Å; F103-P106 HydrophobicContact CE2-CB 4.4Å; F103-P106 HydrophobicContact CZ-CB 3.89Å; F103-P106 HydrophobicContact CZ-CG 4.49Å; F103-F110 HydrophobicContact CE2-CZ 4.4Å; F103-M195 HydrophobicContact CB-CE 3.99Å; F103-M195 HydrophobicContact CB-SD 3.73Å; F103-M195 HydrophobicContact CD1-SD 3.99Å; F103-M195 HydrophobicContact CD2-CE 3.6Å; F103-M195 HydrophobicContact CD2-SD 3.77Å; F103-M195 HydrophobicContact CE2-CE 4.27Å; F103-M195 HydrophobicContact CE2-SD 4.33Å; F103-M195 HydrophobicContact CG-CE 3.93Å; F103-M195 HydrophobicContact CG-SD 3.56Å; F103-M195 VanDerWaalsContact CG-SD 3.56Å | ||
| 104 | R | 80.7 | Confident | 91.3 | Very high | 188 Ų | 188 | 52.1 Ų | 52.1 | 71% | 0.709 | 25% | 0.253 | S | S | * | . | trans | -124.6 | -86.8 | 179.5 | -65.7 | -62.3 | -175 | -151.2 | -2.3 | 109.6 | I102 | I102-R104 PolarHBondContact O-N 3.35Š| ||
| 105 | R | 82.9 | Confident | 91.7 | Very high | 123 Ų | 123 | 50.9 Ų | 50.9 | 46% | 0.464 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -103.3 | 129.4 | 177.4 | -164.5 | 173.1 | -177.3 | 154 | 3.1 | 108.5 | E66 K107 | E66-R105 HydrophobicContact CG-CB 4.3Å; R105-K107 PolarHBondContact O-N 2.82Å |
| 106 | P | 82.8 | Confident | 91.9 | Very high | 79 Ų | 79 | 56.4 Ų | 56.4 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | trans | -59.9 | 133.6 | 175.7 | 22.6 | -31 | 0 | 0 | 0 | 110 | F103 F110 | F103-P106 HydrophobicContact CE2-CB 4.4Å; F103-P106 HydrophobicContact CZ-CB 3.89Å; F103-P106 HydrophobicContact CZ-CG 4.49Å; P106-F110 HydrophobicContact CB-CE2 4.33Å | ||
| 107 | K | 84.9 | Confident | 92.2 | Very high | 39 Ų | 39 | 59 Ų | 59 | 17% | 0.17 | 30% | 0.295 | C | S | . | . | trans | -123.3 | 127.1 | 168.6 | -67.4 | -172.1 | -175.5 | 167.6 | 0 | 108.2 | M62 R105 M153 V157 | M62-K107 PolarHBondContact O-NZ 3.24Å; R105-K107 PolarHBondContact O-N 2.82Å; K107-M153 VanDerWaalsContact O-SD 3.4Å; K107-V157 HydrophobicContact CB-CG2 3.96Å; K107-V157 HydrophobicContact CD-CG1 4.22Å | ||
| 108 | G | 93.8 | Very high | 92.5 | Very high | 10 Ų | 10 | 62.3 Ų | 62.3 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 89.4 | -178.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | P176 | G108-P176 CarbonylContact C-O 3.42Å; G108-P176 WeakPolarHBondContact CA-O 3.45Å |
| 109 | L | 97.4 | Very high | 92.8 | Very high | 18 Ų | 18 | 58.9 Ų | 58.9 | 9% | 0.094 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 138.9 | 178.4 | -68.1 | 176.5 | 0 | 0 | 0 | 111.1 | I122 L123 W126 M153 L175 P176 V177 V178 | L109-I122 HydrophobicContact CD2-CG2 4.31Å; L109-L123 HydrophobicContact CD1-CD2 3.71Å; L109-W126 HydrophobicContact CD1-CB 4.27Å; L109-W126 HydrophobicContact CD2-CE3 4.04Å; L109-W126 HydrophobicContact CG-CE3 3.99Å; L109-M153 WeakPolarHBondContact O-CE 3.44Å; L109-L175 HydrophobicContact CB-CD1 4.48Å; L109-L175 HydrophobicContact CD1-CD1 3.85Å; L109-L175 HydrophobicContact CD1-CD2 4.2Å; L109-L175 HydrophobicContact CG-CD1 3.87Å; L109-P176 PolarHBondContact N-O 3.42Å; L109-V177 HydrophobicContact CB-CG2 4.43Å; L109-V177 WeakPolarHBondContact O-CA 3.25Å; L109-V178 PolarHBondContact O-N 3.42Å |
| 110 | F | 98.1 | Very high | 93.1 | Very high | 66 Ų | 66 | 61.1 Ų | 61.1 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 115.3 | 174.3 | -58.8 | -99.3 | 0 | 0 | 0 | 106.6 | F103 P106 C150 M153 V178 | F103-F110 HydrophobicContact CE2-CZ 4.4Å; P106-F110 HydrophobicContact CB-CE2 4.33Å; F110-C150 VanDerWaalsContact CD1-SG 3.52Å; F110-M153 HydrophobicContact CD1-CE 4.03Å; F110-M153 HydrophobicContact CD2-CE 4.17Å; F110-M153 HydrophobicContact CE1-CB 3.93Å; F110-M153 HydrophobicContact CE1-CE 3.81Å; F110-M153 HydrophobicContact CE1-CG 3.97Å; F110-M153 HydrophobicContact CE2-CE 3.95Å; F110-M153 HydrophobicContact CG-CE 4.2Å; F110-M153 HydrophobicContact CZ-CB 4.22Å; F110-M153 HydrophobicContact CZ-CE 3.77Å; F110-M153 HydrophobicContact CZ-CG 3.76Å; F110-V178 HydrophobicContact CB-CG1 4.22Å; F110-V178 HydrophobicContact CD1-CG1 3.28Å; F110-V178 HydrophobicContact CE1-CG1 3.86Å; F110-V178 HydrophobicContact CG-CG1 4Å |
| 111 | I | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 121.3 | 180 | -60.1 | 167.8 | 0 | 0 | 0 | 106.7 | D115 I119 I122 V177 V178 L179 D180 L210 F214 | I111-D115 HydrophobicContact CG2-CB 4.35Å; I111-I119 HydrophobicContact CD1-CG2 4.04Å; I111-I119 HydrophobicContact CG2-CD1 4.12Å; I111-I119 HydrophobicContact CG2-CG1 3.89Å; I111-I122 HydrophobicContact CG1-CG2 4.07Å; I111-V177 HydrophobicContact CD1-CG1 3.93Å; I111-V177 HydrophobicContact CG1-CG1 4.48Å; I111-V178 PolarHBondContact N-O 2.91Å; I111-L179 HydrophobicContact CB-CD2 3.8Å; I111-L179 HydrophobicContact CD1-CD2 4.15Å; I111-L179 HydrophobicContact CG2-CD2 4.19Å; I111-L179 CarbonylContact O-C 3.53Å; I111-L179 VanDerWaalsContact O-CA 3.28Å; I111-L179 WeakPolarHBondContact O-CA 3.38Å; I111-D180 PolarHBondContact O-N 2.99Å; I111-L210 HydrophobicContact CG2-CD1 4.35Å; I111-F214 HydrophobicContact CD1-CD2 3.81Å; I111-F214 HydrophobicContact CD1-CE2 3.94Å |
| 112 | S | 98.4 | Very high | 94.1 | Very high | 19 Ų | 19 | 59.9 Ų | 59.9 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 163 | -178.3 | 78.1 | 0 | 0 | 0 | 0 | 111.9 | L114 D115 D180 | S112-L114 PolarHBondContact O-N 3.47Å; S112-L114 VanDerWaalsContact O-N 3.1Å; S112-L114 WeakPolarHBondContact OG-CB 3.17Å; S112-L114 PolarHBondContact OG-N 2.92Å; S112-D115 WeakPolarHBondContact CA-OD2 3.44Å; S112-D115 VanDerWaalsContact CB-OD2 3.31Å; S112-D115 WeakPolarHBondContact CB-OD2 3.44Å; S112-D115 PolarHBondContact N-OD2 2.8Å; S112-D115 WeakPolarHBondContact O-CB 3.45Å; S112-D115 PolarHBondContact O-N 3.24Å; S112-D115 PolarHBondContact OG-OD2 3.11Å; S112-D180 CarbonylContact C-O 3.46Å; S112-D180 WeakPolarHBondContact CA-O 3.18Å |
| 113 | I | 98.6 | Very high | 94.5 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.051 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -58.1 | -21.8 | 169.9 | -164.8 | 62.3 | 0 | 0 | 0 | 113.1 | D115 D180 V181 L197 D202 A206 L210 | I113-D115 VanDerWaalsContact C-N 3.28Å; I113-D180 PolarHBondContact N-O 2.92Å; I113-V181 HydrophobicContact CB-CB 4.4Å; I113-V181 HydrophobicContact CB-CG1 4.16Å; I113-V181 HydrophobicContact CD1-CG1 4.22Å; I113-L197 HydrophobicContact CG2-CD1 3.79Å; I113-D202 HydrophobicContact CG1-CB 4.28Å; I113-A206 HydrophobicContact CD1-CB 4.08Å; I113-A206 WeakPolarHBondContact CD1-O 3.46Å; I113-A206 HydrophobicContact CG1-CB 4.46Å; I113-L210 HydrophobicContact CD1-CB 3.89Å; I113-L210 HydrophobicContact CD1-CD2 3.91Å; I113-L210 HydrophobicContact CD1-CG 4.37Å |
| 114 | L | 98.3 | Very high | 94.9 | Very high | 120 Ų | 120 | 59.4 Ų | 59.4 | 63% | 0.628 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -77.6 | -15.2 | 178.3 | -52.2 | 179.7 | 0 | 0 | 0 | 112.6 | S112 R116 L197 | S112-L114 PolarHBondContact O-N 3.47Å; S112-L114 VanDerWaalsContact O-N 3.1Å; S112-L114 WeakPolarHBondContact OG-CB 3.17Å; S112-L114 PolarHBondContact OG-N 2.92Å; L114-R116 VanDerWaalsContact C-N 3.33Å; L114-L197 HydrophobicContact CD1-CD2 3.86Å; L114-L197 HydrophobicContact CG-CD1 4.4Å; L114-L197 HydrophobicContact CG-CD2 4.49Å |
| 115 | D | 98.6 | Very high | 95.6 | Very high | 49 Ų | 49 | 56.5 Ų | 56.5 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -90.4 | 3.9 | -178.5 | -60.8 | -57.2 | 0 | 0 | 0 | 113.4 | I111 S112 I113 G117 H118 I122 | I111-D115 HydrophobicContact CG2-CB 4.35Å; S112-D115 WeakPolarHBondContact CA-OD2 3.44Å; S112-D115 VanDerWaalsContact CB-OD2 3.31Å; S112-D115 WeakPolarHBondContact CB-OD2 3.44Å; S112-D115 PolarHBondContact N-OD2 2.8Å; S112-D115 WeakPolarHBondContact O-CB 3.45Å; S112-D115 PolarHBondContact O-N 3.24Å; S112-D115 PolarHBondContact OG-OD2 3.11Å; I113-D115 VanDerWaalsContact C-N 3.28Å; D115-G117 PolarHBondContact O-N 2.8Å; D115-H118 WeakPolarHBondContact O-CA 3.41Å; D115-H118 WeakPolarHBondContact O-CB 3.27Å; D115-H118 PolarHBondContact O-N 3.2Å; D115-I122 HydrophobicContact CB-CD1 3.47Å; D115-I122 VanDerWaalsContact CB-CD1 3.47Å; D115-I122 VanDerWaalsContact CG-CD1 3.47Å |
| 116 | R | 97.7 | Very high | 96.2 | Very high | 115 Ų | 115 | 53 Ų | 53 | 43% | 0.434 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 129.7 | 178.1 | -170.4 | -178.5 | 63 | -124.6 | -1.3 | 110.7 | L114 L210 E213 | L114-R116 VanDerWaalsContact C-N 3.33Å; R116-L210 HydrophobicContact CB-CD1 4.21Å; R116-E213 WeakPolarHBondContact CA-OE2 3.41Å; R116-E213 WeakPolarHBondContact CG-OE2 3.29Å |
| 117 | G | 98.3 | Very high | 96.5 | Very high | 56 Ų | 56 | 54 Ų | 54 | 58% | 0.577 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | -3.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D115 E213 | D115-G117 PolarHBondContact O-N 2.8Å; G117-E213 VanDerWaalsContact CA-OE1 3.31Å; G117-E213 WeakPolarHBondContact CA-OE1 3.31Å; G117-E213 PolarHBondContact N-OE1 3.14Å; G117-E213 PolarHBondContact N-OE2 2.86Å |
| 118 | H | 98.5 | Very high | 96.7 | Very high | 117 Ų | 117 | 53.1 Ų | 53.1 | 54% | 0.542 | 29% | 0.289 | S | S | . | . | trans | -133.4 | 8.1 | -172.9 | -58 | -61.2 | 0 | 0 | 0 | 114.2 | D115 R120 S121 I122 E213 | D115-H118 WeakPolarHBondContact O-CA 3.41Å; D115-H118 WeakPolarHBondContact O-CB 3.27Å; D115-H118 PolarHBondContact O-N 3.2Å; H118-R120 VanDerWaalsContact C-N 3.28Å; H118-R120 PolarHBondContact O-N 2.89Å; H118-S121 WeakPolarHBondContact O-CB 3.42Å; H118-S121 PolarHBondContact O-N 3.26Å; H118-S121 PolarHBondContact O-OG 3.3Å; H118-I122 PolarHBondContact O-N 3.28Å; H118-E213 PolarHBondContact N-OE1 3.43Å | ||
| 119 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.3 | -41.1 | -175.5 | -64.6 | 179.4 | 0 | 0 | 0 | 111.7 | I111 S121 I122 L123 L210 E213 F214 A217 | I111-I119 HydrophobicContact CD1-CG2 4.04Å; I111-I119 HydrophobicContact CG2-CD1 4.12Å; I111-I119 HydrophobicContact CG2-CG1 3.89Å; I119-S121 PolarHBondContact O-N 3.2Å; I119-I122 WeakPolarHBondContact O-CB 3.3Å; I119-I122 PolarHBondContact O-N 3.33Å; I119-L123 HydrophobicContact CG2-CD1 4.27Å; I119-L123 HydrophobicContact CG2-CG 4.21Å; I119-L123 WeakPolarHBondContact O-CG 3.43Å; I119-L123 PolarHBondContact O-N 3.42Å; I119-L210 HydrophobicContact CD1-CD1 3.82Å; I119-L210 HydrophobicContact CD1-CG 4.38Å; I119-L210 HydrophobicContact CG1-CD1 4.43Å; I119-E213 HydrophobicContact CB-CG 4.14Å; I119-E213 WeakPolarHBondContact CB-OE1 3.35Å; I119-E213 HydrophobicContact CD1-CB 3.89Å; I119-E213 HydrophobicContact CD1-CG 3.79Å; I119-E213 HydrophobicContact CG1-CG 4.1Å; I119-E213 WeakPolarHBondContact CG1-OE1 3.36Å; I119-E213 PolarHBondContact N-OE1 3.33Å; I119-F214 HydrophobicContact CD1-CB 3.86Å; I119-F214 HydrophobicContact CG2-CD2 4.34Å; I119-A217 HydrophobicContact CB-CB 4.2Å; I119-A217 HydrophobicContact CG2-CB 3.8Å |
| 120 | R | 97.8 | Very high | 96.3 | Very high | 64 Ų | 64 | 62 Ų | 62 | 24% | 0.242 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.4 | -42.3 | 177.2 | -173.8 | 71.9 | -158 | 76.7 | 5.5 | 111.8 | H118 L123 D124 A217 K221 | H118-R120 VanDerWaalsContact C-N 3.28Å; H118-R120 PolarHBondContact O-N 2.89Å; R120-L123 PolarHBondContact O-N 2.99Å; R120-D124 IonicContact CZ-OD1 3.55Å; R120-D124 IonicContact CZ-OD2 3.63Å; R120-D124 VanDerWaalsContact NH1-CG 3.27Å; R120-D124 IonicContact NH1-OD1 3.72Å; R120-D124 PolarHBondContact NH1-OD1 2.81Å; R120-D124 IonicContact NH1-OD2 2.66Å; R120-D124 PolarHBondContact NH1-OD2 3.49Å; R120-D124 IonicContact NH2-OD1 2.78Å; R120-D124 PolarHBondContact NH2-OD1 3.27Å; R120-D124 IonicContact NH2-OD2 3.43Å; R120-D124 PolarHBondContact O-N 2.95Å; R120-A217 HydrophobicContact CB-CB 4.3Å; R120-K221 VanDerWaalsContact CZ-CB 3.44Å; R120-K221 VanDerWaalsContact NH1-CD 3.29Å; R120-K221 VanDerWaalsContact NH2-CG 3.35Å |
| 121 | S | 97.9 | Very high | 96.3 | Very high | 62 Ų | 62 | 59 Ų | 59 | 43% | 0.434 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.9 | -34.6 | 178.4 | 75.3 | 0 | 0 | 0 | 0 | 112.8 | H118 I119 D124 | H118-S121 WeakPolarHBondContact O-CB 3.42Å; H118-S121 PolarHBondContact O-N 3.26Å; H118-S121 PolarHBondContact O-OG 3.3Å; I119-S121 PolarHBondContact O-N 3.2Å; S121-D124 PolarHBondContact O-N 3.37Å |
| 122 | I | 98 | Very high | 96.3 | Very high | 25 Ų | 25 | 59.6 Ų | 59.6 | 13% | 0.128 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 175.2 | -64.6 | 173.2 | 0 | 0 | 0 | 110.2 | L109 I111 D115 H118 I119 D124 N125 | L109-I122 HydrophobicContact CD2-CG2 4.31Å; I111-I122 HydrophobicContact CG1-CG2 4.07Å; D115-I122 HydrophobicContact CB-CD1 3.47Å; D115-I122 VanDerWaalsContact CB-CD1 3.47Å; D115-I122 VanDerWaalsContact CG-CD1 3.47Å; H118-I122 PolarHBondContact O-N 3.28Å; I119-I122 WeakPolarHBondContact O-CB 3.3Å; I119-I122 PolarHBondContact O-N 3.33Å; I122-D124 PolarHBondContact O-N 3.21Å; I122-N125 WeakPolarHBondContact O-CB 3.4Å; I122-N125 PolarHBondContact O-N 3.14Å |
| 123 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.6 | -36.7 | 176 | -66.7 | 177.1 | 0 | 0 | 0 | 111.1 | L109 I119 R120 N125 W126 L175 A217 V218 K221 Y222 | L109-L123 HydrophobicContact CD1-CD2 3.71Å; I119-L123 HydrophobicContact CG2-CD1 4.27Å; I119-L123 HydrophobicContact CG2-CG 4.21Å; I119-L123 WeakPolarHBondContact O-CG 3.43Å; I119-L123 PolarHBondContact O-N 3.42Å; R120-L123 PolarHBondContact O-N 2.99Å; L123-N125 PolarHBondContact O-N 2.95Å; L123-W126 VanDerWaalsContact O-CB 3.24Å; L123-W126 WeakPolarHBondContact O-CB 3.43Å; L123-W126 PolarHBondContact O-N 2.7Å; L123-L175 HydrophobicContact CD2-CD2 4.23Å; L123-A217 VanDerWaalsContact CD1-C 3.45Å; L123-A217 HydrophobicContact CD1-CB 3.79Å; L123-A217 WeakPolarHBondContact CD1-O 3.24Å; L123-V218 HydrophobicContact CD1-CG2 4.1Å; L123-V218 HydrophobicContact CD2-CG2 4.4Å; L123-K221 VanDerWaalsContact C-NZ 3.25Å; L123-K221 HydrophobicContact CB-CD 3.76Å; L123-K221 HydrophobicContact CD1-CB 4.46Å; L123-K221 PolarHBondContact O-NZ 3.31Å; L123-Y222 HydrophobicContact CD2-CE2 4.41Å |
| 124 | D | 96.1 | Very high | 96.3 | Very high | 87 Ų | 87 | 58.2 Ų | 58.2 | 47% | 0.465 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.5 | -18 | 177.1 | -70.8 | -24.1 | 0 | 0 | 0 | 115.1 | R120 S121 I122 W126 K221 | R120-D124 IonicContact CZ-OD1 3.55Å; R120-D124 IonicContact CZ-OD2 3.63Å; R120-D124 VanDerWaalsContact NH1-CG 3.27Å; R120-D124 IonicContact NH1-OD1 3.72Å; R120-D124 PolarHBondContact NH1-OD1 2.81Å; R120-D124 IonicContact NH1-OD2 2.66Å; R120-D124 PolarHBondContact NH1-OD2 3.49Å; R120-D124 IonicContact NH2-OD1 2.78Å; R120-D124 PolarHBondContact NH2-OD1 3.27Å; R120-D124 IonicContact NH2-OD2 3.43Å; R120-D124 PolarHBondContact O-N 2.95Å; S121-D124 PolarHBondContact O-N 3.37Å; I122-D124 PolarHBondContact O-N 3.21Å; D124-W126 VanDerWaalsContact C-N 3.29Å; D124-K221 IonicContact OD1-NZ 2.73Å |
| 125 | N | 95.4 | Very high | 96.3 | Very high | 127 Ų | 127 | 52.5 Ų | 52.5 | 68% | 0.679 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -14.9 | 171.5 | -61.1 | -42.5 | 0 | 0 | 0 | 113 | I122 L123 | I122-N125 WeakPolarHBondContact O-CB 3.4Å; I122-N125 PolarHBondContact O-N 3.14Å; L123-N125 PolarHBondContact O-N 2.95Å |
| 126 | W | 94.6 | Very high | 96.4 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 19% | 0.193 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -70.4 | 127.5 | 175.2 | -169.3 | -112.3 | 0 | 0 | 0 | 110.5 | L109 L123 D124 A128 L175 | L109-W126 HydrophobicContact CD1-CB 4.27Å; L109-W126 HydrophobicContact CD2-CE3 4.04Å; L109-W126 HydrophobicContact CG-CE3 3.99Å; L123-W126 VanDerWaalsContact O-CB 3.24Å; L123-W126 WeakPolarHBondContact O-CB 3.43Å; L123-W126 PolarHBondContact O-N 2.7Å; D124-W126 VanDerWaalsContact C-N 3.29Å; W126-A128 VanDerWaalsContact C-N 3.32Å; W126-A128 PolarHBondContact O-N 3.42Å; W126-L175 HydrophobicContact CD2-CD1 3.58Å; W126-L175 HydrophobicContact CE3-CD1 3.82Å; W126-L175 HydrophobicContact CG-CD1 4.06Å; W126-L175 HydrophobicContact CH2-CD1 4.18Å; W126-L175 HydrophobicContact CZ2-CD1 3.95Å; W126-L175 HydrophobicContact CZ3-CD1 4.12Å |
| 127 | P | 89.7 | Confident | 96.4 | Very high | 99 Ų | 99 | 44.7 Ų | 44.7 | 64% | 0.643 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -69.1 | -27.5 | -171.5 | 26.6 | -35.5 | 0 | 0 | 0 | 113.6 | ||
| 128 | A | 89.2 | Confident | 96.4 | Very high | 21 Ų | 21 | 42 Ų | 42 | 17% | 0.174 | 23% | 0.232 | C | C | . | . | trans | -81.4 | 130.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | W126 V131 E172 | W126-A128 VanDerWaalsContact C-N 3.32Å; W126-A128 PolarHBondContact O-N 3.42Å; A128-V131 HydrophobicContact CB-CG2 4.38Å; A128-E172 VanDerWaalsContact CB-O 3.31Å; A128-E172 WeakPolarHBondContact CB-O 3.44Å | ||
| 129 | T | 89.8 | Confident | 96.3 | Very high | 121 Ų | 121 | 36.5 Ų | 36.5 | 74% | 0.742 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -93.3 | -12 | 179.8 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 130 | N | 92.6 | Very high | 96.3 | Very high | 94 Ų | 94 | 37.9 Ų | 37.9 | 50% | 0.503 | 21% | 0.212 | S | C | . | . | trans | -130.3 | 65.9 | -174.6 | -170.7 | 9.1 | 0 | 0 | 0 | 111.3 | ||||
| 131 | V | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | trans | -73.5 | 133.7 | 174.1 | 172.3 | 0 | 0 | 0 | 0 | 109 | A128 V134 L175 Y222 T226 | A128-V131 HydrophobicContact CB-CG2 4.38Å; V131-V134 HydrophobicContact CG1-CG2 3.85Å; V131-L175 HydrophobicContact CG1-CB 3.62Å; V131-L175 HydrophobicContact CG1-CD2 4.37Å; V131-L175 HydrophobicContact CG2-CB 4.08Å; V131-L175 HydrophobicContact CG2-CD2 4.4Å; V131-Y222 HydrophobicContact CB-CD1 3.68Å; V131-Y222 HydrophobicContact CB-CD2 3.98Å; V131-Y222 HydrophobicContact CB-CE1 3.68Å; V131-Y222 HydrophobicContact CB-CE2 3.99Å; V131-Y222 HydrophobicContact CB-CG 3.81Å; V131-Y222 HydrophobicContact CG1-CD2 4.42Å; V131-Y222 HydrophobicContact CG1-CE2 4.45Å; V131-Y222 HydrophobicContact CG2-CD1 4.04Å; V131-Y222 HydrophobicContact CG2-CE1 3.49Å; V131-Y222 VanDerWaalsContact CG2-CE1 3.49Å; V131-Y222 HydrophobicContact CG2-CE2 4.08Å; V131-T226 HydrophobicContact CG1-CG2 4.5Å | ||
| 132 | A | 98.3 | Very high | 95.8 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 11% | 0.107 | 20% | 0.195 | C | C | . | . | trans | -114.2 | -21.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | K173 L227 I454 | A132-K173 HydrophobicContact CB-CB 4.02Å; A132-K173 HydrophobicContact CB-CD 4.03Å; A132-K173 PolarHBondContact N-O 2.95Å; A132-L227 WeakPolarHBondContact O-CB 3.45Å; A132-L227 PolarHBondContact O-N 3.46Å; A132-I454 HydrophobicContact CB-CD1 4.39Å; A132-I454 HydrophobicContact CB-CG1 4.33Å; A132-I454 HydrophobicContact CB-CG2 3.86Å | ||
| 133 | A | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 126 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | L160 Y163 K173 C174 L175 L227 I454 | A133-L160 HydrophobicContact CB-CD2 4.29Å; A133-Y163 HydrophobicContact CB-CD1 4.11Å; A133-Y163 HydrophobicContact CB-CE1 3.99Å; A133-K173 PolarHBondContact N-O 2.93Å; A133-C174 CarbonylContact O-C 3.58Å; A133-C174 WeakPolarHBondContact O-CA 3.31Å; A133-L175 PolarHBondContact O-N 3.48Å; A133-L227 CarbonylContact C-O 3.57Å; A133-I454 HydrophobicContact CB-CD1 4.09Å |
| 134 | V | 98.9 | Very high | 94 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.8 | 171 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | V131 L175 V177 F214 V218 T226 L227 I228 Q229 | V131-V134 HydrophobicContact CG1-CG2 3.85Å; V134-L175 VanDerWaalsContact CA-O 3.31Å; V134-L175 WeakPolarHBondContact CA-O 3.43Å; V134-L175 HydrophobicContact CG2-CB 4.21Å; V134-L175 HydrophobicContact CG2-CD2 4.22Å; V134-L175 HydrophobicContact CG2-CG 4.47Å; V134-V177 HydrophobicContact CG1-CG2 3.82Å; V134-F214 HydrophobicContact CG1-CZ 3.98Å; V134-V218 HydrophobicContact CG2-CG1 3.96Å; V134-T226 HydrophobicContact CG2-CG2 4.05Å; V134-L227 PolarHBondContact N-O 3.25Å; V134-I228 HydrophobicContact CB-CG1 4.4Å; V134-Q229 PolarHBondContact O-N 3.41Å |
| 135 | V | 98.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124 | 165.2 | 178.8 | 0 | 0 | 0 | 0 | 106.8 | P156 K159 L160 Y163 L175 V177 Q229 E231 | V135-P156 HydrophobicContact CB-CB 4.16Å; V135-P156 HydrophobicContact CG1-CB 3.98Å; V135-P156 HydrophobicContact CG1-CG 4.3Å; V135-P156 WeakPolarHBondContact O-CB 3.34Å; V135-K159 HydrophobicContact CG1-CB 4.15Å; V135-K159 HydrophobicContact CG1-CG 4.39Å; V135-K159 HydrophobicContact CG2-CB 4.23Å; V135-L160 HydrophobicContact CB-CD1 4.28Å; V135-L160 HydrophobicContact CB-CD2 4.35Å; V135-L160 HydrophobicContact CB-CG 4.11Å; V135-L160 HydrophobicContact CG2-CD1 4.34Å; V135-L160 HydrophobicContact CG2-CD2 3.53Å; V135-L160 HydrophobicContact CG2-CG 3.72Å; V135-Y163 HydrophobicContact CG2-CE2 4.36Å; V135-L175 PolarHBondContact N-O 2.93Å; V135-L175 VanDerWaalsContact N-O 3.15Å; V135-V177 PolarHBondContact O-N 3.36Å; V135-Q229 WeakPolarHBondContact CA-O 3.49Å; V135-Q229 HydrophobicContact CG2-CB 4.19Å; V135-E231 HydrophobicContact CG1-CB 4.09Å |
| 136 | V | 98.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 142.8 | -175.8 | 64 | 0 | 0 | 0 | 0 | 110.5 | V177 L179 F214 I228 Q229 F230 E231 F233 | V136-V177 WeakPolarHBondContact CA-O 3.4Å; V136-V177 HydrophobicContact CB-CB 4.22Å; V136-V177 HydrophobicContact CG2-CB 4.01Å; V136-V177 HydrophobicContact CG2-CG1 3.97Å; V136-L179 HydrophobicContact CG2-CD1 3.69Å; V136-L179 HydrophobicContact CG2-CD2 4.27Å; V136-L179 HydrophobicContact CG2-CG 3.6Å; V136-F214 HydrophobicContact CB-CE1 4.11Å; V136-F214 HydrophobicContact CB-CZ 4.06Å; V136-F214 HydrophobicContact CG1-CE1 4.03Å; V136-F214 HydrophobicContact CG1-CZ 4.45Å; V136-F214 HydrophobicContact CG2-CE1 3.96Å; V136-F214 HydrophobicContact CG2-CZ 3.91Å; V136-I228 HydrophobicContact CG1-CG2 4.1Å; V136-Q229 WeakPolarHBondContact CG1-O 3.4Å; V136-Q229 PolarHBondContact N-O 2.67Å; V136-F230 HydrophobicContact CG1-CD1 4.29Å; V136-F230 HydrophobicContact CG1-CE1 4.45Å; V136-F230 HydrophobicContact CG1-CG 4.32Å; V136-E231 PolarHBondContact O-N 3.39Å; V136-F233 HydrophobicContact CG1-CE2 4.34Å; V136-F233 HydrophobicContact CG1-CZ 4.42Å; V136-F233 HydrophobicContact CG2-CZ 4.41Å; V136-F233 WeakPolarHBondContact O-CE2 3.27Å |
| 137 | T | 98.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 153.5 | 172.1 | -170.6 | 0 | 0 | 0 | 0 | 110.4 | G139 P156 V177 V178 L179 E231 | T137-G139 PolarHBondContact OG1-N 3.45Å; T137-G139 VanDerWaalsContact OG1-N 3.07Å; T137-P156 HydrophobicContact CG2-CG 3.57Å; T137-V177 PolarHBondContact N-O 2.94Å; T137-V178 HydrophobicContact CG2-CB 4.5Å; T137-V178 HydrophobicContact CG2-CG2 4.01Å; T137-V178 CarbonylContact O-C 3.58Å; T137-V178 WeakPolarHBondContact O-CA 3.44Å; T137-L179 PolarHBondContact O-N 3.48Å; T137-E231 WeakPolarHBondContact CA-O 3.27Å; T137-E231 WeakPolarHBondContact CB-O 3.47Å; T137-E231 PolarHBondContact OG1-O 3.39Å |
| 138 | D | 98.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | trans | -100.8 | 0.2 | 164.2 | 72.7 | -3.2 | 0 | 0 | 0 | 112.7 | E140 L179 R201 Y207 F233 | D138-E140 PolarHBondContact O-N 2.84Å; D138-E140 VanDerWaalsContact OD1-CB 3.27Å; D138-E140 WeakPolarHBondContact OD1-CB 3.38Å; D138-E140 PolarHBondContact OD1-N 2.93Å; D138-L179 WeakPolarHBondContact CA-O 3.35Å; D138-R201 PolarHBondContact O-NH1 2.97Å; D138-R201 PolarHBondContact O-NH2 3.35Å; D138-R201 IonicContact OD2-NH1 2.89Å; D138-Y207 PolarHBondContact OD2-OH 3.34Å; D138-F233 HydrophobicContact CB-CD1 3.96Å; D138-F233 HydrophobicContact CB-CE1 3.71Å; D138-F233 HydrophobicContact CB-CZ 4.32Å; D138-F233 WeakPolarHBondContact OD2-CD1 3.33Å | ||
| 139 | G | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 66.3 | 12.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | T137 R141 D147 L148 G149 R201 | T137-G139 PolarHBondContact OG1-N 3.45Å; T137-G139 VanDerWaalsContact OG1-N 3.07Å; G139-R141 VanDerWaalsContact C-N 3.31Å; G139-R141 PolarHBondContact O-N 3.09Å; G139-D147 WeakPolarHBondContact O-CA 3.45Å; G139-L148 PolarHBondContact O-N 3.01Å; G139-G149 PolarHBondContact O-N 3.34Å; G139-R201 VanDerWaalsContact C-NH2 3.26Å; G139-R201 PolarHBondContact O-NH2 3.44Å |
| 140 | E | 97.3 | Very high | 94.6 | Very high | 30 Ų | 30 | 22 Ų | 22 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -29 | -176.9 | -172.5 | 171.4 | -158.8 | 0 | 0 | 112.1 | D138 G146 D147 R201 R203 G234 N237 | D138-E140 PolarHBondContact O-N 2.84Å; D138-E140 VanDerWaalsContact OD1-CB 3.27Å; D138-E140 WeakPolarHBondContact OD1-CB 3.38Å; D138-E140 PolarHBondContact OD1-N 2.93Å; E140-G146 CarbonylContact O-C 3.55Å; E140-D147 VanDerWaalsContact O-CA 3.24Å; E140-D147 WeakPolarHBondContact O-CA 3.44Å; E140-D147 PolarHBondContact O-N 3.27Å; E140-R201 VanDerWaalsContact CA-CZ 3.48Å; E140-R201 VanDerWaalsContact CA-NH2 3.25Å; E140-R201 VanDerWaalsContact CB-CZ 3.47Å; E140-R201 VanDerWaalsContact N-NH2 3.16Å; E140-R203 IonicContact OE1-CZ 3.86Å; E140-R203 VanDerWaalsContact OE1-CZ 3.3Å; E140-R203 IonicContact OE1-NH1 3.09Å; E140-R203 PolarHBondContact OE1-NH1 2.94Å; E140-R203 IonicContact OE1-NH2 2.7Å; E140-R203 PolarHBondContact OE1-NH2 3.35Å; E140-G234 WeakPolarHBondContact OE2-CA 3.27Å; E140-G234 PolarHBondContact OE2-N 2.82Å; E140-N237 PolarHBondContact OE2-ND2 3.48Å; E140-N237 VanDerWaalsContact OE2-ND2 3.15Å |
| 141 | R | 93.2 | Very high | 94.9 | Very high | 77 Ų | 77 | 17.6 Ų | 17.6 | 29% | 0.291 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.8 | 55.6 | -173 | -163.1 | -165.9 | 167.9 | -146.8 | -7.1 | 112.2 | G139 L143 D232 F233 N235 E290 | G139-R141 VanDerWaalsContact C-N 3.31Å; G139-R141 PolarHBondContact O-N 3.09Å; R141-L143 PolarHBondContact O-N 3.04Å; R141-L143 VanDerWaalsContact O-N 3.15Å; R141-D232 CarbonylContact C-O 3.56Å; R141-D232 PolarHBondContact N-O 3.46Å; R141-F233 WeakPolarHBondContact CB-O 3.23Å; R141-N235 WeakPolarHBondContact CD-OD1 3.36Å; R141-N235 PolarHBondContact NE-OD1 3.3Å; R141-N235 VanDerWaalsContact NE-OD1 3.14Å; R141-N235 PolarHBondContact NH1-OD1 2.83Å; R141-E290 IonicContact CZ-OE2 3.15Å; R141-E290 IonicContact NH1-OE2 2.72Å; R141-E290 PolarHBondContact NH1-OE2 3.17Å |
| 142 | I | 91.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -57.2 | 124.1 | 172.1 | -54.4 | -47.2 | 0 | 0 | 0 | 109.2 | G144 L145 G146 L148 I155 D232 | I142-G144 PolarHBondContact O-N 3.43Å; I142-L145 HydrophobicContact CB-CB 4.41Å; I142-L145 HydrophobicContact CG2-CB 4.4Å; I142-L145 HydrophobicContact CG2-CD1 4.25Å; I142-L145 PolarHBondContact O-N 2.94Å; I142-G146 PolarHBondContact N-O 3.45Å; I142-G146 PolarHBondContact O-N 3Å; I142-L148 HydrophobicContact CB-CD1 3.94Å; I142-L148 HydrophobicContact CB-CG 4.2Å; I142-L148 HydrophobicContact CG1-CB 3.87Å; I142-L148 HydrophobicContact CG1-CD1 3.93Å; I142-L148 HydrophobicContact CG1-CG 3.98Å; I142-L148 HydrophobicContact CG2-CD1 4Å; I142-I155 HydrophobicContact CD1-CG1 3.96Å; I142-I155 HydrophobicContact CG2-CD1 4.1Å; I142-I155 HydrophobicContact CG2-CG1 4.04Å; I142-D232 WeakPolarHBondContact CA-OD2 3.36Å; I142-D232 HydrophobicContact CD1-CB 3.73Å |
| 143 | L | 81.9 | Confident | 94.8 | Very high | 59 Ų | 59 | 17 Ų | 17 | 31% | 0.309 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | 112.8 | -166.9 | -172.3 | 66.5 | 0 | 0 | 0 | 113.7 | R141 L145 D232 N396 | R141-L143 PolarHBondContact O-N 3.04Å; R141-L143 VanDerWaalsContact O-N 3.15Å; L143-L145 PolarHBondContact O-N 3.31Å; L143-D232 PolarHBondContact N-OD1 3.06Å; L143-N396 HydrophobicContact CD1-CB 4.38Å; L143-N396 HydrophobicContact CD2-CB 3.59Å; L143-N396 HydrophobicContact CG-CB 3.82Å |
| 144 | G | 77.4 | Confident | 94.6 | Very high | 43 Ų | 43 | 17 Ų | 17 | 44% | 0.443 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | -0.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I142 | I142-G144 PolarHBondContact O-N 3.43Š|
| 145 | L | 86.8 | Confident | 94.4 | Very high | 73 Ų | 73 | 17.1 Ų | 17.1 | 38% | 0.382 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | -19.9 | -179.1 | -61 | 176.4 | 0 | 0 | 0 | 113.2 | G93 T97 I142 L143 L148 | G93-L145 VanDerWaalsContact C-CD1 3.43Å; G93-L145 VanDerWaalsContact CA-CD1 3.4Å; G93-L145 VanDerWaalsContact O-CD1 3.27Å; G93-L145 WeakPolarHBondContact O-CD1 3.12Å; T97-L145 HydrophobicContact CG2-CD1 4.08Å; I142-L145 HydrophobicContact CB-CB 4.41Å; I142-L145 HydrophobicContact CG2-CB 4.4Å; I142-L145 HydrophobicContact CG2-CD1 4.25Å; I142-L145 PolarHBondContact O-N 2.94Å; L143-L145 PolarHBondContact O-N 3.31Å; L145-L148 HydrophobicContact CB-CD1 4.08Å; L145-L148 HydrophobicContact CB-CG 4.5Å; L145-L148 HydrophobicContact CD1-CD1 4.09Å |
| 146 | G | 91.6 | Very high | 94.4 | Very high | 29 Ų | 29 | 17.1 Ų | 17.1 | 30% | 0.299 | 10% | 0.102 | S | C | . | . | B | Isolated β-bridge | trans | 80.3 | -146.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E140 I142 L148 | E140-G146 CarbonylContact O-C 3.55Å; I142-G146 PolarHBondContact N-O 3.45Å; I142-G146 PolarHBondContact O-N 3Å; G146-L148 PolarHBondContact O-N 3.07Å |
| 147 | D | 96.9 | Very high | 94.3 | Very high | 25 Ų | 25 | 17.6 Ų | 17.6 | 13% | 0.134 | 10% | 0.104 | C | C | . | . | trans | -73.7 | 112.4 | -175 | -172.1 | -13.2 | 0 | 0 | 0 | 111.1 | G139 E140 G149 T183 D184 N185 R201 | G139-D147 WeakPolarHBondContact O-CA 3.45Å; E140-D147 VanDerWaalsContact O-CA 3.24Å; E140-D147 WeakPolarHBondContact O-CA 3.44Å; E140-D147 PolarHBondContact O-N 3.27Å; D147-G149 PolarHBondContact OD1-N 2.86Å; D147-T183 PolarHBondContact OD1-OG1 3.33Å; D147-T183 PolarHBondContact OD2-OG1 2.89Å; D147-D184 PolarHBondContact OD2-N 3.32Å; D147-N185 HydrophobicContact CB-CB 4.41Å; D147-N185 WeakPolarHBondContact O-CB 3.49Å; D147-N185 PolarHBondContact O-ND2 2.98Å; D147-R201 IonicContact OD1-CZ 2.67Å; D147-R201 IonicContact OD1-NE 2.67Å; D147-R201 PolarHBondContact OD1-NE 2.91Å; D147-R201 IonicContact OD1-NH2 3.69Å; D147-R201 PolarHBondContact OD1-NH2 3.24Å; D147-R201 IonicContact OD2-CZ 3.95Å; D147-R201 IonicContact OD2-NE 3.1Å; D147-R201 PolarHBondContact OD2-NE 3.25Å; D147-R201 IonicContact OD2-NH2 3.41Å | ||
| 148 | L | 97.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 17.7 Ų | 17.7 | 5% | 0.052 | 11% | 0.105 | C | C | . | . | trans | -114 | 6.3 | 172.8 | -59.7 | -176.8 | 0 | 0 | 0 | 112.4 | C96 T97 G139 I142 L145 G146 C150 Y151 L188 | C96-L148 HydrophobicContact CB-CD1 3.43Å; C96-L148 VanDerWaalsContact CB-CD1 3.43Å; T97-L148 HydrophobicContact CG2-CD1 4.12Å; T97-L148 HydrophobicContact CG2-CD2 4.33Å; G139-L148 PolarHBondContact O-N 3.01Å; I142-L148 HydrophobicContact CB-CD1 3.94Å; I142-L148 HydrophobicContact CB-CG 4.2Å; I142-L148 HydrophobicContact CG1-CB 3.87Å; I142-L148 HydrophobicContact CG1-CD1 3.93Å; I142-L148 HydrophobicContact CG1-CG 3.98Å; I142-L148 HydrophobicContact CG2-CD1 4Å; L145-L148 HydrophobicContact CB-CD1 4.08Å; L145-L148 HydrophobicContact CB-CG 4.5Å; L145-L148 HydrophobicContact CD1-CD1 4.09Å; G146-L148 PolarHBondContact O-N 3.07Å; L148-C150 PolarHBondContact O-N 2.73Å; L148-Y151 VanDerWaalsContact O-CB 3.28Å; L148-Y151 WeakPolarHBondContact O-CB 3.43Å; L148-Y151 PolarHBondContact O-N 3Å; L148-L188 WeakPolarHBondContact O-CD1 3.38Å | ||
| 149 | G | 97.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | 49.1 | -133.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G139 D147 Y151 G152 | G139-G149 PolarHBondContact O-N 3.34Å; D147-G149 PolarHBondContact OD1-N 2.86Å; G149-Y151 PolarHBondContact O-N 3.04Å; G149-Y151 VanDerWaalsContact O-N 3.14Å; G149-G152 PolarHBondContact O-N 2.9Å |
| 150 | C | 97.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 18.1 Ų | 18.1 | 3% | 0.034 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -60.2 | -23.5 | 179.6 | -177.1 | 0 | 0 | 0 | 0 | 113.9 | F110 L148 G152 M153 Y194 | F110-C150 VanDerWaalsContact CD1-SG 3.52Å; L148-C150 PolarHBondContact O-N 2.73Å; C150-G152 PolarHBondContact O-N 3.46Å; C150-G152 VanDerWaalsContact O-N 3.15Å; C150-M153 PolarHBondContact O-N 3.46Å; C150-Y194 HydrophobicContact CB-CE2 4.28Å; C150-Y194 PolarHBondContact N-OH 3.18Å; C150-Y194 VanDerWaalsContact N-OH 3.08Å |
| 151 | Y | 97.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -66.3 | -14.3 | 175.3 | -70.6 | -4.3 | 0 | 0 | 0 | 113.3 | C96 Y99 G100 L148 G149 M153 L188 D191 F193 Y194 M195 | C96-Y151 VanDerWaalsContact O-CB 3.28Å; C96-Y151 WeakPolarHBondContact O-CB 3.35Å; C96-Y151 VanDerWaalsContact O-CD2 3.31Å; C96-Y151 WeakPolarHBondContact O-CD2 3.5Å; Y99-Y151 HydrophobicContact CD1-CD1 4.14Å; Y99-Y151 HydrophobicContact CG-CD1 4.48Å; G100-Y151 WeakPolarHBondContact CA-OH 3.4Å; G100-Y151 VanDerWaalsContact N-CE1 3.29Å; L148-Y151 VanDerWaalsContact O-CB 3.28Å; L148-Y151 WeakPolarHBondContact O-CB 3.43Å; L148-Y151 PolarHBondContact O-N 3Å; G149-Y151 PolarHBondContact O-N 3.04Å; G149-Y151 VanDerWaalsContact O-N 3.14Å; Y151-M153 PolarHBondContact O-N 3.06Å; Y151-M153 VanDerWaalsContact O-N 3.15Å; Y151-L188 HydrophobicContact CD2-CD2 3.83Å; Y151-L188 HydrophobicContact CE2-CD2 3.62Å; Y151-D191 PolarHBondContact OH-OD2 2.92Å; Y151-F193 PolarHBondContact OH-O 3.24Å; Y151-Y194 HydrophobicContact CD1-CD2 4.08Å; Y151-Y194 HydrophobicContact CD1-CE2 4.2Å; Y151-Y194 AromaticContact CE1-CD2 3.8Å; Y151-Y194 HydrophobicContact CE1-CD2 3.8Å; Y151-Y194 HydrophobicContact CE1-CE2 4.38Å; Y151-Y194 HydrophobicContact CE2-CD2 4.33Å; Y151-Y194 HydrophobicContact CG-CD2 4.48Å; Y151-Y194 HydrophobicContact CG-CE2 4.48Å; Y151-Y194 AromaticContact CZ-CD2 3.93Å; Y151-Y194 WeakPolarHBondContact OH-CA 3.41Å; Y151-M195 HydrophobicContact CD1-CE 4.07Å; Y151-M195 HydrophobicContact CE1-CB 4.24Å; Y151-M195 HydrophobicContact CE1-CE 3.92Å; Y151-M195 HydrophobicContact CE1-CG 4.16Å |
| 152 | G | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -61.8 | -12.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G149 C150 A154 I155 P156 | G149-G152 PolarHBondContact O-N 2.9Å; C150-G152 PolarHBondContact O-N 3.46Å; C150-G152 VanDerWaalsContact O-N 3.15Å; G152-A154 PolarHBondContact O-N 2.99Å; G152-I155 WeakPolarHBondContact O-CB 3.17Å; G152-I155 PolarHBondContact O-N 3.37Å; G152-P156 VanDerWaalsContact O-CD 3.26Å; G152-P156 WeakPolarHBondContact O-CD 3.3Å |
| 153 | M | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -52.5 | -30.6 | -179.6 | 174.3 | 56.8 | 82.2 | 0 | 0 | 114.2 | Y99 K107 L109 F110 C150 Y151 I155 P156 V157 P176 V178 | Y99-M153 HydrophobicContact CE1-CB 3.92Å; Y99-M153 HydrophobicContact CE1-CG 4.32Å; Y99-M153 VanDerWaalsContact OH-CG 3.28Å; Y99-M153 WeakPolarHBondContact OH-CG 3.25Å; K107-M153 VanDerWaalsContact O-SD 3.4Å; L109-M153 WeakPolarHBondContact O-CE 3.44Å; F110-M153 HydrophobicContact CD1-CE 4.03Å; F110-M153 HydrophobicContact CD2-CE 4.17Å; F110-M153 HydrophobicContact CE1-CB 3.93Å; F110-M153 HydrophobicContact CE1-CE 3.81Å; F110-M153 HydrophobicContact CE1-CG 3.97Å; F110-M153 HydrophobicContact CE2-CE 3.95Å; F110-M153 HydrophobicContact CG-CE 4.2Å; F110-M153 HydrophobicContact CZ-CB 4.22Å; F110-M153 HydrophobicContact CZ-CE 3.77Å; F110-M153 HydrophobicContact CZ-CG 3.76Å; C150-M153 PolarHBondContact O-N 3.46Å; Y151-M153 PolarHBondContact O-N 3.06Å; Y151-M153 VanDerWaalsContact O-N 3.15Å; M153-I155 PolarHBondContact O-N 3.33Å; M153-P156 WeakPolarHBondContact O-CD 3.41Å; M153-V157 HydrophobicContact CG-CG2 4.37Å; M153-V157 WeakPolarHBondContact O-CG2 3.09Å; M153-V157 PolarHBondContact O-N 2.85Å; M153-V157 HydrophobicContact SD-CG2 4.16Å; M153-P176 HydrophobicContact SD-CB 4.08Å; M153-V178 HydrophobicContact CB-CB 4.36Å; M153-V178 HydrophobicContact CB-CG1 4.46Å; M153-V178 HydrophobicContact CE-CB 3.82Å; M153-V178 HydrophobicContact CE-CG1 3.67Å |
| 154 | A | 94.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62 | -24.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V92 Y99 G152 G158 | V92-A154 HydrophobicContact CG2-CB 3.85Å; V92-A154 WeakPolarHBondContact CG2-O 3.44Å; Y99-A154 HydrophobicContact CD2-CB 3.9Å; Y99-A154 HydrophobicContact CE2-CB 3.73Å; G152-A154 PolarHBondContact O-N 2.99Å; A154-G158 PolarHBondContact O-N 3.29Å |
| 155 | I | 96.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 8.3 Ų | 8.3 | 2% | 0.021 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -68.1 | -56.6 | 178.3 | -60.5 | -57.5 | 0 | 0 | 0 | 111.7 | Y88 V92 I142 G152 M153 V157 G158 K159 E231 D232 | Y88-I155 HydrophobicContact CE2-CG2 4.43Å; V92-I155 HydrophobicContact CB-CD1 4.39Å; V92-I155 HydrophobicContact CG1-CD1 3.59Å; V92-I155 HydrophobicContact CG2-CD1 3.96Å; I142-I155 HydrophobicContact CD1-CG1 3.96Å; I142-I155 HydrophobicContact CG2-CD1 4.1Å; I142-I155 HydrophobicContact CG2-CG1 4.04Å; G152-I155 WeakPolarHBondContact O-CB 3.17Å; G152-I155 PolarHBondContact O-N 3.37Å; M153-I155 PolarHBondContact O-N 3.33Å; I155-V157 VanDerWaalsContact C-N 3.26Å; I155-V157 PolarHBondContact O-N 3.03Å; I155-G158 PolarHBondContact O-N 2.89Å; I155-K159 PolarHBondContact O-N 3.07Å; I155-E231 HydrophobicContact CG2-CG 3.55Å; I155-D232 WeakPolarHBondContact CG2-OD2 3.47Å |
| 156 | P | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -51.6 | -42.6 | 171.3 | -31.1 | 33.6 | 0 | 0 | 0 | 114.1 | V135 T137 G152 M153 K159 L160 P176 V177 | V135-P156 HydrophobicContact CB-CB 4.16Å; V135-P156 HydrophobicContact CG1-CB 3.98Å; V135-P156 HydrophobicContact CG1-CG 4.3Å; V135-P156 WeakPolarHBondContact O-CB 3.34Å; T137-P156 HydrophobicContact CG2-CG 3.57Å; G152-P156 VanDerWaalsContact O-CD 3.26Å; G152-P156 WeakPolarHBondContact O-CD 3.3Å; M153-P156 WeakPolarHBondContact O-CD 3.41Å; P156-K159 PolarHBondContact O-N 3.1Å; P156-L160 WeakPolarHBondContact O-CB 3.46Å; P156-L160 WeakPolarHBondContact O-CG 3.48Å; P156-L160 PolarHBondContact O-N 3.02Å; P156-P176 HydrophobicContact CB-CB 3.6Å; P156-V177 WeakPolarHBondContact CG-O 3.35Å |
| 157 | V | 96.9 | Very high | 97.4 | Very high | 9 Ų | 9 | 3.4 Ų | 3.4 | 6% | 0.055 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -61.4 | -49.6 | 178.1 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | M62 K107 M153 I155 L160 C161 P176 | M62-V157 HydrophobicContact SD-CG1 4.4Å; K107-V157 HydrophobicContact CB-CG2 3.96Å; K107-V157 HydrophobicContact CD-CG1 4.22Å; M153-V157 HydrophobicContact CG-CG2 4.37Å; M153-V157 WeakPolarHBondContact O-CG2 3.09Å; M153-V157 PolarHBondContact O-N 2.85Å; M153-V157 HydrophobicContact SD-CG2 4.16Å; I155-V157 VanDerWaalsContact C-N 3.26Å; I155-V157 PolarHBondContact O-N 3.03Å; V157-L160 PolarHBondContact O-N 2.96Å; V157-C161 PolarHBondContact O-N 3.48Å; V157-C161 PolarHBondContact O-SG 3.08Å; V157-P176 HydrophobicContact CG2-CB 3.9Å; V157-P176 HydrophobicContact CG2-CG 3.93Å |
| 158 | G | 96.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 2.3 Ų | 2.3 | 2% | 0.021 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | A154 I155 L160 C161 L162 | A154-G158 PolarHBondContact O-N 3.29Å; I155-G158 PolarHBondContact O-N 2.89Å; G158-L160 PolarHBondContact O-N 3.11Å; G158-C161 WeakPolarHBondContact O-CB 3.48Å; G158-C161 PolarHBondContact O-N 2.99Å; G158-L162 PolarHBondContact O-N 2.98Å |
| 159 | K | 97.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 2.1 Ų | 2.1 | 1% | 0.009 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -56.3 | -48.2 | 174.7 | -83.2 | -66.4 | -154.4 | -160.6 | 0 | 112 | Y88 V135 I155 P156 C161 L162 Y163 E231 D254 F446 | Y88-K159 HydrophobicContact CE1-CD 4.35Å; Y88-K159 HydrophobicContact CE2-CD 3.94Å; Y88-K159 HydrophobicContact CE2-CG 3.8Å; Y88-K159 WeakPolarHBondContact OH-CE 3.34Å; Y88-K159 PolarHBondContact OH-NZ 3.23Å; V135-K159 HydrophobicContact CG1-CB 4.15Å; V135-K159 HydrophobicContact CG1-CG 4.39Å; V135-K159 HydrophobicContact CG2-CB 4.23Å; I155-K159 PolarHBondContact O-N 3.07Å; P156-K159 PolarHBondContact O-N 3.1Å; K159-C161 VanDerWaalsContact C-N 3.28Å; K159-C161 PolarHBondContact O-N 3.11Å; K159-L162 CarbonylContact O-C 3.57Å; K159-L162 WeakPolarHBondContact O-CA 3.31Å; K159-L162 WeakPolarHBondContact O-CB 3.43Å; K159-L162 PolarHBondContact O-N 3.34Å; K159-Y163 VanDerWaalsContact O-CD2 3.31Å; K159-Y163 WeakPolarHBondContact O-CD2 3.19Å; K159-Y163 PolarHBondContact O-N 3.47Å; K159-E231 WeakPolarHBondContact CE-OE1 3.34Å; K159-E231 WeakPolarHBondContact CE-OE2 3.22Å; K159-E231 IonicContact NZ-OE1 3.47Å; K159-E231 PolarHBondContact NZ-OE1 3.36Å; K159-E231 VanDerWaalsContact NZ-OE1 3.1Å; K159-E231 IonicContact NZ-OE2 2.77Å; K159-D254 IonicContact NZ-OD2 2.75Å; K159-D254 PolarHBondContact NZ-OD2 3.05Å; K159-F446 HydrophobicContact CD-CD1 4.25Å; K159-F446 HydrophobicContact CD-CE1 3.73Å; K159-F446 HydrophobicContact CD-CE2 4.15Å; K159-F446 HydrophobicContact CD-CZ 3.69Å |
| 160 | L | 98.2 | Very high | 97.4 | Very high | 9 Ų | 9 | 6.4 Ų | 6.4 | 5% | 0.047 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -69.3 | -26 | -178.9 | -69.8 | 170.6 | 0 | 0 | 0 | 112.9 | A133 V135 P156 V157 G158 L162 Y163 T164 C174 P176 | A133-L160 HydrophobicContact CB-CD2 4.29Å; V135-L160 HydrophobicContact CB-CD1 4.28Å; V135-L160 HydrophobicContact CB-CD2 4.35Å; V135-L160 HydrophobicContact CB-CG 4.11Å; V135-L160 HydrophobicContact CG2-CD1 4.34Å; V135-L160 HydrophobicContact CG2-CD2 3.53Å; V135-L160 HydrophobicContact CG2-CG 3.72Å; P156-L160 WeakPolarHBondContact O-CB 3.46Å; P156-L160 WeakPolarHBondContact O-CG 3.48Å; P156-L160 PolarHBondContact O-N 3.02Å; V157-L160 PolarHBondContact O-N 2.96Å; G158-L160 PolarHBondContact O-N 3.11Å; L160-L162 VanDerWaalsContact C-N 3.31Å; L160-Y163 HydrophobicContact CD2-CD1 4.09Å; L160-Y163 HydrophobicContact CD2-CD2 4.48Å; L160-Y163 HydrophobicContact CD2-CG 4.13Å; L160-Y163 WeakPolarHBondContact O-CB 3.49Å; L160-Y163 PolarHBondContact O-N 2.96Å; L160-T164 PolarHBondContact O-N 2.96Å; L160-T164 PolarHBondContact O-OG1 3.16Å; L160-C174 HydrophobicContact CB-CB 4.13Å; L160-C174 HydrophobicContact CD1-CB 4.01Å; L160-C174 HydrophobicContact CD2-CB 3.78Å; L160-C174 HydrophobicContact CG-CB 4.18Å; L160-P176 HydrophobicContact CD1-CB 3.8Å; L160-P176 HydrophobicContact CD1-CG 3.93Å; L160-P176 VanDerWaalsContact CD1-N 3.26Å |
| 161 | C | 97.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 6.7 Ų | 6.7 | 1% | 0.007 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 167.4 | -64.4 | 0 | 0 | 0 | 0 | 111 | Q65 F72 V157 G158 K159 T164 A165 | Q65-C161 PolarHBondContact NE2-SG 3.46Å; F72-C161 HydrophobicContact CE1-CB 4.35Å; F72-C161 HydrophobicContact CZ-CB 4.35Å; V157-C161 PolarHBondContact O-N 3.48Å; V157-C161 PolarHBondContact O-SG 3.08Å; G158-C161 WeakPolarHBondContact O-CB 3.48Å; G158-C161 PolarHBondContact O-N 2.99Å; K159-C161 VanDerWaalsContact C-N 3.28Å; K159-C161 PolarHBondContact O-N 3.11Å; C161-T164 PolarHBondContact O-N 2.83Å; C161-A165 WeakPolarHBondContact O-CB 3.3Å; C161-A165 PolarHBondContact O-N 2.91Å |
| 162 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -74.2 | -32.6 | 178 | -60.3 | -176.6 | 0 | 0 | 0 | 113 | M84 V87 Y88 G158 K159 L160 T164 A165 C166 V443 F446 | M84-L162 HydrophobicContact CG-CD1 4.33Å; M84-L162 HydrophobicContact CG-CD2 3.82Å; M84-L162 HydrophobicContact SD-CD2 4.46Å; V87-L162 HydrophobicContact CG2-CD2 4.14Å; Y88-L162 HydrophobicContact CD1-CD1 3.53Å; Y88-L162 HydrophobicContact CD2-CD1 4.42Å; Y88-L162 HydrophobicContact CE1-CD1 4.33Å; Y88-L162 HydrophobicContact CG-CD1 3.6Å; G158-L162 PolarHBondContact O-N 2.98Å; K159-L162 CarbonylContact O-C 3.57Å; K159-L162 WeakPolarHBondContact O-CA 3.31Å; K159-L162 WeakPolarHBondContact O-CB 3.43Å; K159-L162 PolarHBondContact O-N 3.34Å; L160-L162 VanDerWaalsContact C-N 3.31Å; L162-T164 PolarHBondContact O-N 2.96Å; L162-A165 PolarHBondContact O-N 3.19Å; L162-C166 WeakPolarHBondContact O-CA 3.31Å; L162-C166 WeakPolarHBondContact O-CB 3.32Å; L162-C166 PolarHBondContact O-N 3.45Å; L162-C166 PolarHBondContact O-SG 2.98Å; L162-V443 HydrophobicContact CB-CG2 4.3Å; L162-V443 HydrophobicContact CD1-CG2 3.94Å; L162-F446 HydrophobicContact CB-CE2 3.87Å; L162-F446 HydrophobicContact CB-CZ 3.72Å; L162-F446 HydrophobicContact CD1-CZ 3.95Å; L162-F446 HydrophobicContact CG-CZ 4.5Å |
| 163 | Y | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 0% | 0.004 | 6% | 0.057 | C | C | . | . | I | π-helix | trans | -51.7 | -45.3 | 167.7 | -90.7 | -129.2 | 0 | 0 | 0 | 111.2 | A133 V135 K159 L160 A167 G168 I169 L227 Q229 F446 A450 | A133-Y163 HydrophobicContact CB-CD1 4.11Å; A133-Y163 HydrophobicContact CB-CE1 3.99Å; V135-Y163 HydrophobicContact CG2-CE2 4.36Å; K159-Y163 VanDerWaalsContact O-CD2 3.31Å; K159-Y163 WeakPolarHBondContact O-CD2 3.19Å; K159-Y163 PolarHBondContact O-N 3.47Å; L160-Y163 HydrophobicContact CD2-CD1 4.09Å; L160-Y163 HydrophobicContact CD2-CD2 4.48Å; L160-Y163 HydrophobicContact CD2-CG 4.13Å; L160-Y163 WeakPolarHBondContact O-CB 3.49Å; L160-Y163 PolarHBondContact O-N 2.96Å; Y163-A167 WeakPolarHBondContact O-CB 3.43Å; Y163-A167 PolarHBondContact O-N 2.92Å; Y163-A167 VanDerWaalsContact O-N 3.11Å; Y163-G168 PolarHBondContact O-N 3.02Å; Y163-I169 HydrophobicContact CD1-CD1 3.29Å; Y163-I169 HydrophobicContact CD1-CG1 4.48Å; Y163-I169 HydrophobicContact CE1-CD1 3.92Å; Y163-I169 HydrophobicContact CG-CD1 3.98Å; Y163-I169 PolarHBondContact O-N 3.32Å; Y163-L227 HydrophobicContact CE1-CD2 4Å; Y163-Q229 VanDerWaalsContact CZ-OE1 3.28Å; Y163-Q229 PolarHBondContact OH-OE1 2.97Å; Y163-F446 AromaticContact CD2-CD2 3.4Å; Y163-F446 HydrophobicContact CD2-CD2 3.4Å; Y163-F446 AromaticContact CD2-CE2 3.5Å; Y163-F446 HydrophobicContact CD2-CE2 3.5Å; Y163-F446 VanDerWaalsContact CD2-CE2 3.5Å; Y163-F446 HydrophobicContact CE2-CB 4.39Å; Y163-F446 AromaticContact CE2-CD2 3.17Å; Y163-F446 HydrophobicContact CE2-CD2 3.17Å; Y163-F446 AromaticContact CE2-CE2 3.73Å; Y163-F446 HydrophobicContact CE2-CE2 3.73Å; Y163-F446 HydrophobicContact CE2-CG 4.08Å; Y163-A450 HydrophobicContact CD1-CB 3.93Å; Y163-A450 HydrophobicContact CE1-CB 3.21Å |
| 164 | T | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -74.6 | -52.8 | 179.1 | -52.7 | 0 | 0 | 0 | 0 | 112.1 | Y73 L160 C161 L162 C166 G168 I169 P171 R495 F533 | Y73-T164 HydrophobicContact CD1-CG2 3.7Å; Y73-T164 HydrophobicContact CD2-CG2 3.99Å; Y73-T164 HydrophobicContact CE1-CG2 3.5Å; Y73-T164 HydrophobicContact CE2-CG2 3.79Å; Y73-T164 HydrophobicContact CG-CG2 3.95Å; Y73-T164 PolarHBondContact OH-OG1 2.83Å; L160-T164 PolarHBondContact O-N 2.96Å; L160-T164 PolarHBondContact O-OG1 3.16Å; C161-T164 PolarHBondContact O-N 2.83Å; L162-T164 PolarHBondContact O-N 2.96Å; T164-C166 PolarHBondContact O-N 2.93Å; T164-G168 WeakPolarHBondContact O-CA 3.4Å; T164-G168 PolarHBondContact O-N 2.99Å; T164-I169 VanDerWaalsContact CA-O 3.3Å; T164-I169 WeakPolarHBondContact CA-O 3.35Å; T164-I169 WeakPolarHBondContact CB-O 3.22Å; T164-I169 WeakPolarHBondContact CG2-O 3.37Å; T164-I169 PolarHBondContact OG1-O 3.3Å; T164-P171 HydrophobicContact CG2-CG 3.62Å; T164-R495 PolarHBondContact O-NH1 2.94Å; T164-F533 HydrophobicContact CG2-CB 4.42Å; T164-F533 HydrophobicContact CG2-CD1 3.56Å; T164-F533 HydrophobicContact CG2-CE1 3.91Å; T164-F533 HydrophobicContact CG2-CG 4.06Å |
| 165 | A | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 13 Ų | 13 | 2% | 0.017 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -64.3 | -42.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y73 L76 M77 I80 C161 L162 R495 | Y73-A165 HydrophobicContact CD1-CB 4.4Å; L76-A165 HydrophobicContact CD2-CB 3.79Å; L76-A165 HydrophobicContact CG-CB 4.16Å; M77-A165 HydrophobicContact CG-CB 4.15Å; I80-A165 HydrophobicContact CD1-CB 4.19Å; C161-A165 WeakPolarHBondContact O-CB 3.3Å; C161-A165 PolarHBondContact O-N 2.91Å; L162-A165 PolarHBondContact O-N 3.19Å; A165-R495 PolarHBondContact O-NH1 3.48Å |
| 166 | C | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -87 | -45.1 | -175.5 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | L162 T164 V443 P447 I494 R495 S498 | L162-C166 WeakPolarHBondContact O-CA 3.31Å; L162-C166 WeakPolarHBondContact O-CB 3.32Å; L162-C166 PolarHBondContact O-N 3.45Å; L162-C166 PolarHBondContact O-SG 2.98Å; T164-C166 PolarHBondContact O-N 2.93Å; C166-V443 VanDerWaalsContact SG-CG2 3.58Å; C166-P447 HydrophobicContact CB-CB 3.76Å; C166-P447 HydrophobicContact CB-CG 3.67Å; C166-I494 HydrophobicContact CB-CG1 4.12Å; C166-R495 WeakPolarHBondContact O-CA 3.43Å; C166-R495 WeakPolarHBondContact O-CG 3.39Å; C166-S498 VanDerWaalsContact O-CB 3.25Å; C166-S498 WeakPolarHBondContact O-CB 3.38Å; C166-S498 PolarHBondContact O-OG 2.9Å |
| 167 | A | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -101.9 | -20.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y163 I169 P447 M451 L499 | Y163-A167 WeakPolarHBondContact O-CB 3.43Å; Y163-A167 PolarHBondContact O-N 2.92Å; Y163-A167 VanDerWaalsContact O-N 3.11Å; A167-I169 HydrophobicContact CB-CD1 4.44Å; A167-I169 HydrophobicContact CB-CG1 4.29Å; A167-P447 VanDerWaalsContact CB-C 3.47Å; A167-P447 HydrophobicContact CB-CB 3.55Å; A167-P447 WeakPolarHBondContact CB-O 3.5Å; A167-M451 HydrophobicContact CB-CB 3.94Å; A167-M451 WeakPolarHBondContact O-CE 3.28Å; A167-L499 WeakPolarHBondContact O-CD2 3.5Å |
| 168 | G | 98 | Very high | 97.7 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | trans | 81.2 | 25.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y163 T164 R170 M451 A532 F533 | Y163-G168 PolarHBondContact O-N 3.02Å; T164-G168 WeakPolarHBondContact O-CA 3.4Å; T164-G168 PolarHBondContact O-N 2.99Å; G168-R170 PolarHBondContact O-N 3.43Å; G168-M451 WeakPolarHBondContact O-CE 3.28Å; G168-A532 CarbonylContact O-C 3.48Å; G168-A532 WeakPolarHBondContact O-CA 3.35Å; G168-F533 WeakPolarHBondContact O-CB 3.45Å; G168-F533 PolarHBondContact O-N 2.95Å | ||
| 169 | I | 98.4 | Very high | 97.8 | Very high | 6 Ų | 6 | 12.8 Ų | 12.8 | 3% | 0.031 | 6% | 0.059 | C | C | . | . | trans | -64.8 | 134.6 | 167.5 | -63.9 | 167.3 | 0 | 0 | 0 | 107.7 | Y163 T164 A167 A450 M451 I454 | Y163-I169 HydrophobicContact CD1-CD1 3.29Å; Y163-I169 HydrophobicContact CD1-CG1 4.48Å; Y163-I169 HydrophobicContact CE1-CD1 3.92Å; Y163-I169 HydrophobicContact CG-CD1 3.98Å; Y163-I169 PolarHBondContact O-N 3.32Å; T164-I169 VanDerWaalsContact CA-O 3.3Å; T164-I169 WeakPolarHBondContact CA-O 3.35Å; T164-I169 WeakPolarHBondContact CB-O 3.22Å; T164-I169 WeakPolarHBondContact CG2-O 3.37Å; T164-I169 PolarHBondContact OG1-O 3.3Å; A167-I169 HydrophobicContact CB-CD1 4.44Å; A167-I169 HydrophobicContact CB-CG1 4.29Å; I169-A450 HydrophobicContact CD1-CB 3.61Å; I169-M451 HydrophobicContact CD1-CB 4.35Å; I169-M451 HydrophobicContact CG1-CB 4.25Å; I169-M451 HydrophobicContact CG1-CE 4.28Å; I169-M451 HydrophobicContact CG1-SD 4.08Å; I169-I454 HydrophobicContact CD1-CD1 3.96Å; I169-I454 HydrophobicContact CG1-CD1 4.41Å; I169-I454 HydrophobicContact CG2-CD1 4.25Å | ||
| 170 | R | 97 | Very high | 97.8 | Very high | 91 Ų | 91 | 13.3 Ų | 13.3 | 34% | 0.343 | 6% | 0.062 | S | C | . | . | trans | -65.4 | 124.6 | -175.9 | -83.8 | 173.1 | -180 | -91 | -0.6 | 111.3 | G168 E172 K173 C174 F533 | G168-R170 PolarHBondContact O-N 3.43Å; R170-E172 HydrophobicContact CB-CG 4.39Å; R170-E172 WeakPolarHBondContact CB-OE2 3.27Å; R170-E172 WeakPolarHBondContact CD-OE1 3.21Å; R170-E172 IonicContact NH1-OE1 2.74Å; R170-E172 PolarHBondContact NH1-OE1 2.89Å; R170-E172 VanDerWaalsContact NH1-OE1 3.09Å; R170-E172 PolarHBondContact O-N 2.93Å; R170-K173 HydrophobicContact CB-CB 4.38Å; R170-K173 HydrophobicContact CB-CD 4.33Å; R170-K173 HydrophobicContact CB-CG 3.97Å; R170-K173 WeakPolarHBondContact O-CB 3.46Å; R170-K173 PolarHBondContact O-N 2.89Å; R170-C174 PolarHBondContact O-SG 3.5Å; R170-F533 HydrophobicContact CG-CB 4.37Å; R170-F533 HydrophobicContact CG-CD2 4.47Å | ||
| 171 | P | 95.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 12.9 Ų | 12.9 | 7% | 0.071 | 6% | 0.06 | C | C | . | . | G | 310 helix | trans | -55.1 | -38.1 | -179.5 | -27 | 34.8 | 0 | 0 | 0 | 113.8 | E69 Y73 T164 K173 C174 F533 | E69-P171 HydrophobicContact CG-CB 4.4Å; E69-P171 HydrophobicContact CG-CG 4.38Å; E69-P171 VanDerWaalsContact OE1-CB 3.31Å; E69-P171 WeakPolarHBondContact OE1-CB 3.5Å; E69-P171 VanDerWaalsContact OE2-CB 3.31Å; E69-P171 WeakPolarHBondContact OE2-CB 3.33Å; Y73-P171 HydrophobicContact CD2-CG 4.05Å; Y73-P171 HydrophobicContact CE2-CB 4.02Å; Y73-P171 HydrophobicContact CE2-CG 3.3Å; T164-P171 HydrophobicContact CG2-CG 3.62Å; P171-K173 PolarHBondContact O-N 2.99Å; P171-K173 VanDerWaalsContact O-N 3.09Å; P171-C174 VanDerWaalsContact O-CB 3.31Å; P171-C174 WeakPolarHBondContact O-CB 3.39Å; P171-C174 PolarHBondContact O-N 3.45Å; P171-F533 HydrophobicContact CG-CD2 4.32Å; P171-F533 HydrophobicContact CG-CE1 4.49Å; P171-F533 HydrophobicContact CG-CE2 3.99Å; P171-F533 HydrophobicContact CG-CZ 4.07Å |
| 172 | E | 93.9 | Very high | 97.9 | Very high | 59 Ų | 59 | 12.9 Ų | 12.9 | 28% | 0.276 | 6% | 0.059 | S | C | . | . | G | 310 helix | trans | -64.8 | -14.3 | 179.3 | 67.4 | -87.5 | -160.1 | 0 | 0 | 113.2 | A128 R170 | A128-E172 VanDerWaalsContact CB-O 3.31Å; A128-E172 WeakPolarHBondContact CB-O 3.44Å; R170-E172 HydrophobicContact CB-CG 4.39Å; R170-E172 WeakPolarHBondContact CB-OE2 3.27Å; R170-E172 WeakPolarHBondContact CD-OE1 3.21Å; R170-E172 IonicContact NH1-OE1 2.74Å; R170-E172 PolarHBondContact NH1-OE1 2.89Å; R170-E172 VanDerWaalsContact NH1-OE1 3.09Å; R170-E172 PolarHBondContact O-N 2.93Å |
| 173 | K | 97.1 | Very high | 97.9 | Very high | 64 Ų | 64 | 12.9 Ų | 12.9 | 28% | 0.278 | 6% | 0.059 | S | C | . | . | G | 310 helix | trans | -97.9 | 3.3 | 175.9 | -60.4 | -160.5 | 169.9 | -161.2 | 0 | 113.6 | A132 A133 R170 P171 | A132-K173 HydrophobicContact CB-CB 4.02Å; A132-K173 HydrophobicContact CB-CD 4.03Å; A132-K173 PolarHBondContact N-O 2.95Å; A133-K173 PolarHBondContact N-O 2.93Å; R170-K173 HydrophobicContact CB-CB 4.38Å; R170-K173 HydrophobicContact CB-CD 4.33Å; R170-K173 HydrophobicContact CB-CG 3.97Å; R170-K173 WeakPolarHBondContact O-CB 3.46Å; R170-K173 PolarHBondContact O-N 2.89Å; P171-K173 PolarHBondContact O-N 2.99Å; P171-K173 VanDerWaalsContact O-N 3.09Å |
| 174 | C | 98.2 | Very high | 97.9 | Very high | 10 Ų | 10 | 15.3 Ų | 15.3 | 7% | 0.068 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.9 | -174.7 | -66.9 | 0 | 0 | 0 | 0 | 110.7 | A133 L160 R170 P171 | A133-C174 CarbonylContact O-C 3.58Å; A133-C174 WeakPolarHBondContact O-CA 3.31Å; L160-C174 HydrophobicContact CB-CB 4.13Å; L160-C174 HydrophobicContact CD1-CB 4.01Å; L160-C174 HydrophobicContact CD2-CB 3.78Å; L160-C174 HydrophobicContact CG-CB 4.18Å; R170-C174 PolarHBondContact O-SG 3.5Å; P171-C174 VanDerWaalsContact O-CB 3.31Å; P171-C174 WeakPolarHBondContact O-CB 3.39Å; P171-C174 PolarHBondContact O-N 3.45Å |
| 175 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 106.2 | 179.6 | 172.4 | 56.2 | 0 | 0 | 0 | 110.7 | L109 L123 W126 V131 A133 V134 V135 V177 Y222 | L109-L175 HydrophobicContact CB-CD1 4.48Å; L109-L175 HydrophobicContact CD1-CD1 3.85Å; L109-L175 HydrophobicContact CD1-CD2 4.2Å; L109-L175 HydrophobicContact CG-CD1 3.87Å; L123-L175 HydrophobicContact CD2-CD2 4.23Å; W126-L175 HydrophobicContact CD2-CD1 3.58Å; W126-L175 HydrophobicContact CE3-CD1 3.82Å; W126-L175 HydrophobicContact CG-CD1 4.06Å; W126-L175 HydrophobicContact CH2-CD1 4.18Å; W126-L175 HydrophobicContact CZ2-CD1 3.95Å; W126-L175 HydrophobicContact CZ3-CD1 4.12Å; V131-L175 HydrophobicContact CG1-CB 3.62Å; V131-L175 HydrophobicContact CG1-CD2 4.37Å; V131-L175 HydrophobicContact CG2-CB 4.08Å; V131-L175 HydrophobicContact CG2-CD2 4.4Å; A133-L175 PolarHBondContact O-N 3.48Å; V134-L175 VanDerWaalsContact CA-O 3.31Å; V134-L175 WeakPolarHBondContact CA-O 3.43Å; V134-L175 HydrophobicContact CG2-CB 4.21Å; V134-L175 HydrophobicContact CG2-CD2 4.22Å; V134-L175 HydrophobicContact CG2-CG 4.47Å; V135-L175 PolarHBondContact N-O 2.93Å; V135-L175 VanDerWaalsContact N-O 3.15Å; L175-V177 HydrophobicContact CD1-CG2 4.22Å; L175-V177 HydrophobicContact CD2-CG2 4.27Å; L175-V177 HydrophobicContact CG-CG2 3.81Å; L175-Y222 HydrophobicContact CD2-CE2 3.92Å |
| 176 | P | 98.4 | Very high | 97.9 | Very high | 12 Ų | 12 | 21 Ų | 21 | 8% | 0.078 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 136.3 | 170.6 | 16 | -9.5 | 0 | 0 | 0 | 110.7 | G108 L109 M153 P156 V157 L160 | G108-P176 CarbonylContact C-O 3.42Å; G108-P176 WeakPolarHBondContact CA-O 3.45Å; L109-P176 PolarHBondContact N-O 3.42Å; M153-P176 HydrophobicContact SD-CB 4.08Å; P156-P176 HydrophobicContact CB-CB 3.6Å; V157-P176 HydrophobicContact CG2-CB 3.9Å; V157-P176 HydrophobicContact CG2-CG 3.93Å; L160-P176 HydrophobicContact CD1-CB 3.8Å; L160-P176 HydrophobicContact CD1-CG 3.93Å; L160-P176 VanDerWaalsContact CD1-N 3.26Å |
| 177 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139.3 | -179.9 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | L109 I111 V134 V135 V136 T137 P156 L175 L179 F214 | L109-V177 HydrophobicContact CB-CG2 4.43Å; L109-V177 WeakPolarHBondContact O-CA 3.25Å; I111-V177 HydrophobicContact CD1-CG1 3.93Å; I111-V177 HydrophobicContact CG1-CG1 4.48Å; V134-V177 HydrophobicContact CG1-CG2 3.82Å; V135-V177 PolarHBondContact O-N 3.36Å; V136-V177 WeakPolarHBondContact CA-O 3.4Å; V136-V177 HydrophobicContact CB-CB 4.22Å; V136-V177 HydrophobicContact CG2-CB 4.01Å; V136-V177 HydrophobicContact CG2-CG1 3.97Å; T137-V177 PolarHBondContact N-O 2.94Å; P156-V177 WeakPolarHBondContact CG-O 3.35Å; L175-V177 HydrophobicContact CD1-CG2 4.22Å; L175-V177 HydrophobicContact CD2-CG2 4.27Å; L175-V177 HydrophobicContact CG-CG2 3.81Å; V177-L179 HydrophobicContact CG1-CD2 3.84Å; V177-L179 HydrophobicContact CG1-CG 4.45Å; V177-F214 HydrophobicContact CB-CE2 4.43Å; V177-F214 HydrophobicContact CB-CZ 4.39Å; V177-F214 HydrophobicContact CG1-CE2 3.84Å; V177-F214 HydrophobicContact CG1-CZ 4.17Å; V177-F214 HydrophobicContact CG2-CE2 4.25Å; V177-F214 HydrophobicContact CG2-CZ 4.31Å |
| 178 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 134.4 | 162.7 | 77.1 | 0 | 0 | 0 | 0 | 109.9 | L109 F110 I111 T137 M153 | L109-V178 PolarHBondContact O-N 3.42Å; F110-V178 HydrophobicContact CB-CG1 4.22Å; F110-V178 HydrophobicContact CD1-CG1 3.28Å; F110-V178 HydrophobicContact CE1-CG1 3.86Å; F110-V178 HydrophobicContact CG-CG1 4Å; I111-V178 PolarHBondContact N-O 2.91Å; T137-V178 HydrophobicContact CG2-CB 4.5Å; T137-V178 HydrophobicContact CG2-CG2 4.01Å; T137-V178 CarbonylContact O-C 3.58Å; T137-V178 WeakPolarHBondContact O-CA 3.44Å; M153-V178 HydrophobicContact CB-CB 4.36Å; M153-V178 HydrophobicContact CB-CG1 4.46Å; M153-V178 HydrophobicContact CE-CB 3.82Å; M153-V178 HydrophobicContact CE-CG1 3.67Å |
| 179 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 102.8 | 174.4 | -56.7 | -177.4 | 0 | 0 | 0 | 108.9 | I111 V136 T137 D138 V177 V181 I211 F214 | I111-L179 HydrophobicContact CB-CD2 3.8Å; I111-L179 HydrophobicContact CD1-CD2 4.15Å; I111-L179 HydrophobicContact CG2-CD2 4.19Å; I111-L179 CarbonylContact O-C 3.53Å; I111-L179 VanDerWaalsContact O-CA 3.28Å; I111-L179 WeakPolarHBondContact O-CA 3.38Å; V136-L179 HydrophobicContact CG2-CD1 3.69Å; V136-L179 HydrophobicContact CG2-CD2 4.27Å; V136-L179 HydrophobicContact CG2-CG 3.6Å; T137-L179 PolarHBondContact O-N 3.48Å; D138-L179 WeakPolarHBondContact CA-O 3.35Å; V177-L179 HydrophobicContact CG1-CD2 3.84Å; V177-L179 HydrophobicContact CG1-CG 4.45Å; L179-V181 PolarHBondContact O-N 2.85Å; L179-I211 HydrophobicContact CD1-CD1 3.2Å; L179-F214 HydrophobicContact CD1-CD1 4.36Å; L179-F214 HydrophobicContact CD1-CG 4.4Å; L179-F214 HydrophobicContact CD2-CD2 4.07Å; L179-F214 HydrophobicContact CD2-CE2 4.35Å; L179-F214 HydrophobicContact CD2-CG 4.35Å |
| 180 | D | 98.7 | Very high | 97.7 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 6% | 0.064 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 102.2 | -177.1 | -169.8 | -4.1 | 0 | 0 | 0 | 111.2 | I111 S112 I113 G182 G196 L197 | I111-D180 PolarHBondContact O-N 2.99Å; S112-D180 CarbonylContact C-O 3.46Å; S112-D180 WeakPolarHBondContact CA-O 3.18Å; I113-D180 PolarHBondContact N-O 2.92Å; D180-G182 PolarHBondContact OD1-N 3.21Å; D180-G196 WeakPolarHBondContact OD2-CA 3.4Å; D180-L197 WeakPolarHBondContact O-CD1 3.2Å; D180-L197 PolarHBondContact OD2-N 3.41Å |
| 181 | V | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | trans | -104.2 | 13.9 | 175 | -58 | 0 | 0 | 0 | 0 | 112.6 | I113 L179 Q199 R201 D202 Y207 L210 | I113-V181 HydrophobicContact CB-CB 4.4Å; I113-V181 HydrophobicContact CB-CG1 4.16Å; I113-V181 HydrophobicContact CD1-CG1 4.22Å; L179-V181 PolarHBondContact O-N 2.85Å; V181-Q199 PolarHBondContact O-NE2 2.9Å; V181-R201 HydrophobicContact CG2-CB 4.47Å; V181-R201 HydrophobicContact CG2-CG 4.4Å; V181-R201 CarbonylContact O-C 3.49Å; V181-R201 WeakPolarHBondContact O-CA 3.06Å; V181-D202 PolarHBondContact O-N 2.97Å; V181-Y207 HydrophobicContact CB-CD2 4.42Å; V181-Y207 HydrophobicContact CG1-CD2 3.56Å; V181-Y207 HydrophobicContact CG1-CE2 3.73Å; V181-Y207 HydrophobicContact CG1-CG 4.44Å; V181-Y207 HydrophobicContact CG2-CD2 4.46Å; V181-Y207 HydrophobicContact CG2-CE2 4.29Å; V181-L210 HydrophobicContact CG1-CD2 3.84Å | ||
| 182 | G | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | 99.5 | -178.7 | -166.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D180 Q199 R201 | D180-G182 PolarHBondContact OD1-N 3.21Å; G182-Q199 CarbonylContact C-O 3.56Å; G182-Q199 VanDerWaalsContact CA-O 3.25Å; G182-Q199 WeakPolarHBondContact CA-O 3.43Å; G182-R201 WeakPolarHBondContact O-CG 3.46Å | ||
| 183 | T | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -140.5 | 141.1 | 176.3 | -178.7 | 0 | 0 | 0 | 0 | 110 | D147 N185 L188 L189 Y194 Q199 | D147-T183 PolarHBondContact OD1-OG1 3.33Å; D147-T183 PolarHBondContact OD2-OG1 2.89Å; T183-N185 VanDerWaalsContact C-N 3.25Å; T183-N185 VanDerWaalsContact OG1-CB 3.32Å; T183-N185 WeakPolarHBondContact OG1-CB 3.33Å; T183-N185 PolarHBondContact OG1-N 2.54Å; T183-N185 VanDerWaalsContact OG1-N 3.13Å; T183-L188 HydrophobicContact CG2-CB 4.16Å; T183-L189 HydrophobicContact CG2-CD2 3.88Å; T183-L189 HydrophobicContact CG2-CG 4.09Å; T183-Y194 HydrophobicContact CG2-CE1 3.84Å; T183-Q199 PolarHBondContact N-O 3.43Å | ||
| 184 | D | 98.3 | Very high | 97.4 | Very high | 52 Ų | 52 | 37.4 Ų | 37.4 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | trans | -87.9 | 0.6 | 172.1 | -66.8 | -26.5 | 0 | 0 | 0 | 111.4 | D147 E186 R200 R201 R203 | D147-D184 PolarHBondContact OD2-N 3.32Å; D184-E186 PolarHBondContact O-N 2.99Å; D184-E186 VanDerWaalsContact O-N 3.14Å; D184-R200 PolarHBondContact O-NH1 3.38Å; D184-R200 WeakPolarHBondContact OD1-CB 3.08Å; D184-R200 WeakPolarHBondContact OD1-CD 3.31Å; D184-R201 PolarHBondContact OD1-N 3.21Å; D184-R203 IonicContact OD2-CZ 2.64Å; D184-R203 IonicContact OD2-NE 2.67Å; D184-R203 IonicContact OD2-NH2 3.18Å; D184-R203 PolarHBondContact OD2-NH2 3.47Å | ||
| 185 | N | 97.8 | Very high | 97.3 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 20% | 0.203 | 21% | 0.207 | C | C | . | . | trans | -74.2 | 103 | 176.1 | -170.7 | -31 | 0 | 0 | 0 | 111.8 | D147 T183 T187 L188 L189 | D147-N185 HydrophobicContact CB-CB 4.41Å; D147-N185 WeakPolarHBondContact O-CB 3.49Å; D147-N185 PolarHBondContact O-ND2 2.98Å; T183-N185 VanDerWaalsContact C-N 3.25Å; T183-N185 VanDerWaalsContact OG1-CB 3.32Å; T183-N185 WeakPolarHBondContact OG1-CB 3.33Å; T183-N185 PolarHBondContact OG1-N 2.54Å; T183-N185 VanDerWaalsContact OG1-N 3.13Å; N185-T187 PolarHBondContact O-N 2.64Å; N185-T187 VanDerWaalsContact OD1-CB 3.3Å; N185-T187 WeakPolarHBondContact OD1-CB 3.3Å; N185-T187 PolarHBondContact OD1-N 3.24Å; N185-L188 HydrophobicContact CB-CB 4.18Å; N185-L188 HydrophobicContact CB-CD1 4Å; N185-L188 HydrophobicContact CB-CG 4.06Å; N185-L188 PolarHBondContact O-N 2.83Å; N185-L188 VanDerWaalsContact O-N 3.09Å; N185-L188 PolarHBondContact OD1-N 3.48Å; N185-L189 PolarHBondContact O-N 2.91Å | ||
| 186 | E | 97.8 | Very high | 97.2 | Very high | 84 Ų | 84 | 40.8 Ų | 40.8 | 39% | 0.393 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31 | 179.2 | -144.3 | 63.2 | 59 | 0 | 0 | 114.8 | D184 K190 R200 | D184-E186 PolarHBondContact O-N 2.99Å; D184-E186 VanDerWaalsContact O-N 3.14Å; E186-K190 WeakPolarHBondContact O-CD 3.19Å; E186-K190 WeakPolarHBondContact O-CG 3.5Å; E186-R200 IonicContact OE1-CZ 2.79Å; E186-R200 IonicContact OE1-NH1 3.71Å; E186-R200 PolarHBondContact OE1-NH1 3.16Å; E186-R200 IonicContact OE1-NH2 4Å; E186-R200 PolarHBondContact OE1-NH2 2.8Å; E186-R200 IonicContact OE2-CZ 3.82Å; E186-R200 IonicContact OE2-NH1 2.95Å; E186-R200 IonicContact OE2-NH2 3.54Å; E186-R200 PolarHBondContact OE2-NH2 2.77Å |
| 187 | T | 96.6 | Very high | 97.2 | Very high | 107 Ų | 107 | 41.7 Ų | 41.7 | 66% | 0.656 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -43.8 | 178 | -59 | 0 | 0 | 0 | 0 | 110.2 | N185 K190 D191 | N185-T187 PolarHBondContact O-N 2.64Å; N185-T187 VanDerWaalsContact OD1-CB 3.3Å; N185-T187 WeakPolarHBondContact OD1-CB 3.3Å; N185-T187 PolarHBondContact OD1-N 3.24Å; T187-K190 PolarHBondContact O-N 3.31Å; T187-D191 PolarHBondContact O-N 2.74Å; T187-D191 VanDerWaalsContact O-N 3.08Å |
| 188 | L | 97.1 | Very high | 97.1 | Very high | 12 Ų | 12 | 47.6 Ų | 47.6 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -67.6 | -39.7 | 178 | -65.6 | -178.1 | 0 | 0 | 0 | 111.8 | L148 Y151 T183 N185 K190 D191 Y194 | L148-L188 WeakPolarHBondContact O-CD1 3.38Å; Y151-L188 HydrophobicContact CD2-CD2 3.83Å; Y151-L188 HydrophobicContact CE2-CD2 3.62Å; T183-L188 HydrophobicContact CG2-CB 4.16Å; N185-L188 HydrophobicContact CB-CB 4.18Å; N185-L188 HydrophobicContact CB-CD1 4Å; N185-L188 HydrophobicContact CB-CG 4.06Å; N185-L188 PolarHBondContact O-N 2.83Å; N185-L188 VanDerWaalsContact O-N 3.09Å; N185-L188 PolarHBondContact OD1-N 3.48Å; L188-K190 PolarHBondContact O-N 3.48Å; L188-K190 VanDerWaalsContact O-N 3.1Å; L188-D191 PolarHBondContact O-N 2.67Å; L188-D191 VanDerWaalsContact O-N 3.08Å; L188-Y194 HydrophobicContact CB-CD2 3.95Å; L188-Y194 HydrophobicContact CB-CE2 4.22Å; L188-Y194 HydrophobicContact CB-CG 4.14Å; L188-Y194 HydrophobicContact CD1-CD2 4.21Å; L188-Y194 HydrophobicContact CD1-CE2 3.93Å; L188-Y194 HydrophobicContact CD2-CD2 4.12Å; L188-Y194 HydrophobicContact CG-CD2 4.32Å; L188-Y194 HydrophobicContact CG-CE2 4.49Å; L188-Y194 WeakPolarHBondContact O-CB 3.22Å |
| 189 | L | 97.8 | Very high | 97.1 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -62.6 | -18.5 | 176.2 | -68.3 | 176.2 | 0 | 0 | 0 | 113.8 | T183 N185 Y198 | T183-L189 HydrophobicContact CG2-CD2 3.88Å; T183-L189 HydrophobicContact CG2-CG 4.09Å; N185-L189 PolarHBondContact O-N 2.91Å; L189-Y198 WeakPolarHBondContact O-CD1 3.25Å |
| 190 | K | 97 | Very high | 97.1 | Very high | 155 Ų | 155 | 56 Ų | 56 | 67% | 0.674 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -103.5 | -11.9 | 177.3 | -67.2 | 171.7 | -172.5 | 168.8 | 0 | 113.1 | E186 T187 L188 P192 | E186-K190 WeakPolarHBondContact O-CD 3.19Å; E186-K190 WeakPolarHBondContact O-CG 3.5Å; T187-K190 PolarHBondContact O-N 3.31Å; L188-K190 PolarHBondContact O-N 3.48Å; L188-K190 VanDerWaalsContact O-N 3.1Å; K190-P192 WeakPolarHBondContact O-CD 3.44Å |
| 191 | D | 95.4 | Very high | 97.1 | Very high | 31 Ų | 31 | 56.1 Ų | 56.1 | 17% | 0.166 | 27% | 0.274 | C | S | . | . | trans | -79.5 | 114.6 | 179.9 | 176.6 | 12.3 | 0 | 0 | 0 | 109.2 | Y151 T187 L188 F193 Y194 Y198 | Y151-D191 PolarHBondContact OH-OD2 2.92Å; T187-D191 PolarHBondContact O-N 2.74Å; T187-D191 VanDerWaalsContact O-N 3.08Å; L188-D191 PolarHBondContact O-N 2.67Å; L188-D191 VanDerWaalsContact O-N 3.08Å; D191-F193 PolarHBondContact O-N 2.65Å; D191-F193 VanDerWaalsContact O-N 3.12Å; D191-F193 WeakPolarHBondContact OD1-CB 3.21Å; D191-F193 WeakPolarHBondContact OD1-CD2 3.2Å; D191-F193 PolarHBondContact OD1-N 3.41Å; D191-Y194 WeakPolarHBondContact O-CB 3.5Å; D191-Y194 PolarHBondContact O-N 3.09Å; D191-Y198 PolarHBondContact O-OH 3.11Å | ||
| 192 | P | 93.8 | Very high | 97 | Very high | 101 Ų | 101 | 58.1 Ų | 58.1 | 66% | 0.656 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -11.8 | 178.5 | 29.9 | -37 | 0 | 0 | 0 | 113.5 | K190 Y198 | K190-P192 WeakPolarHBondContact O-CD 3.44Å; P192-Y198 PolarHBondContact O-OH 3.28Å |
| 193 | F | 93.1 | Very high | 96.9 | Very high | 129 Ų | 129 | 65.1 Ų | 65.1 | 57% | 0.566 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -1.7 | 175.6 | -56.9 | -68.4 | 0 | 0 | 0 | 113.1 | H101 Y151 D191 M195 | H101-F193 AromaticContact CE1-CD2 3.57Å; H101-F193 AromaticContact CE1-CG 3.92Å; Y151-F193 PolarHBondContact OH-O 3.24Å; D191-F193 PolarHBondContact O-N 2.65Å; D191-F193 VanDerWaalsContact O-N 3.12Å; D191-F193 WeakPolarHBondContact OD1-CB 3.21Å; D191-F193 WeakPolarHBondContact OD1-CD2 3.2Å; D191-F193 PolarHBondContact OD1-N 3.41Å; F193-M195 PolarHBondContact O-N 2.78Å |
| 194 | Y | 95.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 68 Ų | 68 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | trans | -61.1 | 129.6 | 174 | -177.7 | -121.1 | 0 | 0 | 0 | 110.4 | C150 Y151 T183 L188 D191 G196 L197 Y198 | C150-Y194 HydrophobicContact CB-CE2 4.28Å; C150-Y194 PolarHBondContact N-OH 3.18Å; C150-Y194 VanDerWaalsContact N-OH 3.08Å; Y151-Y194 HydrophobicContact CD1-CD2 4.08Å; Y151-Y194 HydrophobicContact CD1-CE2 4.2Å; Y151-Y194 AromaticContact CE1-CD2 3.8Å; Y151-Y194 HydrophobicContact CE1-CD2 3.8Å; Y151-Y194 HydrophobicContact CE1-CE2 4.38Å; Y151-Y194 HydrophobicContact CE2-CD2 4.33Å; Y151-Y194 HydrophobicContact CG-CD2 4.48Å; Y151-Y194 HydrophobicContact CG-CE2 4.48Å; Y151-Y194 AromaticContact CZ-CD2 3.93Å; Y151-Y194 WeakPolarHBondContact OH-CA 3.41Å; T183-Y194 HydrophobicContact CG2-CE1 3.84Å; L188-Y194 HydrophobicContact CB-CD2 3.95Å; L188-Y194 HydrophobicContact CB-CE2 4.22Å; L188-Y194 HydrophobicContact CB-CG 4.14Å; L188-Y194 HydrophobicContact CD1-CD2 4.21Å; L188-Y194 HydrophobicContact CD1-CE2 3.93Å; L188-Y194 HydrophobicContact CD2-CD2 4.12Å; L188-Y194 HydrophobicContact CG-CD2 4.32Å; L188-Y194 HydrophobicContact CG-CE2 4.49Å; L188-Y194 WeakPolarHBondContact O-CB 3.22Å; D191-Y194 WeakPolarHBondContact O-CB 3.5Å; D191-Y194 PolarHBondContact O-N 3.09Å; Y194-G196 VanDerWaalsContact CE1-CA 3.44Å; Y194-L197 WeakPolarHBondContact CE1-O 3.5Å; Y194-Y198 HydrophobicContact CD1-CE2 4.31Å; Y194-Y198 PolarHBondContact N-OH 2.95Å; Y194-Y198 WeakPolarHBondContact O-CE2 3.11Å; Y194-Y198 PolarHBondContact O-OH 3.41Å | ||
| 195 | M | 94.7 | Very high | 96.8 | Very high | 71 Ų | 71 | 70.8 Ų | 70.8 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | trans | -96.2 | -8.7 | -172.9 | -63 | -172.7 | -59.2 | 0 | 0 | 113.4 | Y99 F103 Y151 F193 | Y99-M195 HydrophobicContact CD1-CE 3.34Å; Y99-M195 HydrophobicContact CE1-CE 3.79Å; Y99-M195 HydrophobicContact CG-CE 4.34Å; F103-M195 HydrophobicContact CB-CE 3.99Å; F103-M195 HydrophobicContact CB-SD 3.73Å; F103-M195 HydrophobicContact CD1-SD 3.99Å; F103-M195 HydrophobicContact CD2-CE 3.6Å; F103-M195 HydrophobicContact CD2-SD 3.77Å; F103-M195 HydrophobicContact CE2-CE 4.27Å; F103-M195 HydrophobicContact CE2-SD 4.33Å; F103-M195 HydrophobicContact CG-CE 3.93Å; F103-M195 HydrophobicContact CG-SD 3.56Å; F103-M195 VanDerWaalsContact CG-SD 3.56Å; Y151-M195 HydrophobicContact CD1-CE 4.07Å; Y151-M195 HydrophobicContact CE1-CB 4.24Å; Y151-M195 HydrophobicContact CE1-CE 3.92Å; Y151-M195 HydrophobicContact CE1-CG 4.16Å; F193-M195 PolarHBondContact O-N 2.78Å | ||
| 196 | G | 96.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 69.6 Ų | 69.6 | 10% | 0.103 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -93 | -170 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D180 Y194 Y198 | D180-G196 WeakPolarHBondContact OD2-CA 3.4Å; Y194-G196 VanDerWaalsContact CE1-CA 3.44Å; G196-Y198 PolarHBondContact O-N 3.38Å |
| 197 | L | 98.3 | Very high | 96.8 | Very high | 32 Ų | 32 | 65.9 Ų | 65.9 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | trans | -70.2 | 127.5 | 178.1 | -62.7 | 179.1 | 0 | 0 | 0 | 112 | I113 L114 D180 Y194 Q199 | I113-L197 HydrophobicContact CG2-CD1 3.79Å; L114-L197 HydrophobicContact CD1-CD2 3.86Å; L114-L197 HydrophobicContact CG-CD1 4.4Å; L114-L197 HydrophobicContact CG-CD2 4.49Å; D180-L197 WeakPolarHBondContact O-CD1 3.2Å; D180-L197 PolarHBondContact OD2-N 3.41Å; Y194-L197 WeakPolarHBondContact CE1-O 3.5Å; L197-Q199 HydrophobicContact CB-CG 3.9Å; L197-Q199 HydrophobicContact CD1-CG 4.47Å; L197-Q199 PolarHBondContact O-N 3.34Å | ||
| 198 | Y | 97.8 | Very high | 96.9 | Very high | 123 Ų | 123 | 62 Ų | 62 | 48% | 0.482 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -77.9 | 59.9 | 174 | -71.2 | -100.1 | 0 | 0 | 0 | 111.5 | L189 D191 P192 Y194 G196 | L189-Y198 WeakPolarHBondContact O-CD1 3.25Å; D191-Y198 PolarHBondContact O-OH 3.11Å; P192-Y198 PolarHBondContact O-OH 3.28Å; Y194-Y198 HydrophobicContact CD1-CE2 4.31Å; Y194-Y198 PolarHBondContact N-OH 2.95Å; Y194-Y198 WeakPolarHBondContact O-CE2 3.11Å; Y194-Y198 PolarHBondContact O-OH 3.41Å; G196-Y198 PolarHBondContact O-N 3.38Å |
| 199 | Q | 98.1 | Very high | 96.9 | Very high | 67 Ų | 67 | 64.4 Ų | 64.4 | 31% | 0.313 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -145.5 | 159.8 | 175.7 | 66.7 | 177.8 | 58.6 | 0 | 0 | 110.4 | V181 G182 T183 L197 | V181-Q199 PolarHBondContact O-NE2 2.9Å; G182-Q199 CarbonylContact C-O 3.56Å; G182-Q199 VanDerWaalsContact CA-O 3.25Å; G182-Q199 WeakPolarHBondContact CA-O 3.43Å; T183-Q199 PolarHBondContact N-O 3.43Å; L197-Q199 HydrophobicContact CB-CG 3.9Å; L197-Q199 HydrophobicContact CD1-CG 4.47Å; L197-Q199 PolarHBondContact O-N 3.34Å |
| 200 | R | 98.4 | Very high | 97 | Very high | 110 Ų | 110 | 62.9 Ų | 62.9 | 42% | 0.415 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 158.6 | 167.2 | -64.5 | -63.1 | 179.8 | 169.2 | 5.6 | 111.2 | D184 E186 D202 | D184-R200 PolarHBondContact O-NH1 3.38Å; D184-R200 WeakPolarHBondContact OD1-CB 3.08Å; D184-R200 WeakPolarHBondContact OD1-CD 3.31Å; E186-R200 IonicContact OE1-CZ 2.79Å; E186-R200 IonicContact OE1-NH1 3.71Å; E186-R200 PolarHBondContact OE1-NH1 3.16Å; E186-R200 IonicContact OE1-NH2 4Å; E186-R200 PolarHBondContact OE1-NH2 2.8Å; E186-R200 IonicContact OE2-CZ 3.82Å; E186-R200 IonicContact OE2-NH1 2.95Å; E186-R200 IonicContact OE2-NH2 3.54Å; E186-R200 PolarHBondContact OE2-NH2 2.77Å; R200-D202 PolarHBondContact O-N 3.38Å |
| 201 | R | 98.4 | Very high | 97 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 6% | 0.057 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 126.7 | 176 | -72.3 | -174.6 | 173.4 | -82.7 | -11 | 110.6 | D138 G139 E140 D147 V181 G182 D184 R203 | D138-R201 PolarHBondContact O-NH1 2.97Å; D138-R201 PolarHBondContact O-NH2 3.35Å; D138-R201 IonicContact OD2-NH1 2.89Å; G139-R201 VanDerWaalsContact C-NH2 3.26Å; G139-R201 PolarHBondContact O-NH2 3.44Å; E140-R201 VanDerWaalsContact CA-CZ 3.48Å; E140-R201 VanDerWaalsContact CA-NH2 3.25Å; E140-R201 VanDerWaalsContact CB-CZ 3.47Å; E140-R201 VanDerWaalsContact N-NH2 3.16Å; D147-R201 IonicContact OD1-CZ 2.67Å; D147-R201 IonicContact OD1-NE 2.67Å; D147-R201 PolarHBondContact OD1-NE 2.91Å; D147-R201 IonicContact OD1-NH2 3.69Å; D147-R201 PolarHBondContact OD1-NH2 3.24Å; D147-R201 IonicContact OD2-CZ 3.95Å; D147-R201 IonicContact OD2-NE 3.1Å; D147-R201 PolarHBondContact OD2-NE 3.25Å; D147-R201 IonicContact OD2-NH2 3.41Å; V181-R201 HydrophobicContact CG2-CB 4.47Å; V181-R201 HydrophobicContact CG2-CG 4.4Å; V181-R201 CarbonylContact O-C 3.49Å; V181-R201 WeakPolarHBondContact O-CA 3.06Å; G182-R201 WeakPolarHBondContact O-CG 3.46Å; D184-R201 PolarHBondContact OD1-N 3.21Å; R201-R203 PolarHBondContact O-N 3.05Å |
| 202 | D | 97.8 | Very high | 97.2 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 120.4 | 169.1 | -164.5 | -47.8 | 0 | 0 | 0 | 109 | I113 V181 R200 S204 | I113-D202 HydrophobicContact CG1-CB 4.28Å; V181-D202 PolarHBondContact O-N 2.97Å; R200-D202 PolarHBondContact O-N 3.38Å; D202-S204 WeakPolarHBondContact OD1-CA 3.14Å; D202-S204 WeakPolarHBondContact OD1-CB 3.32Å; D202-S204 PolarHBondContact OD1-N 2.86Å; D202-S204 PolarHBondContact OD1-OG 2.77Å |
| 203 | R | 95.7 | Very high | 97.4 | Very high | 147 Ų | 147 | 52.7 Ų | 52.7 | 56% | 0.555 | 25% | 0.246 | S | C | * | . | trans | -113.6 | 10.4 | 177.9 | -59.1 | -176.7 | -176.8 | -81.3 | -0.3 | 112.2 | E140 D184 R201 | E140-R203 IonicContact OE1-CZ 3.86Å; E140-R203 VanDerWaalsContact OE1-CZ 3.3Å; E140-R203 IonicContact OE1-NH1 3.09Å; E140-R203 PolarHBondContact OE1-NH1 2.94Å; E140-R203 IonicContact OE1-NH2 2.7Å; E140-R203 PolarHBondContact OE1-NH2 3.35Å; D184-R203 IonicContact OD2-CZ 2.64Å; D184-R203 IonicContact OD2-NE 2.67Å; D184-R203 IonicContact OD2-NH2 3.18Å; D184-R203 PolarHBondContact OD2-NH2 3.47Å; R201-R203 PolarHBondContact O-N 3.05Å | ||
| 204 | S | 96.9 | Very high | 97.7 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 41% | 0.413 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -80.6 | -179.1 | 179.7 | 78.9 | 0 | 0 | 0 | 0 | 111.2 | D202 A206 Y207 | D202-S204 WeakPolarHBondContact OD1-CA 3.14Å; D202-S204 WeakPolarHBondContact OD1-CB 3.32Å; D202-S204 PolarHBondContact OD1-N 2.86Å; D202-S204 PolarHBondContact OD1-OG 2.77Å; S204-A206 PolarHBondContact O-N 2.94Å; S204-A206 VanDerWaalsContact O-N 3.14Å; S204-A206 WeakPolarHBondContact OG-CB 3.24Å; S204-A206 PolarHBondContact OG-N 2.96Å; S204-Y207 PolarHBondContact O-N 3.47Å; S204-Y207 VanDerWaalsContact O-N 3.13Å |
| 205 | Q | 97.4 | Very high | 97.9 | Very high | 111 Ų | 111 | 46.1 Ų | 46.1 | 52% | 0.519 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.3 | -26.7 | 174.1 | -173.6 | 55.8 | 34.5 | 0 | 0 | 112.3 | Y207 N208 D209 | Q205-Y207 PolarHBondContact O-N 3.27Å; Q205-N208 WeakPolarHBondContact O-CB 3.22Å; Q205-N208 PolarHBondContact O-N 3.2Å; Q205-N208 PolarHBondContact OE1-ND2 3.11Å; Q205-D209 PolarHBondContact NE2-OD1 3.18Å; Q205-D209 VanDerWaalsContact O-CG 3.22Å; Q205-D209 PolarHBondContact O-N 2.92Å |
| 206 | A | 97.9 | Very high | 98.1 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 11% | 0.107 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -50.1 | -41.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I113 S204 D209 L210 | I113-A206 HydrophobicContact CD1-CB 4.08Å; I113-A206 WeakPolarHBondContact CD1-O 3.46Å; I113-A206 HydrophobicContact CG1-CB 4.46Å; S204-A206 PolarHBondContact O-N 2.94Å; S204-A206 VanDerWaalsContact O-N 3.14Å; S204-A206 WeakPolarHBondContact OG-CB 3.24Å; S204-A206 PolarHBondContact OG-N 2.96Å; A206-D209 PolarHBondContact O-N 3.36Å; A206-L210 PolarHBondContact O-N 2.95Å |
| 207 | Y | 98.1 | Very high | 98.1 | Very high | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.5 | -42.8 | 179.8 | 179.8 | -149.6 | 0 | 0 | 0 | 111.1 | D138 V181 S204 Q205 D209 L210 I211 F233 F241 | D138-Y207 PolarHBondContact OD2-OH 3.34Å; V181-Y207 HydrophobicContact CB-CD2 4.42Å; V181-Y207 HydrophobicContact CG1-CD2 3.56Å; V181-Y207 HydrophobicContact CG1-CE2 3.73Å; V181-Y207 HydrophobicContact CG1-CG 4.44Å; V181-Y207 HydrophobicContact CG2-CD2 4.46Å; V181-Y207 HydrophobicContact CG2-CE2 4.29Å; S204-Y207 PolarHBondContact O-N 3.47Å; S204-Y207 VanDerWaalsContact O-N 3.13Å; Q205-Y207 PolarHBondContact O-N 3.27Å; Y207-D209 VanDerWaalsContact C-N 3.33Å; Y207-D209 PolarHBondContact O-N 3.36Å; Y207-L210 WeakPolarHBondContact O-CB 3.43Å; Y207-L210 PolarHBondContact O-N 2.97Å; Y207-I211 HydrophobicContact CD2-CD1 4.15Å; Y207-I211 HydrophobicContact CD2-CG1 4.03Å; Y207-I211 HydrophobicContact CE2-CD1 3.54Å; Y207-I211 HydrophobicContact CE2-CG1 3.73Å; Y207-I211 WeakPolarHBondContact O-CG1 3.36Å; Y207-I211 PolarHBondContact O-N 3.48Å; Y207-I211 VanDerWaalsContact O-N 3.08Å; Y207-F233 WeakPolarHBondContact OH-CE1 3.48Å; Y207-F241 HydrophobicContact CD1-CZ 4.36Å; Y207-F241 HydrophobicContact CE1-CE2 4Å; Y207-F241 AromaticContact CE1-CZ 3.85Å; Y207-F241 HydrophobicContact CE1-CZ 3.85Å; Y207-F241 HydrophobicContact CE2-CZ 4.48Å; Y207-F241 AromaticContact CZ-CE2 3.83Å; Y207-F241 AromaticContact CZ-CZ 3.93Å |
| 208 | N | 97.7 | Very high | 98.2 | Very high | 24 Ų | 24 | 46.4 Ų | 46.4 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 178.3 | -59.2 | -39.7 | 0 | 0 | 0 | 111.8 | Q205 L210 I211 D212 R240 | Q205-N208 WeakPolarHBondContact O-CB 3.22Å; Q205-N208 PolarHBondContact O-N 3.2Å; Q205-N208 PolarHBondContact OE1-ND2 3.11Å; N208-L210 VanDerWaalsContact C-N 3.31Å; N208-I211 PolarHBondContact O-N 2.88Å; N208-D212 PolarHBondContact O-N 3.48Å; N208-R240 PolarHBondContact OD1-NH1 3.29Å; N208-R240 PolarHBondContact OD1-NH2 3.13Å |
| 209 | D | 98.4 | Very high | 98.2 | Very high | 64 Ų | 64 | 41.5 Ų | 41.5 | 34% | 0.342 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.3 | -37.7 | 178.9 | -59.1 | -17.3 | 0 | 0 | 0 | 110.8 | Q205 A206 Y207 D212 E213 | Q205-D209 PolarHBondContact NE2-OD1 3.18Å; Q205-D209 VanDerWaalsContact O-CG 3.22Å; Q205-D209 PolarHBondContact O-N 2.92Å; A206-D209 PolarHBondContact O-N 3.36Å; Y207-D209 VanDerWaalsContact C-N 3.33Å; Y207-D209 PolarHBondContact O-N 3.36Å; D209-D212 PolarHBondContact O-N 2.95Å; D209-E213 WeakPolarHBondContact O-CB 3.44Å; D209-E213 PolarHBondContact O-N 2.73Å |
| 210 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 174 | -176.2 | 78.8 | 0 | 0 | 0 | 111.9 | I111 I113 R116 I119 V181 A206 Y207 N208 D212 E213 F214 | I111-L210 HydrophobicContact CG2-CD1 4.35Å; I113-L210 HydrophobicContact CD1-CB 3.89Å; I113-L210 HydrophobicContact CD1-CD2 3.91Å; I113-L210 HydrophobicContact CD1-CG 4.37Å; R116-L210 HydrophobicContact CB-CD1 4.21Å; I119-L210 HydrophobicContact CD1-CD1 3.82Å; I119-L210 HydrophobicContact CD1-CG 4.38Å; I119-L210 HydrophobicContact CG1-CD1 4.43Å; V181-L210 HydrophobicContact CG1-CD2 3.84Å; A206-L210 PolarHBondContact O-N 2.95Å; Y207-L210 WeakPolarHBondContact O-CB 3.43Å; Y207-L210 PolarHBondContact O-N 2.97Å; N208-L210 VanDerWaalsContact C-N 3.31Å; L210-D212 VanDerWaalsContact C-N 3.35Å; L210-E213 PolarHBondContact O-N 3.23Å; L210-F214 WeakPolarHBondContact O-CB 3.48Å; L210-F214 PolarHBondContact O-N 2.78Å |
| 211 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.1 | -40.3 | 178.7 | -55.6 | -51.1 | 0 | 0 | 0 | 110.7 | L179 Y207 N208 F214 M215 F230 F241 Y245 | L179-I211 HydrophobicContact CD1-CD1 3.2Å; Y207-I211 HydrophobicContact CD2-CD1 4.15Å; Y207-I211 HydrophobicContact CD2-CG1 4.03Å; Y207-I211 HydrophobicContact CE2-CD1 3.54Å; Y207-I211 HydrophobicContact CE2-CG1 3.73Å; Y207-I211 WeakPolarHBondContact O-CG1 3.36Å; Y207-I211 PolarHBondContact O-N 3.48Å; Y207-I211 VanDerWaalsContact O-N 3.08Å; N208-I211 PolarHBondContact O-N 2.88Å; I211-F214 WeakPolarHBondContact O-CB 3.43Å; I211-F214 PolarHBondContact O-N 3Å; I211-M215 HydrophobicContact CG2-CG 4.29Å; I211-M215 VanDerWaalsContact O-CG 3.26Å; I211-M215 WeakPolarHBondContact O-CG 3.31Å; I211-M215 PolarHBondContact O-N 3.34Å; I211-F230 HydrophobicContact CG2-CE1 4.39Å; I211-F230 HydrophobicContact CG2-CZ 4.4Å; I211-F241 HydrophobicContact CB-CE1 4.16Å; I211-F241 HydrophobicContact CB-CZ 4.27Å; I211-F241 HydrophobicContact CG1-CE1 3.93Å; I211-F241 HydrophobicContact CG1-CE2 3.97Å; I211-F241 HydrophobicContact CG1-CZ 3.53Å; I211-F241 HydrophobicContact CG2-CD1 4.26Å; I211-F241 HydrophobicContact CG2-CE1 4.22Å; I211-F241 HydrophobicContact CG2-CZ 4.47Å; I211-Y245 HydrophobicContact CG2-CE2 3.46Å; I211-Y245 VanDerWaalsContact CG2-CE2 3.46Å; I211-Y245 VanDerWaalsContact CG2-OH 3.3Å; I211-Y245 WeakPolarHBondContact CG2-OH 3.43Å |
| 212 | D | 98.8 | Very high | 98.1 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 20% | 0.203 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.3 | -50.5 | 176 | -75 | -20 | 0 | 0 | 0 | 111.5 | N208 D209 L210 F214 M215 E216 K244 Y245 | N208-D212 PolarHBondContact O-N 3.48Å; D209-D212 PolarHBondContact O-N 2.95Å; L210-D212 VanDerWaalsContact C-N 3.35Å; D212-F214 VanDerWaalsContact C-N 3.29Å; D212-F214 PolarHBondContact O-N 3.35Å; D212-M215 PolarHBondContact O-N 3.05Å; D212-E216 WeakPolarHBondContact O-CG 3.4Å; D212-E216 PolarHBondContact O-N 2.92Å; D212-K244 WeakPolarHBondContact OD1-CE 3.36Å; D212-K244 IonicContact OD1-NZ 3.45Å; D212-K244 PolarHBondContact OD1-NZ 2.99Å; D212-K244 IonicContact OD2-NZ 2.97Å; D212-K244 PolarHBondContact OD2-NZ 3.43Å; D212-Y245 VanDerWaalsContact OD1-CE1 3.25Å; D212-Y245 WeakPolarHBondContact OD1-CE1 3.47Å; D212-Y245 VanDerWaalsContact OD1-CZ 3.31Å; D212-Y245 PolarHBondContact OD1-OH 2.8Å |
| 213 | E | 98.8 | Very high | 98.1 | Very high | 35 Ų | 35 | 41 Ų | 41 | 16% | 0.164 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -39.6 | 175.9 | -174.6 | -167.7 | 165.2 | 0 | 0 | 111.7 | R116 G117 H118 I119 D209 L210 E216 A217 | R116-E213 WeakPolarHBondContact CA-OE2 3.41Å; R116-E213 WeakPolarHBondContact CG-OE2 3.29Å; G117-E213 VanDerWaalsContact CA-OE1 3.31Å; G117-E213 WeakPolarHBondContact CA-OE1 3.31Å; G117-E213 PolarHBondContact N-OE1 3.14Å; G117-E213 PolarHBondContact N-OE2 2.86Å; H118-E213 PolarHBondContact N-OE1 3.43Å; I119-E213 HydrophobicContact CB-CG 4.14Å; I119-E213 WeakPolarHBondContact CB-OE1 3.35Å; I119-E213 HydrophobicContact CD1-CB 3.89Å; I119-E213 HydrophobicContact CD1-CG 3.79Å; I119-E213 HydrophobicContact CG1-CG 4.1Å; I119-E213 WeakPolarHBondContact CG1-OE1 3.36Å; I119-E213 PolarHBondContact N-OE1 3.33Å; D209-E213 WeakPolarHBondContact O-CB 3.44Å; D209-E213 PolarHBondContact O-N 2.73Å; L210-E213 PolarHBondContact O-N 3.23Å; E213-E216 PolarHBondContact O-N 3.36Å; E213-A217 WeakPolarHBondContact O-CB 3.06Å; E213-A217 PolarHBondContact O-N 3.25Å |
| 214 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -49.7 | 178.3 | 172 | -103.4 | 0 | 0 | 0 | 111.6 | I111 I119 V134 V136 V177 L179 L210 I211 D212 E216 A217 V218 I228 | I111-F214 HydrophobicContact CD1-CD2 3.81Å; I111-F214 HydrophobicContact CD1-CE2 3.94Å; I119-F214 HydrophobicContact CD1-CB 3.86Å; I119-F214 HydrophobicContact CG2-CD2 4.34Å; V134-F214 HydrophobicContact CG1-CZ 3.98Å; V136-F214 HydrophobicContact CB-CE1 4.11Å; V136-F214 HydrophobicContact CB-CZ 4.06Å; V136-F214 HydrophobicContact CG1-CE1 4.03Å; V136-F214 HydrophobicContact CG1-CZ 4.45Å; V136-F214 HydrophobicContact CG2-CE1 3.96Å; V136-F214 HydrophobicContact CG2-CZ 3.91Å; V177-F214 HydrophobicContact CB-CE2 4.43Å; V177-F214 HydrophobicContact CB-CZ 4.39Å; V177-F214 HydrophobicContact CG1-CE2 3.84Å; V177-F214 HydrophobicContact CG1-CZ 4.17Å; V177-F214 HydrophobicContact CG2-CE2 4.25Å; V177-F214 HydrophobicContact CG2-CZ 4.31Å; L179-F214 HydrophobicContact CD1-CD1 4.36Å; L179-F214 HydrophobicContact CD1-CG 4.4Å; L179-F214 HydrophobicContact CD2-CD2 4.07Å; L179-F214 HydrophobicContact CD2-CE2 4.35Å; L179-F214 HydrophobicContact CD2-CG 4.35Å; L210-F214 WeakPolarHBondContact O-CB 3.48Å; L210-F214 PolarHBondContact O-N 2.78Å; I211-F214 WeakPolarHBondContact O-CB 3.43Å; I211-F214 PolarHBondContact O-N 3Å; D212-F214 VanDerWaalsContact C-N 3.29Å; D212-F214 PolarHBondContact O-N 3.35Å; F214-E216 VanDerWaalsContact C-N 3.33Å; F214-E216 PolarHBondContact O-N 2.95Å; F214-A217 PolarHBondContact O-N 3.01Å; F214-V218 HydrophobicContact CD2-CG2 4.09Å; F214-V218 HydrophobicContact CE1-CG2 4.3Å; F214-V218 HydrophobicContact CE2-CG2 3.68Å; F214-V218 HydrophobicContact CZ-CG2 3.82Å; F214-V218 WeakPolarHBondContact O-CB 3.37Å; F214-V218 VanDerWaalsContact O-CG2 3.28Å; F214-V218 WeakPolarHBondContact O-CG2 3.23Å; F214-V218 PolarHBondContact O-N 3.39Å; F214-I228 HydrophobicContact CE1-CG2 4.18Å |
| 215 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | 179.8 | -63.4 | -61.9 | -70.4 | 0 | 0 | 111.1 | I211 D212 V219 I228 F230 Y245 Y249 T251 | I211-M215 HydrophobicContact CG2-CG 4.29Å; I211-M215 VanDerWaalsContact O-CG 3.26Å; I211-M215 WeakPolarHBondContact O-CG 3.31Å; I211-M215 PolarHBondContact O-N 3.34Å; D212-M215 PolarHBondContact O-N 3.05Å; M215-V219 PolarHBondContact O-N 2.91Å; M215-I228 HydrophobicContact CE-CB 4.27Å; M215-I228 HydrophobicContact CE-CD1 3.63Å; M215-I228 HydrophobicContact CE-CG2 4.2Å; M215-I228 HydrophobicContact SD-CD1 3.84Å; M215-I228 HydrophobicContact SD-CG2 3.91Å; M215-F230 HydrophobicContact CE-CE2 4.07Å; M215-F230 HydrophobicContact CE-CZ 4.36Å; M215-F230 HydrophobicContact SD-CE2 3.9Å; M215-F230 HydrophobicContact SD-CZ 3.7Å; M215-Y245 HydrophobicContact CE-CD2 4.43Å; M215-Y245 HydrophobicContact CE-CG 4.1Å; M215-Y245 HydrophobicContact CG-CD1 4.13Å; M215-Y245 HydrophobicContact CG-CD2 4.3Å; M215-Y245 HydrophobicContact CG-CE1 4.02Å; M215-Y245 HydrophobicContact CG-CE2 4.23Å; M215-Y245 HydrophobicContact CG-CG 4.29Å; M215-Y249 HydrophobicContact CB-CD2 3.96Å; M215-Y249 HydrophobicContact CB-CE1 4.42Å; M215-Y249 HydrophobicContact CB-CE2 3.5Å; M215-Y249 HydrophobicContact CE-CD2 3.5Å; M215-Y249 VanDerWaalsContact CE-CD2 3.5Å; M215-Y249 HydrophobicContact CE-CE2 4.27Å; M215-Y249 HydrophobicContact CE-CG 3.7Å; M215-Y249 HydrophobicContact CG-CD2 4.37Å; M215-Y249 HydrophobicContact CG-CE2 4.25Å; M215-T251 HydrophobicContact CE-CG2 4.39Å |
| 216 | E | 98.7 | Very high | 98.2 | Very high | 115 Ų | 115 | 32.7 Ų | 32.7 | 54% | 0.537 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.3 | -49.6 | 177.6 | -72.1 | 174.5 | -174 | 0 | 0 | 111.5 | D212 E213 F214 V218 V219 E220 Y249 | D212-E216 WeakPolarHBondContact O-CG 3.4Å; D212-E216 PolarHBondContact O-N 2.92Å; E213-E216 PolarHBondContact O-N 3.36Å; F214-E216 VanDerWaalsContact C-N 3.33Å; F214-E216 PolarHBondContact O-N 2.95Å; E216-V218 PolarHBondContact O-N 3.5Å; E216-V219 PolarHBondContact O-N 3Å; E216-E220 VanDerWaalsContact O-CB 3.3Å; E216-E220 WeakPolarHBondContact O-CB 3.22Å; E216-E220 PolarHBondContact O-N 3.22Å; E216-Y249 WeakPolarHBondContact CG-OH 3.2Å |
| 217 | A | 98.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.033 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66 | -36.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I119 R120 L123 E213 F214 K221 | I119-A217 HydrophobicContact CB-CB 4.2Å; I119-A217 HydrophobicContact CG2-CB 3.8Å; R120-A217 HydrophobicContact CB-CB 4.3Å; L123-A217 VanDerWaalsContact CD1-C 3.45Å; L123-A217 HydrophobicContact CD1-CB 3.79Å; L123-A217 WeakPolarHBondContact CD1-O 3.24Å; E213-A217 WeakPolarHBondContact O-CB 3.06Å; E213-A217 PolarHBondContact O-N 3.25Å; F214-A217 PolarHBondContact O-N 3.01Å; A217-K221 WeakPolarHBondContact O-CB 3.34Å; A217-K221 PolarHBondContact O-N 3.39Å |
| 218 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.4 | -47.6 | 175.2 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | L123 V134 F214 E216 K221 Y222 T226 I228 | L123-V218 HydrophobicContact CD1-CG2 4.1Å; L123-V218 HydrophobicContact CD2-CG2 4.4Å; V134-V218 HydrophobicContact CG2-CG1 3.96Å; F214-V218 HydrophobicContact CD2-CG2 4.09Å; F214-V218 HydrophobicContact CE1-CG2 4.3Å; F214-V218 HydrophobicContact CE2-CG2 3.68Å; F214-V218 HydrophobicContact CZ-CG2 3.82Å; F214-V218 WeakPolarHBondContact O-CB 3.37Å; F214-V218 VanDerWaalsContact O-CG2 3.28Å; F214-V218 WeakPolarHBondContact O-CG2 3.23Å; F214-V218 PolarHBondContact O-N 3.39Å; E216-V218 PolarHBondContact O-N 3.5Å; V218-K221 PolarHBondContact O-N 2.83Å; V218-Y222 HydrophobicContact CG1-CD2 4.18Å; V218-Y222 WeakPolarHBondContact O-CB 3.44Å; V218-Y222 WeakPolarHBondContact O-CD2 3.42Å; V218-Y222 PolarHBondContact O-N 2.8Å; V218-T226 HydrophobicContact CG1-CG2 3.9Å; V218-I228 HydrophobicContact CB-CD1 4.07Å; V218-I228 HydrophobicContact CG1-CD1 3.65Å; V218-I228 HydrophobicContact CG1-CG1 3.92Å |
| 219 | V | 97.9 | Very high | 98.3 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 12% | 0.115 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72.1 | -37.5 | -178.8 | 165.5 | 0 | 0 | 0 | 0 | 112.3 | M215 E216 K221 G223 Q224 I228 Y249 | M215-V219 PolarHBondContact O-N 2.91Å; E216-V219 PolarHBondContact O-N 3Å; V219-K221 VanDerWaalsContact C-N 3.28Å; V219-K221 PolarHBondContact O-N 3.38Å; V219-G223 CarbonylContact O-C 3.58Å; V219-G223 VanDerWaalsContact O-CA 3.27Å; V219-G223 WeakPolarHBondContact O-CA 3.29Å; V219-G223 PolarHBondContact O-N 3.09Å; V219-Q224 HydrophobicContact CG1-CB 4.3Å; V219-I228 HydrophobicContact CG2-CD1 4.47Å; V219-Y249 HydrophobicContact CB-CD1 4.47Å; V219-Y249 HydrophobicContact CB-CE1 4.25Å; V219-Y249 HydrophobicContact CG2-CD1 3.67Å; V219-Y249 HydrophobicContact CG2-CE1 3.91Å |
| 220 | E | 97.8 | Very high | 98.3 | Very high | 143 Ų | 143 | 27.6 Ų | 27.6 | 67% | 0.668 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -58.9 | -42.1 | 173 | -172.1 | -168.5 | 165.4 | 0 | 0 | 111 | E216 | E216-E220 VanDerWaalsContact O-CB 3.3Å; E216-E220 WeakPolarHBondContact O-CB 3.22Å; E216-E220 PolarHBondContact O-N 3.22Å |
| 221 | K | 97.9 | Very high | 98.2 | Very high | 38 Ų | 38 | 27.7 Ų | 27.7 | 17% | 0.165 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -74.1 | -50.7 | 179.9 | -175.2 | 171.5 | 178.4 | 168.8 | 0 | 113 | R120 L123 D124 A217 V218 V219 | R120-K221 VanDerWaalsContact CZ-CB 3.44Å; R120-K221 VanDerWaalsContact NH1-CD 3.29Å; R120-K221 VanDerWaalsContact NH2-CG 3.35Å; L123-K221 VanDerWaalsContact C-NZ 3.25Å; L123-K221 HydrophobicContact CB-CD 3.76Å; L123-K221 HydrophobicContact CD1-CB 4.46Å; L123-K221 PolarHBondContact O-NZ 3.31Å; D124-K221 IonicContact OD1-NZ 2.73Å; A217-K221 WeakPolarHBondContact O-CB 3.34Å; A217-K221 PolarHBondContact O-N 3.39Å; V218-K221 PolarHBondContact O-N 2.83Å; V219-K221 VanDerWaalsContact C-N 3.28Å; V219-K221 PolarHBondContact O-N 3.38Å |
| 222 | Y | 98.2 | Very high | 98 | Very high | 20 Ų | 20 | 27.9 Ų | 27.9 | 8% | 0.078 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -109.3 | -16.4 | -162.4 | -59.4 | -61.1 | 0 | 0 | 0 | 114 | L123 V131 L175 V218 T226 | L123-Y222 HydrophobicContact CD2-CE2 4.41Å; V131-Y222 HydrophobicContact CB-CD1 3.68Å; V131-Y222 HydrophobicContact CB-CD2 3.98Å; V131-Y222 HydrophobicContact CB-CE1 3.68Å; V131-Y222 HydrophobicContact CB-CE2 3.99Å; V131-Y222 HydrophobicContact CB-CG 3.81Å; V131-Y222 HydrophobicContact CG1-CD2 4.42Å; V131-Y222 HydrophobicContact CG1-CE2 4.45Å; V131-Y222 HydrophobicContact CG2-CD1 4.04Å; V131-Y222 HydrophobicContact CG2-CE1 3.49Å; V131-Y222 VanDerWaalsContact CG2-CE1 3.49Å; V131-Y222 HydrophobicContact CG2-CE2 4.08Å; L175-Y222 HydrophobicContact CD2-CE2 3.92Å; V218-Y222 HydrophobicContact CG1-CD2 4.18Å; V218-Y222 WeakPolarHBondContact O-CB 3.44Å; V218-Y222 WeakPolarHBondContact O-CD2 3.42Å; V218-Y222 PolarHBondContact O-N 2.8Å; Y222-T226 VanDerWaalsContact C-OG1 3.29Å; Y222-T226 WeakPolarHBondContact CB-OG1 2.98Å; Y222-T226 PolarHBondContact O-OG1 2.94Å |
| 223 | G | 97.1 | Very high | 97.9 | Very high | 24 Ų | 24 | 26.1 Ų | 26.1 | 25% | 0.247 | 13% | 0.132 | C | C | . | . | trans | 112.5 | 159.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V219 D225 T226 | V219-G223 CarbonylContact O-C 3.58Å; V219-G223 VanDerWaalsContact O-CA 3.27Å; V219-G223 WeakPolarHBondContact O-CA 3.29Å; V219-G223 PolarHBondContact O-N 3.09Å; G223-D225 PolarHBondContact O-N 3.28Å; G223-T226 VanDerWaalsContact O-CB 3.27Å; G223-T226 WeakPolarHBondContact O-CB 3.23Å; G223-T226 PolarHBondContact O-N 3.26Å; G223-T226 VanDerWaalsContact O-N 3.09Å; G223-T226 PolarHBondContact O-OG1 3.11Å | ||
| 224 | Q | 96.8 | Very high | 97.4 | Very high | 64 Ų | 64 | 24.8 Ų | 24.8 | 30% | 0.299 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -20.8 | -175.6 | -172.2 | 64.1 | 51.1 | 0 | 0 | 114.1 | V219 T226 K248 R459 | V219-Q224 HydrophobicContact CG1-CB 4.3Å; Q224-T226 VanDerWaalsContact C-N 3.35Å; Q224-K248 PolarHBondContact NE2-O 3.41Å; Q224-R459 HydrophobicContact CG-CB 4.41Å; Q224-R459 HydrophobicContact CG-CG 4.06Å |
| 225 | D | 96.6 | Very high | 96.6 | Very high | 76 Ų | 76 | 28.5 Ų | 28.5 | 41% | 0.406 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 4.4 | 176.2 | 59.9 | -28.6 | 0 | 0 | 0 | 113.2 | G223 L227 | G223-D225 PolarHBondContact O-N 3.28Å; D225-L227 PolarHBondContact O-N 2.86Å |
| 226 | T | 98.6 | Very high | 96 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | trans | -65.3 | 119.2 | 172 | -53.5 | 0 | 0 | 0 | 0 | 109.8 | V131 V134 V218 Y222 G223 Q224 I228 | V131-T226 HydrophobicContact CG1-CG2 4.5Å; V134-T226 HydrophobicContact CG2-CG2 4.05Å; V218-T226 HydrophobicContact CG1-CG2 3.9Å; Y222-T226 VanDerWaalsContact C-OG1 3.29Å; Y222-T226 WeakPolarHBondContact CB-OG1 2.98Å; Y222-T226 PolarHBondContact O-OG1 2.94Å; G223-T226 VanDerWaalsContact O-CB 3.27Å; G223-T226 WeakPolarHBondContact O-CB 3.23Å; G223-T226 PolarHBondContact O-N 3.26Å; G223-T226 VanDerWaalsContact O-N 3.09Å; G223-T226 PolarHBondContact O-OG1 3.11Å; Q224-T226 VanDerWaalsContact C-N 3.35Å; T226-I228 PolarHBondContact O-N 3.3Å | ||
| 227 | L | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 126.4 | 176.3 | 175.2 | 60.3 | 0 | 0 | 0 | 110.4 | A132 A133 V134 Y163 D225 C250 F252 A450 V453 I454 I461 | A132-L227 WeakPolarHBondContact O-CB 3.45Å; A132-L227 PolarHBondContact O-N 3.46Å; A133-L227 CarbonylContact C-O 3.57Å; V134-L227 PolarHBondContact N-O 3.25Å; Y163-L227 HydrophobicContact CE1-CD2 4Å; D225-L227 PolarHBondContact O-N 2.86Å; L227-C250 CarbonylContact C-O 3.57Å; L227-C250 WeakPolarHBondContact CA-O 3.36Å; L227-F252 HydrophobicContact CD1-CD1 3.77Å; L227-F252 HydrophobicContact CD1-CE1 3.83Å; L227-F252 HydrophobicContact CD2-CE1 4.24Å; L227-F252 HydrophobicContact CG-CE1 4.42Å; L227-A450 HydrophobicContact CD2-CB 3.46Å; L227-A450 VanDerWaalsContact CD2-CB 3.46Å; L227-V453 HydrophobicContact CD1-CG1 4.28Å; L227-I454 HydrophobicContact CB-CG1 4.28Å; L227-I454 HydrophobicContact CD2-CD1 4.23Å; L227-I454 HydrophobicContact CD2-CG1 4.42Å; L227-I461 HydrophobicContact CD1-CD1 3.61Å |
| 228 | I | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 104.4 | 173.5 | -54.7 | 170.3 | 0 | 0 | 0 | 109 | V134 V136 F214 M215 V218 V219 T226 F230 C250 T251 F252 | V134-I228 HydrophobicContact CB-CG1 4.4Å; V136-I228 HydrophobicContact CG1-CG2 4.1Å; F214-I228 HydrophobicContact CE1-CG2 4.18Å; M215-I228 HydrophobicContact CE-CB 4.27Å; M215-I228 HydrophobicContact CE-CD1 3.63Å; M215-I228 HydrophobicContact CE-CG2 4.2Å; M215-I228 HydrophobicContact SD-CD1 3.84Å; M215-I228 HydrophobicContact SD-CG2 3.91Å; V218-I228 HydrophobicContact CB-CD1 4.07Å; V218-I228 HydrophobicContact CG1-CD1 3.65Å; V218-I228 HydrophobicContact CG1-CG1 3.92Å; V219-I228 HydrophobicContact CG2-CD1 4.47Å; T226-I228 PolarHBondContact O-N 3.3Å; I228-F230 HydrophobicContact CG2-CE2 4.18Å; I228-C250 PolarHBondContact N-O 2.53Å; I228-T251 WeakPolarHBondContact O-CA 3.38Å; I228-T251 WeakPolarHBondContact O-CB 3.21Å; I228-T251 PolarHBondContact O-OG1 3.18Å; I228-F252 PolarHBondContact O-N 3.46Å |
| 229 | Q | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.4 | 174.8 | 176.7 | -177.5 | -40.1 | 0 | 0 | 110.6 | V134 V135 V136 Y163 E231 F252 D254 | V134-Q229 PolarHBondContact O-N 3.41Å; V135-Q229 WeakPolarHBondContact CA-O 3.49Å; V135-Q229 HydrophobicContact CG2-CB 4.19Å; V136-Q229 WeakPolarHBondContact CG1-O 3.4Å; V136-Q229 PolarHBondContact N-O 2.67Å; Y163-Q229 VanDerWaalsContact CZ-OE1 3.28Å; Y163-Q229 PolarHBondContact OH-OE1 2.97Å; Q229-E231 PolarHBondContact NE2-OE2 2.91Å; Q229-F252 WeakPolarHBondContact CA-O 3.2Å; Q229-F252 HydrophobicContact CB-CD1 4.49Å; Q229-F252 HydrophobicContact CB-CE1 4.03Å; Q229-F252 HydrophobicContact CB-CZ 4.14Å; Q229-F252 HydrophobicContact CG-CD2 4.48Å; Q229-F252 HydrophobicContact CG-CE1 4.18Å; Q229-F252 HydrophobicContact CG-CE2 3.96Å; Q229-F252 HydrophobicContact CG-CZ 3.8Å; Q229-D254 HydrophobicContact CG-CB 4.36Å |
| 230 | F | 98.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 137.6 | 168.3 | -72.8 | -105.9 | 0 | 0 | 0 | 110.3 | V136 I211 M215 I228 F233 F241 Y245 T251 F252 N253 D254 | V136-F230 HydrophobicContact CG1-CD1 4.29Å; V136-F230 HydrophobicContact CG1-CE1 4.45Å; V136-F230 HydrophobicContact CG1-CG 4.32Å; I211-F230 HydrophobicContact CG2-CE1 4.39Å; I211-F230 HydrophobicContact CG2-CZ 4.4Å; M215-F230 HydrophobicContact CE-CE2 4.07Å; M215-F230 HydrophobicContact CE-CZ 4.36Å; M215-F230 HydrophobicContact SD-CE2 3.9Å; M215-F230 HydrophobicContact SD-CZ 3.7Å; I228-F230 HydrophobicContact CG2-CE2 4.18Å; F230-F233 HydrophobicContact CB-CD2 4.04Å; F230-F233 HydrophobicContact CB-CE2 3.97Å; F230-F233 AromaticContact CD1-CD2 3.83Å; F230-F233 HydrophobicContact CD1-CD2 3.83Å; F230-F233 HydrophobicContact CD1-CE1 4.1Å; F230-F233 AromaticContact CD1-CE2 3.34Å; F230-F233 HydrophobicContact CD1-CE2 3.34Å; F230-F233 HydrophobicContact CD1-CG 4.39Å; F230-F233 AromaticContact CD1-CZ 3.51Å; F230-F233 HydrophobicContact CD1-CZ 3.51Å; F230-F233 HydrophobicContact CE1-CE1 4.34Å; F230-F233 HydrophobicContact CE1-CE2 4.2Å; F230-F233 AromaticContact CE1-CZ 3.9Å; F230-F233 HydrophobicContact CE1-CZ 3.9Å; F230-F233 HydrophobicContact CG-CD2 4.44Å; F230-F233 HydrophobicContact CG-CE2 4.05Å; F230-F241 HydrophobicContact CD1-CB 4.41Å; F230-F241 HydrophobicContact CE1-CB 3.98Å; F230-F241 HydrophobicContact CE1-CD2 4.19Å; F230-F241 HydrophobicContact CE1-CG 4.32Å; F230-F241 HydrophobicContact CZ-CB 4.35Å; F230-Y245 HydrophobicContact CE2-CD2 4.38Å; F230-Y245 AromaticContact CZ-CD2 3.91Å; F230-Y245 HydrophobicContact CZ-CD2 3.91Å; F230-Y245 HydrophobicContact CZ-CE2 4.25Å; F230-T251 WeakPolarHBondContact CD2-OG1 3.43Å; F230-T251 WeakPolarHBondContact CE2-OG1 3.41Å; F230-F252 PolarHBondContact N-O 2.85Å; F230-N253 HydrophobicContact CB-CB 4.14Å; F230-N253 WeakPolarHBondContact O-CA 3.28Å; F230-N253 PolarHBondContact O-ND2 3.27Å; F230-D254 PolarHBondContact O-N 3.5Å |
| 231 | E | 97.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | trans | -141.8 | 137.6 | -178.2 | -168.1 | 74.4 | -171.7 | 0 | 0 | 111.5 | Y88 V135 V136 T137 I155 K159 Q229 F233 D254 | Y88-E231 PolarHBondContact OH-OE1 3.39Å; V135-E231 HydrophobicContact CG1-CB 4.09Å; V136-E231 PolarHBondContact O-N 3.39Å; T137-E231 WeakPolarHBondContact CA-O 3.27Å; T137-E231 WeakPolarHBondContact CB-O 3.47Å; T137-E231 PolarHBondContact OG1-O 3.39Å; I155-E231 HydrophobicContact CG2-CG 3.55Å; K159-E231 WeakPolarHBondContact CE-OE1 3.34Å; K159-E231 WeakPolarHBondContact CE-OE2 3.22Å; K159-E231 IonicContact NZ-OE1 3.47Å; K159-E231 PolarHBondContact NZ-OE1 3.36Å; K159-E231 VanDerWaalsContact NZ-OE1 3.1Å; K159-E231 IonicContact NZ-OE2 2.77Å; Q229-E231 PolarHBondContact NE2-OE2 2.91Å; E231-F233 VanDerWaalsContact C-N 3.26Å; E231-F233 VanDerWaalsContact O-CD2 3.26Å; E231-F233 WeakPolarHBondContact O-CD2 3.41Å; E231-F233 PolarHBondContact O-N 3.1Å; E231-D254 VanDerWaalsContact OE2-CB 3.29Å; E231-D254 WeakPolarHBondContact OE2-CB 3.42Å | ||
| 232 | D | 94.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 55.6 | 33.5 | 169.9 | -76.8 | -19.9 | 0 | 0 | 0 | 114.9 | R141 I142 L143 I155 D255 | R141-D232 CarbonylContact C-O 3.56Å; R141-D232 PolarHBondContact N-O 3.46Å; I142-D232 WeakPolarHBondContact CA-OD2 3.36Å; I142-D232 HydrophobicContact CD1-CB 3.73Å; L143-D232 PolarHBondContact N-OD1 3.06Å; I155-D232 WeakPolarHBondContact CG2-OD2 3.47Å; D232-D255 PolarHBondContact N-OD2 3.48Å |
| 233 | F | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -78.3 | 155.5 | 171.3 | -78.1 | -101.9 | 0 | 0 | 0 | 111.5 | V136 D138 R141 Y207 F230 E231 A238 F241 | V136-F233 HydrophobicContact CG1-CE2 4.34Å; V136-F233 HydrophobicContact CG1-CZ 4.42Å; V136-F233 HydrophobicContact CG2-CZ 4.41Å; V136-F233 WeakPolarHBondContact O-CE2 3.27Å; D138-F233 HydrophobicContact CB-CD1 3.96Å; D138-F233 HydrophobicContact CB-CE1 3.71Å; D138-F233 HydrophobicContact CB-CZ 4.32Å; D138-F233 WeakPolarHBondContact OD2-CD1 3.33Å; R141-F233 WeakPolarHBondContact CB-O 3.23Å; Y207-F233 WeakPolarHBondContact OH-CE1 3.48Å; F230-F233 HydrophobicContact CB-CD2 4.04Å; F230-F233 HydrophobicContact CB-CE2 3.97Å; F230-F233 AromaticContact CD1-CD2 3.83Å; F230-F233 HydrophobicContact CD1-CD2 3.83Å; F230-F233 HydrophobicContact CD1-CE1 4.1Å; F230-F233 AromaticContact CD1-CE2 3.34Å; F230-F233 HydrophobicContact CD1-CE2 3.34Å; F230-F233 HydrophobicContact CD1-CG 4.39Å; F230-F233 AromaticContact CD1-CZ 3.51Å; F230-F233 HydrophobicContact CD1-CZ 3.51Å; F230-F233 HydrophobicContact CE1-CE1 4.34Å; F230-F233 HydrophobicContact CE1-CE2 4.2Å; F230-F233 AromaticContact CE1-CZ 3.9Å; F230-F233 HydrophobicContact CE1-CZ 3.9Å; F230-F233 HydrophobicContact CG-CD2 4.44Å; F230-F233 HydrophobicContact CG-CE2 4.05Å; E231-F233 VanDerWaalsContact C-N 3.26Å; E231-F233 VanDerWaalsContact O-CD2 3.26Å; E231-F233 WeakPolarHBondContact O-CD2 3.41Å; E231-F233 PolarHBondContact O-N 3.1Å; F233-A238 HydrophobicContact CB-CB 3.75Å; F233-F241 HydrophobicContact CD1-CD2 4.18Å; F233-F241 HydrophobicContact CD1-CE2 4.19Å; F233-F241 HydrophobicContact CE1-CD2 4.31Å; F233-F241 HydrophobicContact CE1-CE2 4.24Å | ||
| 234 | G | 89.6 | Confident | 94.2 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 7% | 0.072 | 16% | 0.158 | C | C | . | . | trans | -59.9 | 144.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E140 H236 N237 A238 | E140-G234 WeakPolarHBondContact OE2-CA 3.27Å; E140-G234 PolarHBondContact OE2-N 2.82Å; G234-H236 PolarHBondContact O-N 3.43Å; G234-N237 WeakPolarHBondContact O-CA 3.29Å; G234-N237 WeakPolarHBondContact O-CB 3.4Å; G234-N237 PolarHBondContact O-N 3.28Å; G234-A238 PolarHBondContact O-N 3.42Å | ||
| 235 | N | 81.9 | Confident | 94.3 | Very high | 78 Ų | 78 | 31.8 Ų | 31.8 | 42% | 0.417 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -47.5 | -41.7 | -170.6 | -77.6 | -11.3 | 0 | 0 | 0 | 115.2 | R141 E290 | R141-N235 WeakPolarHBondContact CD-OD1 3.36Å; R141-N235 PolarHBondContact NE-OD1 3.3Å; R141-N235 VanDerWaalsContact NE-OD1 3.14Å; R141-N235 PolarHBondContact NH1-OD1 2.83Å; N235-E290 WeakPolarHBondContact CA-OE1 3.37Å; N235-E290 VanDerWaalsContact O-OE1 3.07Å |
| 236 | H | 84.8 | Confident | 94.2 | Very high | 135 Ų | 135 | 30.1 Ų | 30.1 | 63% | 0.625 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -70.7 | -39.8 | -179.6 | -177.9 | 74.3 | 0 | 0 | 0 | 111.5 | G234 R240 | G234-H236 PolarHBondContact O-N 3.43Å; H236-R240 WeakPolarHBondContact O-CB 3.15Å; H236-R240 PolarHBondContact O-N 3.3Å |
| 237 | N | 92.3 | Very high | 94.1 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 5% | 0.048 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -75.7 | -40.9 | -175.6 | -72.9 | -38.2 | 0 | 0 | 0 | 112.1 | E140 G234 F239 R240 F241 | E140-N237 PolarHBondContact OE2-ND2 3.48Å; E140-N237 VanDerWaalsContact OE2-ND2 3.15Å; G234-N237 WeakPolarHBondContact O-CA 3.29Å; G234-N237 WeakPolarHBondContact O-CB 3.4Å; G234-N237 PolarHBondContact O-N 3.28Å; N237-F239 PolarHBondContact O-N 2.62Å; N237-R240 PolarHBondContact O-N 2.96Å; N237-R240 PolarHBondContact OD1-NE 3.04Å; N237-R240 PolarHBondContact OD1-NH2 3.36Å; N237-F241 HydrophobicContact CB-CD2 4.01Å; N237-F241 HydrophobicContact CB-CE2 3.71Å; N237-F241 HydrophobicContact CB-CZ 4.48Å; N237-F241 WeakPolarHBondContact O-CB 3.47Å; N237-F241 WeakPolarHBondContact O-CD2 3.35Å; N237-F241 VanDerWaalsContact O-CG 3.29Å; N237-F241 WeakPolarHBondContact O-CG 3.3Å; N237-F241 PolarHBondContact O-N 2.93Å |
| 238 | A | 91.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.4 | -45.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | F233 G234 R240 L242 I256 E290 | F233-A238 HydrophobicContact CB-CB 3.75Å; G234-A238 PolarHBondContact O-N 3.42Å; A238-R240 PolarHBondContact O-N 2.92Å; A238-L242 WeakPolarHBondContact O-CB 3.33Å; A238-L242 PolarHBondContact O-N 3.06Å; A238-I256 HydrophobicContact CB-CD1 4.18Å; A238-E290 WeakPolarHBondContact CB-OE1 3.38Å |
| 239 | F | 88.9 | Confident | 93.9 | Very high | 33 Ų | 33 | 43.7 Ų | 43.7 | 15% | 0.145 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 172.3 | -86.1 | -60.4 | 0 | 0 | 0 | 113.5 | N237 R243 I256 E290 L293 | N237-F239 PolarHBondContact O-N 2.62Å; F239-R243 WeakPolarHBondContact O-CB 3.37Å; F239-R243 PolarHBondContact O-N 2.89Å; F239-I256 HydrophobicContact CD1-CD1 3.7Å; F239-I256 HydrophobicContact CE1-CD1 3.84Å; F239-I256 HydrophobicContact CE1-CG1 4.2Å; F239-I256 HydrophobicContact CE1-CG2 3.98Å; F239-I256 HydrophobicContact CG-CD1 4.04Å; F239-I256 HydrophobicContact CZ-CD1 4.33Å; F239-I256 HydrophobicContact CZ-CG1 4.37Å; F239-E290 HydrophobicContact CD2-CG 3.71Å; F239-E290 VanDerWaalsContact CE2-CA 3.46Å; F239-E290 HydrophobicContact CE2-CB 4.01Å; F239-E290 HydrophobicContact CE2-CG 3.39Å; F239-E290 HydrophobicContact CZ-CB 4.27Å; F239-E290 HydrophobicContact CZ-CG 4.05Å; F239-L293 HydrophobicContact CE2-CD1 3.85Å; F239-L293 HydrophobicContact CZ-CB 3.84Å; F239-L293 HydrophobicContact CZ-CD1 3.77Å; F239-L293 HydrophobicContact CZ-CG 4.46Å |
| 240 | R | 92.7 | Very high | 93.9 | Very high | 70 Ų | 70 | 43.7 Ų | 43.7 | 26% | 0.264 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.8 | -46.4 | -177.2 | -177.5 | 173.7 | 69.5 | 90.3 | -5.6 | 111.1 | N208 H236 N237 A238 K244 | N208-R240 PolarHBondContact OD1-NH1 3.29Å; N208-R240 PolarHBondContact OD1-NH2 3.13Å; H236-R240 WeakPolarHBondContact O-CB 3.15Å; H236-R240 PolarHBondContact O-N 3.3Å; N237-R240 PolarHBondContact O-N 2.96Å; N237-R240 PolarHBondContact OD1-NE 3.04Å; N237-R240 PolarHBondContact OD1-NH2 3.36Å; A238-R240 PolarHBondContact O-N 2.92Å; R240-K244 VanDerWaalsContact O-CB 3.31Å; R240-K244 WeakPolarHBondContact O-CB 3.33Å; R240-K244 PolarHBondContact O-N 2.9Å |
| 241 | F | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70 | -42.7 | 177.8 | -65.2 | -38.2 | 0 | 0 | 0 | 111.9 | Y207 I211 F230 F233 N237 R243 K244 Y245 | Y207-F241 HydrophobicContact CD1-CZ 4.36Å; Y207-F241 HydrophobicContact CE1-CE2 4Å; Y207-F241 AromaticContact CE1-CZ 3.85Å; Y207-F241 HydrophobicContact CE1-CZ 3.85Å; Y207-F241 HydrophobicContact CE2-CZ 4.48Å; Y207-F241 AromaticContact CZ-CE2 3.83Å; Y207-F241 AromaticContact CZ-CZ 3.93Å; I211-F241 HydrophobicContact CB-CE1 4.16Å; I211-F241 HydrophobicContact CB-CZ 4.27Å; I211-F241 HydrophobicContact CG1-CE1 3.93Å; I211-F241 HydrophobicContact CG1-CE2 3.97Å; I211-F241 HydrophobicContact CG1-CZ 3.53Å; I211-F241 HydrophobicContact CG2-CD1 4.26Å; I211-F241 HydrophobicContact CG2-CE1 4.22Å; I211-F241 HydrophobicContact CG2-CZ 4.47Å; F230-F241 HydrophobicContact CD1-CB 4.41Å; F230-F241 HydrophobicContact CE1-CB 3.98Å; F230-F241 HydrophobicContact CE1-CD2 4.19Å; F230-F241 HydrophobicContact CE1-CG 4.32Å; F230-F241 HydrophobicContact CZ-CB 4.35Å; F233-F241 HydrophobicContact CD1-CD2 4.18Å; F233-F241 HydrophobicContact CD1-CE2 4.19Å; F233-F241 HydrophobicContact CE1-CD2 4.31Å; F233-F241 HydrophobicContact CE1-CE2 4.24Å; N237-F241 HydrophobicContact CB-CD2 4.01Å; N237-F241 HydrophobicContact CB-CE2 3.71Å; N237-F241 HydrophobicContact CB-CZ 4.48Å; N237-F241 WeakPolarHBondContact O-CB 3.47Å; N237-F241 WeakPolarHBondContact O-CD2 3.35Å; N237-F241 VanDerWaalsContact O-CG 3.29Å; N237-F241 WeakPolarHBondContact O-CG 3.3Å; N237-F241 PolarHBondContact O-N 2.93Å; F241-R243 VanDerWaalsContact C-N 3.32Å; F241-R243 PolarHBondContact O-N 2.77Å; F241-K244 PolarHBondContact O-N 2.79Å; F241-K244 VanDerWaalsContact O-N 3.13Å; F241-Y245 HydrophobicContact CB-CD2 3.87Å; F241-Y245 HydrophobicContact CB-CE2 3.8Å; F241-Y245 HydrophobicContact CD1-CD2 4.49Å; F241-Y245 AromaticContact CD1-CE2 3.61Å; F241-Y245 HydrophobicContact CD1-CE2 3.61Å; F241-Y245 HydrophobicContact CE1-CE2 4.5Å; F241-Y245 AromaticContact CG-CE2 3.97Å; F241-Y245 HydrophobicContact CG-CE2 3.97Å; F241-Y245 WeakPolarHBondContact O-CB 3.22Å; F241-Y245 WeakPolarHBondContact O-CD2 3.17Å; F241-Y245 PolarHBondContact O-N 3.47Å |
| 242 | L | 95.4 | Very high | 93.9 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.6 | -49.1 | 174 | 177.9 | 60.4 | 0 | 0 | 0 | 110.9 | A238 K244 Y245 R246 N253 I256 Q257 | A238-L242 WeakPolarHBondContact O-CB 3.33Å; A238-L242 PolarHBondContact O-N 3.06Å; L242-K244 VanDerWaalsContact C-N 3.34Å; L242-K244 PolarHBondContact O-N 3.41Å; L242-Y245 PolarHBondContact O-N 3.43Å; L242-R246 HydrophobicContact CD1-CB 4.16Å; L242-R246 WeakPolarHBondContact O-CB 3.29Å; L242-R246 WeakPolarHBondContact O-CG 3.43Å; L242-R246 PolarHBondContact O-N 3.02Å; L242-N253 HydrophobicContact CD2-CB 4.4Å; L242-I256 HydrophobicContact CD2-CB 4.31Å; L242-I256 HydrophobicContact CD2-CD1 3.91Å; L242-I256 HydrophobicContact CD2-CG2 4.03Å; L242-Q257 HydrophobicContact CD2-CG 4.14Å |
| 243 | R | 93.6 | Very high | 94.1 | Very high | 167 Ų | 167 | 43.4 Ų | 43.4 | 63% | 0.63 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -61.8 | -40.4 | 177.5 | -172.8 | -176.6 | -63.5 | -176.4 | 0.1 | 112.4 | F239 F241 N337 | F239-R243 WeakPolarHBondContact O-CB 3.37Å; F239-R243 PolarHBondContact O-N 2.89Å; F241-R243 VanDerWaalsContact C-N 3.32Å; F241-R243 PolarHBondContact O-N 2.77Å; R243-N337 PolarHBondContact NH2-OD1 3.34Å |
| 244 | K | 97.1 | Very high | 94.2 | Very high | 69 Ų | 69 | 43.4 Ų | 43.4 | 30% | 0.3 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.9 | -36.5 | -177.5 | -173.3 | 176.4 | 179 | -171.6 | 0 | 112.6 | D212 R240 F241 L242 | D212-K244 WeakPolarHBondContact OD1-CE 3.36Å; D212-K244 IonicContact OD1-NZ 3.45Å; D212-K244 PolarHBondContact OD1-NZ 2.99Å; D212-K244 IonicContact OD2-NZ 2.97Å; D212-K244 PolarHBondContact OD2-NZ 3.43Å; R240-K244 VanDerWaalsContact O-CB 3.31Å; R240-K244 WeakPolarHBondContact O-CB 3.33Å; R240-K244 PolarHBondContact O-N 2.9Å; F241-K244 PolarHBondContact O-N 2.79Å; F241-K244 VanDerWaalsContact O-N 3.13Å; L242-K244 VanDerWaalsContact C-N 3.34Å; L242-K244 PolarHBondContact O-N 3.41Å |
| 245 | Y | 98.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -108.7 | -22.1 | -166.8 | -60.7 | -51.8 | 0 | 0 | 0 | 115.2 | I211 D212 M215 F230 F241 L242 E247 K248 Y249 | I211-Y245 HydrophobicContact CG2-CE2 3.46Å; I211-Y245 VanDerWaalsContact CG2-CE2 3.46Å; I211-Y245 VanDerWaalsContact CG2-OH 3.3Å; I211-Y245 WeakPolarHBondContact CG2-OH 3.43Å; D212-Y245 VanDerWaalsContact OD1-CE1 3.25Å; D212-Y245 WeakPolarHBondContact OD1-CE1 3.47Å; D212-Y245 VanDerWaalsContact OD1-CZ 3.31Å; D212-Y245 PolarHBondContact OD1-OH 2.8Å; M215-Y245 HydrophobicContact CE-CD2 4.43Å; M215-Y245 HydrophobicContact CE-CG 4.1Å; M215-Y245 HydrophobicContact CG-CD1 4.13Å; M215-Y245 HydrophobicContact CG-CD2 4.3Å; M215-Y245 HydrophobicContact CG-CE1 4.02Å; M215-Y245 HydrophobicContact CG-CE2 4.23Å; M215-Y245 HydrophobicContact CG-CG 4.29Å; F230-Y245 HydrophobicContact CE2-CD2 4.38Å; F230-Y245 AromaticContact CZ-CD2 3.91Å; F230-Y245 HydrophobicContact CZ-CD2 3.91Å; F230-Y245 HydrophobicContact CZ-CE2 4.25Å; F241-Y245 HydrophobicContact CB-CD2 3.87Å; F241-Y245 HydrophobicContact CB-CE2 3.8Å; F241-Y245 HydrophobicContact CD1-CD2 4.49Å; F241-Y245 AromaticContact CD1-CE2 3.61Å; F241-Y245 HydrophobicContact CD1-CE2 3.61Å; F241-Y245 HydrophobicContact CE1-CE2 4.5Å; F241-Y245 AromaticContact CG-CE2 3.97Å; F241-Y245 HydrophobicContact CG-CE2 3.97Å; F241-Y245 WeakPolarHBondContact O-CB 3.22Å; F241-Y245 WeakPolarHBondContact O-CD2 3.17Å; F241-Y245 PolarHBondContact O-N 3.47Å; L242-Y245 PolarHBondContact O-N 3.43Å; Y245-E247 PolarHBondContact O-N 2.99Å; Y245-E247 VanDerWaalsContact O-N 3.12Å; Y245-K248 PolarHBondContact O-N 3.31Å; Y245-Y249 AromaticContact CD1-CD2 3.78Å; Y245-Y249 HydrophobicContact CD1-CD2 3.78Å; Y245-Y249 AromaticContact CD1-CE2 3.77Å; Y245-Y249 HydrophobicContact CD1-CE2 3.77Å; Y245-Y249 HydrophobicContact CE1-CE2 4.35Å; Y245-Y249 HydrophobicContact CG-CD2 4.2Å; Y245-Y249 PolarHBondContact O-N 2.84Å |
| 246 | R | 95.6 | Very high | 94.8 | Very high | 42 Ų | 42 | 40.3 Ų | 40.3 | 16% | 0.158 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -32.4 | -174.5 | 64.9 | -176.6 | -61.8 | 160.7 | 21.9 | 115.3 | L242 D463 | L242-R246 HydrophobicContact CD1-CB 4.16Å; L242-R246 WeakPolarHBondContact O-CB 3.29Å; L242-R246 WeakPolarHBondContact O-CG 3.43Å; L242-R246 PolarHBondContact O-N 3.02Å; R246-D463 IonicContact CZ-OD1 3.74Å; R246-D463 IonicContact CZ-OD2 3.3Å; R246-D463 IonicContact NH1-OD1 3.53Å; R246-D463 IonicContact NH1-OD2 3.62Å; R246-D463 PolarHBondContact NH1-OD2 2.75Å; R246-D463 IonicContact NH2-OD1 2.73Å; R246-D463 PolarHBondContact NH2-OD1 3.28Å; R246-D463 IonicContact NH2-OD2 2.88Å; R246-D463 PolarHBondContact NH2-OD2 3.17Å; R246-D463 VanDerWaalsContact NH2-OD2 3.1Å |
| 247 | E | 95.1 | Very high | 95.4 | Very high | 129 Ų | 129 | 34.2 Ų | 34.2 | 60% | 0.603 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -0.7 | 179.1 | -56.7 | -53 | 138.7 | 0 | 0 | 113.4 | Y245 H460 | Y245-E247 PolarHBondContact O-N 2.99Å; Y245-E247 VanDerWaalsContact O-N 3.12Å; E247-H460 PolarHBondContact O-CE1 3.36Å; E247-H460 PolarHBondContact O-ND1 3.01Å |
| 248 | K | 96.1 | Very high | 95.6 | Very high | 130 Ų | 130 | 33.8 Ų | 33.8 | 57% | 0.565 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -30.4 | -177 | -65.9 | -174.2 | -179.3 | -175.5 | 0 | 113.3 | Q224 Y245 H460 | Q224-K248 PolarHBondContact NE2-O 3.41Å; Y245-K248 PolarHBondContact O-N 3.31Å; K248-H460 VanDerWaalsContact C-CE1 3.47Å |
| 249 | Y | 98.4 | Very high | 95.8 | Very high | 27 Ų | 27 | 34.8 Ų | 34.8 | 11% | 0.106 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -131.5 | 160.8 | -173.3 | -61.9 | -63.9 | 0 | 0 | 0 | 111.1 | M215 E216 V219 Y245 T251 R459 | M215-Y249 HydrophobicContact CB-CD2 3.96Å; M215-Y249 HydrophobicContact CB-CE1 4.42Å; M215-Y249 HydrophobicContact CB-CE2 3.5Å; M215-Y249 HydrophobicContact CE-CD2 3.5Å; M215-Y249 VanDerWaalsContact CE-CD2 3.5Å; M215-Y249 HydrophobicContact CE-CE2 4.27Å; M215-Y249 HydrophobicContact CE-CG 3.7Å; M215-Y249 HydrophobicContact CG-CD2 4.37Å; M215-Y249 HydrophobicContact CG-CE2 4.25Å; E216-Y249 WeakPolarHBondContact CG-OH 3.2Å; V219-Y249 HydrophobicContact CB-CD1 4.47Å; V219-Y249 HydrophobicContact CB-CE1 4.25Å; V219-Y249 HydrophobicContact CG2-CD1 3.67Å; V219-Y249 HydrophobicContact CG2-CE1 3.91Å; Y245-Y249 AromaticContact CD1-CD2 3.78Å; Y245-Y249 HydrophobicContact CD1-CD2 3.78Å; Y245-Y249 AromaticContact CD1-CE2 3.77Å; Y245-Y249 HydrophobicContact CD1-CE2 3.77Å; Y245-Y249 HydrophobicContact CE1-CE2 4.35Å; Y245-Y249 HydrophobicContact CG-CD2 4.2Å; Y245-Y249 PolarHBondContact O-N 2.84Å; Y249-T251 VanDerWaalsContact C-N 3.25Å; Y249-T251 PolarHBondContact O-N 3.38Å; Y249-R459 CarbonylContact C-O 3.58Å |
| 250 | C | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -77.9 | 81.5 | 171.8 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | L227 I228 V453 V458 R459 | L227-C250 CarbonylContact C-O 3.57Å; L227-C250 WeakPolarHBondContact CA-O 3.36Å; I228-C250 PolarHBondContact N-O 2.53Å; C250-V453 WeakPolarHBondContact SG-CG1 3.31Å; C250-V458 PolarHBondContact SG-O 3.47Å; C250-R459 WeakPolarHBondContact CA-O 3.33Å; C250-R459 PolarHBondContact N-O 3Å |
| 251 | T | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 149.8 | -170.5 | -172.3 | 0 | 0 | 0 | 0 | 112.7 | M215 I228 F230 Y249 | M215-T251 HydrophobicContact CE-CG2 4.39Å; I228-T251 WeakPolarHBondContact O-CA 3.38Å; I228-T251 WeakPolarHBondContact O-CB 3.21Å; I228-T251 PolarHBondContact O-OG1 3.18Å; F230-T251 WeakPolarHBondContact CD2-OG1 3.43Å; F230-T251 WeakPolarHBondContact CE2-OG1 3.41Å; Y249-T251 VanDerWaalsContact C-N 3.25Å; Y249-T251 PolarHBondContact O-N 3.38Å |
| 252 | F | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 166.8 | 170.3 | 77.3 | -87.8 | 0 | 0 | 0 | 109.5 | L227 I228 Q229 F230 D254 Q257 F446 I461 F466 | L227-F252 HydrophobicContact CD1-CD1 3.77Å; L227-F252 HydrophobicContact CD1-CE1 3.83Å; L227-F252 HydrophobicContact CD2-CE1 4.24Å; L227-F252 HydrophobicContact CG-CE1 4.42Å; I228-F252 PolarHBondContact O-N 3.46Å; Q229-F252 WeakPolarHBondContact CA-O 3.2Å; Q229-F252 HydrophobicContact CB-CD1 4.49Å; Q229-F252 HydrophobicContact CB-CE1 4.03Å; Q229-F252 HydrophobicContact CB-CZ 4.14Å; Q229-F252 HydrophobicContact CG-CD2 4.48Å; Q229-F252 HydrophobicContact CG-CE1 4.18Å; Q229-F252 HydrophobicContact CG-CE2 3.96Å; Q229-F252 HydrophobicContact CG-CZ 3.8Å; F230-F252 PolarHBondContact N-O 2.85Å; F252-D254 HydrophobicContact CE2-CB 3.95Å; F252-Q257 VanDerWaalsContact CA-OE1 3.25Å; F252-F446 HydrophobicContact CE2-CB 4.45Å; F252-F446 HydrophobicContact CZ-CB 4.16Å; F252-I461 HydrophobicContact CB-CD1 4.26Å; F252-I461 HydrophobicContact CD1-CD1 3.76Å; F252-I461 HydrophobicContact CG-CD1 4.46Å; F252-F466 HydrophobicContact CB-CE2 3.96Å; F252-F466 HydrophobicContact CB-CZ 3.7Å; F252-F466 HydrophobicContact CD1-CZ 4.35Å; F252-F466 HydrophobicContact CD2-CE1 4.05Å; F252-F466 HydrophobicContact CD2-CE2 4.47Å; F252-F466 AromaticContact CD2-CZ 3.47Å; F252-F466 HydrophobicContact CD2-CZ 3.47Å; F252-F466 VanDerWaalsContact CD2-CZ 3.47Å; F252-F466 HydrophobicContact CE2-CE1 4.28Å; F252-F466 HydrophobicContact CE2-CZ 4.09Å; F252-F466 HydrophobicContact CG-CE2 4.37Å; F252-F466 AromaticContact CG-CZ 3.61Å; F252-F466 HydrophobicContact CG-CZ 3.61Å |
| 253 | N | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 124.3 | 171 | 175.4 | -75.1 | 0 | 0 | 0 | 109.1 | F230 L242 D255 I256 Q257 | F230-N253 HydrophobicContact CB-CB 4.14Å; F230-N253 WeakPolarHBondContact O-CA 3.28Å; F230-N253 PolarHBondContact O-ND2 3.27Å; L242-N253 HydrophobicContact CD2-CB 4.4Å; N253-D255 WeakPolarHBondContact OD1-CA 3.5Å; N253-D255 WeakPolarHBondContact OD1-CB 3.32Å; N253-D255 PolarHBondContact OD1-N 2.95Å; N253-I256 HydrophobicContact CB-CB 4.41Å; N253-I256 HydrophobicContact CB-CD1 4.24Å; N253-I256 WeakPolarHBondContact OD1-CG1 3.26Å; N253-I256 PolarHBondContact OD1-N 3.37Å; N253-Q257 VanDerWaalsContact N-OE1 3.08Å; N253-Q257 WeakPolarHBondContact O-CB 3.38Å; N253-Q257 PolarHBondContact O-N 3.44Å |
| 254 | D | 96.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -72.8 | -35.4 | -174.8 | -167.5 | 59.5 | 0 | 0 | 0 | 112.4 | K159 Q229 F230 E231 F252 I256 G258 T259 N442 F446 | K159-D254 IonicContact NZ-OD2 2.75Å; K159-D254 PolarHBondContact NZ-OD2 3.05Å; Q229-D254 HydrophobicContact CG-CB 4.36Å; F230-D254 PolarHBondContact O-N 3.5Å; E231-D254 VanDerWaalsContact OE2-CB 3.29Å; E231-D254 WeakPolarHBondContact OE2-CB 3.42Å; F252-D254 HydrophobicContact CE2-CB 3.95Å; D254-I256 PolarHBondContact O-N 3.01Å; D254-G258 CarbonylContact O-C 3.57Å; D254-G258 WeakPolarHBondContact O-CA 3.46Å; D254-G258 PolarHBondContact O-N 2.67Å; D254-G258 WeakPolarHBondContact OD1-CA 3.3Å; D254-T259 PolarHBondContact O-N 3.37Å; D254-T259 PolarHBondContact O-OG1 3.12Å; D254-N442 PolarHBondContact O-ND2 3.11Å; D254-N442 VanDerWaalsContact O-ND2 3.13Å; D254-N442 WeakPolarHBondContact OD2-CB 3.31Å; D254-N442 PolarHBondContact OD2-ND2 2.81Å; D254-F446 WeakPolarHBondContact OD1-CB 3.34Å |
| 255 | D | 91.6 | Very high | 97 | Very high | 14 Ų | 14 | 18.5 Ų | 18.5 | 8% | 0.075 | 9% | 0.085 | C | C | . | . | I | π-helix | trans | -61.8 | -32.7 | 177.8 | -60.4 | -63.4 | 0 | 0 | 0 | 112.9 | D232 N253 T259 | D232-D255 PolarHBondContact N-OD2 3.48Å; N253-D255 WeakPolarHBondContact OD1-CA 3.5Å; N253-D255 WeakPolarHBondContact OD1-CB 3.32Å; N253-D255 PolarHBondContact OD1-N 2.95Å; D255-T259 WeakPolarHBondContact O-CB 3.26Å; D255-T259 PolarHBondContact O-OG1 2.82Å |
| 256 | I | 93.6 | Very high | 97 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 4% | 0.036 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -89.3 | -62.4 | 176.3 | -62 | 166.2 | 0 | 0 | 0 | 110.4 | A238 F239 L242 N253 D254 A260 E290 | A238-I256 HydrophobicContact CB-CD1 4.18Å; F239-I256 HydrophobicContact CD1-CD1 3.7Å; F239-I256 HydrophobicContact CE1-CD1 3.84Å; F239-I256 HydrophobicContact CE1-CG1 4.2Å; F239-I256 HydrophobicContact CE1-CG2 3.98Å; F239-I256 HydrophobicContact CG-CD1 4.04Å; F239-I256 HydrophobicContact CZ-CD1 4.33Å; F239-I256 HydrophobicContact CZ-CG1 4.37Å; L242-I256 HydrophobicContact CD2-CB 4.31Å; L242-I256 HydrophobicContact CD2-CD1 3.91Å; L242-I256 HydrophobicContact CD2-CG2 4.03Å; N253-I256 HydrophobicContact CB-CB 4.41Å; N253-I256 HydrophobicContact CB-CD1 4.24Å; N253-I256 WeakPolarHBondContact OD1-CG1 3.26Å; N253-I256 PolarHBondContact OD1-N 3.37Å; D254-I256 PolarHBondContact O-N 3.01Å; I256-A260 WeakPolarHBondContact O-CB 3.3Å; I256-A260 PolarHBondContact O-N 2.95Å; I256-A260 VanDerWaalsContact O-N 3.16Å; I256-E290 HydrophobicContact CD1-CG 4.27Å; I256-E290 HydrophobicContact CG1-CB 3.8Å; I256-E290 HydrophobicContact CG1-CG 3.97Å |
| 257 | Q | 97.3 | Very high | 97.1 | Very high | 7 Ų | 7 | 16.5 Ų | 16.5 | 3% | 0.033 | 8% | 0.077 | C | C | . | . | I | π-helix | trans | -88.4 | -36.3 | -167 | -63.1 | 171.8 | -80.8 | 0 | 0 | 112.8 | L242 F252 N253 A260 S261 D463 F466 | L242-Q257 HydrophobicContact CD2-CG 4.14Å; F252-Q257 VanDerWaalsContact CA-OE1 3.25Å; N253-Q257 VanDerWaalsContact N-OE1 3.08Å; N253-Q257 WeakPolarHBondContact O-CB 3.38Å; N253-Q257 PolarHBondContact O-N 3.44Å; Q257-A260 PolarHBondContact O-N 3.26Å; Q257-S261 WeakPolarHBondContact O-CB 3.47Å; Q257-S261 PolarHBondContact O-N 3Å; Q257-D463 PolarHBondContact NE2-OD1 2.93Å; Q257-F466 HydrophobicContact CB-CD1 4.12Å; Q257-F466 HydrophobicContact CB-CD2 3.78Å; Q257-F466 HydrophobicContact CB-CE1 3.99Å; Q257-F466 HydrophobicContact CB-CE2 3.63Å; Q257-F466 HydrophobicContact CB-CG 4.03Å; Q257-F466 HydrophobicContact CB-CZ 3.76Å; Q257-F466 HydrophobicContact CG-CD2 4.34Å; Q257-F466 HydrophobicContact CG-CE2 4.19Å |
| 258 | G | 96.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -65.1 | -47.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D254 A260 S261 V262 | D254-G258 CarbonylContact O-C 3.57Å; D254-G258 WeakPolarHBondContact O-CA 3.46Å; D254-G258 PolarHBondContact O-N 2.67Å; D254-G258 WeakPolarHBondContact OD1-CA 3.3Å; G258-A260 VanDerWaalsContact C-N 3.34Å; G258-A260 PolarHBondContact O-N 3.01Å; G258-S261 WeakPolarHBondContact O-CB 3.13Å; G258-S261 PolarHBondContact O-N 3.14Å; G258-V262 PolarHBondContact O-N 3.33Å |
| 259 | T | 94.9 | Very high | 97.2 | Very high | 21 Ų | 21 | 5.3 Ų | 5.3 | 13% | 0.129 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 174.7 | -49.2 | 0 | 0 | 0 | 0 | 111.7 | D254 D255 S261 V262 A263 A291 I295 N442 | D254-T259 PolarHBondContact O-N 3.37Å; D254-T259 PolarHBondContact O-OG1 3.12Å; D255-T259 WeakPolarHBondContact O-CB 3.26Å; D255-T259 PolarHBondContact O-OG1 2.82Å; T259-S261 VanDerWaalsContact C-N 3.32Å; T259-S261 PolarHBondContact O-N 3.22Å; T259-V262 WeakPolarHBondContact O-CG1 3.3Å; T259-A263 VanDerWaalsContact O-CB 3.31Å; T259-A263 WeakPolarHBondContact O-CB 3.5Å; T259-A263 PolarHBondContact O-N 3.3Å; T259-A263 VanDerWaalsContact O-N 3.08Å; T259-A291 HydrophobicContact CG2-CB 3.82Å; T259-I295 HydrophobicContact CG2-CD1 4.25Å; T259-N442 WeakPolarHBondContact CA-OD1 3.37Å; T259-N442 PolarHBondContact N-ND2 2.91Å; T259-N442 PolarHBondContact OG1-ND2 3.08Å |
| 260 | A | 97.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 4 Ų | 4 | 3% | 0.033 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -56.3 | -48.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I256 Q257 G258 L264 G294 I295 L298 | I256-A260 WeakPolarHBondContact O-CB 3.3Å; I256-A260 PolarHBondContact O-N 2.95Å; I256-A260 VanDerWaalsContact O-N 3.16Å; Q257-A260 PolarHBondContact O-N 3.26Å; G258-A260 VanDerWaalsContact C-N 3.34Å; G258-A260 PolarHBondContact O-N 3.01Å; A260-L264 WeakPolarHBondContact O-CB 3.17Å; A260-L264 PolarHBondContact O-N 2.86Å; A260-G294 VanDerWaalsContact CB-O 3.3Å; A260-G294 WeakPolarHBondContact CB-O 3.44Å; A260-I295 HydrophobicContact CB-CG1 4.47Å; A260-L298 HydrophobicContact CB-CB 4.13Å; A260-L298 HydrophobicContact CB-CD2 3.99Å |
| 261 | S | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -64.6 | -49.4 | -176.5 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | Q257 G258 T259 A263 L264 A265 I445 F466 S470 | Q257-S261 WeakPolarHBondContact O-CB 3.47Å; Q257-S261 PolarHBondContact O-N 3Å; G258-S261 WeakPolarHBondContact O-CB 3.13Å; G258-S261 PolarHBondContact O-N 3.14Å; T259-S261 VanDerWaalsContact C-N 3.32Å; T259-S261 PolarHBondContact O-N 3.22Å; S261-A263 PolarHBondContact O-N 3.03Å; S261-L264 PolarHBondContact O-N 3.07Å; S261-A265 PolarHBondContact O-N 3.48Å; S261-I445 VanDerWaalsContact OG-CD1 3.23Å; S261-I445 WeakPolarHBondContact OG-CD1 3.45Å; S261-I445 WeakPolarHBondContact OG-CG2 3.34Å; S261-F466 PolarHBondContact OG-O 2.94Å; S261-S470 WeakPolarHBondContact CA-OG 3.5Å; S261-S470 PolarHBondContact O-OG 3.35Å; S261-S470 PolarHBondContact OG-OG 3Å; S261-S470 VanDerWaalsContact OG-OG 3.04Å |
| 262 | V | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.006 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66.1 | -41.2 | -179.3 | 70.3 | 0 | 0 | 0 | 0 | 111.4 | G258 T259 L264 A265 G266 Y444 I445 L473 Y488 | G258-V262 PolarHBondContact O-N 3.33Å; T259-V262 WeakPolarHBondContact O-CG1 3.3Å; V262-L264 PolarHBondContact O-N 3.47Å; V262-A265 WeakPolarHBondContact O-CB 3.36Å; V262-A265 PolarHBondContact O-N 2.97Å; V262-G266 PolarHBondContact O-N 3.01Å; V262-Y444 HydrophobicContact CG2-CD2 4.41Å; V262-I445 HydrophobicContact CB-CG1 3.92Å; V262-L473 HydrophobicContact CG2-CD2 4.33Å; V262-Y488 HydrophobicContact CG2-CD1 4.24Å; V262-Y488 HydrophobicContact CG2-CE1 3.55Å; V262-Y488 WeakPolarHBondContact O-CE1 3.31Å; V262-Y488 PolarHBondContact O-OH 3.08Å |
| 263 | A | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | T259 S261 G266 L267 I295 L394 | T259-A263 VanDerWaalsContact O-CB 3.31Å; T259-A263 WeakPolarHBondContact O-CB 3.5Å; T259-A263 PolarHBondContact O-N 3.3Å; T259-A263 VanDerWaalsContact O-N 3.08Å; S261-A263 PolarHBondContact O-N 3.03Å; A263-G266 PolarHBondContact O-N 2.93Å; A263-L267 PolarHBondContact O-N 3.15Å; A263-I295 HydrophobicContact CB-CB 4.42Å; A263-I295 HydrophobicContact CB-CD1 3.74Å; A263-I295 HydrophobicContact CB-CG1 3.69Å; A263-I295 HydrophobicContact CB-CG2 3.77Å; A263-L394 HydrophobicContact CB-CD1 4.01Å |
| 264 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 174.2 | 178.4 | 61 | 0 | 0 | 0 | 111.2 | A260 S261 V262 G266 L267 L268 L278 L298 I299 A302 L467 | A260-L264 WeakPolarHBondContact O-CB 3.17Å; A260-L264 PolarHBondContact O-N 2.86Å; S261-L264 PolarHBondContact O-N 3.07Å; V262-L264 PolarHBondContact O-N 3.47Å; L264-G266 VanDerWaalsContact C-N 3.29Å; L264-G266 PolarHBondContact O-N 2.83Å; L264-L267 CarbonylContact O-C 3.56Å; L264-L267 WeakPolarHBondContact O-CA 2.9Å; L264-L267 WeakPolarHBondContact O-CB 3.29Å; L264-L267 PolarHBondContact O-N 3.19Å; L264-L268 HydrophobicContact CD1-CD1 4.5Å; L264-L268 HydrophobicContact CD1-CD2 4.47Å; L264-L268 HydrophobicContact CD1-CG 4.14Å; L264-L268 HydrophobicContact CG-CD1 4.11Å; L264-L268 HydrophobicContact CG-CG 4.23Å; L264-L268 WeakPolarHBondContact O-CG 3.5Å; L264-L268 PolarHBondContact O-N 3.14Å; L264-L278 HydrophobicContact CD1-CD2 4.23Å; L264-L298 HydrophobicContact CB-CD2 4.08Å; L264-L298 HydrophobicContact CD2-CB 4.23Å; L264-L298 HydrophobicContact CD2-CD2 3.76Å; L264-L298 HydrophobicContact CD2-CG 3.59Å; L264-I299 HydrophobicContact CD1-CG1 4.06Å; L264-A302 HydrophobicContact CD1-CB 4.12Å; L264-A302 HydrophobicContact CD2-CB 3.99Å; L264-L467 HydrophobicContact CD2-CD1 3.49Å; L264-L467 VanDerWaalsContact CD2-CD1 3.49Å |
| 265 | A | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.2 | -43.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | S261 V262 L267 L268 A269 S470 L473 Y488 | S261-A265 PolarHBondContact O-N 3.48Å; V262-A265 WeakPolarHBondContact O-CB 3.36Å; V262-A265 PolarHBondContact O-N 2.97Å; A265-L267 VanDerWaalsContact C-N 3.34Å; A265-L267 PolarHBondContact O-N 3.13Å; A265-L268 PolarHBondContact O-N 2.89Å; A265-A269 WeakPolarHBondContact O-CB 3.45Å; A265-A269 PolarHBondContact O-N 3.02Å; A265-S470 VanDerWaalsContact CB-O 3.31Å; A265-S470 WeakPolarHBondContact CB-O 3.35Å; A265-L473 HydrophobicContact CB-CB 3.9Å; A265-L473 HydrophobicContact CB-CD2 3.57Å; A265-L473 HydrophobicContact CB-CG 3.85Å; A265-Y488 HydrophobicContact CB-CE1 4.43Å |
| 266 | G | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62 | -38.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | V262 A263 L264 A269 A270 Y488 | V262-G266 PolarHBondContact O-N 3.01Å; A263-G266 PolarHBondContact O-N 2.93Å; L264-G266 VanDerWaalsContact C-N 3.29Å; L264-G266 PolarHBondContact O-N 2.83Å; G266-A269 PolarHBondContact O-N 3.4Å; G266-A270 WeakPolarHBondContact O-CB 3.36Å; G266-A270 PolarHBondContact O-N 2.67Å; G266-Y488 WeakPolarHBondContact CA-OH 3.43Å |
| 267 | L | 97.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.8 | -39.5 | 174.5 | -73.8 | 176.8 | 0 | 0 | 0 | 112.5 | A263 L264 A265 A270 Q271 I299 A363 I365 I390 F392 | A263-L267 PolarHBondContact O-N 3.15Å; L264-L267 CarbonylContact O-C 3.56Å; L264-L267 WeakPolarHBondContact O-CA 2.9Å; L264-L267 WeakPolarHBondContact O-CB 3.29Å; L264-L267 PolarHBondContact O-N 3.19Å; A265-L267 VanDerWaalsContact C-N 3.34Å; A265-L267 PolarHBondContact O-N 3.13Å; L267-A270 PolarHBondContact O-N 3.22Å; L267-Q271 VanDerWaalsContact O-CB 3.32Å; L267-Q271 WeakPolarHBondContact O-CB 3.4Å; L267-Q271 PolarHBondContact O-N 2.79Å; L267-I299 HydrophobicContact CD1-CD1 3.4Å; L267-I299 HydrophobicContact CD1-CG1 3.76Å; L267-A363 HydrophobicContact CD2-CB 4.21Å; L267-I365 HydrophobicContact CD1-CD1 4.02Å; L267-I365 HydrophobicContact CD2-CD1 4.42Å; L267-I365 HydrophobicContact CG-CD1 4.48Å; L267-I390 HydrophobicContact CD2-CD1 4.27Å; L267-I390 HydrophobicContact CD2-CG2 3.99Å; L267-F392 HydrophobicContact CD2-CE2 3.88Å; L267-F392 HydrophobicContact CD2-CZ 4.11Å; L267-F392 HydrophobicContact CG-CE2 3.85Å; L267-F392 HydrophobicContact CG-CZ 4.37Å |
| 268 | L | 97.8 | Very high | 96 | Very high | 23 Ų | 23 | 23.7 Ų | 23.7 | 12% | 0.12 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.6 | -37.9 | 175.6 | -67.7 | 174.3 | 0 | 0 | 0 | 111.3 | L264 A265 Q271 R272 L278 K471 A474 | L264-L268 HydrophobicContact CD1-CD1 4.5Å; L264-L268 HydrophobicContact CD1-CD2 4.47Å; L264-L268 HydrophobicContact CD1-CG 4.14Å; L264-L268 HydrophobicContact CG-CD1 4.11Å; L264-L268 HydrophobicContact CG-CG 4.23Å; L264-L268 WeakPolarHBondContact O-CG 3.5Å; L264-L268 PolarHBondContact O-N 3.14Å; A265-L268 PolarHBondContact O-N 2.89Å; L268-Q271 WeakPolarHBondContact O-CB 3.11Å; L268-Q271 PolarHBondContact O-N 3.49Å; L268-R272 WeakPolarHBondContact O-CG 3.36Å; L268-R272 PolarHBondContact O-N 3.48Å; L268-L278 HydrophobicContact CD2-CD2 4.29Å; L268-K471 HydrophobicContact CD1-CG 4.05Å; L268-A474 HydrophobicContact CB-CB 3.65Å; L268-A474 HydrophobicContact CD1-CB 4.35Å |
| 269 | A | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A265 G266 Q271 R272 A273 L477 L482 L487 | A265-A269 WeakPolarHBondContact O-CB 3.45Å; A265-A269 PolarHBondContact O-N 3.02Å; G266-A269 PolarHBondContact O-N 3.4Å; A269-Q271 VanDerWaalsContact C-N 3.33Å; A269-Q271 PolarHBondContact O-N 3.1Å; A269-R272 WeakPolarHBondContact O-CB 3.48Å; A269-R272 PolarHBondContact O-N 3.37Å; A269-A273 PolarHBondContact O-N 3.4Å; A269-L477 HydrophobicContact CB-CD1 3.45Å; A269-L477 VanDerWaalsContact CB-CD1 3.45Å; A269-L482 HydrophobicContact CB-CD2 4.14Å; A269-L487 HydrophobicContact CB-CB 4.48Å; A269-L487 HydrophobicContact CB-CD2 4.02Å |
| 270 | A | 95.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G266 L267 A273 I274 I390 L417 L487 | G266-A270 WeakPolarHBondContact O-CB 3.36Å; G266-A270 PolarHBondContact O-N 2.67Å; L267-A270 PolarHBondContact O-N 3.22Å; A270-A273 PolarHBondContact O-N 3.46Å; A270-A273 VanDerWaalsContact O-N 3.17Å; A270-I274 VanDerWaalsContact O-CG1 3.3Å; A270-I274 WeakPolarHBondContact O-CG1 3.5Å; A270-I274 PolarHBondContact O-N 3.21Å; A270-I390 HydrophobicContact CB-CD1 3.7Å; A270-I390 HydrophobicContact CB-CG1 3.98Å; A270-I390 HydrophobicContact CB-CG2 4.5Å; A270-L417 HydrophobicContact CB-CB 4.46Å; A270-L417 HydrophobicContact CB-CD1 3.77Å; A270-L487 HydrophobicContact CB-CD2 3.87Å |
| 271 | Q | 94.7 | Very high | 96.1 | Very high | 50 Ų | 50 | 29.9 Ų | 29.9 | 23% | 0.234 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.8 | -50.5 | 172.8 | 177.7 | -132.7 | -53.8 | 0 | 0 | 110.9 | L267 L268 A269 A273 I274 G275 K276 | L267-Q271 VanDerWaalsContact O-CB 3.32Å; L267-Q271 WeakPolarHBondContact O-CB 3.4Å; L267-Q271 PolarHBondContact O-N 2.79Å; L268-Q271 WeakPolarHBondContact O-CB 3.11Å; L268-Q271 PolarHBondContact O-N 3.49Å; A269-Q271 VanDerWaalsContact C-N 3.33Å; A269-Q271 PolarHBondContact O-N 3.1Å; Q271-A273 VanDerWaalsContact C-N 3.27Å; Q271-A273 PolarHBondContact O-N 2.97Å; Q271-I274 PolarHBondContact O-N 2.81Å; Q271-G275 PolarHBondContact O-N 3.18Å; Q271-K276 WeakPolarHBondContact CG-O 3.2Å |
| 272 | R | 94.3 | Very high | 96 | Very high | 96 Ų | 96 | 35 Ų | 35 | 36% | 0.362 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.2 | -42 | 175.8 | -73.2 | 175.9 | 61.8 | -160 | -3 | 111.7 | L268 A269 I274 A474 L477 D479 L482 | L268-R272 WeakPolarHBondContact O-CG 3.36Å; L268-R272 PolarHBondContact O-N 3.48Å; A269-R272 WeakPolarHBondContact O-CB 3.48Å; A269-R272 PolarHBondContact O-N 3.37Å; R272-I274 VanDerWaalsContact C-N 3.34Å; R272-I274 PolarHBondContact O-N 3.22Å; R272-A474 PolarHBondContact NH1-O 3.08Å; R272-L477 PolarHBondContact NH1-O 3.5Å; R272-L477 PolarHBondContact NH2-O 2.86Å; R272-D479 IonicContact NH2-OD1 3.7Å; R272-D479 PolarHBondContact NH2-OD1 2.98Å; R272-L482 HydrophobicContact CB-CD1 4.19Å |
| 273 | A | 93.1 | Very high | 96.1 | Very high | 28 Ų | 28 | 35 Ų | 35 | 23% | 0.231 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.3 | -28.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A269 A270 Q271 R388 L417 L482 | A269-A273 PolarHBondContact O-N 3.4Å; A270-A273 PolarHBondContact O-N 3.46Å; A270-A273 VanDerWaalsContact O-N 3.17Å; Q271-A273 VanDerWaalsContact C-N 3.27Å; Q271-A273 PolarHBondContact O-N 2.97Å; A273-R388 VanDerWaalsContact C-NH1 3.34Å; A273-R388 PolarHBondContact O-NH1 3.41Å; A273-L417 HydrophobicContact CB-CD1 4.14Å; A273-L417 HydrophobicContact CB-CD2 4.34Å; A273-L482 HydrophobicContact CB-CD2 4.43Å |
| 274 | I | 94.2 | Very high | 96.1 | Very high | 43 Ų | 43 | 35 Ų | 35 | 22% | 0.221 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -88.2 | -30.4 | 178.1 | -66.5 | 170.4 | 0 | 0 | 0 | 111.6 | A270 Q271 R272 K276 R388 I390 L417 | A270-I274 VanDerWaalsContact O-CG1 3.3Å; A270-I274 WeakPolarHBondContact O-CG1 3.5Å; A270-I274 PolarHBondContact O-N 3.21Å; Q271-I274 PolarHBondContact O-N 2.81Å; R272-I274 VanDerWaalsContact C-N 3.34Å; R272-I274 PolarHBondContact O-N 3.22Å; I274-K276 HydrophobicContact CG2-CB 3.99Å; I274-K276 HydrophobicContact CG2-CD 3.9Å; I274-K276 HydrophobicContact CG2-CG 3.84Å; I274-R388 HydrophobicContact CG1-CB 4.16Å; I274-I390 HydrophobicContact CD1-CD1 3.86Å; I274-I390 HydrophobicContact CD1-CG1 3.93Å; I274-L417 HydrophobicContact CD1-CD1 3.83Å; I274-L417 HydrophobicContact CG1-CD1 3.7Å |
| 275 | G | 92.1 | Very high | 96.1 | Very high | 68 Ų | 68 | 35 Ų | 35 | 70% | 0.701 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 19.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q271 | Q271-G275 PolarHBondContact O-N 3.18Š|
| 276 | K | 91.6 | Very high | 96.1 | Very high | 108 Ų | 108 | 35.3 Ų | 35.3 | 47% | 0.47 | 19% | 0.186 | S | C | . | . | trans | -111.7 | 140.8 | 175.4 | -72.4 | -178.4 | -177.3 | -176.4 | 0 | 110.5 | Q271 I274 | Q271-K276 WeakPolarHBondContact CG-O 3.2Å; I274-K276 HydrophobicContact CG2-CB 3.99Å; I274-K276 HydrophobicContact CG2-CD 3.9Å; I274-K276 HydrophobicContact CG2-CG 3.84Å | ||
| 277 | P | 94.6 | Very high | 95.9 | Very high | 48 Ų | 48 | 35.7 Ų | 35.7 | 31% | 0.312 | 19% | 0.189 | S | C | . | . | trans | -65.7 | 152.3 | 179.2 | 29.5 | -35.6 | 0 | 0 | 0 | 111.8 | T279 E280 | P277-T279 PolarHBondContact O-N 3.02Å; P277-E280 VanDerWaalsContact CD-OE1 3.29Å; P277-E280 WeakPolarHBondContact CD-OE1 3.36Å; P277-E280 HydrophobicContact CG-CB 4.28Å; P277-E280 HydrophobicContact CG-CG 3.81Å; P277-E280 VanDerWaalsContact CG-OE1 3.25Å; P277-E280 WeakPolarHBondContact CG-OE1 3.48Å; P277-E280 PolarHBondContact O-N 2.95Å | ||
| 278 | L | 95.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -53.5 | -34.1 | 179 | -172.6 | 63.9 | 0 | 0 | 0 | 112.3 | L264 L268 E280 H281 A302 M303 L306 | L264-L278 HydrophobicContact CD1-CD2 4.23Å; L268-L278 HydrophobicContact CD2-CD2 4.29Å; L278-E280 PolarHBondContact O-N 3.04Å; L278-H281 WeakPolarHBondContact O-CB 3.43Å; L278-H281 PolarHBondContact O-N 2.81Å; L278-A302 HydrophobicContact CD2-CB 3.52Å; L278-M303 HydrophobicContact CD2-CG 4.16Å; L278-M303 HydrophobicContact CG-CE 4.28Å; L278-M303 HydrophobicContact CG-CG 4.11Å; L278-M303 WeakPolarHBondContact O-CE 3.09Å; L278-L306 HydrophobicContact CB-CD1 3.86Å |
| 279 | T | 96.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 36.1 Ų | 36.1 | 18% | 0.184 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -63.9 | -19.9 | -179 | 61.1 | 0 | 0 | 0 | 0 | 114.8 | P277 L306 L308 K316 | P277-T279 PolarHBondContact O-N 3.02Å; T279-L306 HydrophobicContact CG2-CB 3.56Å; T279-L306 HydrophobicContact CG2-CD1 3.79Å; T279-L306 HydrophobicContact CG2-CG 4.34Å; T279-L308 VanDerWaalsContact CB-CD1 3.5Å; T279-L308 HydrophobicContact CG2-CD1 3.19Å; T279-K316 WeakPolarHBondContact O-CE 3.48Å |
| 280 | E | 95.9 | Very high | 94.7 | Very high | 118 Ų | 118 | 36.1 Ų | 36.1 | 55% | 0.551 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -89.5 | -13.2 | 175.3 | -76.6 | -179.9 | -140.2 | 0 | 0 | 113.1 | P277 L278 | P277-E280 VanDerWaalsContact CD-OE1 3.29Å; P277-E280 WeakPolarHBondContact CD-OE1 3.36Å; P277-E280 HydrophobicContact CG-CB 4.28Å; P277-E280 HydrophobicContact CG-CG 3.81Å; P277-E280 VanDerWaalsContact CG-OE1 3.25Å; P277-E280 WeakPolarHBondContact CG-OE1 3.48Å; P277-E280 PolarHBondContact O-N 2.95Å; L278-E280 PolarHBondContact O-N 3.04Å |
| 281 | H | 97.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | trans | -78 | 147.4 | 179.2 | -73.5 | -66.2 | 0 | 0 | 0 | 111.9 | L278 T362 | L278-H281 WeakPolarHBondContact O-CB 3.43Å; L278-H281 PolarHBondContact O-N 2.81Å; H281-T362 WeakPolarHBondContact CA-OG1 3.13Å; H281-T362 WeakPolarHBondContact CB-OG1 3.33Å; H281-T362 WeakPolarHBondContact ND1-CB 3.49Å; H281-T362 PolarHBondContact ND1-OG1 3.43Å | ||
| 282 | R | 98.1 | Very high | 94.4 | Very high | 108 Ų | 108 | 34.6 Ų | 34.6 | 41% | 0.408 | 20% | 0.195 | S | C | . | . | trans | -123.9 | 123.1 | 172.8 | -154.6 | -175.1 | -43.4 | -160.1 | 3.1 | 108.1 | K316 I359 P361 T362 A363 | R282-K316 CarbonylContact C-O 3.46Å; R282-K316 WeakPolarHBondContact CA-O 3.39Å; R282-K316 WeakPolarHBondContact CG-O 3.15Å; R282-I359 WeakPolarHBondContact CD-O 3.41Å; R282-I359 HydrophobicContact CG-CG2 4.32Å; R282-I359 PolarHBondContact NH1-O 2.92Å; R282-P361 CarbonylContact O-C 3.44Å; R282-P361 WeakPolarHBondContact O-CA 3.47Å; R282-P361 WeakPolarHBondContact O-CB 3.44Å; R282-T362 PolarHBondContact N-OG1 3.26Å; R282-T362 PolarHBondContact O-N 3.5Å; R282-T362 PolarHBondContact O-OG1 3.17Å; R282-A363 PolarHBondContact O-N 3.28Å | ||
| 283 | V | 98.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.9 | -168.4 | -172.6 | 0 | 0 | 0 | 0 | 109.1 | F285 I299 K316 I317 W318 A363 I365 | V283-F285 HydrophobicContact CB-CE2 4.31Å; V283-F285 HydrophobicContact CG1-CD2 4.03Å; V283-F285 HydrophobicContact CG1-CE2 3.53Å; V283-F285 HydrophobicContact CG1-CZ 3.96Å; V283-I299 HydrophobicContact CG1-CD1 4.37Å; V283-I299 HydrophobicContact CG2-CD1 4.35Å; V283-K316 PolarHBondContact N-O 2.95Å; V283-I317 WeakPolarHBondContact O-CA 3.48Å; V283-W318 PolarHBondContact O-N 2.97Å; V283-A363 WeakPolarHBondContact CA-O 3.07Å; V283-A363 HydrophobicContact CG1-CB 4.43Å; V283-A363 HydrophobicContact CG2-CB 4.34Å; V283-I365 HydrophobicContact CG1-CD1 3.66Å; V283-I365 HydrophobicContact CG1-CG1 4.04Å |
| 284 | L | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 117.5 | 174.4 | 175.3 | 64.3 | 0 | 0 | 0 | 109.8 | W318 L325 F352 A355 V356 P361 A363 I364 I365 | L284-W318 WeakPolarHBondContact CA-O 3.13Å; L284-W318 HydrophobicContact CD1-CB 3.65Å; L284-L325 HydrophobicContact CD1-CD1 4.23Å; L284-F352 HydrophobicContact CD1-CE2 4.27Å; L284-F352 HydrophobicContact CD2-CD2 4.42Å; L284-F352 HydrophobicContact CD2-CE2 3.7Å; L284-F352 HydrophobicContact CD2-CZ 3.8Å; L284-F352 HydrophobicContact CG-CE2 3.72Å; L284-F352 HydrophobicContact CG-CZ 3.93Å; L284-A355 HydrophobicContact CD2-CB 4Å; L284-V356 HydrophobicContact CD2-CG2 3.69Å; L284-P361 HydrophobicContact CB-CB 3.72Å; L284-P361 HydrophobicContact CB-CG 3.8Å; L284-P361 HydrophobicContact CD2-CG 4.03Å; L284-A363 PolarHBondContact N-O 2.7Å; L284-I364 HydrophobicContact CB-CG2 4.28Å; L284-I364 HydrophobicContact CD2-CG2 4.49Å; L284-I364 VanDerWaalsContact O-CA 3.3Å; L284-I364 WeakPolarHBondContact O-CA 3.27Å; L284-I365 PolarHBondContact O-N 3.1Å |
| 285 | F | 98.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 137.6 | 175.8 | -70.7 | -93.6 | 0 | 0 | 0 | 111.4 | V283 A292 I295 A296 I299 I317 W318 M319 Y320 I365 V367 | V283-F285 HydrophobicContact CB-CE2 4.31Å; V283-F285 HydrophobicContact CG1-CD2 4.03Å; V283-F285 HydrophobicContact CG1-CE2 3.53Å; V283-F285 HydrophobicContact CG1-CZ 3.96Å; F285-A292 HydrophobicContact CB-CB 4.47Å; F285-A292 HydrophobicContact CD1-CB 4.01Å; F285-A292 HydrophobicContact CG-CB 4.37Å; F285-I295 HydrophobicContact CE1-CB 3.83Å; F285-I295 HydrophobicContact CE1-CD1 4.05Å; F285-I295 HydrophobicContact CE1-CG2 3.81Å; F285-I295 HydrophobicContact CZ-CB 3.93Å; F285-I295 HydrophobicContact CZ-CG2 3.65Å; F285-A296 HydrophobicContact CE2-CB 4.04Å; F285-A296 HydrophobicContact CZ-CB 4.26Å; F285-I299 HydrophobicContact CE2-CD1 4.41Å; F285-I299 HydrophobicContact CZ-CD1 3.99Å; F285-I317 HydrophobicContact CD2-CG2 3.9Å; F285-I317 HydrophobicContact CE2-CG2 3.7Å; F285-W318 PolarHBondContact N-O 2.88Å; F285-M319 HydrophobicContact CB-CB 4.49Å; F285-M319 HydrophobicContact CB-CG 4.13Å; F285-M319 HydrophobicContact CD2-CE 4.46Å; F285-M319 HydrophobicContact CD2-CG 4.29Å; F285-Y320 WeakPolarHBondContact O-CB 3.45Å; F285-Y320 PolarHBondContact O-N 2.81Å; F285-I365 CarbonylContact C-O 3.6Å; F285-I365 VanDerWaalsContact CA-O 3.31Å; F285-I365 WeakPolarHBondContact CA-O 3.47Å; F285-I365 HydrophobicContact CD1-CB 3.76Å; F285-I365 HydrophobicContact CD1-CG2 3.93Å; F285-I365 HydrophobicContact CE1-CB 3.79Å; F285-I365 HydrophobicContact CE1-CD1 3.83Å; F285-I365 HydrophobicContact CE1-CG1 4.35Å; F285-I365 HydrophobicContact CE1-CG2 3.76Å; F285-I365 HydrophobicContact CZ-CD1 3.87Å; F285-V367 HydrophobicContact CD1-CG2 4.37Å |
| 286 | L | 97.9 | Very high | 94.8 | Very high | 8 Ų | 8 | 24 Ų | 24 | 4% | 0.042 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 107.3 | 160.8 | 180 | 70.4 | 0 | 0 | 0 | 108.3 | Y320 F352 I365 V367 A368 L373 F374 E402 | L286-Y320 HydrophobicContact CD1-CD1 3.99Å; L286-F352 HydrophobicContact CB-CD2 4.25Å; L286-F352 HydrophobicContact CB-CE1 4.44Å; L286-F352 HydrophobicContact CB-CE2 3.68Å; L286-F352 HydrophobicContact CB-CZ 3.8Å; L286-F352 HydrophobicContact CD1-CB 4.45Å; L286-F352 HydrophobicContact CD1-CD2 3.64Å; L286-F352 HydrophobicContact CD1-CE2 3.99Å; L286-F352 HydrophobicContact CD1-CG 3.99Å; L286-F352 HydrophobicContact CG-CD2 4.47Å; L286-F352 HydrophobicContact CG-CE2 4.38Å; L286-I365 PolarHBondContact N-O 3.45Å; L286-V367 PolarHBondContact O-N 2.85Å; L286-A368 HydrophobicContact CG-CB 4.24Å; L286-A368 PolarHBondContact O-N 2.97Å; L286-L373 HydrophobicContact CD1-CD1 4.33Å; L286-L373 HydrophobicContact CD2-CB 3.34Å; L286-L373 HydrophobicContact CD2-CD1 3.74Å; L286-L373 HydrophobicContact CD2-CG 4.19Å; L286-L373 HydrophobicContact CG-CD1 4.35Å; L286-F374 HydrophobicContact CB-CE1 3.85Å; L286-F374 HydrophobicContact CB-CZ 4.45Å; L286-F374 HydrophobicContact CD2-CD1 4.01Å; L286-F374 HydrophobicContact CD2-CE1 3.73Å; L286-F374 HydrophobicContact CG-CE1 4.47Å; L286-E402 HydrophobicContact CD2-CG 3.99Å |
| 287 | G | 94.8 | Very high | 95 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 7% | 0.072 | 12% | 0.121 | C | C | . | . | trans | 109.4 | 143.9 | -164.2 | 0 | 0 | 0 | 0 | 0 | 111 | A292 Y320 | G287-A292 VanDerWaalsContact O-CB 3.22Å; G287-A292 WeakPolarHBondContact O-CB 3.46Å; G287-Y320 WeakPolarHBondContact CA-O 3.02Å; G287-Y320 PolarHBondContact N-O 3Å | ||
| 288 | A | 93.2 | Very high | 95.1 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 7% | 0.066 | 11% | 0.108 | C | C | . | . | trans | -136.3 | 33.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M319 D321 L326 Q338 | A288-M319 HydrophobicContact CB-CB 4.2Å; A288-M319 HydrophobicContact CB-SD 4.23Å; A288-D321 HydrophobicContact CB-CB 3.9Å; A288-L326 HydrophobicContact CB-CD1 4.05Å; A288-Q338 PolarHBondContact O-NE2 2.97Å | ||
| 289 | G | 88.3 | Confident | 95.3 | Very high | 28 Ų | 28 | 19.5 Ų | 19.5 | 29% | 0.289 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -94.9 | -156.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | A291 A292 L293 | G289-A291 PolarHBondContact O-N 2.98Å; G289-A292 PolarHBondContact O-N 3.06Å; G289-L293 WeakPolarHBondContact O-CG 3.16Å; G289-L293 PolarHBondContact O-N 2.88Å |
| 290 | E | 85.3 | Confident | 95.4 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -48.3 | -57.7 | -177.1 | -74.6 | -178 | 168.4 | 0 | 0 | 114.7 | R141 N235 A238 F239 I256 A292 G294 | R141-E290 IonicContact CZ-OE2 3.15Å; R141-E290 IonicContact NH1-OE2 2.72Å; R141-E290 PolarHBondContact NH1-OE2 3.17Å; N235-E290 WeakPolarHBondContact CA-OE1 3.37Å; N235-E290 VanDerWaalsContact O-OE1 3.07Å; A238-E290 WeakPolarHBondContact CB-OE1 3.38Å; F239-E290 HydrophobicContact CD2-CG 3.71Å; F239-E290 VanDerWaalsContact CE2-CA 3.46Å; F239-E290 HydrophobicContact CE2-CB 4.01Å; F239-E290 HydrophobicContact CE2-CG 3.39Å; F239-E290 HydrophobicContact CZ-CB 4.27Å; F239-E290 HydrophobicContact CZ-CG 4.05Å; I256-E290 HydrophobicContact CD1-CG 4.27Å; I256-E290 HydrophobicContact CG1-CB 3.8Å; I256-E290 HydrophobicContact CG1-CG 3.97Å; E290-A292 PolarHBondContact O-N 3.1Å; E290-G294 PolarHBondContact O-N 3.44Å |
| 291 | A | 89.5 | Confident | 95.5 | Very high | 17 Ų | 17 | 14.7 Ų | 14.7 | 14% | 0.14 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.9 | -48 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T259 G289 L293 G294 I295 V367 | T259-A291 HydrophobicContact CG2-CB 3.82Å; G289-A291 PolarHBondContact O-N 2.98Å; A291-L293 PolarHBondContact O-N 3.4Å; A291-G294 PolarHBondContact O-N 2.76Å; A291-I295 HydrophobicContact CB-CD1 4.5Å; A291-I295 WeakPolarHBondContact O-CB 3.25Å; A291-I295 WeakPolarHBondContact O-CD1 3.42Å; A291-I295 WeakPolarHBondContact O-CG1 3.41Å; A291-I295 PolarHBondContact O-N 2.89Å; A291-V367 HydrophobicContact CB-CB 3.97Å; A291-V367 HydrophobicContact CB-CG1 3.88Å; A291-V367 HydrophobicContact CB-CG2 4.43Å |
| 292 | A | 94 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.4 | -48.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F285 G287 G289 E290 A296 V367 | F285-A292 HydrophobicContact CB-CB 4.47Å; F285-A292 HydrophobicContact CD1-CB 4.01Å; F285-A292 HydrophobicContact CG-CB 4.37Å; G287-A292 VanDerWaalsContact O-CB 3.22Å; G287-A292 WeakPolarHBondContact O-CB 3.46Å; G289-A292 PolarHBondContact O-N 3.06Å; E290-A292 PolarHBondContact O-N 3.1Å; A292-A296 WeakPolarHBondContact O-CB 3.37Å; A292-A296 PolarHBondContact O-N 3.04Å; A292-V367 HydrophobicContact CB-CG2 3.69Å |
| 293 | L | 92.7 | Very high | 95.5 | Very high | 4 Ų | 4 | 9.6 Ų | 9.6 | 2% | 0.021 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -68.6 | -39.7 | -178.8 | -67.7 | 167.9 | 0 | 0 | 0 | 111.6 | F239 G289 A291 N297 M319 N337 Q338 F341 | F239-L293 HydrophobicContact CE2-CD1 3.85Å; F239-L293 HydrophobicContact CZ-CB 3.84Å; F239-L293 HydrophobicContact CZ-CD1 3.77Å; F239-L293 HydrophobicContact CZ-CG 4.46Å; G289-L293 WeakPolarHBondContact O-CG 3.16Å; G289-L293 PolarHBondContact O-N 2.88Å; A291-L293 PolarHBondContact O-N 3.4Å; L293-N297 WeakPolarHBondContact O-CB 3.11Å; L293-N297 VanDerWaalsContact O-CG 3.31Å; L293-N297 PolarHBondContact O-N 2.97Å; L293-N297 PolarHBondContact O-ND2 3.11Å; L293-M319 HydrophobicContact CD2-CE 4.01Å; L293-M319 HydrophobicContact CD2-SD 3.93Å; L293-N337 HydrophobicContact CD1-CB 3.76Å; L293-N337 WeakPolarHBondContact CD2-O 3.28Å; L293-Q338 HydrophobicContact CD1-CG 4.32Å; L293-Q338 HydrophobicContact CD2-CG 4.36Å; L293-F341 HydrophobicContact CD2-CD2 3.78Å; L293-F341 HydrophobicContact CD2-CE2 3.98Å |
| 294 | G | 94.3 | Very high | 95.5 | Very high | 10 Ų | 10 | 13.3 Ų | 13.3 | 10% | 0.103 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.7 | -54.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A260 E290 A291 A296 N297 L298 | A260-G294 VanDerWaalsContact CB-O 3.3Å; A260-G294 WeakPolarHBondContact CB-O 3.44Å; E290-G294 PolarHBondContact O-N 3.44Å; A291-G294 PolarHBondContact O-N 2.76Å; G294-A296 PolarHBondContact O-N 2.83Å; G294-N297 PolarHBondContact O-N 2.96Å; G294-L298 PolarHBondContact O-N 2.66Å; G294-L298 VanDerWaalsContact O-N 3.12Å |
| 295 | I | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 179.7 | -59 | 162 | 0 | 0 | 0 | 110.2 | T259 A260 A263 F285 A291 N297 L298 I299 I365 V367 L394 | T259-I295 HydrophobicContact CG2-CD1 4.25Å; A260-I295 HydrophobicContact CB-CG1 4.47Å; A263-I295 HydrophobicContact CB-CB 4.42Å; A263-I295 HydrophobicContact CB-CD1 3.74Å; A263-I295 HydrophobicContact CB-CG1 3.69Å; A263-I295 HydrophobicContact CB-CG2 3.77Å; F285-I295 HydrophobicContact CE1-CB 3.83Å; F285-I295 HydrophobicContact CE1-CD1 4.05Å; F285-I295 HydrophobicContact CE1-CG2 3.81Å; F285-I295 HydrophobicContact CZ-CB 3.93Å; F285-I295 HydrophobicContact CZ-CG2 3.65Å; A291-I295 HydrophobicContact CB-CD1 4.5Å; A291-I295 WeakPolarHBondContact O-CB 3.25Å; A291-I295 WeakPolarHBondContact O-CD1 3.42Å; A291-I295 WeakPolarHBondContact O-CG1 3.41Å; A291-I295 PolarHBondContact O-N 2.89Å; I295-N297 PolarHBondContact O-N 2.79Å; I295-L298 PolarHBondContact O-N 2.7Å; I295-I299 HydrophobicContact CG2-CD1 3.74Å; I295-I299 HydrophobicContact CG2-CG1 4.28Å; I295-I299 VanDerWaalsContact O-CG1 3.31Å; I295-I299 WeakPolarHBondContact O-CG1 3.2Å; I295-I299 PolarHBondContact O-N 2.93Å; I295-I365 HydrophobicContact CD1-CG2 4.26Å; I295-I365 HydrophobicContact CG2-CD1 4.33Å; I295-V367 HydrophobicContact CD1-CG1 4.09Å; I295-L394 HydrophobicContact CD1-CD1 4.2Å |
| 296 | A | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F285 A292 G294 L298 I299 V300 I317 M319 F341 | F285-A296 HydrophobicContact CE2-CB 4.04Å; F285-A296 HydrophobicContact CZ-CB 4.26Å; A292-A296 WeakPolarHBondContact O-CB 3.37Å; A292-A296 PolarHBondContact O-N 3.04Å; G294-A296 PolarHBondContact O-N 2.83Å; A296-L298 VanDerWaalsContact C-N 3.31Å; A296-L298 PolarHBondContact O-N 2.5Å; A296-I299 PolarHBondContact O-N 3.38Å; A296-V300 WeakPolarHBondContact O-CG2 3.36Å; A296-V300 PolarHBondContact O-N 3.36Å; A296-I317 HydrophobicContact CB-CD1 4.1Å; A296-I317 HydrophobicContact CB-CG2 3.88Å; A296-I317 WeakPolarHBondContact O-CD1 3.42Å; A296-M319 HydrophobicContact CB-CE 3.25Å; A296-F341 HydrophobicContact CB-CD1 4.49Å; A296-F341 HydrophobicContact CB-CE1 3.8Å; A296-F341 HydrophobicContact CB-CE2 4.03Å; A296-F341 HydrophobicContact CB-CZ 3.53Å |
| 297 | N | 95.9 | Very high | 95.2 | Very high | 57 Ų | 57 | 26 Ų | 26 | 31% | 0.305 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.8 | -40 | 176.8 | -77.3 | -43 | 0 | 0 | 0 | 111.8 | L293 G294 I295 V300 M301 | L293-N297 WeakPolarHBondContact O-CB 3.11Å; L293-N297 VanDerWaalsContact O-CG 3.31Å; L293-N297 PolarHBondContact O-N 2.97Å; L293-N297 PolarHBondContact O-ND2 3.11Å; G294-N297 PolarHBondContact O-N 2.96Å; I295-N297 PolarHBondContact O-N 2.79Å; N297-V300 WeakPolarHBondContact O-CB 3.41Å; N297-V300 PolarHBondContact O-N 2.91Å; N297-M301 WeakPolarHBondContact O-CG 3.45Å; N297-M301 PolarHBondContact O-N 3.03Å |
| 298 | L | 97.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.8 | -36.2 | 179.1 | -153.4 | 67 | 0 | 0 | 0 | 112.3 | A260 L264 G294 I295 A296 M301 A302 D463 F466 L467 | A260-L298 HydrophobicContact CB-CB 4.13Å; A260-L298 HydrophobicContact CB-CD2 3.99Å; L264-L298 HydrophobicContact CB-CD2 4.08Å; L264-L298 HydrophobicContact CD2-CB 4.23Å; L264-L298 HydrophobicContact CD2-CD2 3.76Å; L264-L298 HydrophobicContact CD2-CG 3.59Å; G294-L298 PolarHBondContact O-N 2.66Å; G294-L298 VanDerWaalsContact O-N 3.12Å; I295-L298 PolarHBondContact O-N 2.7Å; A296-L298 VanDerWaalsContact C-N 3.31Å; A296-L298 PolarHBondContact O-N 2.5Å; L298-M301 HydrophobicContact CD1-SD 4.17Å; L298-M301 PolarHBondContact O-N 3.38Å; L298-A302 WeakPolarHBondContact O-CB 3.38Å; L298-A302 PolarHBondContact O-N 2.9Å; L298-D463 HydrophobicContact CD1-CB 4.45Å; L298-D463 WeakPolarHBondContact CD1-O 3.31Å; L298-F466 HydrophobicContact CD1-CB 4.44Å; L298-F466 HydrophobicContact CD2-CB 4.36Å; L298-L467 HydrophobicContact CD1-CB 3.92Å |
| 299 | I | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 170.2 | -67.4 | 165.8 | 0 | 0 | 0 | 110.5 | L264 L267 V283 F285 I295 A296 M301 A302 M303 I317 | L264-I299 HydrophobicContact CD1-CG1 4.06Å; L267-I299 HydrophobicContact CD1-CD1 3.4Å; L267-I299 HydrophobicContact CD1-CG1 3.76Å; V283-I299 HydrophobicContact CG1-CD1 4.37Å; V283-I299 HydrophobicContact CG2-CD1 4.35Å; F285-I299 HydrophobicContact CE2-CD1 4.41Å; F285-I299 HydrophobicContact CZ-CD1 3.99Å; I295-I299 HydrophobicContact CG2-CD1 3.74Å; I295-I299 HydrophobicContact CG2-CG1 4.28Å; I295-I299 VanDerWaalsContact O-CG1 3.31Å; I295-I299 WeakPolarHBondContact O-CG1 3.2Å; I295-I299 PolarHBondContact O-N 2.93Å; A296-I299 PolarHBondContact O-N 3.38Å; I299-M301 VanDerWaalsContact C-N 3.32Å; I299-M301 PolarHBondContact O-N 2.75Å; I299-A302 PolarHBondContact O-N 2.81Å; I299-M303 HydrophobicContact CG2-CE 3.67Å; I299-M303 HydrophobicContact CG2-CG 4.38Å; I299-M303 HydrophobicContact CG2-SD 4.3Å; I299-M303 WeakPolarHBondContact O-CG 3.03Å; I299-M303 PolarHBondContact O-N 3.1Å; I299-I317 HydrophobicContact CB-CD1 4.05Å; I299-I317 HydrophobicContact CG2-CD1 3.9Å; I299-I317 HydrophobicContact CG2-CG1 4.48Å |
| 300 | V | 98.3 | Very high | 96 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.3 | -47.3 | 176.2 | 166.5 | 0 | 0 | 0 | 0 | 110.6 | A296 N297 A302 M303 M304 Q310 A313 R314 I317 F341 | A296-V300 WeakPolarHBondContact O-CG2 3.36Å; A296-V300 PolarHBondContact O-N 3.36Å; N297-V300 WeakPolarHBondContact O-CB 3.41Å; N297-V300 PolarHBondContact O-N 2.91Å; V300-A302 VanDerWaalsContact C-N 3.34Å; V300-A302 PolarHBondContact O-N 2.76Å; V300-M303 PolarHBondContact O-N 3.21Å; V300-M304 HydrophobicContact CG1-CG 4.38Å; V300-M304 HydrophobicContact CG1-SD 3.78Å; V300-M304 VanDerWaalsContact O-CG 3.26Å; V300-M304 WeakPolarHBondContact O-CG 3.21Å; V300-M304 PolarHBondContact O-N 3Å; V300-Q310 HydrophobicContact CG1-CG 3.98Å; V300-A313 HydrophobicContact CB-CB 4.32Å; V300-A313 HydrophobicContact CG1-CB 3.98Å; V300-A313 HydrophobicContact CG2-CB 4.25Å; V300-R314 HydrophobicContact CG2-CG 3.94Å; V300-I317 HydrophobicContact CG2-CD1 3.59Å; V300-F341 HydrophobicContact CG2-CE1 4.18Å |
| 301 | M | 98.1 | Very high | 96.5 | Very high | 45 Ų | 45 | 36.4 Ų | 36.4 | 22% | 0.222 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 177.6 | -69.4 | 175.2 | 62.9 | 0 | 0 | 112.2 | N297 L298 I299 M304 E305 D463 T464 L467 | N297-M301 WeakPolarHBondContact O-CG 3.45Å; N297-M301 PolarHBondContact O-N 3.03Å; L298-M301 HydrophobicContact CD1-SD 4.17Å; L298-M301 PolarHBondContact O-N 3.38Å; I299-M301 VanDerWaalsContact C-N 3.32Å; I299-M301 PolarHBondContact O-N 2.75Å; M301-M304 PolarHBondContact O-N 3.31Å; M301-E305 PolarHBondContact O-N 3.02Å; M301-E305 VanDerWaalsContact O-N 3.09Å; M301-D463 HydrophobicContact CE-CB 3.9Å; M301-D463 HydrophobicContact SD-CB 3.63Å; M301-T464 HydrophobicContact CE-CG2 3.47Å; M301-T464 VanDerWaalsContact CE-CG2 3.47Å; M301-L467 HydrophobicContact CB-CD2 4.08Å; M301-L467 HydrophobicContact CE-CD2 4.36Å |
| 302 | A | 98.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 5% | 0.05 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L264 L278 L298 I299 V300 M304 E305 L306 L467 | L264-A302 HydrophobicContact CD1-CB 4.12Å; L264-A302 HydrophobicContact CD2-CB 3.99Å; L278-A302 HydrophobicContact CD2-CB 3.52Å; L298-A302 WeakPolarHBondContact O-CB 3.38Å; L298-A302 PolarHBondContact O-N 2.9Å; I299-A302 PolarHBondContact O-N 2.81Å; V300-A302 VanDerWaalsContact C-N 3.34Å; V300-A302 PolarHBondContact O-N 2.76Å; A302-M304 VanDerWaalsContact C-N 3.32Å; A302-M304 PolarHBondContact O-N 2.6Å; A302-E305 PolarHBondContact O-N 2.65Å; A302-L306 WeakPolarHBondContact O-CG 3.44Å; A302-L306 PolarHBondContact O-N 3.23Å; A302-L467 HydrophobicContact CB-CD1 3.81Å |
| 303 | M | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -34.9 | 174.4 | -70.1 | -174.7 | -179.7 | 0 | 0 | 112.3 | L278 I299 V300 L306 G307 L308 A313 K316 | L278-M303 HydrophobicContact CD2-CG 4.16Å; L278-M303 HydrophobicContact CG-CE 4.28Å; L278-M303 HydrophobicContact CG-CG 4.11Å; L278-M303 WeakPolarHBondContact O-CE 3.09Å; I299-M303 HydrophobicContact CG2-CE 3.67Å; I299-M303 HydrophobicContact CG2-CG 4.38Å; I299-M303 HydrophobicContact CG2-SD 4.3Å; I299-M303 WeakPolarHBondContact O-CG 3.03Å; I299-M303 PolarHBondContact O-N 3.1Å; V300-M303 PolarHBondContact O-N 3.21Å; M303-L306 CarbonylContact O-C 3.57Å; M303-L306 WeakPolarHBondContact O-CB 3.25Å; M303-L306 PolarHBondContact O-N 2.93Å; M303-L306 VanDerWaalsContact O-N 3.14Å; M303-G307 PolarHBondContact O-N 3.48Å; M303-L308 HydrophobicContact CB-CB 4.48Å; M303-L308 HydrophobicContact CB-CD2 4.48Å; M303-L308 PolarHBondContact O-N 2.93Å; M303-L308 HydrophobicContact SD-CD2 4.46Å; M303-A313 HydrophobicContact CB-CB 3.81Å; M303-A313 HydrophobicContact SD-CB 4.04Å; M303-K316 HydrophobicContact CE-CB 3.89Å; M303-K316 HydrophobicContact CE-CG 4.2Å; M303-K316 HydrophobicContact SD-CB 4.08Å; M303-K316 HydrophobicContact SD-CG 4.01Å |
| 304 | M | 98.1 | Very high | 97.3 | Very high | 80 Ų | 80 | 42.1 Ų | 42.1 | 39% | 0.394 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.3 | -36.6 | 176.9 | -71.9 | 170.7 | 61.3 | 0 | 0 | 112.6 | V300 M301 A302 L306 G307 L308 Q310 | V300-M304 HydrophobicContact CG1-CG 4.38Å; V300-M304 HydrophobicContact CG1-SD 3.78Å; V300-M304 VanDerWaalsContact O-CG 3.26Å; V300-M304 WeakPolarHBondContact O-CG 3.21Å; V300-M304 PolarHBondContact O-N 3Å; M301-M304 PolarHBondContact O-N 3.31Å; A302-M304 VanDerWaalsContact C-N 3.32Å; A302-M304 PolarHBondContact O-N 2.6Å; M304-L306 PolarHBondContact O-N 3.04Å; M304-G307 PolarHBondContact O-N 3Å; M304-L308 WeakPolarHBondContact CA-O 3.31Å; M304-L308 WeakPolarHBondContact CG-O 3.12Å; M304-Q310 HydrophobicContact CE-CB 4.23Å; M304-Q310 HydrophobicContact SD-CB 3.79Å; M304-Q310 HydrophobicContact SD-CG 3.96Å |
| 305 | E | 96.8 | Very high | 97.4 | Very high | 106 Ų | 106 | 47.7 Ų | 47.7 | 50% | 0.495 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64 | -22.5 | 171.9 | -73.9 | -174.1 | 151.7 | 0 | 0 | 113 | M301 A302 G307 L467 K471 | M301-E305 PolarHBondContact O-N 3.02Å; M301-E305 VanDerWaalsContact O-N 3.09Å; A302-E305 PolarHBondContact O-N 2.65Å; E305-G307 VanDerWaalsContact C-N 3.31Å; E305-L467 HydrophobicContact CG-CD2 4.32Å; E305-K471 IonicContact OE1-NZ 2.62Å; E305-K471 PolarHBondContact OE1-NZ 3.34Å; E305-K471 WeakPolarHBondContact OE2-CE 3.27Å; E305-K471 IonicContact OE2-NZ 2.72Å; E305-K471 PolarHBondContact OE2-NZ 2.99Å |
| 306 | L | 95.8 | Very high | 97.4 | Very high | 101 Ų | 101 | 50.8 Ų | 50.8 | 53% | 0.529 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 7.5 | 174.2 | -60.2 | 174.8 | 0 | 0 | 0 | 113 | L278 T279 A302 M303 M304 | L278-L306 HydrophobicContact CB-CD1 3.86Å; T279-L306 HydrophobicContact CG2-CB 3.56Å; T279-L306 HydrophobicContact CG2-CD1 3.79Å; T279-L306 HydrophobicContact CG2-CG 4.34Å; A302-L306 WeakPolarHBondContact O-CG 3.44Å; A302-L306 PolarHBondContact O-N 3.23Å; M303-L306 CarbonylContact O-C 3.57Å; M303-L306 WeakPolarHBondContact O-CB 3.25Å; M303-L306 PolarHBondContact O-N 2.93Å; M303-L306 VanDerWaalsContact O-N 3.14Å; M304-L306 PolarHBondContact O-N 3.04Å |
| 307 | G | 96.6 | Very high | 97.5 | Very high | 67 Ų | 67 | 50.8 Ų | 50.8 | 69% | 0.691 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.5 | 2.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | M303 M304 E305 | M303-G307 PolarHBondContact O-N 3.48Å; M304-G307 PolarHBondContact O-N 3Å; E305-G307 VanDerWaalsContact C-N 3.31Å |
| 308 | L | 97.9 | Very high | 97.6 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | trans | -73.8 | 148.2 | 172.8 | -84.3 | 75.2 | 0 | 0 | 0 | 110.8 | T279 M303 M304 E312 A313 | T279-L308 VanDerWaalsContact CB-CD1 3.5Å; T279-L308 HydrophobicContact CG2-CD1 3.19Å; M303-L308 HydrophobicContact CB-CB 4.48Å; M303-L308 HydrophobicContact CB-CD2 4.48Å; M303-L308 PolarHBondContact O-N 2.93Å; M303-L308 HydrophobicContact SD-CD2 4.46Å; M304-L308 WeakPolarHBondContact CA-O 3.31Å; M304-L308 WeakPolarHBondContact CG-O 3.12Å; L308-E312 HydrophobicContact CB-CB 4.32Å; L308-E312 HydrophobicContact CD2-CB 3.96Å; L308-E312 HydrophobicContact CG-CB 4.21Å; L308-A313 HydrophobicContact CB-CB 4.3Å; L308-A313 HydrophobicContact CD2-CB 4.38Å | ||
| 309 | T | 98.1 | Very high | 97.6 | Very high | 79 Ų | 79 | 49.3 Ų | 49.3 | 49% | 0.485 | 27% | 0.266 | S | S | . | . | trans | -68.5 | 158.2 | 161.6 | 66.5 | 0 | 0 | 0 | 0 | 110.4 | A311 E312 A313 | T309-A311 PolarHBondContact O-N 2.74Å; T309-E312 WeakPolarHBondContact CB-OE2 3.3Å; T309-E312 WeakPolarHBondContact CG2-OE2 3.11Å; T309-E312 PolarHBondContact N-OE2 3.06Å; T309-E312 PolarHBondContact O-N 3.34Å; T309-E312 VanDerWaalsContact OG1-CD 3.24Å; T309-E312 VanDerWaalsContact OG1-CG 3.23Å; T309-E312 WeakPolarHBondContact OG1-CG 3.48Å; T309-E312 PolarHBondContact OG1-N 3.43Å; T309-E312 PolarHBondContact OG1-OE2 2.79Å; T309-A313 WeakPolarHBondContact O-CB 3.47Å; T309-A313 PolarHBondContact O-N 3.02Å | ||
| 310 | Q | 96.8 | Very high | 97.6 | Very high | 91 Ų | 91 | 50.8 Ų | 50.8 | 43% | 0.425 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.9 | -34.4 | 177 | -170.2 | 175.1 | 34.3 | 0 | 0 | 112.6 | V300 M304 R314 | V300-Q310 HydrophobicContact CG1-CG 3.98Å; M304-Q310 HydrophobicContact CE-CB 4.23Å; M304-Q310 HydrophobicContact SD-CB 3.79Å; M304-Q310 HydrophobicContact SD-CG 3.96Å; Q310-R314 WeakPolarHBondContact O-CB 3.23Å; Q310-R314 VanDerWaalsContact O-CG 3.27Å; Q310-R314 WeakPolarHBondContact O-CG 3.25Å; Q310-R314 PolarHBondContact O-N 2.83Å; Q310-R314 VanDerWaalsContact O-N 3.09Å |
| 311 | A | 96.3 | Very high | 97.4 | Very high | 61 Ų | 61 | 51.7 Ų | 51.7 | 50% | 0.504 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.1 | -50.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T309 A313 R314 E315 | T309-A311 PolarHBondContact O-N 2.74Å; A311-A313 VanDerWaalsContact C-N 3.28Å; A311-A313 PolarHBondContact O-N 3.46Å; A311-R314 PolarHBondContact O-N 3.15Å; A311-R314 VanDerWaalsContact O-N 3.12Å; A311-E315 PolarHBondContact O-N 3.18Å |
| 312 | E | 97.6 | Very high | 97.1 | Very high | 89 Ų | 89 | 54.4 Ų | 54.4 | 42% | 0.416 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.1 | -39.1 | 178.3 | -68.5 | 162.8 | 139.5 | 0 | 0 | 112 | L308 T309 E315 | L308-E312 HydrophobicContact CB-CB 4.32Å; L308-E312 HydrophobicContact CD2-CB 3.96Å; L308-E312 HydrophobicContact CG-CB 4.21Å; T309-E312 WeakPolarHBondContact CB-OE2 3.3Å; T309-E312 WeakPolarHBondContact CG2-OE2 3.11Å; T309-E312 PolarHBondContact N-OE2 3.06Å; T309-E312 PolarHBondContact O-N 3.34Å; T309-E312 VanDerWaalsContact OG1-CD 3.24Å; T309-E312 VanDerWaalsContact OG1-CG 3.23Å; T309-E312 WeakPolarHBondContact OG1-CG 3.48Å; T309-E312 PolarHBondContact OG1-N 3.43Å; T309-E312 PolarHBondContact OG1-OE2 2.79Å; E312-E315 PolarHBondContact O-N 2.94Å |
| 313 | A | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | V300 M303 L308 T309 A311 K316 | V300-A313 HydrophobicContact CB-CB 4.32Å; V300-A313 HydrophobicContact CG1-CB 3.98Å; V300-A313 HydrophobicContact CG2-CB 4.25Å; M303-A313 HydrophobicContact CB-CB 3.81Å; M303-A313 HydrophobicContact SD-CB 4.04Å; L308-A313 HydrophobicContact CB-CB 4.3Å; L308-A313 HydrophobicContact CD2-CB 4.38Å; T309-A313 WeakPolarHBondContact O-CB 3.47Å; T309-A313 PolarHBondContact O-N 3.02Å; A311-A313 VanDerWaalsContact C-N 3.28Å; A311-A313 PolarHBondContact O-N 3.46Å; A313-K316 WeakPolarHBondContact O-CB 3.4Å; A313-K316 PolarHBondContact O-N 3.2Å |
| 314 | R | 97.4 | Very high | 96.8 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 176.5 | -77.2 | 171.7 | 175.5 | 164 | 1 | 112.7 | V300 Q310 A311 K316 I317 L340 F341 H343 | V300-R314 HydrophobicContact CG2-CG 3.94Å; Q310-R314 WeakPolarHBondContact O-CB 3.23Å; Q310-R314 VanDerWaalsContact O-CG 3.27Å; Q310-R314 WeakPolarHBondContact O-CG 3.25Å; Q310-R314 PolarHBondContact O-N 2.83Å; Q310-R314 VanDerWaalsContact O-N 3.09Å; A311-R314 PolarHBondContact O-N 3.15Å; A311-R314 VanDerWaalsContact O-N 3.12Å; R314-K316 PolarHBondContact O-N 3.36Å; R314-K316 VanDerWaalsContact O-N 3.14Å; R314-I317 PolarHBondContact O-N 2.65Å; R314-L340 WeakPolarHBondContact CD-O 3.16Å; R314-F341 HydrophobicContact CG-CE1 4.16Å; R314-H343 PolarHBondContact O-CE1 3Å; R314-H343 VanDerWaalsContact O-CE1 3.31Å |
| 315 | E | 96.8 | Very high | 96.7 | Very high | 126 Ų | 126 | 56.4 Ų | 56.4 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61 | -20.5 | 175.8 | -71.9 | -179.9 | 177.2 | 0 | 0 | 113.3 | A311 E312 I317 W318 | A311-E315 PolarHBondContact O-N 3.18Å; E312-E315 PolarHBondContact O-N 2.94Å; E315-I317 VanDerWaalsContact C-N 3.3Å; E315-W318 PolarHBondContact O-NE1 2.98Å |
| 316 | K | 97.8 | Very high | 96.7 | Very high | 66 Ų | 66 | 51.4 Ų | 51.4 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.5 | 175.1 | -56.9 | -61.6 | -176.9 | 178.8 | 0 | 113.7 | T279 R282 V283 M303 A313 R314 | T279-K316 WeakPolarHBondContact O-CE 3.48Å; R282-K316 CarbonylContact C-O 3.46Å; R282-K316 WeakPolarHBondContact CA-O 3.39Å; R282-K316 WeakPolarHBondContact CG-O 3.15Å; V283-K316 PolarHBondContact N-O 2.95Å; M303-K316 HydrophobicContact CE-CB 3.89Å; M303-K316 HydrophobicContact CE-CG 4.2Å; M303-K316 HydrophobicContact SD-CB 4.08Å; M303-K316 HydrophobicContact SD-CG 4.01Å; A313-K316 WeakPolarHBondContact O-CB 3.4Å; A313-K316 PolarHBondContact O-N 3.2Å; R314-K316 PolarHBondContact O-N 3.36Å; R314-K316 VanDerWaalsContact O-N 3.14Å |
| 317 | I | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122.6 | -170.2 | -58.8 | 179.3 | 0 | 0 | 0 | 110.8 | V283 F285 A296 I299 V300 R314 E315 M319 F341 H343 | V283-I317 WeakPolarHBondContact O-CA 3.48Å; F285-I317 HydrophobicContact CD2-CG2 3.9Å; F285-I317 HydrophobicContact CE2-CG2 3.7Å; A296-I317 HydrophobicContact CB-CD1 4.1Å; A296-I317 HydrophobicContact CB-CG2 3.88Å; A296-I317 WeakPolarHBondContact O-CD1 3.42Å; I299-I317 HydrophobicContact CB-CD1 4.05Å; I299-I317 HydrophobicContact CG2-CD1 3.9Å; I299-I317 HydrophobicContact CG2-CG1 4.48Å; V300-I317 HydrophobicContact CG2-CD1 3.59Å; R314-I317 PolarHBondContact O-N 2.65Å; E315-I317 VanDerWaalsContact C-N 3.3Å; I317-M319 HydrophobicContact CG2-CE 4.21Å; I317-F341 HydrophobicContact CB-CD1 4.15Å; I317-F341 HydrophobicContact CB-CE1 4.27Å; I317-F341 HydrophobicContact CD1-CE1 4.14Å; I317-F341 HydrophobicContact CG2-CD1 3.96Å; I317-F341 HydrophobicContact CG2-CE1 4.14Å; I317-H343 PolarHBondContact O-NE2 3.32Å |
| 318 | W | 98.4 | Very high | 96.5 | Very high | 31 Ų | 31 | 49.1 Ų | 49.1 | 12% | 0.117 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 146.6 | 179.8 | -65.9 | 76.8 | 0 | 0 | 0 | 110 | V283 L284 F285 E315 L325 H343 P346 I359 | V283-W318 PolarHBondContact O-N 2.97Å; L284-W318 WeakPolarHBondContact CA-O 3.13Å; L284-W318 HydrophobicContact CD1-CB 3.65Å; F285-W318 PolarHBondContact N-O 2.88Å; E315-W318 PolarHBondContact O-NE1 2.98Å; W318-L325 HydrophobicContact CE3-CD1 4.23Å; W318-L325 HydrophobicContact CE3-CD2 4.03Å; W318-L325 HydrophobicContact CE3-CG 4.35Å; W318-L325 HydrophobicContact CZ3-CD2 4.1Å; W318-H343 AromaticContact CD2-CD2 3.79Å; W318-H343 HydrophobicContact CE3-CB 4.19Å; W318-H343 AromaticContact CE3-CD2 3.64Å; W318-H343 HydrophobicContact CH2-CB 3.5Å; W318-H343 AromaticContact CH2-CG 3.86Å; W318-H343 HydrophobicContact CZ2-CB 4.22Å; W318-H343 HydrophobicContact CZ3-CB 3.48Å; W318-H343 VanDerWaalsContact CZ3-CB 3.48Å; W318-H343 AromaticContact CZ3-CD2 3.84Å; W318-H343 AromaticContact CZ3-CG 3.88Å; W318-P346 HydrophobicContact CZ3-CG 4.29Å; W318-I359 HydrophobicContact CB-CG2 4.41Å; W318-I359 HydrophobicContact CD2-CD1 3.56Å; W318-I359 HydrophobicContact CD2-CG1 4.05Å; W318-I359 HydrophobicContact CD2-CG2 4.24Å; W318-I359 HydrophobicContact CE3-CD1 3.6Å; W318-I359 HydrophobicContact CE3-CG1 4.24Å; W318-I359 HydrophobicContact CG-CD1 4.23Å; W318-I359 HydrophobicContact CG-CG1 4.23Å; W318-I359 HydrophobicContact CG-CG2 3.8Å; W318-I359 HydrophobicContact CH2-CD1 3.88Å; W318-I359 HydrophobicContact CZ2-CD1 3.87Å; W318-I359 HydrophobicContact CZ3-CD1 3.75Å |
| 319 | M | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 141.9 | -179.3 | -62.4 | -174.9 | 178.6 | 0 | 0 | 111 | F285 A288 L293 A296 I317 L325 L326 F341 | F285-M319 HydrophobicContact CB-CB 4.49Å; F285-M319 HydrophobicContact CB-CG 4.13Å; F285-M319 HydrophobicContact CD2-CE 4.46Å; F285-M319 HydrophobicContact CD2-CG 4.29Å; A288-M319 HydrophobicContact CB-CB 4.2Å; A288-M319 HydrophobicContact CB-SD 4.23Å; L293-M319 HydrophobicContact CD2-CE 4.01Å; L293-M319 HydrophobicContact CD2-SD 3.93Å; A296-M319 HydrophobicContact CB-CE 3.25Å; I317-M319 HydrophobicContact CG2-CE 4.21Å; M319-L325 WeakPolarHBondContact O-CD1 3.47Å; M319-L326 HydrophobicContact CB-CB 4.41Å; M319-L326 HydrophobicContact CB-CD1 3.68Å; M319-L326 HydrophobicContact CB-CG 3.76Å; M319-L326 HydrophobicContact CG-CD1 4.42Å; M319-L326 PolarHBondContact O-N 3.46Å; M319-L326 HydrophobicContact SD-CD1 4.12Å; M319-F341 HydrophobicContact CE-CB 4.1Å; M319-F341 HydrophobicContact CE-CD1 4.06Å; M319-F341 HydrophobicContact CE-CD2 3.5Å; M319-F341 VanDerWaalsContact CE-CD2 3.5Å; M319-F341 HydrophobicContact CE-CE1 4.38Å; M319-F341 HydrophobicContact CE-CE2 3.85Å; M319-F341 HydrophobicContact CE-CG 3.61Å; M319-F341 HydrophobicContact CE-CZ 4.28Å; M319-F341 HydrophobicContact CG-CB 4.39Å; M319-F341 HydrophobicContact SD-CB 3.95Å; M319-F341 HydrophobicContact SD-CD2 4.06Å; M319-F341 HydrophobicContact SD-CG 4.1Å |
| 320 | Y | 96.9 | Very high | 95.7 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 12% | 0.122 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 116.7 | 178.3 | -167.1 | -71.8 | 0 | 0 | 0 | 109 | F285 L286 G287 G324 L325 V349 Q350 T351 F352 A355 | F285-Y320 WeakPolarHBondContact O-CB 3.45Å; F285-Y320 PolarHBondContact O-N 2.81Å; L286-Y320 HydrophobicContact CD1-CD1 3.99Å; G287-Y320 WeakPolarHBondContact CA-O 3.02Å; G287-Y320 PolarHBondContact N-O 3Å; Y320-G324 CarbonylContact C-O 3.55Å; Y320-G324 WeakPolarHBondContact CA-O 3.38Å; Y320-L325 HydrophobicContact CD2-CB 4.19Å; Y320-L325 HydrophobicContact CD2-CD1 4.3Å; Y320-V349 HydrophobicContact CE2-CG1 4.42Å; Y320-Q350 PolarHBondContact OH-O 3.49Å; Y320-Q350 VanDerWaalsContact OH-O 3.14Å; Y320-T351 WeakPolarHBondContact OH-CA 3.4Å; Y320-F352 HydrophobicContact CD1-CD2 4.17Å; Y320-F352 HydrophobicContact CD2-CD2 4Å; Y320-F352 HydrophobicContact CE2-CB 4.46Å; Y320-F352 AromaticContact CG-CD2 3.73Å; Y320-F352 HydrophobicContact CG-CD2 3.73Å; Y320-F352 HydrophobicContact CG-CE2 4.46Å; Y320-A355 HydrophobicContact CD2-CB 4Å; Y320-A355 HydrophobicContact CE2-CB 4.36Å |
| 321 | D | 94.8 | Very high | 95.3 | Very high | 22 Ų | 22 | 58.5 Ų | 58.5 | 12% | 0.118 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -170 | 179.2 | 72.6 | 11.4 | 0 | 0 | 0 | 112.2 | A288 H323 G324 L326 R330 | A288-D321 HydrophobicContact CB-CB 3.9Å; D321-H323 PolarHBondContact O-N 3.02Å; D321-H323 VanDerWaalsContact O-N 3.09Å; D321-H323 WeakPolarHBondContact OD1-CA 3.46Å; D321-H323 WeakPolarHBondContact OD1-CB 3.47Å; D321-H323 PolarHBondContact OD1-N 2.72Å; D321-G324 PolarHBondContact N-O 3.32Å; D321-G324 PolarHBondContact O-N 2.88Å; D321-G324 VanDerWaalsContact O-N 3.11Å; D321-G324 PolarHBondContact OD1-N 3.2Å; D321-L326 HydrophobicContact CB-CD2 4.4Å; D321-L326 WeakPolarHBondContact OD2-CD2 3.31Å; D321-R330 IonicContact OD1-CZ 2.62Å; D321-R330 IonicContact OD1-NH1 3.1Å; D321-R330 PolarHBondContact OD1-NH1 2.73Å; D321-R330 IonicContact OD2-CZ 3.01Å; D321-R330 IonicContact OD2-NH1 3.49Å; D321-R330 PolarHBondContact OD2-NH1 3.39Å; D321-R330 IonicContact OD2-NH2 3.75Å; D321-R330 PolarHBondContact OD2-NH2 3.45Å |
| 322 | A | 92.8 | Very high | 95 | Very high | 101 Ų | 101 | 59.5 Ų | 59.5 | 84% | 0.835 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 323 | H | 94.3 | Very high | 94.4 | Very high | 110 Ų | 110 | 64.8 Ų | 64.8 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 6.5 | -179.3 | -54 | -67 | 0 | 0 | 0 | 112.9 | D321 H332 | D321-H323 PolarHBondContact O-N 3.02Å; D321-H323 VanDerWaalsContact O-N 3.09Å; D321-H323 WeakPolarHBondContact OD1-CA 3.46Å; D321-H323 WeakPolarHBondContact OD1-CB 3.47Å; D321-H323 PolarHBondContact OD1-N 2.72Å; H323-H332 HydrophobicContact CB-CB 3.7Å; H323-H332 AromaticContact CD2-CD2 3.94Å; H323-H332 AromaticContact CE1-CD2 3.34Å; H323-H332 PolarHBondContact CE1-CD2 2.79Å; H323-H332 AromaticContact CE1-NE2 3.71Å; H323-H332 AromaticContact CG-CD2 3.51Å; H323-H332 AromaticContact CG-CG 3.56Å; H323-H332 AromaticContact ND1-CD2 3.11Å; H323-H332 PolarHBondContact ND1-CD2 2.96Å; H323-H332 AromaticContact ND1-CE1 3.96Å; H323-H332 AromaticContact ND1-CG 3.57Å; H323-H332 AromaticContact ND1-NE2 3.38Å; H323-H332 PolarHBondContact ND1-NE2 2.64Å; H323-H332 AromaticContact NE2-CD2 3.84Å |
| 324 | G | 95.3 | Very high | 94 | Very high | 10 Ų | 10 | 66.6 Ų | 66.6 | 10% | 0.103 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 111.1 | -162.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y320 D321 | Y320-G324 CarbonylContact C-O 3.55Å; Y320-G324 WeakPolarHBondContact CA-O 3.38Å; D321-G324 PolarHBondContact N-O 3.32Å; D321-G324 PolarHBondContact O-N 2.88Å; D321-G324 VanDerWaalsContact O-N 3.11Å; D321-G324 PolarHBondContact OD1-N 3.2Å |
| 325 | L | 96.9 | Very high | 93.3 | Very high | 9 Ų | 9 | 67.7 Ų | 67.7 | 5% | 0.047 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 139.5 | 179.8 | -165.6 | 70.3 | 0 | 0 | 0 | 110.9 | L284 W318 M319 Y320 V327 P346 V349 A355 | L284-L325 HydrophobicContact CD1-CD1 4.23Å; W318-L325 HydrophobicContact CE3-CD1 4.23Å; W318-L325 HydrophobicContact CE3-CD2 4.03Å; W318-L325 HydrophobicContact CE3-CG 4.35Å; W318-L325 HydrophobicContact CZ3-CD2 4.1Å; M319-L325 WeakPolarHBondContact O-CD1 3.47Å; Y320-L325 HydrophobicContact CD2-CB 4.19Å; Y320-L325 HydrophobicContact CD2-CD1 4.3Å; L325-V327 HydrophobicContact CB-CG1 4.27Å; L325-V327 HydrophobicContact CD2-CG1 3.69Å; L325-V327 HydrophobicContact CG-CG1 3.88Å; L325-V327 PolarHBondContact O-N 3.34Å; L325-P346 HydrophobicContact CD2-CG 3.75Å; L325-V349 HydrophobicContact CB-CG1 4.23Å; L325-V349 HydrophobicContact CD2-CB 4.46Å; L325-V349 HydrophobicContact CD2-CG1 4.3Å; L325-V349 HydrophobicContact CD2-CG2 4.36Å; L325-A355 HydrophobicContact CD1-CB 4.26Å |
| 326 | L | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -73.8 | 93.7 | 173.9 | -63.2 | -158.5 | 0 | 0 | 0 | 110.5 | A288 M319 D321 R330 T334 Q338 V342 H343 | A288-L326 HydrophobicContact CB-CD1 4.05Å; M319-L326 HydrophobicContact CB-CB 4.41Å; M319-L326 HydrophobicContact CB-CD1 3.68Å; M319-L326 HydrophobicContact CB-CG 3.76Å; M319-L326 HydrophobicContact CG-CD1 4.42Å; M319-L326 PolarHBondContact O-N 3.46Å; M319-L326 HydrophobicContact SD-CD1 4.12Å; D321-L326 HydrophobicContact CB-CD2 4.4Å; D321-L326 WeakPolarHBondContact OD2-CD2 3.31Å; L326-R330 VanDerWaalsContact CD2-CZ 3.44Å; L326-T334 HydrophobicContact CD2-CG2 4.01Å; L326-Q338 HydrophobicContact CD1-CB 3.93Å; L326-Q338 HydrophobicContact CD1-CG 4.27Å; L326-V342 HydrophobicContact CB-CG2 4.44Å; L326-H343 PolarHBondContact O-N 3.44Å | ||
| 327 | V | 95.8 | Very high | 91.9 | Very high | 20 Ų | 20 | 63 Ų | 63 | 12% | 0.121 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -131 | 157 | 178.8 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | L325 R330 H343 | L325-V327 HydrophobicContact CB-CG1 4.27Å; L325-V327 HydrophobicContact CD2-CG1 3.69Å; L325-V327 HydrophobicContact CG-CG1 3.88Å; L325-V327 PolarHBondContact O-N 3.34Å; V327-R330 HydrophobicContact CG2-CB 4.14Å; V327-R330 WeakPolarHBondContact O-CG 3Å; V327-H343 CarbonylContact C-O 3.53Å; V327-H343 WeakPolarHBondContact CA-O 3.39Å; V327-H343 WeakPolarHBondContact CB-O 3.1Å |
| 328 | K | 92.9 | Very high | 91.4 | Very high | 101 Ų | 101 | 64.2 Ų | 64.2 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 147.2 | 174.3 | -64.4 | -177.1 | -162.4 | 156.4 | 0 | 110.3 | R330 V342 H343 D344 | K328-R330 PolarHBondContact O-N 2.61Å; K328-R330 VanDerWaalsContact O-N 3.07Å; K328-V342 HydrophobicContact CG-CG1 3.94Å; K328-H343 PolarHBondContact N-O 2.95Å; K328-D344 VanDerWaalsContact CD-OD1 3.28Å; K328-D344 WeakPolarHBondContact CD-OD1 2.81Å; K328-D344 WeakPolarHBondContact CE-OD1 2.98Å; K328-D344 IonicContact NZ-OD1 3.12Å; K328-D344 PolarHBondContact NZ-OD1 2.79Å; K328-D344 IonicContact NZ-OD2 2.65Å; K328-D344 PolarHBondContact NZ-OD2 3.41Å; K328-D344 VanDerWaalsContact NZ-OD2 3.12Å |
| 329 | D | 88.1 | Confident | 90.9 | Very high | 172 Ų | 172 | 68.5 Ų | 68.5 | 92% | 0.92 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 16.9 | 176.8 | -50.1 | -45.8 | 0 | 0 | 0 | 115.5 | ||
| 330 | R | 90.9 | Very high | 90.5 | Very high | 43 Ų | 43 | 72.4 Ų | 72.4 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | trans | -64.4 | 148.6 | 170.2 | 77.8 | 176.6 | -164.1 | 157.1 | 0.8 | 110.5 | D321 L326 V327 K328 H332 K333 | D321-R330 IonicContact OD1-CZ 2.62Å; D321-R330 IonicContact OD1-NH1 3.1Å; D321-R330 PolarHBondContact OD1-NH1 2.73Å; D321-R330 IonicContact OD2-CZ 3.01Å; D321-R330 IonicContact OD2-NH1 3.49Å; D321-R330 PolarHBondContact OD2-NH1 3.39Å; D321-R330 IonicContact OD2-NH2 3.75Å; D321-R330 PolarHBondContact OD2-NH2 3.45Å; L326-R330 VanDerWaalsContact CD2-CZ 3.44Å; V327-R330 HydrophobicContact CG2-CB 4.14Å; V327-R330 WeakPolarHBondContact O-CG 3Å; K328-R330 PolarHBondContact O-N 2.61Å; K328-R330 VanDerWaalsContact O-N 3.07Å; R330-H332 VanDerWaalsContact C-N 3.34Å; R330-H332 WeakPolarHBondContact CD-O 3.5Å; R330-H332 VanDerWaalsContact CG-O 3.22Å; R330-H332 WeakPolarHBondContact CG-O 3.28Å; R330-H332 PolarHBondContact NE-O 3.27Å; R330-H332 PolarHBondContact O-N 2.91Å; R330-K333 PolarHBondContact NH2-O 2.7Å | ||
| 331 | E | 87.9 | Confident | 90.4 | Very high | 182 Ų | 182 | 70.9 Ų | 70.9 | 85% | 0.85 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -59.8 | -41.5 | -175.6 | -174.4 | -179.6 | -172.4 | 0 | 0 | 113.2 | ||
| 332 | H | 89.6 | Confident | 90.5 | Very high | 82 Ų | 82 | 71.3 Ų | 71.3 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -89.9 | 123.2 | -178.2 | -71.4 | 71.2 | 0 | 0 | 0 | 110.8 | H323 R330 | H323-H332 HydrophobicContact CB-CB 3.7Å; H323-H332 AromaticContact CD2-CD2 3.94Å; H323-H332 AromaticContact CE1-CD2 3.34Å; H323-H332 PolarHBondContact CE1-CD2 2.79Å; H323-H332 AromaticContact CE1-NE2 3.71Å; H323-H332 AromaticContact CG-CD2 3.51Å; H323-H332 AromaticContact CG-CG 3.56Å; H323-H332 AromaticContact ND1-CD2 3.11Å; H323-H332 PolarHBondContact ND1-CD2 2.96Å; H323-H332 AromaticContact ND1-CE1 3.96Å; H323-H332 AromaticContact ND1-CG 3.57Å; H323-H332 AromaticContact ND1-NE2 3.38Å; H323-H332 PolarHBondContact ND1-NE2 2.64Å; H323-H332 AromaticContact NE2-CD2 3.84Å; R330-H332 VanDerWaalsContact C-N 3.34Å; R330-H332 WeakPolarHBondContact CD-O 3.5Å; R330-H332 VanDerWaalsContact CG-O 3.22Å; R330-H332 WeakPolarHBondContact CG-O 3.28Å; R330-H332 PolarHBondContact NE-O 3.27Å; R330-H332 PolarHBondContact O-N 2.91Å |
| 333 | K | 86.3 | Confident | 90.6 | Very high | 201 Ų | 201 | 67.7 Ų | 67.7 | 87% | 0.874 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -61 | 142.8 | -179.3 | -66.5 | -173.4 | 178.8 | -176.8 | 0 | 111.8 | R330 | R330-K333 PolarHBondContact NH2-O 2.7Š|
| 334 | T | 87.5 | Confident | 90.6 | Very high | 38 Ų | 38 | 67.5 Ų | 67.5 | 23% | 0.233 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 153.4 | 167.5 | 46.8 | 0 | 0 | 0 | 0 | 110.7 | L326 Q338 V342 | L326-T334 HydrophobicContact CD2-CG2 4.01Å; T334-Q338 HydrophobicContact CG2-CB 4.36Å; T334-V342 HydrophobicContact CG2-CG2 3.74Å |
| 335 | D | 83 | Confident | 90.6 | Very high | 75 Ų | 75 | 70.3 Ų | 70.3 | 40% | 0.401 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 156.4 | 167 | 176.8 | 61.9 | 0 | 0 | 0 | 110.9 | N337 Q338 E339 | D335-N337 PolarHBondContact O-N 3.46Å; D335-N337 VanDerWaalsContact O-N 3.13Å; D335-N337 VanDerWaalsContact OD2-CB 3.3Å; D335-N337 WeakPolarHBondContact OD2-CB 3.49Å; D335-N337 PolarHBondContact OD2-N 2.77Å; D335-N337 PolarHBondContact OD2-ND2 3.27Å; D335-Q338 HydrophobicContact CB-CG 4.27Å; D335-Q338 WeakPolarHBondContact O-CA 3.48Å; D335-Q338 WeakPolarHBondContact O-CB 3.35Å; D335-Q338 PolarHBondContact O-N 3.45Å; D335-E339 PolarHBondContact O-N 3.18Å |
| 336 | A | 82.9 | Confident | 90.4 | Very high | 60 Ų | 60 | 72.2 Ų | 72.2 | 50% | 0.496 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q338 | A336-Q338 VanDerWaalsContact C-N 3.29Š|
| 337 | N | 82.1 | Confident | 90.2 | Very high | 35 Ų | 35 | 74.3 Ų | 74.3 | 19% | 0.187 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -22.9 | 175.9 | -61 | -63.3 | 0 | 0 | 0 | 113.1 | R243 L293 D335 | R243-N337 PolarHBondContact NH2-OD1 3.34Å; L293-N337 HydrophobicContact CD1-CB 3.76Å; L293-N337 WeakPolarHBondContact CD2-O 3.28Å; D335-N337 PolarHBondContact O-N 3.46Å; D335-N337 VanDerWaalsContact O-N 3.13Å; D335-N337 VanDerWaalsContact OD2-CB 3.3Å; D335-N337 WeakPolarHBondContact OD2-CB 3.49Å; D335-N337 PolarHBondContact OD2-N 2.77Å; D335-N337 PolarHBondContact OD2-ND2 3.27Å |
| 338 | Q | 88.4 | Confident | 89.9 | Confident | 24 Ų | 24 | 79.5 Ų | 79.5 | 11% | 0.112 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -22.5 | -176.9 | -66.7 | 174.9 | -24.4 | 0 | 0 | 112.9 | A288 L293 L326 T334 D335 A336 L340 F341 | A288-Q338 PolarHBondContact O-NE2 2.97Å; L293-Q338 HydrophobicContact CD1-CG 4.32Å; L293-Q338 HydrophobicContact CD2-CG 4.36Å; L326-Q338 HydrophobicContact CD1-CB 3.93Å; L326-Q338 HydrophobicContact CD1-CG 4.27Å; T334-Q338 HydrophobicContact CG2-CB 4.36Å; D335-Q338 HydrophobicContact CB-CG 4.27Å; D335-Q338 WeakPolarHBondContact O-CA 3.48Å; D335-Q338 WeakPolarHBondContact O-CB 3.35Å; D335-Q338 PolarHBondContact O-N 3.45Å; A336-Q338 VanDerWaalsContact C-N 3.29Å; Q338-L340 PolarHBondContact O-N 3.3Å; Q338-F341 PolarHBondContact O-N 3.11Å |
| 339 | E | 88.3 | Confident | 90 | Very high | 121 Ų | 121 | 75.8 Ų | 75.8 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -52.6 | -31.6 | -175.7 | -69.6 | 179 | 178.9 | 0 | 0 | 113.4 | D335 F341 V342 | D335-E339 PolarHBondContact O-N 3.18Å; E339-F341 PolarHBondContact O-N 2.95Å; E339-V342 PolarHBondContact O-N 2.86Å |
| 340 | L | 90.4 | Very high | 90.3 | Very high | 83 Ų | 83 | 74 Ų | 74 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -67.2 | -14.8 | 179.3 | -59.4 | 176.2 | 0 | 0 | 0 | 114.2 | R314 Q338 | R314-L340 WeakPolarHBondContact CD-O 3.16Å; Q338-L340 PolarHBondContact O-N 3.3Å |
| 341 | F | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -120.5 | 16.7 | -179.3 | -59.5 | -74.8 | 0 | 0 | 0 | 112.4 | L293 A296 V300 R314 I317 M319 Q338 E339 H343 | L293-F341 HydrophobicContact CD2-CD2 3.78Å; L293-F341 HydrophobicContact CD2-CE2 3.98Å; A296-F341 HydrophobicContact CB-CD1 4.49Å; A296-F341 HydrophobicContact CB-CE1 3.8Å; A296-F341 HydrophobicContact CB-CE2 4.03Å; A296-F341 HydrophobicContact CB-CZ 3.53Å; V300-F341 HydrophobicContact CG2-CE1 4.18Å; R314-F341 HydrophobicContact CG-CE1 4.16Å; I317-F341 HydrophobicContact CB-CD1 4.15Å; I317-F341 HydrophobicContact CB-CE1 4.27Å; I317-F341 HydrophobicContact CD1-CE1 4.14Å; I317-F341 HydrophobicContact CG2-CD1 3.96Å; I317-F341 HydrophobicContact CG2-CE1 4.14Å; M319-F341 HydrophobicContact CE-CB 4.1Å; M319-F341 HydrophobicContact CE-CD1 4.06Å; M319-F341 HydrophobicContact CE-CD2 3.5Å; M319-F341 VanDerWaalsContact CE-CD2 3.5Å; M319-F341 HydrophobicContact CE-CE1 4.38Å; M319-F341 HydrophobicContact CE-CE2 3.85Å; M319-F341 HydrophobicContact CE-CG 3.61Å; M319-F341 HydrophobicContact CE-CZ 4.28Å; M319-F341 HydrophobicContact CG-CB 4.39Å; M319-F341 HydrophobicContact SD-CB 3.95Å; M319-F341 HydrophobicContact SD-CD2 4.06Å; M319-F341 HydrophobicContact SD-CG 4.1Å; Q338-F341 PolarHBondContact O-N 3.11Å; E339-F341 PolarHBondContact O-N 2.95Å; F341-H343 PolarHBondContact O-CD2 3.1Å; F341-H343 VanDerWaalsContact O-CD2 3.27Å; F341-H343 PolarHBondContact O-NE2 2.8Å |
| 342 | V | 95.4 | Very high | 91.1 | Very high | 31 Ų | 31 | 67 Ų | 67 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | trans | -85.9 | 120.9 | 173.8 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | L326 K328 T334 E339 | L326-V342 HydrophobicContact CB-CG2 4.44Å; K328-V342 HydrophobicContact CG-CG1 3.94Å; T334-V342 HydrophobicContact CG2-CG2 3.74Å; E339-V342 PolarHBondContact O-N 2.86Å | ||
| 343 | H | 95.4 | Very high | 91.5 | Very high | 24 Ų | 24 | 65.3 Ų | 65.3 | 11% | 0.111 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -108.4 | 168 | -177.1 | -62.2 | -66.9 | 0 | 0 | 0 | 112.6 | R314 I317 W318 L326 V327 K328 F341 | R314-H343 PolarHBondContact O-CE1 3Å; R314-H343 VanDerWaalsContact O-CE1 3.31Å; I317-H343 PolarHBondContact O-NE2 3.32Å; W318-H343 AromaticContact CD2-CD2 3.79Å; W318-H343 HydrophobicContact CE3-CB 4.19Å; W318-H343 AromaticContact CE3-CD2 3.64Å; W318-H343 HydrophobicContact CH2-CB 3.5Å; W318-H343 AromaticContact CH2-CG 3.86Å; W318-H343 HydrophobicContact CZ2-CB 4.22Å; W318-H343 HydrophobicContact CZ3-CB 3.48Å; W318-H343 VanDerWaalsContact CZ3-CB 3.48Å; W318-H343 AromaticContact CZ3-CD2 3.84Å; W318-H343 AromaticContact CZ3-CG 3.88Å; L326-H343 PolarHBondContact O-N 3.44Å; V327-H343 CarbonylContact C-O 3.53Å; V327-H343 WeakPolarHBondContact CA-O 3.39Å; V327-H343 WeakPolarHBondContact CB-O 3.1Å; K328-H343 PolarHBondContact N-O 2.95Å; F341-H343 PolarHBondContact O-CD2 3.1Å; F341-H343 VanDerWaalsContact O-CD2 3.27Å; F341-H343 PolarHBondContact O-NE2 2.8Å |
| 344 | D | 95.4 | Very high | 92 | Very high | 106 Ų | 106 | 58.2 Ų | 58.2 | 57% | 0.567 | 33% | 0.332 | S | S | * | . | trans | -62 | 144.7 | 164.8 | -68.5 | -56.3 | 0 | 0 | 0 | 110.5 | K328 P346 | K328-D344 VanDerWaalsContact CD-OD1 3.28Å; K328-D344 WeakPolarHBondContact CD-OD1 2.81Å; K328-D344 WeakPolarHBondContact CE-OD1 2.98Å; K328-D344 IonicContact NZ-OD1 3.12Å; K328-D344 PolarHBondContact NZ-OD1 2.79Å; K328-D344 IonicContact NZ-OD2 2.65Å; K328-D344 PolarHBondContact NZ-OD2 3.41Å; K328-D344 VanDerWaalsContact NZ-OD2 3.12Å; D344-P346 WeakPolarHBondContact O-CD 3.35Å | ||
| 345 | S | 93.6 | Very high | 92.6 | Very high | 70 Ų | 70 | 56.4 Ų | 56.4 | 49% | 0.49 | 32% | 0.321 | S | S | . | . | trans | -63.9 | 125.2 | -177.8 | 179.2 | 0 | 0 | 0 | 0 | 111 | G347 | S345-G347 PolarHBondContact O-N 2.96Å; S345-G347 PolarHBondContact OG-N 3.09Å; S345-G347 PolarHBondContact OG-O 3.25Å | ||
| 346 | P | 93.4 | Very high | 93.3 | Very high | 48 Ų | 48 | 52.8 Ų | 52.8 | 31% | 0.312 | 30% | 0.302 | S | S | . | . | trans | -81 | 10.7 | 177.6 | 36.2 | -37.4 | 0 | 0 | 0 | 112.8 | W318 L325 D344 V349 T358 I359 | W318-P346 HydrophobicContact CZ3-CG 4.29Å; L325-P346 HydrophobicContact CD2-CG 3.75Å; D344-P346 WeakPolarHBondContact O-CD 3.35Å; P346-V349 HydrophobicContact CG-CG2 4.01Å; P346-T358 HydrophobicContact CB-CG2 3.77Å; P346-T358 HydrophobicContact CG-CG2 4.08Å; P346-I359 HydrophobicContact CB-CD1 4.26Å; P346-I359 HydrophobicContact CG-CD1 4.07Å | ||
| 347 | G | 91.1 | Very high | 94 | Very high | 44 Ų | 44 | 53.4 Ų | 53.4 | 45% | 0.454 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 116.6 | -148.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S345 V349 | S345-G347 PolarHBondContact O-N 2.96Å; S345-G347 PolarHBondContact OG-N 3.09Å; S345-G347 PolarHBondContact OG-O 3.25Å; G347-V349 PolarHBondContact O-N 3.43Å |
| 348 | N | 89.8 | Confident | 94.8 | Very high | 130 Ų | 130 | 54.6 Ų | 54.6 | 70% | 0.695 | 31% | 0.306 | S | S | * | . | trans | -84.2 | 95.8 | -176.1 | -172.2 | 27.6 | 0 | 0 | 0 | 111.4 | Q350 | N348-Q350 WeakPolarHBondContact OD1-CG 3.26Å; N348-Q350 PolarHBondContact OD1-NE2 3.04Å | ||
| 349 | V | 95.6 | Very high | 95.2 | Very high | 23 Ų | 23 | 53.8 Ų | 53.8 | 14% | 0.139 | 30% | 0.302 | C | S | . | . | trans | -115.5 | 109.1 | 176.5 | 176.3 | 0 | 0 | 0 | 0 | 109 | Y320 L325 P346 G347 D354 A355 T358 | Y320-V349 HydrophobicContact CE2-CG1 4.42Å; L325-V349 HydrophobicContact CB-CG1 4.23Å; L325-V349 HydrophobicContact CD2-CB 4.46Å; L325-V349 HydrophobicContact CD2-CG1 4.3Å; L325-V349 HydrophobicContact CD2-CG2 4.36Å; P346-V349 HydrophobicContact CG-CG2 4.01Å; G347-V349 PolarHBondContact O-N 3.43Å; V349-D354 HydrophobicContact CG1-CB 4.14Å; V349-A355 HydrophobicContact CG1-CB 3.77Å; V349-T358 HydrophobicContact CG2-CG2 4.3Å | ||
| 350 | Q | 93.6 | Very high | 95.7 | Very high | 133 Ų | 133 | 53.9 Ų | 53.9 | 62% | 0.621 | 30% | 0.301 | S | S | * | . | trans | -109.6 | -27.1 | -177.1 | -62.2 | -62.6 | -29.7 | 0 | 0 | 112.7 | Y320 N348 D354 | Y320-Q350 PolarHBondContact OH-O 3.49Å; Y320-Q350 VanDerWaalsContact OH-O 3.14Å; N348-Q350 WeakPolarHBondContact OD1-CG 3.26Å; N348-Q350 PolarHBondContact OD1-NE2 3.04Å; Q350-D354 PolarHBondContact N-OD2 3.46Å | ||
| 351 | T | 97.4 | Very high | 96.1 | Very high | 62 Ų | 62 | 50 Ų | 50 | 38% | 0.38 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -125.5 | 163.3 | -178.8 | 69.3 | 0 | 0 | 0 | 0 | 111.5 | Y320 L353 D354 A355 | Y320-T351 WeakPolarHBondContact OH-CA 3.4Å; T351-L353 PolarHBondContact O-N 3.27Å; T351-D354 PolarHBondContact N-OD2 3.47Å; T351-D354 WeakPolarHBondContact O-CB 3.34Å; T351-D354 PolarHBondContact O-N 3.48Å; T351-D354 VanDerWaalsContact O-N 3.14Å; T351-D354 PolarHBondContact OG1-N 2.9Å; T351-D354 VanDerWaalsContact OG1-N 3.09Å; T351-D354 PolarHBondContact OG1-OD1 3.3Å; T351-D354 PolarHBondContact OG1-OD2 3.34Å; T351-A355 PolarHBondContact O-N 2.87Å |
| 352 | F | 98.1 | Very high | 96.2 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.4 | -32.4 | 173 | -170.9 | -107.6 | 0 | 0 | 0 | 112.2 | L284 L286 Y320 A355 V356 I364 F374 V378 | L284-F352 HydrophobicContact CD1-CE2 4.27Å; L284-F352 HydrophobicContact CD2-CD2 4.42Å; L284-F352 HydrophobicContact CD2-CE2 3.7Å; L284-F352 HydrophobicContact CD2-CZ 3.8Å; L284-F352 HydrophobicContact CG-CE2 3.72Å; L284-F352 HydrophobicContact CG-CZ 3.93Å; L286-F352 HydrophobicContact CB-CD2 4.25Å; L286-F352 HydrophobicContact CB-CE1 4.44Å; L286-F352 HydrophobicContact CB-CE2 3.68Å; L286-F352 HydrophobicContact CB-CZ 3.8Å; L286-F352 HydrophobicContact CD1-CB 4.45Å; L286-F352 HydrophobicContact CD1-CD2 3.64Å; L286-F352 HydrophobicContact CD1-CE2 3.99Å; L286-F352 HydrophobicContact CD1-CG 3.99Å; L286-F352 HydrophobicContact CG-CD2 4.47Å; L286-F352 HydrophobicContact CG-CE2 4.38Å; Y320-F352 HydrophobicContact CD1-CD2 4.17Å; Y320-F352 HydrophobicContact CD2-CD2 4Å; Y320-F352 HydrophobicContact CE2-CB 4.46Å; Y320-F352 AromaticContact CG-CD2 3.73Å; Y320-F352 HydrophobicContact CG-CD2 3.73Å; Y320-F352 HydrophobicContact CG-CE2 4.46Å; F352-A355 WeakPolarHBondContact O-CB 3.31Å; F352-A355 PolarHBondContact O-N 2.86Å; F352-V356 HydrophobicContact CD1-CG2 4.21Å; F352-V356 HydrophobicContact CE1-CG2 3.9Å; F352-V356 HydrophobicContact CZ-CG2 4.32Å; F352-V356 WeakPolarHBondContact O-CG2 2.99Å; F352-V356 PolarHBondContact O-N 3.44Å; F352-I364 HydrophobicContact CZ-CG2 4.27Å; F352-F374 HydrophobicContact CD1-CD1 4.35Å; F352-F374 HydrophobicContact CD1-CE1 4.4Å; F352-F374 AromaticContact CE1-CD1 3.76Å; F352-F374 HydrophobicContact CE1-CD1 3.76Å; F352-F374 AromaticContact CE1-CE1 3.5Å; F352-F374 HydrophobicContact CE1-CE1 3.5Å; F352-F374 HydrophobicContact CZ-CD1 4.5Å; F352-F374 AromaticContact CZ-CE1 3.8Å; F352-F374 HydrophobicContact CZ-CE1 3.8Å; F352-V378 HydrophobicContact CD1-CG1 4.09Å; F352-V378 HydrophobicContact CD1-CG2 4.07Å; F352-V378 HydrophobicContact CE1-CG1 3.96Å |
| 353 | L | 98.4 | Very high | 96.4 | Very high | 46 Ų | 46 | 49.8 Ų | 49.8 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 173.3 | 178.9 | 60.2 | 0 | 0 | 0 | 111.6 | T351 A355 V356 N357 D377 V378 A381 | T351-L353 PolarHBondContact O-N 3.27Å; L353-A355 VanDerWaalsContact C-N 3.27Å; L353-A355 PolarHBondContact O-N 2.98Å; L353-V356 PolarHBondContact O-N 3.37Å; L353-N357 PolarHBondContact O-N 3.04Å; L353-N357 PolarHBondContact O-ND2 3.02Å; L353-D377 HydrophobicContact CD1-CB 4.49Å; L353-D377 HydrophobicContact CD2-CB 3.87Å; L353-V378 HydrophobicContact CB-CG2 4.03Å; L353-V378 HydrophobicContact CD1-CG2 4.14Å; L353-A381 HydrophobicContact CD1-CB 3.86Å |
| 354 | D | 98.1 | Very high | 96.6 | Very high | 52 Ų | 52 | 48.6 Ų | 48.6 | 28% | 0.278 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 174 | -57.4 | -35.9 | 0 | 0 | 0 | 110.8 | V349 Q350 T351 N357 T358 | V349-D354 HydrophobicContact CG1-CB 4.14Å; Q350-D354 PolarHBondContact N-OD2 3.46Å; T351-D354 PolarHBondContact N-OD2 3.47Å; T351-D354 WeakPolarHBondContact O-CB 3.34Å; T351-D354 PolarHBondContact O-N 3.48Å; T351-D354 VanDerWaalsContact O-N 3.14Å; T351-D354 PolarHBondContact OG1-N 2.9Å; T351-D354 VanDerWaalsContact OG1-N 3.09Å; T351-D354 PolarHBondContact OG1-OD1 3.3Å; T351-D354 PolarHBondContact OG1-OD2 3.34Å; D354-N357 PolarHBondContact O-N 3.38Å; D354-T358 WeakPolarHBondContact O-CB 3.11Å; D354-T358 PolarHBondContact O-N 2.78Å; D354-T358 PolarHBondContact O-OG1 2.76Å |
| 355 | A | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L284 Y320 L325 V349 T351 F352 L353 N357 T358 I359 | L284-A355 HydrophobicContact CD2-CB 4Å; Y320-A355 HydrophobicContact CD2-CB 4Å; Y320-A355 HydrophobicContact CE2-CB 4.36Å; L325-A355 HydrophobicContact CD1-CB 4.26Å; V349-A355 HydrophobicContact CG1-CB 3.77Å; T351-A355 PolarHBondContact O-N 2.87Å; F352-A355 WeakPolarHBondContact O-CB 3.31Å; F352-A355 PolarHBondContact O-N 2.86Å; L353-A355 VanDerWaalsContact C-N 3.27Å; L353-A355 PolarHBondContact O-N 2.98Å; A355-N357 PolarHBondContact O-N 2.82Å; A355-T358 PolarHBondContact O-N 2.99Å; A355-I359 VanDerWaalsContact O-CB 3.22Å; A355-I359 WeakPolarHBondContact O-CB 3.37Å; A355-I359 VanDerWaalsContact O-CG1 3.27Å; A355-I359 WeakPolarHBondContact O-CG1 3.38Å; A355-I359 PolarHBondContact O-N 3.19Å |
| 356 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | L284 F352 L353 T358 K360 P361 I364 V378 A381 M382 L385 | L284-V356 HydrophobicContact CD2-CG2 3.69Å; F352-V356 HydrophobicContact CD1-CG2 4.21Å; F352-V356 HydrophobicContact CE1-CG2 3.9Å; F352-V356 HydrophobicContact CZ-CG2 4.32Å; F352-V356 WeakPolarHBondContact O-CG2 2.99Å; F352-V356 PolarHBondContact O-N 3.44Å; L353-V356 PolarHBondContact O-N 3.37Å; V356-T358 VanDerWaalsContact C-N 3.33Å; V356-T358 PolarHBondContact O-N 2.62Å; V356-K360 VanDerWaalsContact O-CA 3.28Å; V356-K360 WeakPolarHBondContact O-CA 3.38Å; V356-K360 PolarHBondContact O-N 3.15Å; V356-P361 HydrophobicContact CG2-CG 4.5Å; V356-P361 WeakPolarHBondContact O-CD 3.38Å; V356-I364 HydrophobicContact CG2-CG2 4.21Å; V356-V378 HydrophobicContact CG2-CG1 4.29Å; V356-A381 HydrophobicContact CG1-CB 3.9Å; V356-M382 HydrophobicContact CG1-CG 4.25Å; V356-M382 HydrophobicContact CG1-SD 3.93Å; V356-L385 HydrophobicContact CG1-CD1 4.03Å |
| 357 | N | 98.2 | Very high | 97 | Very high | 72 Ų | 72 | 39.1 Ų | 39.1 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.8 | -32.9 | -178.5 | -72.3 | -35.3 | 0 | 0 | 0 | 113.2 | L353 D354 A355 K360 | L353-N357 PolarHBondContact O-N 3.04Å; L353-N357 PolarHBondContact O-ND2 3.02Å; D354-N357 PolarHBondContact O-N 3.38Å; A355-N357 PolarHBondContact O-N 2.82Å; N357-K360 WeakPolarHBondContact O-CG 3.34Å |
| 358 | T | 97.8 | Very high | 97 | Very high | 61 Ų | 61 | 39.1 Ų | 39.1 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -81.2 | -50.8 | -178.4 | -56 | 0 | 0 | 0 | 0 | 111.5 | P346 V349 D354 A355 V356 | P346-T358 HydrophobicContact CB-CG2 3.77Å; P346-T358 HydrophobicContact CG-CG2 4.08Å; V349-T358 HydrophobicContact CG2-CG2 4.3Å; D354-T358 WeakPolarHBondContact O-CB 3.11Å; D354-T358 PolarHBondContact O-N 2.78Å; D354-T358 PolarHBondContact O-OG1 2.76Å; A355-T358 PolarHBondContact O-N 2.99Å; V356-T358 VanDerWaalsContact C-N 3.33Å; V356-T358 PolarHBondContact O-N 2.62Å |
| 359 | I | 97.8 | Very high | 96.9 | Very high | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -75.3 | -29.4 | -176.6 | -59.6 | -51.9 | 0 | 0 | 0 | 111.6 | R282 W318 P346 A355 | R282-I359 WeakPolarHBondContact CD-O 3.41Å; R282-I359 HydrophobicContact CG-CG2 4.32Å; R282-I359 PolarHBondContact NH1-O 2.92Å; W318-I359 HydrophobicContact CB-CG2 4.41Å; W318-I359 HydrophobicContact CD2-CD1 3.56Å; W318-I359 HydrophobicContact CD2-CG1 4.05Å; W318-I359 HydrophobicContact CD2-CG2 4.24Å; W318-I359 HydrophobicContact CE3-CD1 3.6Å; W318-I359 HydrophobicContact CE3-CG1 4.24Å; W318-I359 HydrophobicContact CG-CD1 4.23Å; W318-I359 HydrophobicContact CG-CG1 4.23Å; W318-I359 HydrophobicContact CG-CG2 3.8Å; W318-I359 HydrophobicContact CH2-CD1 3.88Å; W318-I359 HydrophobicContact CZ2-CD1 3.87Å; W318-I359 HydrophobicContact CZ3-CD1 3.75Å; P346-I359 HydrophobicContact CB-CD1 4.26Å; P346-I359 HydrophobicContact CG-CD1 4.07Å; A355-I359 VanDerWaalsContact O-CB 3.22Å; A355-I359 WeakPolarHBondContact O-CB 3.37Å; A355-I359 VanDerWaalsContact O-CG1 3.27Å; A355-I359 WeakPolarHBondContact O-CG1 3.38Å; A355-I359 PolarHBondContact O-N 3.19Å |
| 360 | K | 98.1 | Very high | 96.7 | Very high | 123 Ų | 123 | 36.3 Ų | 36.3 | 54% | 0.535 | 21% | 0.212 | S | C | . | . | trans | 52 | 57.7 | -174.6 | -56.2 | -179.8 | -179.2 | 178.3 | 0 | 111.8 | V356 N357 L385 | V356-K360 VanDerWaalsContact O-CA 3.28Å; V356-K360 WeakPolarHBondContact O-CA 3.38Å; V356-K360 PolarHBondContact O-N 3.15Å; N357-K360 WeakPolarHBondContact O-CG 3.34Å; K360-L385 HydrophobicContact CB-CD1 4.44Å; K360-L385 HydrophobicContact CB-CD2 4.29Å; K360-L385 HydrophobicContact CD-CD2 4.14Å; K360-L385 HydrophobicContact CG-CD1 4.45Å; K360-L385 HydrophobicContact CG-CD2 3.92Å | ||
| 361 | P | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -67.8 | 151.7 | -177.9 | 31.3 | -34.6 | 0 | 0 | 0 | 111.1 | R282 L284 V356 I364 M382 N386 | R282-P361 CarbonylContact O-C 3.44Å; R282-P361 WeakPolarHBondContact O-CA 3.47Å; R282-P361 WeakPolarHBondContact O-CB 3.44Å; L284-P361 HydrophobicContact CB-CB 3.72Å; L284-P361 HydrophobicContact CB-CG 3.8Å; L284-P361 HydrophobicContact CD2-CG 4.03Å; V356-P361 HydrophobicContact CG2-CG 4.5Å; V356-P361 WeakPolarHBondContact O-CD 3.38Å; P361-I364 HydrophobicContact CG-CG2 3.94Å; P361-M382 HydrophobicContact CG-SD 3.85Å; P361-M382 WeakPolarHBondContact O-CE 3.34Å; P361-N386 PolarHBondContact O-ND2 3.07Å | ||
| 362 | T | 98.4 | Very high | 96.3 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 17% | 0.166 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -87.4 | -23 | 169.6 | 57.8 | 0 | 0 | 0 | 0 | 111.8 | H281 R282 N386 I390 | H281-T362 WeakPolarHBondContact CA-OG1 3.13Å; H281-T362 WeakPolarHBondContact CB-OG1 3.33Å; H281-T362 WeakPolarHBondContact ND1-CB 3.49Å; H281-T362 PolarHBondContact ND1-OG1 3.43Å; R282-T362 PolarHBondContact N-OG1 3.26Å; R282-T362 PolarHBondContact O-N 3.5Å; R282-T362 PolarHBondContact O-OG1 3.17Å; T362-N386 WeakPolarHBondContact CA-OD1 3.17Å; T362-I390 PolarHBondContact O-N 2.89Å; T362-I390 VanDerWaalsContact O-N 3.11Å |
| 363 | A | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 134.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L267 R282 V283 L284 I390 | L267-A363 HydrophobicContact CD2-CB 4.21Å; R282-A363 PolarHBondContact O-N 3.28Å; V283-A363 WeakPolarHBondContact CA-O 3.07Å; V283-A363 HydrophobicContact CG1-CB 4.43Å; V283-A363 HydrophobicContact CG2-CB 4.34Å; L284-A363 PolarHBondContact N-O 2.7Å; A363-I390 WeakPolarHBondContact CA-O 3.4Å; A363-I390 HydrophobicContact CB-CB 3.72Å; A363-I390 HydrophobicContact CB-CD1 4.16Å; A363-I390 HydrophobicContact CB-CG1 4.48Å; A363-I390 HydrophobicContact CB-CG2 4.03Å |
| 364 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.2 | 166.2 | 56.2 | 171.2 | 0 | 0 | 0 | 110.2 | L284 F352 V356 P361 F374 V378 M382 I390 I391 F392 | L284-I364 HydrophobicContact CB-CG2 4.28Å; L284-I364 HydrophobicContact CD2-CG2 4.49Å; L284-I364 VanDerWaalsContact O-CA 3.3Å; L284-I364 WeakPolarHBondContact O-CA 3.27Å; F352-I364 HydrophobicContact CZ-CG2 4.27Å; V356-I364 HydrophobicContact CG2-CG2 4.21Å; P361-I364 HydrophobicContact CG-CG2 3.94Å; I364-F374 HydrophobicContact CB-CE1 4.41Å; I364-F374 HydrophobicContact CB-CE2 4.4Å; I364-F374 HydrophobicContact CB-CZ 3.95Å; I364-F374 HydrophobicContact CD1-CD1 4.07Å; I364-F374 HydrophobicContact CD1-CD2 3.78Å; I364-F374 HydrophobicContact CD1-CE1 4.03Å; I364-F374 HydrophobicContact CD1-CE2 3.74Å; I364-F374 HydrophobicContact CD1-CG 3.95Å; I364-F374 HydrophobicContact CD1-CZ 3.86Å; I364-F374 HydrophobicContact CG1-CD2 4.44Å; I364-F374 HydrophobicContact CG1-CE2 3.92Å; I364-F374 HydrophobicContact CG1-CZ 3.97Å; I364-V378 HydrophobicContact CD1-CG1 3.91Å; I364-M382 HydrophobicContact CD1-CG 3.72Å; I364-M382 HydrophobicContact CG1-CE 4.26Å; I364-M382 HydrophobicContact CG1-CG 4.11Å; I364-M382 HydrophobicContact CG1-SD 4.41Å; I364-M382 HydrophobicContact CG2-CE 4.06Å; I364-M382 HydrophobicContact CG2-CG 4.19Å; I364-M382 HydrophobicContact CG2-SD 3.63Å; I364-I390 PolarHBondContact N-O 3.1Å; I364-I391 HydrophobicContact CD1-CG1 4.29Å; I364-I391 HydrophobicContact CD1-CG2 4.17Å; I364-I391 HydrophobicContact CG1-CB 4.37Å; I364-I391 HydrophobicContact CG1-CG1 4.13Å; I364-I391 HydrophobicContact CG1-CG2 4.24Å; I364-F392 PolarHBondContact O-N 2.77Å |
| 365 | I | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 116.4 | -178.3 | -54.6 | -178.8 | 0 | 0 | 0 | 109.5 | L267 V283 L284 F285 L286 I295 V367 F392 L394 | L267-I365 HydrophobicContact CD1-CD1 4.02Å; L267-I365 HydrophobicContact CD2-CD1 4.42Å; L267-I365 HydrophobicContact CG-CD1 4.48Å; V283-I365 HydrophobicContact CG1-CD1 3.66Å; V283-I365 HydrophobicContact CG1-CG1 4.04Å; L284-I365 PolarHBondContact O-N 3.1Å; F285-I365 CarbonylContact C-O 3.6Å; F285-I365 VanDerWaalsContact CA-O 3.31Å; F285-I365 WeakPolarHBondContact CA-O 3.47Å; F285-I365 HydrophobicContact CD1-CB 3.76Å; F285-I365 HydrophobicContact CD1-CG2 3.93Å; F285-I365 HydrophobicContact CE1-CB 3.79Å; F285-I365 HydrophobicContact CE1-CD1 3.83Å; F285-I365 HydrophobicContact CE1-CG1 4.35Å; F285-I365 HydrophobicContact CE1-CG2 3.76Å; F285-I365 HydrophobicContact CZ-CD1 3.87Å; L286-I365 PolarHBondContact N-O 3.45Å; I295-I365 HydrophobicContact CD1-CG2 4.26Å; I295-I365 HydrophobicContact CG2-CD1 4.33Å; I365-V367 HydrophobicContact CG2-CG1 4.29Å; I365-F392 HydrophobicContact CB-CB 4.42Å; I365-F392 HydrophobicContact CD1-CD2 4.28Å; I365-F392 HydrophobicContact CG1-CB 4.19Å; I365-F392 HydrophobicContact CG1-CD2 4.21Å; I365-F392 HydrophobicContact CG1-CG 4.48Å; I365-F392 HydrophobicContact CG2-CB 4.19Å; I365-L394 HydrophobicContact CG2-CD1 3.78Å; I365-L394 HydrophobicContact CG2-CG 4.36Å |
| 366 | G | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F392 L394 S395 E402 | G366-F392 PolarHBondContact N-O 2.81Å; G366-L394 WeakPolarHBondContact O-CA 3.36Å; G366-L394 VanDerWaalsContact O-CB 3.31Å; G366-L394 WeakPolarHBondContact O-CB 3.3Å; G366-L394 PolarHBondContact O-N 3.44Å; G366-S395 PolarHBondContact O-N 2.72Å; G366-E402 VanDerWaalsContact C-CD 3.4Å; G366-E402 VanDerWaalsContact CA-OE1 3.3Å; G366-E402 WeakPolarHBondContact CA-OE1 3.36Å |
| 367 | V | 94.2 | Very high | 96.3 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | trans | -145 | 27.5 | -179 | -72.2 | 0 | 0 | 0 | 0 | 111.3 | F285 L286 A291 A292 I295 I365 L394 E402 | F285-V367 HydrophobicContact CD1-CG2 4.37Å; L286-V367 PolarHBondContact O-N 2.85Å; A291-V367 HydrophobicContact CB-CB 3.97Å; A291-V367 HydrophobicContact CB-CG1 3.88Å; A291-V367 HydrophobicContact CB-CG2 4.43Å; A292-V367 HydrophobicContact CB-CG2 3.69Å; I295-V367 HydrophobicContact CD1-CG1 4.09Å; I365-V367 HydrophobicContact CG2-CG1 4.29Å; V367-L394 HydrophobicContact CG1-CB 3.89Å; V367-L394 HydrophobicContact CG1-CD1 4.21Å; V367-E402 PolarHBondContact N-OE1 2.92Å | ||
| 368 | A | 91.4 | Very high | 96.3 | Very high | 44 Ų | 44 | 40.1 Ų | 40.1 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -86.8 | -16.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L286 A370 S395 E402 | L286-A368 HydrophobicContact CG-CB 4.24Å; L286-A368 PolarHBondContact O-N 2.97Å; A368-A370 HydrophobicContact CB-CB 4.27Å; A368-A370 PolarHBondContact O-N 3.19Å; A368-S395 PolarHBondContact N-OG 2.75Å; A368-E402 PolarHBondContact N-OE1 3.13Å |
| 369 | G | 89 | Confident | 96.3 | Very high | 36 Ų | 36 | 37.2 Ų | 37.2 | 37% | 0.371 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 66.9 | 12.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S395 K400 | G369-S395 WeakPolarHBondContact CA-OG 3.14Å; G369-S395 PolarHBondContact N-OG 3.38Å; G369-K400 WeakPolarHBondContact O-CD 3.35Å |
| 370 | A | 89.8 | Confident | 96.4 | Very high | 58 Ų | 58 | 41.9 Ų | 41.9 | 48% | 0.479 | 23% | 0.231 | S | C | . | . | trans | -99 | -18 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A368 L373 | A368-A370 HydrophobicContact CB-CB 4.27Å; A368-A370 PolarHBondContact O-N 3.19Å; A370-L373 HydrophobicContact CB-CD1 3.58Å; A370-L373 HydrophobicContact CB-CG 4.37Å | ||
| 371 | G | 90.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | trans | 67.7 | 148.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L373 K400 A401 | G371-L373 WeakPolarHBondContact O-CG 3.41Å; G371-L373 PolarHBondContact O-N 3.36Å; G371-K400 WeakPolarHBondContact CA-O 3.35Å; G371-K400 PolarHBondContact N-O 2.93Å; G371-K400 VanDerWaalsContact N-O 3.15Å; G371-A401 WeakPolarHBondContact CA-O 3.44Å | ||
| 372 | R | 94.1 | Very high | 96.4 | Very high | 142 Ų | 142 | 36.6 Ų | 36.6 | 54% | 0.536 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 55.9 | 27.5 | 169 | -55.6 | -58.6 | -166.7 | 155.4 | 5.5 | 116 | A401 E402 E407 | R372-A401 PolarHBondContact N-O 2.81Å; R372-E402 CarbonylContact C-O 3.54Å; R372-E402 VanDerWaalsContact C-O 3.29Å; R372-E402 WeakPolarHBondContact CA-O 3.33Å; R372-E402 PolarHBondContact N-O 3.37Å; R372-E407 IonicContact CZ-OE1 3.62Å; R372-E407 IonicContact NH1-OE1 2.6Å; R372-E407 PolarHBondContact NH1-OE1 3.17Å; R372-E407 IonicContact NH1-OE2 3.04Å; R372-E407 PolarHBondContact NH1-OE2 3.2Å |
| 373 | L | 96.6 | Very high | 96.4 | Very high | 72 Ų | 72 | 35.6 Ų | 35.6 | 38% | 0.377 | 21% | 0.205 | S | C | . | . | trans | -95.8 | -16.1 | -179.7 | -70.1 | -179.6 | 0 | 0 | 0 | 113.9 | L286 A370 G371 T375 E402 | L286-L373 HydrophobicContact CD1-CD1 4.33Å; L286-L373 HydrophobicContact CD2-CB 3.34Å; L286-L373 HydrophobicContact CD2-CD1 3.74Å; L286-L373 HydrophobicContact CD2-CG 4.19Å; L286-L373 HydrophobicContact CG-CD1 4.35Å; A370-L373 HydrophobicContact CB-CD1 3.58Å; A370-L373 HydrophobicContact CB-CG 4.37Å; G371-L373 WeakPolarHBondContact O-CG 3.41Å; G371-L373 PolarHBondContact O-N 3.36Å; L373-T375 PolarHBondContact O-N 2.94Å; L373-E402 PolarHBondContact N-O 3.42Å; L373-E402 VanDerWaalsContact N-O 3.12Å | ||
| 374 | F | 98.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -82.9 | 75 | 164.3 | -68.4 | -6.6 | 0 | 0 | 0 | 108.1 | L286 F352 I364 V378 I379 I391 F392 E402 C403 | L286-F374 HydrophobicContact CB-CE1 3.85Å; L286-F374 HydrophobicContact CB-CZ 4.45Å; L286-F374 HydrophobicContact CD2-CD1 4.01Å; L286-F374 HydrophobicContact CD2-CE1 3.73Å; L286-F374 HydrophobicContact CG-CE1 4.47Å; F352-F374 HydrophobicContact CD1-CD1 4.35Å; F352-F374 HydrophobicContact CD1-CE1 4.4Å; F352-F374 AromaticContact CE1-CD1 3.76Å; F352-F374 HydrophobicContact CE1-CD1 3.76Å; F352-F374 AromaticContact CE1-CE1 3.5Å; F352-F374 HydrophobicContact CE1-CE1 3.5Å; F352-F374 HydrophobicContact CZ-CD1 4.5Å; F352-F374 AromaticContact CZ-CE1 3.8Å; F352-F374 HydrophobicContact CZ-CE1 3.8Å; I364-F374 HydrophobicContact CB-CE1 4.41Å; I364-F374 HydrophobicContact CB-CE2 4.4Å; I364-F374 HydrophobicContact CB-CZ 3.95Å; I364-F374 HydrophobicContact CD1-CD1 4.07Å; I364-F374 HydrophobicContact CD1-CD2 3.78Å; I364-F374 HydrophobicContact CD1-CE1 4.03Å; I364-F374 HydrophobicContact CD1-CE2 3.74Å; I364-F374 HydrophobicContact CD1-CG 3.95Å; I364-F374 HydrophobicContact CD1-CZ 3.86Å; I364-F374 HydrophobicContact CG1-CD2 4.44Å; I364-F374 HydrophobicContact CG1-CE2 3.92Å; I364-F374 HydrophobicContact CG1-CZ 3.97Å; F374-V378 HydrophobicContact CB-CG1 4.41Å; F374-V378 HydrophobicContact CD1-CG1 4.28Å; F374-I379 HydrophobicContact CB-CG1 4.35Å; F374-I379 WeakPolarHBondContact O-CD1 3.39Å; F374-I391 HydrophobicContact CD2-CG2 3.88Å; F374-I391 HydrophobicContact CE2-CG2 4.12Å; F374-F392 WeakPolarHBondContact CE2-O 3.41Å; F374-E402 HydrophobicContact CB-CB 4Å; F374-E402 HydrophobicContact CD1-CB 3.94Å; F374-E402 HydrophobicContact CD1-CG 4.28Å; F374-E402 HydrophobicContact CD2-CB 3.5Å; F374-E402 VanDerWaalsContact CD2-CB 3.5Å; F374-E402 HydrophobicContact CD2-CG 4.34Å; F374-E402 HydrophobicContact CE1-CB 4.27Å; F374-E402 HydrophobicContact CE1-CG 4.21Å; F374-E402 HydrophobicContact CE2-CB 3.88Å; F374-E402 HydrophobicContact CE2-CG 4.28Å; F374-E402 HydrophobicContact CG-CB 3.54Å; F374-E402 HydrophobicContact CG-CG 4.35Å; F374-E402 HydrophobicContact CZ-CB 4.25Å; F374-E402 HydrophobicContact CZ-CG 4.23Å; F374-E402 PolarHBondContact N-O 3.04Å; F374-C403 HydrophobicContact CB-CB 3.93Å |
| 375 | T | 98.3 | Very high | 96.4 | Very high | 63 Ų | 63 | 43.8 Ų | 43.8 | 39% | 0.387 | 26% | 0.257 | S | S | . | . | trans | -60.8 | 163.9 | -179.4 | 69 | 0 | 0 | 0 | 0 | 111.3 | L373 D377 V378 I379 | L373-T375 PolarHBondContact O-N 2.94Å; T375-D377 PolarHBondContact O-N 3Å; T375-D377 VanDerWaalsContact O-N 3.11Å; T375-V378 WeakPolarHBondContact O-CA 3.31Å; T375-V378 WeakPolarHBondContact O-CB 3.35Å; T375-V378 PolarHBondContact O-N 3.17Å; T375-V378 WeakPolarHBondContact OG1-CG2 3.33Å; T375-V378 PolarHBondContact OG1-N 2.9Å; T375-I379 WeakPolarHBondContact O-CG1 3.24Å; T375-I379 PolarHBondContact O-N 3.15Å | ||
| 376 | N | 98.4 | Very high | 96.3 | Very high | 83 Ų | 83 | 45 Ų | 45 | 44% | 0.444 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -53 | -37 | 176.7 | -69.1 | -2.3 | 0 | 0 | 0 | 112.3 | I379 K380 I411 | N376-I379 PolarHBondContact O-N 3.29Å; N376-K380 WeakPolarHBondContact O-CB 3.17Å; N376-K380 WeakPolarHBondContact O-CG 3.21Å; N376-K380 PolarHBondContact O-N 2.79Å; N376-I411 HydrophobicContact CB-CD1 3.9Å; N376-I411 VanDerWaalsContact OD1-CD1 3.32Å; N376-I411 WeakPolarHBondContact OD1-CD1 3.46Å |
| 377 | D | 98.6 | Very high | 96.3 | Very high | 88 Ų | 88 | 52.8 Ų | 52.8 | 47% | 0.471 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -73.1 | -33.8 | 179.8 | -62 | -28.2 | 0 | 0 | 0 | 112.3 | L353 T375 K380 A381 | L353-D377 HydrophobicContact CD1-CB 4.49Å; L353-D377 HydrophobicContact CD2-CB 3.87Å; T375-D377 PolarHBondContact O-N 3Å; T375-D377 VanDerWaalsContact O-N 3.11Å; D377-K380 IonicContact OD1-NZ 3.74Å; D377-A381 VanDerWaalsContact O-CB 3.27Å; D377-A381 WeakPolarHBondContact O-CB 3.44Å; D377-A381 PolarHBondContact O-N 3.04Å |
| 378 | V | 98.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.4 | -47 | 170.6 | 168.3 | 0 | 0 | 0 | 0 | 110.7 | F352 L353 V356 I364 F374 T375 A381 M382 | F352-V378 HydrophobicContact CD1-CG1 4.09Å; F352-V378 HydrophobicContact CD1-CG2 4.07Å; F352-V378 HydrophobicContact CE1-CG1 3.96Å; L353-V378 HydrophobicContact CB-CG2 4.03Å; L353-V378 HydrophobicContact CD1-CG2 4.14Å; V356-V378 HydrophobicContact CG2-CG1 4.29Å; I364-V378 HydrophobicContact CD1-CG1 3.91Å; F374-V378 HydrophobicContact CB-CG1 4.41Å; F374-V378 HydrophobicContact CD1-CG1 4.28Å; T375-V378 WeakPolarHBondContact O-CA 3.31Å; T375-V378 WeakPolarHBondContact O-CB 3.35Å; T375-V378 PolarHBondContact O-N 3.17Å; T375-V378 WeakPolarHBondContact OG1-CG2 3.33Å; T375-V378 PolarHBondContact OG1-N 2.9Å; V378-A381 PolarHBondContact O-N 3.28Å; V378-M382 WeakPolarHBondContact O-CG 3.43Å; V378-M382 PolarHBondContact O-N 3.23Å |
| 379 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | -179.9 | -60.3 | 169.4 | 0 | 0 | 0 | 110.7 | F374 T375 N376 A381 M382 G383 I391 C403 E407 I411 T412 | F374-I379 HydrophobicContact CB-CG1 4.35Å; F374-I379 WeakPolarHBondContact O-CD1 3.39Å; T375-I379 WeakPolarHBondContact O-CG1 3.24Å; T375-I379 PolarHBondContact O-N 3.15Å; N376-I379 PolarHBondContact O-N 3.29Å; I379-A381 PolarHBondContact O-N 3Å; I379-M382 PolarHBondContact O-N 3.26Å; I379-G383 PolarHBondContact O-N 2.88Å; I379-I391 HydrophobicContact CG2-CD1 3.99Å; I379-C403 HydrophobicContact CD1-CB 3.82Å; I379-E407 HydrophobicContact CD1-CB 4.24Å; I379-I411 HydrophobicContact CB-CB 4.44Å; I379-I411 HydrophobicContact CB-CD1 4.35Å; I379-I411 HydrophobicContact CB-CG2 4.01Å; I379-I411 HydrophobicContact CD1-CD1 4.15Å; I379-I411 HydrophobicContact CG2-CB 3.74Å; I379-I411 HydrophobicContact CG2-CD1 4.38Å; I379-I411 HydrophobicContact CG2-CG2 3.62Å; I379-T412 HydrophobicContact CG2-CG2 3.65Å |
| 380 | K | 98.8 | Very high | 97.1 | Very high | 105 Ų | 105 | 51.3 Ų | 51.3 | 46% | 0.457 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 173.7 | -75 | 171.8 | -168.7 | 167.5 | 0 | 112 | N376 D377 G383 S384 I411 | N376-K380 WeakPolarHBondContact O-CB 3.17Å; N376-K380 WeakPolarHBondContact O-CG 3.21Å; N376-K380 PolarHBondContact O-N 2.79Å; D377-K380 IonicContact OD1-NZ 3.74Å; K380-G383 PolarHBondContact O-N 2.86Å; K380-S384 WeakPolarHBondContact O-CB 3.37Å; K380-S384 PolarHBondContact O-N 3.07Å; K380-S384 PolarHBondContact O-OG 3.26Å; K380-I411 HydrophobicContact CB-CG2 4.27Å; K380-I411 HydrophobicContact CG-CG2 3.4Å; K380-I411 VanDerWaalsContact CG-CG2 3.4Å |
| 381 | A | 98.8 | Very high | 97.5 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L353 V356 D377 V378 I379 G383 S384 L385 | L353-A381 HydrophobicContact CD1-CB 3.86Å; V356-A381 HydrophobicContact CG1-CB 3.9Å; D377-A381 VanDerWaalsContact O-CB 3.27Å; D377-A381 WeakPolarHBondContact O-CB 3.44Å; D377-A381 PolarHBondContact O-N 3.04Å; V378-A381 PolarHBondContact O-N 3.28Å; I379-A381 PolarHBondContact O-N 3Å; A381-G383 VanDerWaalsContact C-N 3.35Å; A381-G383 PolarHBondContact O-N 3.24Å; A381-S384 PolarHBondContact O-N 2.9Å; A381-S384 VanDerWaalsContact O-N 3.16Å; A381-L385 WeakPolarHBondContact O-CB 3.13Å; A381-L385 WeakPolarHBondContact O-CD1 3.14Å; A381-L385 WeakPolarHBondContact O-CG 3.35Å; A381-L385 PolarHBondContact O-N 2.91Å |
| 382 | M | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.3 | -46.6 | 174.3 | -76.6 | -57.8 | -66.3 | 0 | 0 | 112.7 | V356 P361 I364 V378 I379 S384 L385 N386 P389 | V356-M382 HydrophobicContact CG1-CG 4.25Å; V356-M382 HydrophobicContact CG1-SD 3.93Å; P361-M382 HydrophobicContact CG-SD 3.85Å; P361-M382 WeakPolarHBondContact O-CE 3.34Å; I364-M382 HydrophobicContact CD1-CG 3.72Å; I364-M382 HydrophobicContact CG1-CE 4.26Å; I364-M382 HydrophobicContact CG1-CG 4.11Å; I364-M382 HydrophobicContact CG1-SD 4.41Å; I364-M382 HydrophobicContact CG2-CE 4.06Å; I364-M382 HydrophobicContact CG2-CG 4.19Å; I364-M382 HydrophobicContact CG2-SD 3.63Å; V378-M382 WeakPolarHBondContact O-CG 3.43Å; V378-M382 PolarHBondContact O-N 3.23Å; I379-M382 PolarHBondContact O-N 3.26Å; M382-S384 VanDerWaalsContact C-N 3.28Å; M382-S384 PolarHBondContact O-N 2.65Å; M382-L385 PolarHBondContact O-N 3.03Å; M382-N386 WeakPolarHBondContact O-CB 3.49Å; M382-N386 PolarHBondContact O-N 2.85Å; M382-N386 PolarHBondContact O-ND2 2.92Å; M382-N386 VanDerWaalsContact O-ND2 3.14Å; M382-P389 HydrophobicContact CB-CB 3.91Å; M382-P389 HydrophobicContact CE-CB 4.03Å |
| 383 | G | 98.3 | Very high | 98.1 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.9 | -20.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I379 K380 A381 N386 R415 | I379-G383 PolarHBondContact O-N 2.88Å; K380-G383 PolarHBondContact O-N 2.86Å; A381-G383 VanDerWaalsContact C-N 3.35Å; A381-G383 PolarHBondContact O-N 3.24Å; G383-N386 VanDerWaalsContact O-O 3.13Å; G383-R415 PolarHBondContact O-NH1 3.33Å; G383-R415 PolarHBondContact O-NH2 3Å |
| 384 | S | 98.3 | Very high | 98 | Very high | 106 Ų | 106 | 38.6 Ų | 38.6 | 74% | 0.741 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -87.2 | -33.2 | 174.9 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | K380 A381 M382 | K380-S384 WeakPolarHBondContact O-CB 3.37Å; K380-S384 PolarHBondContact O-N 3.07Å; K380-S384 PolarHBondContact O-OG 3.26Å; A381-S384 PolarHBondContact O-N 2.9Å; A381-S384 VanDerWaalsContact O-N 3.16Å; M382-S384 VanDerWaalsContact C-N 3.28Å; M382-S384 PolarHBondContact O-N 2.65Å |
| 385 | L | 98.1 | Very high | 97.6 | Very high | 65 Ų | 65 | 38.7 Ų | 38.7 | 34% | 0.34 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -79.1 | -27.2 | 179.6 | -69 | 167.9 | 0 | 0 | 0 | 112.8 | V356 K360 A381 M382 | V356-L385 HydrophobicContact CG1-CD1 4.03Å; K360-L385 HydrophobicContact CB-CD1 4.44Å; K360-L385 HydrophobicContact CB-CD2 4.29Å; K360-L385 HydrophobicContact CD-CD2 4.14Å; K360-L385 HydrophobicContact CG-CD1 4.45Å; K360-L385 HydrophobicContact CG-CD2 3.92Å; A381-L385 WeakPolarHBondContact O-CB 3.13Å; A381-L385 WeakPolarHBondContact O-CD1 3.14Å; A381-L385 WeakPolarHBondContact O-CG 3.35Å; A381-L385 PolarHBondContact O-N 2.91Å; M382-L385 PolarHBondContact O-N 3.03Å |
| 386 | N | 97.9 | Very high | 97 | Very high | 26 Ų | 26 | 37.4 Ų | 37.4 | 14% | 0.139 | 20% | 0.196 | C | C | . | . | trans | -131.4 | 135.7 | -173.3 | -55.2 | -80.2 | 0 | 0 | 0 | 110.6 | P361 T362 M382 G383 R388 P389 R415 | P361-N386 PolarHBondContact O-ND2 3.07Å; T362-N386 WeakPolarHBondContact CA-OD1 3.17Å; M382-N386 WeakPolarHBondContact O-CB 3.49Å; M382-N386 PolarHBondContact O-N 2.85Å; M382-N386 PolarHBondContact O-ND2 2.92Å; M382-N386 VanDerWaalsContact O-ND2 3.14Å; G383-N386 VanDerWaalsContact O-O 3.13Å; N386-R388 VanDerWaalsContact C-N 3.29Å; N386-R388 PolarHBondContact O-N 2.91Å; N386-P389 HydrophobicContact CB-CB 4.06Å; N386-R415 PolarHBondContact O-NH1 2.89Å; N386-R415 VanDerWaalsContact O-NH1 3.1Å | ||
| 387 | E | 96.3 | Very high | 96.2 | Very high | 164 Ų | 164 | 35.1 Ų | 35.1 | 77% | 0.766 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -61.1 | -41.4 | 172.2 | -175.4 | 179.1 | 179.9 | 0 | 0 | 111.2 | R415 | E387-R415 WeakPolarHBondContact O-CB 3.17Å; E387-R415 WeakPolarHBondContact O-CD 3.44Å; E387-R415 PolarHBondContact O-NH1 3Å |
| 388 | R | 96.2 | Very high | 95.5 | Very high | 72 Ų | 72 | 33.7 Ų | 33.7 | 27% | 0.272 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -129.4 | 84.3 | 175.1 | -63.1 | -162.8 | 68.1 | -160.9 | 6.4 | 110.3 | A273 I274 N386 | A273-R388 VanDerWaalsContact C-NH1 3.34Å; A273-R388 PolarHBondContact O-NH1 3.41Å; I274-R388 HydrophobicContact CG1-CB 4.16Å; N386-R388 VanDerWaalsContact C-N 3.29Å; N386-R388 PolarHBondContact O-N 2.91Å |
| 389 | P | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -69.2 | 139.2 | -178.7 | 28.7 | -34.8 | 0 | 0 | 0 | 111.2 | M382 N386 I391 T412 C416 L417 | M382-P389 HydrophobicContact CB-CB 3.91Å; M382-P389 HydrophobicContact CE-CB 4.03Å; N386-P389 HydrophobicContact CB-CB 4.06Å; P389-I391 HydrophobicContact CB-CG1 4.39Å; P389-I391 HydrophobicContact CG-CD1 4.49Å; P389-T412 HydrophobicContact CG-CG2 4.06Å; P389-C416 HydrophobicContact CG-CB 3.81Å; P389-C416 CarbonylContact O-C 3.4Å; P389-C416 VanDerWaalsContact O-CA 3.22Å; P389-C416 WeakPolarHBondContact O-CA 3.33Å; P389-C416 WeakPolarHBondContact O-CB 3.38Å; P389-L417 PolarHBondContact O-N 2.72Å | ||
| 390 | I | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124.2 | 172 | -56.2 | 168.3 | 0 | 0 | 0 | 108.4 | L267 A270 I274 T362 A363 I364 F392 L417 | L267-I390 HydrophobicContact CD2-CD1 4.27Å; L267-I390 HydrophobicContact CD2-CG2 3.99Å; A270-I390 HydrophobicContact CB-CD1 3.7Å; A270-I390 HydrophobicContact CB-CG1 3.98Å; A270-I390 HydrophobicContact CB-CG2 4.5Å; I274-I390 HydrophobicContact CD1-CD1 3.86Å; I274-I390 HydrophobicContact CD1-CG1 3.93Å; T362-I390 PolarHBondContact O-N 2.89Å; T362-I390 VanDerWaalsContact O-N 3.11Å; A363-I390 WeakPolarHBondContact CA-O 3.4Å; A363-I390 HydrophobicContact CB-CB 3.72Å; A363-I390 HydrophobicContact CB-CD1 4.16Å; A363-I390 HydrophobicContact CB-CG1 4.48Å; A363-I390 HydrophobicContact CB-CG2 4.03Å; I364-I390 PolarHBondContact N-O 3.1Å; I390-F392 HydrophobicContact CG2-CD1 3.76Å; I390-F392 HydrophobicContact CG2-CE1 3.36Å; I390-F392 HydrophobicContact CG2-CE2 4.49Å; I390-F392 HydrophobicContact CG2-CG 4.46Å; I390-F392 HydrophobicContact CG2-CZ 3.78Å; I390-L417 HydrophobicContact CG1-CB 4.3Å; I390-L417 HydrophobicContact CG1-CD1 4.38Å |
| 391 | I | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 104 | -176 | -57.1 | 179.2 | 0 | 0 | 0 | 109.2 | I364 F374 I379 P389 T412 C416 L417 F418 A419 | I364-I391 HydrophobicContact CD1-CG1 4.29Å; I364-I391 HydrophobicContact CD1-CG2 4.17Å; I364-I391 HydrophobicContact CG1-CB 4.37Å; I364-I391 HydrophobicContact CG1-CG1 4.13Å; I364-I391 HydrophobicContact CG1-CG2 4.24Å; F374-I391 HydrophobicContact CD2-CG2 3.88Å; F374-I391 HydrophobicContact CE2-CG2 4.12Å; I379-I391 HydrophobicContact CG2-CD1 3.99Å; P389-I391 HydrophobicContact CB-CG1 4.39Å; P389-I391 HydrophobicContact CG-CD1 4.49Å; I391-T412 HydrophobicContact CD1-CG2 4.3Å; I391-C416 HydrophobicContact CD1-CB 4.01Å; I391-C416 HydrophobicContact CG1-CB 4.41Å; I391-L417 PolarHBondContact N-O 3.23Å; I391-F418 HydrophobicContact CB-CD2 4.31Å; I391-F418 HydrophobicContact CG2-CD2 4.12Å; I391-F418 HydrophobicContact CG2-CE2 4.41Å; I391-F418 WeakPolarHBondContact O-CA 3.41Å; I391-F418 WeakPolarHBondContact O-CD2 3.45Å; I391-A419 PolarHBondContact O-N 3.04Å |
| 392 | F | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 115.2 | 179.4 | -70.4 | 3.3 | 0 | 0 | 0 | 110.7 | L267 I364 I365 G366 F374 I390 L394 A419 L487 | L267-F392 HydrophobicContact CD2-CE2 3.88Å; L267-F392 HydrophobicContact CD2-CZ 4.11Å; L267-F392 HydrophobicContact CG-CE2 3.85Å; L267-F392 HydrophobicContact CG-CZ 4.37Å; I364-F392 PolarHBondContact O-N 2.77Å; I365-F392 HydrophobicContact CB-CB 4.42Å; I365-F392 HydrophobicContact CD1-CD2 4.28Å; I365-F392 HydrophobicContact CG1-CB 4.19Å; I365-F392 HydrophobicContact CG1-CD2 4.21Å; I365-F392 HydrophobicContact CG1-CG 4.48Å; I365-F392 HydrophobicContact CG2-CB 4.19Å; G366-F392 PolarHBondContact N-O 2.81Å; F374-F392 WeakPolarHBondContact CE2-O 3.41Å; I390-F392 HydrophobicContact CG2-CD1 3.76Å; I390-F392 HydrophobicContact CG2-CE1 3.36Å; I390-F392 HydrophobicContact CG2-CE2 4.49Å; I390-F392 HydrophobicContact CG2-CG 4.46Å; I390-F392 HydrophobicContact CG2-CZ 3.78Å; F392-L394 HydrophobicContact CB-CD1 4.34Å; F392-L394 HydrophobicContact CB-CD2 4Å; F392-L394 HydrophobicContact CB-CG 3.96Å; F392-A419 CarbonylContact C-O 3.58Å; F392-A419 VanDerWaalsContact CA-O 3.3Å; F392-A419 WeakPolarHBondContact CA-O 3.43Å; F392-A419 HydrophobicContact CD1-CB 3.69Å; F392-A419 HydrophobicContact CE1-CB 3.82Å; F392-A419 HydrophobicContact CG-CB 4.23Å; F392-A419 HydrophobicContact CZ-CB 4.42Å; F392-L487 HydrophobicContact CD1-CD1 4.47Å; F392-L487 HydrophobicContact CE1-CD1 3.4Å; F392-L487 HydrophobicContact CZ-CD1 3.85Å |
| 393 | A | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 77.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | A401 E402 F418 A419 S420 G421 | A393-A401 HydrophobicContact CB-CB 4.48Å; A393-E402 VanDerWaalsContact C-OE2 3.25Å; A393-E402 WeakPolarHBondContact CA-OE2 3.36Å; A393-E402 HydrophobicContact CB-CB 4.19Å; A393-F418 HydrophobicContact CB-CE2 4.04Å; A393-F418 HydrophobicContact CB-CZ 4.1Å; A393-A419 PolarHBondContact N-O 3.3Å; A393-S420 CarbonylContact O-C 3.57Å; A393-S420 WeakPolarHBondContact O-CA 3.21Å; A393-S420 WeakPolarHBondContact O-CB 3.49Å; A393-G421 PolarHBondContact O-N 2.89Å |
| 394 | L | 95.1 | Very high | 94 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | trans | -89.4 | -5.3 | -165.3 | -52.8 | -177 | 0 | 0 | 0 | 114.1 | A263 I295 I365 G366 V367 F392 N396 E402 | A263-L394 HydrophobicContact CB-CD1 4.01Å; I295-L394 HydrophobicContact CD1-CD1 4.2Å; I365-L394 HydrophobicContact CG2-CD1 3.78Å; I365-L394 HydrophobicContact CG2-CG 4.36Å; G366-L394 WeakPolarHBondContact O-CA 3.36Å; G366-L394 VanDerWaalsContact O-CB 3.31Å; G366-L394 WeakPolarHBondContact O-CB 3.3Å; G366-L394 PolarHBondContact O-N 3.44Å; V367-L394 HydrophobicContact CG1-CB 3.89Å; V367-L394 HydrophobicContact CG1-CD1 4.21Å; F392-L394 HydrophobicContact CB-CD1 4.34Å; F392-L394 HydrophobicContact CB-CD2 4Å; F392-L394 HydrophobicContact CB-CG 3.96Å; L394-N396 PolarHBondContact O-ND2 2.92Å; L394-E402 PolarHBondContact N-OE2 2.85Å | ||
| 395 | S | 89.7 | Confident | 93.9 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | trans | -66.4 | 140.3 | 177.2 | -72.8 | 0 | 0 | 0 | 0 | 112.7 | G366 A368 G369 K400 E402 | G366-S395 PolarHBondContact O-N 2.72Å; A368-S395 PolarHBondContact N-OG 2.75Å; G369-S395 WeakPolarHBondContact CA-OG 3.14Å; G369-S395 PolarHBondContact N-OG 3.38Å; S395-K400 WeakPolarHBondContact CB-O 3.47Å; S395-E402 VanDerWaalsContact CB-OE1 3.26Å; S395-E402 WeakPolarHBondContact CB-OE1 3.46Å; S395-E402 PolarHBondContact N-OE2 2.92Å; S395-E402 PolarHBondContact OG-OE1 3.14Å | ||
| 396 | N | 84.5 | Confident | 93.9 | Very high | 36 Ų | 36 | 36.3 Ų | 36.3 | 19% | 0.193 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -121.4 | 152.3 | -177.3 | -69.4 | -61.5 | 0 | 0 | 0 | 111.6 | L143 L394 G421 S422 | L143-N396 HydrophobicContact CD1-CB 4.38Å; L143-N396 HydrophobicContact CD2-CB 3.59Å; L143-N396 HydrophobicContact CG-CB 3.82Å; L394-N396 PolarHBondContact O-ND2 2.92Å; N396-G421 PolarHBondContact OD1-O 3.18Å; N396-S422 WeakPolarHBondContact OD1-CA 3.45Å; N396-S422 PolarHBondContact OD1-N 2.93Å; N396-S422 PolarHBondContact OD1-OG 2.77Å |
| 397 | P | 82.1 | Confident | 93.8 | Very high | 36 Ų | 36 | 37.6 Ų | 37.6 | 23% | 0.234 | 19% | 0.187 | C | C | . | . | S | Bend | cis | -75.1 | -169.7 | -10 | 29 | -30.4 | 0 | 0 | 0 | 112.2 | N399 K400 S422 | P397-N399 WeakPolarHBondContact CG-OD1 3.32Å; P397-N399 PolarHBondContact O-N 3.47Å; P397-K400 WeakPolarHBondContact O-CA 3.38Å; P397-K400 WeakPolarHBondContact O-CB 3.31Å; P397-K400 PolarHBondContact O-N 3.22Å; P397-S422 VanDerWaalsContact C-OG 3.23Å; P397-S422 WeakPolarHBondContact CA-OG 3.35Å |
| 398 | T | 83.9 | Confident | 93.9 | Very high | 58 Ų | 58 | 29.8 Ų | 29.8 | 36% | 0.356 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -51.3 | -35 | -172.1 | -46.8 | 0 | 0 | 0 | 0 | 114.6 | K400 A401 S422 F424 | T398-K400 PolarHBondContact O-N 2.94Å; T398-A401 VanDerWaalsContact O-CB 3.31Å; T398-A401 WeakPolarHBondContact O-CB 3.44Å; T398-A401 PolarHBondContact O-N 2.75Å; T398-S422 PolarHBondContact N-OG 3.04Å; T398-S422 VanDerWaalsContact N-OG 3.1Å; T398-S422 WeakPolarHBondContact OG1-CB 3.25Å; T398-F424 HydrophobicContact CG2-CD1 4.15Å; T398-F424 HydrophobicContact CG2-CE1 3.46Å; T398-F424 VanDerWaalsContact CG2-CE1 3.46Å; T398-F424 HydrophobicContact CG2-CZ 3.76Å |
| 399 | N | 83.4 | Confident | 94 | Very high | 118 Ų | 118 | 26.4 Ų | 26.4 | 63% | 0.631 | 14% | 0.138 | S | C | * | . | G | 310 helix | trans | -71.9 | -11 | 177.6 | 68.6 | -20.2 | 0 | 0 | 0 | 113.8 | P397 | P397-N399 WeakPolarHBondContact CG-OD1 3.32Å; P397-N399 PolarHBondContact O-N 3.47Å |
| 400 | K | 90.4 | Very high | 94 | Very high | 73 Ų | 73 | 30 Ų | 30 | 32% | 0.317 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -100.4 | -2.3 | 173.3 | -59.9 | -54.5 | -164.3 | 163.1 | 0 | 113.2 | G369 G371 S395 P397 T398 | G369-K400 WeakPolarHBondContact O-CD 3.35Å; G371-K400 WeakPolarHBondContact CA-O 3.35Å; G371-K400 PolarHBondContact N-O 2.93Å; G371-K400 VanDerWaalsContact N-O 3.15Å; S395-K400 WeakPolarHBondContact CB-O 3.47Å; P397-K400 WeakPolarHBondContact O-CA 3.38Å; P397-K400 WeakPolarHBondContact O-CB 3.31Å; P397-K400 PolarHBondContact O-N 3.22Å; T398-K400 PolarHBondContact O-N 2.94Å |
| 401 | A | 93.8 | Very high | 94 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -60.7 | 140.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G371 R372 A393 T398 C403 F424 | G371-A401 WeakPolarHBondContact CA-O 3.44Å; R372-A401 PolarHBondContact N-O 2.81Å; A393-A401 HydrophobicContact CB-CB 4.48Å; T398-A401 VanDerWaalsContact O-CB 3.31Å; T398-A401 WeakPolarHBondContact O-CB 3.44Å; T398-A401 PolarHBondContact O-N 2.75Å; A401-C403 VanDerWaalsContact C-N 3.28Å; A401-C403 PolarHBondContact O-N 2.79Å; A401-F424 HydrophobicContact CB-CE2 4.24Å; A401-F424 HydrophobicContact CB-CZ 3.87Å |
| 402 | E | 97.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -64.3 | -32.5 | -176.7 | -72.8 | 74.6 | -168.6 | 0 | 0 | 113.1 | L286 G366 V367 A368 R372 L373 F374 A393 L394 S395 | L286-E402 HydrophobicContact CD2-CG 3.99Å; G366-E402 VanDerWaalsContact C-CD 3.4Å; G366-E402 VanDerWaalsContact CA-OE1 3.3Å; G366-E402 WeakPolarHBondContact CA-OE1 3.36Å; V367-E402 PolarHBondContact N-OE1 2.92Å; A368-E402 PolarHBondContact N-OE1 3.13Å; R372-E402 CarbonylContact C-O 3.54Å; R372-E402 VanDerWaalsContact C-O 3.29Å; R372-E402 WeakPolarHBondContact CA-O 3.33Å; R372-E402 PolarHBondContact N-O 3.37Å; L373-E402 PolarHBondContact N-O 3.42Å; L373-E402 VanDerWaalsContact N-O 3.12Å; F374-E402 HydrophobicContact CB-CB 4Å; F374-E402 HydrophobicContact CD1-CB 3.94Å; F374-E402 HydrophobicContact CD1-CG 4.28Å; F374-E402 HydrophobicContact CD2-CB 3.5Å; F374-E402 VanDerWaalsContact CD2-CB 3.5Å; F374-E402 HydrophobicContact CD2-CG 4.34Å; F374-E402 HydrophobicContact CE1-CB 4.27Å; F374-E402 HydrophobicContact CE1-CG 4.21Å; F374-E402 HydrophobicContact CE2-CB 3.88Å; F374-E402 HydrophobicContact CE2-CG 4.28Å; F374-E402 HydrophobicContact CG-CB 3.54Å; F374-E402 HydrophobicContact CG-CG 4.35Å; F374-E402 HydrophobicContact CZ-CB 4.25Å; F374-E402 HydrophobicContact CZ-CG 4.23Å; F374-E402 PolarHBondContact N-O 3.04Å; A393-E402 VanDerWaalsContact C-OE2 3.25Å; A393-E402 WeakPolarHBondContact CA-OE2 3.36Å; A393-E402 HydrophobicContact CB-CB 4.19Å; L394-E402 PolarHBondContact N-OE2 2.85Å; S395-E402 VanDerWaalsContact CB-OE1 3.26Å; S395-E402 WeakPolarHBondContact CB-OE1 3.46Å; S395-E402 PolarHBondContact N-OE2 2.92Å; S395-E402 PolarHBondContact OG-OE1 3.14Å |
| 403 | C | 97.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -154 | 170 | 167.8 | 60.4 | 0 | 0 | 0 | 0 | 109.6 | F374 I379 A401 | F374-C403 HydrophobicContact CB-CB 3.93Å; I379-C403 HydrophobicContact CD1-CB 3.82Å; A401-C403 VanDerWaalsContact C-N 3.28Å; A401-C403 PolarHBondContact O-N 2.79Å |
| 404 | T | 97.4 | Very high | 93.7 | Very high | 25 Ų | 25 | 37 Ų | 37 | 15% | 0.153 | 20% | 0.198 | C | C | . | . | trans | -86.1 | 158.7 | 170.6 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | E406 E407 A408 F424 | T404-E406 PolarHBondContact O-N 2.89Å; T404-E407 PolarHBondContact N-OE2 3.21Å; T404-E407 PolarHBondContact O-N 3.09Å; T404-E407 WeakPolarHBondContact OG1-CB 3.39Å; T404-E407 VanDerWaalsContact OG1-CG 3.28Å; T404-E407 WeakPolarHBondContact OG1-CG 3.49Å; T404-E407 PolarHBondContact OG1-N 2.61Å; T404-E407 PolarHBondContact OG1-OE2 3.25Å; T404-A408 PolarHBondContact O-N 3.29Å; T404-F424 HydrophobicContact CG2-CE1 3.97Å; T404-F424 HydrophobicContact CG2-CZ 4.4Å | ||
| 405 | A | 96.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.5 | -39.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A408 Y409 F418 F424 V427 P437 | A405-A408 PolarHBondContact O-N 2.6Å; A405-Y409 HydrophobicContact CB-CD2 4.27Å; A405-Y409 HydrophobicContact CB-CE2 4.17Å; A405-Y409 WeakPolarHBondContact O-CB 3.48Å; A405-Y409 WeakPolarHBondContact O-CD2 3.4Å; A405-Y409 PolarHBondContact O-N 2.88Å; A405-F418 HydrophobicContact CB-CD1 3.86Å; A405-F418 HydrophobicContact CB-CE1 3.53Å; A405-F418 HydrophobicContact CB-CZ 4.11Å; A405-F424 HydrophobicContact CB-CB 3.92Å; A405-F424 HydrophobicContact CB-CD2 4.21Å; A405-F424 HydrophobicContact CB-CG 4.06Å; A405-V427 HydrophobicContact CB-CG2 3.98Å; A405-P437 HydrophobicContact CB-CB 3.84Å; A405-P437 HydrophobicContact CB-CG 3.75Å |
| 406 | E | 97.1 | Very high | 94.1 | Very high | 131 Ų | 131 | 40 Ų | 40 | 61% | 0.612 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -62.2 | -44.8 | 178.9 | -175.7 | 174.3 | -151.3 | 0 | 0 | 111.9 | T404 T410 V427 | T404-E406 PolarHBondContact O-N 2.89Å; E406-T410 WeakPolarHBondContact O-CB 3.46Å; E406-T410 PolarHBondContact O-N 2.7Å; E406-T410 PolarHBondContact O-OG1 2.76Å; E406-V427 HydrophobicContact CB-CG1 4.45Å; E406-V427 HydrophobicContact CB-CG2 4.25Å; E406-V427 HydrophobicContact CG-CG1 4.47Å |
| 407 | E | 97.5 | Very high | 94.7 | Very high | 53 Ų | 53 | 38.4 Ų | 38.4 | 25% | 0.248 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.3 | -49.4 | 174.9 | -73.8 | 162.3 | 175.2 | 0 | 0 | 110.9 | R372 I379 T404 I411 | R372-E407 IonicContact CZ-OE1 3.62Å; R372-E407 IonicContact NH1-OE1 2.6Å; R372-E407 PolarHBondContact NH1-OE1 3.17Å; R372-E407 IonicContact NH1-OE2 3.04Å; R372-E407 PolarHBondContact NH1-OE2 3.2Å; I379-E407 HydrophobicContact CD1-CB 4.24Å; T404-E407 PolarHBondContact N-OE2 3.21Å; T404-E407 PolarHBondContact O-N 3.09Å; T404-E407 WeakPolarHBondContact OG1-CB 3.39Å; T404-E407 VanDerWaalsContact OG1-CG 3.28Å; T404-E407 WeakPolarHBondContact OG1-CG 3.49Å; T404-E407 PolarHBondContact OG1-N 2.61Å; T404-E407 PolarHBondContact OG1-OE2 3.25Å; E407-I411 HydrophobicContact CB-CD1 4.42Å; E407-I411 VanDerWaalsContact O-CB 3.28Å; E407-I411 WeakPolarHBondContact O-CB 3.48Å; E407-I411 WeakPolarHBondContact O-CD1 3.26Å; E407-I411 WeakPolarHBondContact O-CG1 3.33Å; E407-I411 PolarHBondContact O-N 3.46Å |
| 408 | A | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T404 A405 T412 C416 F418 | T404-A408 PolarHBondContact O-N 3.29Å; A405-A408 PolarHBondContact O-N 2.6Å; A408-T412 WeakPolarHBondContact O-CB 3.36Å; A408-T412 WeakPolarHBondContact O-CG2 3.48Å; A408-T412 PolarHBondContact O-N 2.87Å; A408-T412 PolarHBondContact O-OG1 3.05Å; A408-C416 PolarHBondContact O-SG 3.06Å; A408-C416 VanDerWaalsContact O-SG 3.41Å; A408-F418 HydrophobicContact CB-CD2 3.41Å; A408-F418 VanDerWaalsContact CB-CD2 3.41Å; A408-F418 HydrophobicContact CB-CE2 3.81Å; A408-F418 HydrophobicContact CB-CG 4.16Å |
| 409 | Y | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.9 | -45 | 179.9 | -70.7 | -54.8 | 0 | 0 | 0 | 112.1 | A405 I411 T412 D413 G414 C416 F418 V427 F435 P437 | A405-Y409 HydrophobicContact CB-CD2 4.27Å; A405-Y409 HydrophobicContact CB-CE2 4.17Å; A405-Y409 WeakPolarHBondContact O-CB 3.48Å; A405-Y409 WeakPolarHBondContact O-CD2 3.4Å; A405-Y409 PolarHBondContact O-N 2.88Å; Y409-I411 PolarHBondContact O-N 3.06Å; Y409-T412 PolarHBondContact O-N 3.35Å; Y409-D413 PolarHBondContact O-N 2.94Å; Y409-D413 VanDerWaalsContact O-N 3.1Å; Y409-G414 PolarHBondContact O-N 3.14Å; Y409-C416 WeakPolarHBondContact CD1-SG 3.39Å; Y409-F418 HydrophobicContact CE1-CB 4.03Å; Y409-F418 HydrophobicContact CE2-CB 4.36Å; Y409-V427 HydrophobicContact CD2-CB 3.99Å; Y409-V427 HydrophobicContact CD2-CG1 4.19Å; Y409-V427 HydrophobicContact CD2-CG2 4.07Å; Y409-F435 HydrophobicContact CD1-CD1 4.33Å; Y409-F435 HydrophobicContact CD1-CD2 4.47Å; Y409-F435 HydrophobicContact CD1-CG 4.2Å; Y409-F435 HydrophobicContact CD2-CB 4.04Å; Y409-F435 HydrophobicContact CD2-CG 4.44Å; Y409-F435 HydrophobicContact CE1-CB 4.23Å; Y409-F435 AromaticContact CE1-CD1 3.95Å; Y409-F435 HydrophobicContact CE1-CD1 3.95Å; Y409-F435 HydrophobicContact CE1-CG 4.07Å; Y409-F435 HydrophobicContact CE2-CB 3.66Å; Y409-F435 HydrophobicContact CE2-CG 4.3Å; Y409-F435 HydrophobicContact CG-CB 4.48Å; Y409-F435 HydrophobicContact CG-CD2 4.47Å; Y409-F435 HydrophobicContact CG-CG 4.39Å; Y409-P437 HydrophobicContact CE2-CB 4.2Å |
| 410 | T | 97.6 | Very high | 96.6 | Very high | 76 Ų | 76 | 28.3 Ų | 28.3 | 47% | 0.466 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.5 | -45.1 | -176.6 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | E406 T412 D413 | E406-T410 WeakPolarHBondContact O-CB 3.46Å; E406-T410 PolarHBondContact O-N 2.7Å; E406-T410 PolarHBondContact O-OG1 2.76Å; T410-T412 VanDerWaalsContact C-N 3.28Å; T410-T412 PolarHBondContact O-N 3.18Å; T410-D413 PolarHBondContact O-N 3.31Å |
| 411 | I | 98.2 | Very high | 96.5 | Very high | 39 Ų | 39 | 25 Ų | 25 | 20% | 0.2 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -72.6 | -24.5 | -176 | -64.9 | 170 | 0 | 0 | 0 | 112.2 | N376 I379 K380 E407 Y409 | N376-I411 HydrophobicContact CB-CD1 3.9Å; N376-I411 VanDerWaalsContact OD1-CD1 3.32Å; N376-I411 WeakPolarHBondContact OD1-CD1 3.46Å; I379-I411 HydrophobicContact CB-CB 4.44Å; I379-I411 HydrophobicContact CB-CD1 4.35Å; I379-I411 HydrophobicContact CB-CG2 4.01Å; I379-I411 HydrophobicContact CD1-CD1 4.15Å; I379-I411 HydrophobicContact CG2-CB 3.74Å; I379-I411 HydrophobicContact CG2-CD1 4.38Å; I379-I411 HydrophobicContact CG2-CG2 3.62Å; K380-I411 HydrophobicContact CB-CG2 4.27Å; K380-I411 HydrophobicContact CG-CG2 3.4Å; K380-I411 VanDerWaalsContact CG-CG2 3.4Å; E407-I411 HydrophobicContact CB-CD1 4.42Å; E407-I411 VanDerWaalsContact O-CB 3.28Å; E407-I411 WeakPolarHBondContact O-CB 3.48Å; E407-I411 WeakPolarHBondContact O-CD1 3.26Å; E407-I411 WeakPolarHBondContact O-CG1 3.33Å; E407-I411 PolarHBondContact O-N 3.46Å; Y409-I411 PolarHBondContact O-N 3.06Å |
| 412 | T | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 12.4 | 179.4 | 65.6 | 0 | 0 | 0 | 0 | 113.3 | I379 P389 I391 A408 Y409 T410 G414 R415 C416 | I379-T412 HydrophobicContact CG2-CG2 3.65Å; P389-T412 HydrophobicContact CG-CG2 4.06Å; I391-T412 HydrophobicContact CD1-CG2 4.3Å; A408-T412 WeakPolarHBondContact O-CB 3.36Å; A408-T412 WeakPolarHBondContact O-CG2 3.48Å; A408-T412 PolarHBondContact O-N 2.87Å; A408-T412 PolarHBondContact O-OG1 3.05Å; Y409-T412 PolarHBondContact O-N 3.35Å; T410-T412 VanDerWaalsContact C-N 3.28Å; T410-T412 PolarHBondContact O-N 3.18Å; T412-G414 PolarHBondContact O-N 3.14Å; T412-R415 VanDerWaalsContact O-CB 3.27Å; T412-R415 WeakPolarHBondContact O-CB 3.43Å; T412-R415 WeakPolarHBondContact O-CG 3.28Å; T412-R415 PolarHBondContact O-N 3.2Å; T412-R415 PolarHBondContact O-NE 2.89Å; T412-R415 VanDerWaalsContact O-NE 3.11Å; T412-C416 HydrophobicContact CG2-CB 4.04Å; T412-C416 VanDerWaalsContact OG1-CB 3.25Å; T412-C416 WeakPolarHBondContact OG1-CB 3.43Å; T412-C416 PolarHBondContact OG1-N 3.3Å; T412-C416 PolarHBondContact OG1-SG 3.21Å |
| 413 | D | 96.4 | Very high | 95.5 | Very high | 100 Ų | 100 | 27.8 Ų | 27.8 | 54% | 0.535 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 36.3 | -178.2 | -49.6 | -58.6 | 0 | 0 | 0 | 113.2 | Y409 T410 R415 R433 | Y409-D413 PolarHBondContact O-N 2.94Å; Y409-D413 VanDerWaalsContact O-N 3.1Å; T410-D413 PolarHBondContact O-N 3.31Å; D413-R415 PolarHBondContact O-N 2.98Å; D413-R433 PolarHBondContact O-NH1 3.19Å; D413-R433 PolarHBondContact O-NH2 3.16Å |
| 414 | G | 95.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 30 Ų | 30 | 7% | 0.072 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 9.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y409 T412 | Y409-G414 PolarHBondContact O-N 3.14Å; T412-G414 PolarHBondContact O-N 3.14Å |
| 415 | R | 95.6 | Very high | 94.8 | Very high | 79 Ų | 79 | 31 Ų | 31 | 30% | 0.298 | 17% | 0.172 | S | C | . | . | trans | -82.1 | -24.4 | -177.6 | -63.7 | 179.2 | -68.9 | 113.3 | -7.9 | 113.6 | G383 N386 E387 T412 D413 | G383-R415 PolarHBondContact O-NH1 3.33Å; G383-R415 PolarHBondContact O-NH2 3Å; N386-R415 PolarHBondContact O-NH1 2.89Å; N386-R415 VanDerWaalsContact O-NH1 3.1Å; E387-R415 WeakPolarHBondContact O-CB 3.17Å; E387-R415 WeakPolarHBondContact O-CD 3.44Å; E387-R415 PolarHBondContact O-NH1 3Å; T412-R415 VanDerWaalsContact O-CB 3.27Å; T412-R415 WeakPolarHBondContact O-CB 3.43Å; T412-R415 WeakPolarHBondContact O-CG 3.28Å; T412-R415 PolarHBondContact O-N 3.2Å; T412-R415 PolarHBondContact O-NE 2.89Å; T412-R415 VanDerWaalsContact O-NE 3.11Å; D413-R415 PolarHBondContact O-N 2.98Å | ||
| 416 | C | 97.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.02 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -64.4 | 152.2 | -177.7 | 72.6 | 0 | 0 | 0 | 0 | 112.4 | P389 I391 A408 Y409 T412 | P389-C416 HydrophobicContact CG-CB 3.81Å; P389-C416 CarbonylContact O-C 3.4Å; P389-C416 VanDerWaalsContact O-CA 3.22Å; P389-C416 WeakPolarHBondContact O-CA 3.33Å; P389-C416 WeakPolarHBondContact O-CB 3.38Å; I391-C416 HydrophobicContact CD1-CB 4.01Å; I391-C416 HydrophobicContact CG1-CB 4.41Å; A408-C416 PolarHBondContact O-SG 3.06Å; A408-C416 VanDerWaalsContact O-SG 3.41Å; Y409-C416 WeakPolarHBondContact CD1-SG 3.39Å; T412-C416 HydrophobicContact CG2-CB 4.04Å; T412-C416 VanDerWaalsContact OG1-CB 3.25Å; T412-C416 WeakPolarHBondContact OG1-CB 3.43Å; T412-C416 PolarHBondContact OG1-N 3.3Å; T412-C416 PolarHBondContact OG1-SG 3.21Å |
| 417 | L | 97.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 99 | 168.3 | -75.9 | 172.4 | 0 | 0 | 0 | 107.1 | A270 A273 I274 P389 I390 I391 L487 | A270-L417 HydrophobicContact CB-CB 4.46Å; A270-L417 HydrophobicContact CB-CD1 3.77Å; A273-L417 HydrophobicContact CB-CD1 4.14Å; A273-L417 HydrophobicContact CB-CD2 4.34Å; I274-L417 HydrophobicContact CD1-CD1 3.83Å; I274-L417 HydrophobicContact CG1-CD1 3.7Å; P389-L417 PolarHBondContact O-N 2.72Å; I390-L417 HydrophobicContact CG1-CB 4.3Å; I390-L417 HydrophobicContact CG1-CD1 4.38Å; I391-L417 PolarHBondContact N-O 3.23Å; L417-L487 HydrophobicContact CB-CD1 4.21Å; L417-L487 HydrophobicContact CD2-CD2 4Å |
| 418 | F | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.7 | -171.5 | -177.9 | -92.1 | 0 | 0 | 0 | 112.1 | I391 A393 A405 A408 Y409 F424 P437 | I391-F418 HydrophobicContact CB-CD2 4.31Å; I391-F418 HydrophobicContact CG2-CD2 4.12Å; I391-F418 HydrophobicContact CG2-CE2 4.41Å; I391-F418 WeakPolarHBondContact O-CA 3.41Å; I391-F418 WeakPolarHBondContact O-CD2 3.45Å; A393-F418 HydrophobicContact CB-CE2 4.04Å; A393-F418 HydrophobicContact CB-CZ 4.1Å; A405-F418 HydrophobicContact CB-CD1 3.86Å; A405-F418 HydrophobicContact CB-CE1 3.53Å; A405-F418 HydrophobicContact CB-CZ 4.11Å; A408-F418 HydrophobicContact CB-CD2 3.41Å; A408-F418 VanDerWaalsContact CB-CD2 3.41Å; A408-F418 HydrophobicContact CB-CE2 3.81Å; A408-F418 HydrophobicContact CB-CG 4.16Å; Y409-F418 HydrophobicContact CE1-CB 4.03Å; Y409-F418 HydrophobicContact CE2-CB 4.36Å; F418-F424 HydrophobicContact CE1-CD2 4.08Å; F418-F424 HydrophobicContact CE1-CE2 4.41Å; F418-F424 HydrophobicContact CZ-CD2 4.28Å; F418-F424 HydrophobicContact CZ-CE2 4.17Å; F418-P437 HydrophobicContact CD1-CB 3.71Å; F418-P437 HydrophobicContact CE1-CB 4.03Å |
| 419 | A | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 153.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | I391 F392 A393 G438 L487 Y488 | I391-A419 PolarHBondContact O-N 3.04Å; F392-A419 CarbonylContact C-O 3.58Å; F392-A419 VanDerWaalsContact CA-O 3.3Å; F392-A419 WeakPolarHBondContact CA-O 3.43Å; F392-A419 HydrophobicContact CD1-CB 3.69Å; F392-A419 HydrophobicContact CE1-CB 3.82Å; F392-A419 HydrophobicContact CG-CB 4.23Å; F392-A419 HydrophobicContact CZ-CB 4.42Å; A393-A419 PolarHBondContact N-O 3.3Å; A419-G438 WeakPolarHBondContact CA-O 3.42Å; A419-L487 HydrophobicContact CB-CD1 4.14Å; A419-Y488 HydrophobicContact CB-CE2 3.78Å |
| 420 | S | 94.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 159.1 | 177.2 | 56.6 | 0 | 0 | 0 | 0 | 113 | A393 S422 F424 G438 Q439 G440 | A393-S420 CarbonylContact O-C 3.57Å; A393-S420 WeakPolarHBondContact O-CA 3.21Å; A393-S420 WeakPolarHBondContact O-CB 3.49Å; S420-S422 WeakPolarHBondContact CB-O 3.37Å; S420-S422 PolarHBondContact OG-O 3.26Å; S420-F424 VanDerWaalsContact OG-CD2 3.3Å; S420-F424 WeakPolarHBondContact OG-CD2 3.44Å; S420-G438 PolarHBondContact N-O 3.01Å; S420-G438 VanDerWaalsContact N-O 3.11Å; S420-Q439 CarbonylContact O-C 3.54Å; S420-Q439 VanDerWaalsContact O-CA 3.25Å; S420-Q439 WeakPolarHBondContact O-CA 3.23Å; S420-Q439 WeakPolarHBondContact O-CG 3.17Å; S420-G440 PolarHBondContact O-N 2.64Å |
| 421 | G | 88.9 | Confident | 93.9 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -75.1 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A393 N396 Q439 | A393-G421 PolarHBondContact O-N 2.89Å; N396-G421 PolarHBondContact OD1-O 3.18Å; G421-Q439 VanDerWaalsContact O-CG 3.23Å; G421-Q439 WeakPolarHBondContact O-CG 3.31Å; G421-Q439 PolarHBondContact O-NE2 3.04Å |
| 422 | S | 84.8 | Confident | 93.6 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 4% | 0.035 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -96.7 | 153.4 | 176.5 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | N396 P397 T398 S420 | N396-S422 WeakPolarHBondContact OD1-CA 3.45Å; N396-S422 PolarHBondContact OD1-N 2.93Å; N396-S422 PolarHBondContact OD1-OG 2.77Å; P397-S422 VanDerWaalsContact C-OG 3.23Å; P397-S422 WeakPolarHBondContact CA-OG 3.35Å; T398-S422 PolarHBondContact N-OG 3.04Å; T398-S422 VanDerWaalsContact N-OG 3.1Å; T398-S422 WeakPolarHBondContact OG1-CB 3.25Å; S420-S422 WeakPolarHBondContact CB-O 3.37Å; S420-S422 PolarHBondContact OG-O 3.26Å |
| 423 | P | 85.6 | Confident | 93.4 | Very high | 58 Ų | 58 | 46.2 Ų | 46.2 | 38% | 0.377 | 28% | 0.283 | S | S | . | . | trans | -69.7 | 141.7 | -179 | 29 | -34.7 | 0 | 0 | 0 | 111.9 | ||||
| 424 | F | 90.1 | Very high | 93.2 | Very high | 46 Ų | 46 | 44.7 Ų | 44.7 | 20% | 0.202 | 28% | 0.284 | C | S | . | . | trans | -122 | 149.6 | 167 | -74.4 | -73.6 | 0 | 0 | 0 | 109.7 | T398 A401 T404 A405 F418 S420 P437 | T398-F424 HydrophobicContact CG2-CD1 4.15Å; T398-F424 HydrophobicContact CG2-CE1 3.46Å; T398-F424 VanDerWaalsContact CG2-CE1 3.46Å; T398-F424 HydrophobicContact CG2-CZ 3.76Å; A401-F424 HydrophobicContact CB-CE2 4.24Å; A401-F424 HydrophobicContact CB-CZ 3.87Å; T404-F424 HydrophobicContact CG2-CE1 3.97Å; T404-F424 HydrophobicContact CG2-CZ 4.4Å; A405-F424 HydrophobicContact CB-CB 3.92Å; A405-F424 HydrophobicContact CB-CD2 4.21Å; A405-F424 HydrophobicContact CB-CG 4.06Å; F418-F424 HydrophobicContact CE1-CD2 4.08Å; F418-F424 HydrophobicContact CE1-CE2 4.41Å; F418-F424 HydrophobicContact CZ-CD2 4.28Å; F418-F424 HydrophobicContact CZ-CE2 4.17Å; S420-F424 VanDerWaalsContact OG-CD2 3.3Å; S420-F424 WeakPolarHBondContact OG-CD2 3.44Å; F424-P437 HydrophobicContact CB-CG 3.78Å | ||
| 425 | G | 89.6 | Confident | 93.1 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 50% | 0.495 | 29% | 0.285 | S | S | . | . | trans | -68.2 | 168.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 426 | P | 92.9 | Very high | 92.9 | Very high | 97 Ų | 97 | 45.3 Ų | 45.3 | 63% | 0.63 | 29% | 0.29 | S | S | * | . | trans | -57.8 | 145.9 | 171.7 | -21 | 32.5 | 0 | 0 | 0 | 111.8 | F435 I436 | P426-F435 CarbonylContact C-O 3.49Å; P426-F435 VanDerWaalsContact CA-O 3.32Å; P426-F435 WeakPolarHBondContact CA-O 3.21Å; P426-I436 HydrophobicContact CB-CG1 4.26Å; P426-I436 HydrophobicContact CG-CG1 4.37Å | ||
| 427 | V | 95.4 | Very high | 92.6 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.7 | 178.5 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | A405 E406 Y409 L429 A434 F435 | A405-V427 HydrophobicContact CB-CG2 3.98Å; E406-V427 HydrophobicContact CB-CG1 4.45Å; E406-V427 HydrophobicContact CB-CG2 4.25Å; E406-V427 HydrophobicContact CG-CG1 4.47Å; Y409-V427 HydrophobicContact CD2-CB 3.99Å; Y409-V427 HydrophobicContact CD2-CG1 4.19Å; Y409-V427 HydrophobicContact CD2-CG2 4.07Å; V427-L429 HydrophobicContact CG1-CD2 4.36Å; V427-A434 CarbonylContact O-C 3.57Å; V427-A434 WeakPolarHBondContact O-CA 3.48Å; V427-F435 PolarHBondContact N-O 3.3Å; V427-F435 PolarHBondContact O-N 3.15Å |
| 428 | T | 95.8 | Very high | 92.2 | Very high | 100 Ų | 100 | 46.2 Ų | 46.2 | 61% | 0.613 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.7 | 173.9 | -56 | 0 | 0 | 0 | 0 | 109.1 | R433 | T428-R433 CarbonylContact C-O 3.05Å; T428-R433 WeakPolarHBondContact CA-O 3.33Å |
| 429 | L | 95.2 | Very high | 91.9 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | trans | -76.4 | 163.9 | 176.6 | -62.3 | -174.5 | 0 | 0 | 0 | 111.4 | V427 D431 G432 R433 F435 | V427-L429 HydrophobicContact CG1-CD2 4.36Å; L429-D431 WeakPolarHBondContact CB-OD1 3.4Å; L429-D431 PolarHBondContact O-N 3.14Å; L429-D431 VanDerWaalsContact O-N 3.17Å; L429-G432 PolarHBondContact O-N 2.85Å; L429-R433 PolarHBondContact N-O 3.04Å; L429-F435 HydrophobicContact CD1-CD2 4.39Å; L429-F435 HydrophobicContact CD1-CE2 3.62Å; L429-F435 HydrophobicContact CD1-CZ 4.44Å; L429-F435 HydrophobicContact CG-CD2 4.29Å; L429-F435 HydrophobicContact CG-CE2 3.94Å | ||
| 430 | S | 93.3 | Very high | 91.6 | Very high | 140 Ų | 140 | 47.4 Ų | 47.4 | 98% | 0.979 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -22.6 | 178.5 | 52.8 | 0 | 0 | 0 | 0 | 114 | G432 | S430-G432 VanDerWaalsContact C-N 3.31Š|
| 431 | D | 92.7 | Very high | 91.3 | Very high | 93 Ų | 93 | 48 Ų | 48 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0.1 | 175.6 | 67.7 | 9.4 | 0 | 0 | 0 | 114 | L429 R433 | L429-D431 WeakPolarHBondContact CB-OD1 3.4Å; L429-D431 PolarHBondContact O-N 3.14Å; L429-D431 VanDerWaalsContact O-N 3.17Å; D431-R433 WeakPolarHBondContact OD1-CB 3.32Å; D431-R433 PolarHBondContact OD1-N 3.24Å; D431-R433 IonicContact OD1-NE 3.58Å; D431-R433 PolarHBondContact OD1-NE 3.47Å; D431-R433 IonicContact OD2-CZ 3.64Å; D431-R433 IonicContact OD2-NE 3.33Å; D431-R433 PolarHBondContact OD2-NE 3.09Å; D431-R433 IonicContact OD2-NH2 2.81Å; D431-R433 PolarHBondContact OD2-NH2 3.25Å |
| 432 | G | 92.8 | Very high | 91.6 | Very high | 57 Ų | 57 | 48.8 Ų | 48.8 | 59% | 0.588 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 89 | -4.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L429 S430 | L429-G432 PolarHBondContact O-N 2.85Å; S430-G432 VanDerWaalsContact C-N 3.31Å |
| 433 | R | 93.2 | Very high | 92.1 | Very high | 104 Ų | 104 | 48.5 Ų | 48.5 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | trans | -65.8 | 136.2 | 171.5 | -70.4 | -177.1 | -71.1 | 155.3 | -0.2 | 110.2 | D413 T428 L429 D431 F435 | D413-R433 PolarHBondContact O-NH1 3.19Å; D413-R433 PolarHBondContact O-NH2 3.16Å; T428-R433 CarbonylContact C-O 3.05Å; T428-R433 WeakPolarHBondContact CA-O 3.33Å; L429-R433 PolarHBondContact N-O 3.04Å; D431-R433 WeakPolarHBondContact OD1-CB 3.32Å; D431-R433 PolarHBondContact OD1-N 3.24Å; D431-R433 IonicContact OD1-NE 3.58Å; D431-R433 PolarHBondContact OD1-NE 3.47Å; D431-R433 IonicContact OD2-CZ 3.64Å; D431-R433 IonicContact OD2-NE 3.33Å; D431-R433 PolarHBondContact OD2-NE 3.09Å; D431-R433 IonicContact OD2-NH2 2.81Å; D431-R433 PolarHBondContact OD2-NH2 3.25Å; R433-F435 HydrophobicContact CB-CE2 3.79Å; R433-F435 HydrophobicContact CB-CZ 4.24Å | ||
| 434 | A | 93.1 | Very high | 92.6 | Very high | 68 Ų | 68 | 46 Ų | 46 | 56% | 0.562 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V427 | V427-A434 CarbonylContact O-C 3.57Å; V427-A434 WeakPolarHBondContact O-CA 3.48Å |
| 435 | F | 93.3 | Very high | 93 | Very high | 21 Ų | 21 | 43.8 Ų | 43.8 | 9% | 0.092 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.2 | -178.3 | -62.8 | -89.2 | 0 | 0 | 0 | 110.2 | Y409 P426 V427 L429 R433 | Y409-F435 HydrophobicContact CD1-CD1 4.33Å; Y409-F435 HydrophobicContact CD1-CD2 4.47Å; Y409-F435 HydrophobicContact CD1-CG 4.2Å; Y409-F435 HydrophobicContact CD2-CB 4.04Å; Y409-F435 HydrophobicContact CD2-CG 4.44Å; Y409-F435 HydrophobicContact CE1-CB 4.23Å; Y409-F435 AromaticContact CE1-CD1 3.95Å; Y409-F435 HydrophobicContact CE1-CD1 3.95Å; Y409-F435 HydrophobicContact CE1-CG 4.07Å; Y409-F435 HydrophobicContact CE2-CB 3.66Å; Y409-F435 HydrophobicContact CE2-CG 4.3Å; Y409-F435 HydrophobicContact CG-CB 4.48Å; Y409-F435 HydrophobicContact CG-CD2 4.47Å; Y409-F435 HydrophobicContact CG-CG 4.39Å; P426-F435 CarbonylContact C-O 3.49Å; P426-F435 VanDerWaalsContact CA-O 3.32Å; P426-F435 WeakPolarHBondContact CA-O 3.21Å; V427-F435 PolarHBondContact N-O 3.3Å; V427-F435 PolarHBondContact O-N 3.15Å; L429-F435 HydrophobicContact CD1-CD2 4.39Å; L429-F435 HydrophobicContact CD1-CE2 3.62Å; L429-F435 HydrophobicContact CD1-CZ 4.44Å; L429-F435 HydrophobicContact CG-CD2 4.29Å; L429-F435 HydrophobicContact CG-CE2 3.94Å; R433-F435 HydrophobicContact CB-CE2 3.79Å; R433-F435 HydrophobicContact CB-CZ 4.24Å |
| 436 | I | 91.6 | Very high | 93.5 | Very high | 79 Ų | 79 | 41.5 Ų | 41.5 | 41% | 0.405 | 26% | 0.259 | S | S | . | . | trans | -112.9 | 100.3 | 172.5 | -65 | 166.6 | 0 | 0 | 0 | 106.4 | P426 G438 | P426-I436 HydrophobicContact CB-CG1 4.26Å; P426-I436 HydrophobicContact CG-CG1 4.37Å; I436-G438 PolarHBondContact O-N 3.15Å | ||
| 437 | P | 90.8 | Very high | 93.7 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | trans | -62.5 | 132.5 | -176.1 | 25.8 | -33.2 | 0 | 0 | 0 | 110.7 | A405 Y409 F418 F424 | A405-P437 HydrophobicContact CB-CB 3.84Å; A405-P437 HydrophobicContact CB-CG 3.75Å; Y409-P437 HydrophobicContact CE2-CB 4.2Å; F418-P437 HydrophobicContact CD1-CB 3.71Å; F418-P437 HydrophobicContact CE1-CB 4.03Å; F424-P437 HydrophobicContact CB-CG 3.78Å | ||
| 438 | G | 89 | Confident | 93.9 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 9% | 0.093 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 147.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A419 S420 I436 | A419-G438 WeakPolarHBondContact CA-O 3.42Å; S420-G438 PolarHBondContact N-O 3.01Å; S420-G438 VanDerWaalsContact N-O 3.11Å; I436-G438 PolarHBondContact O-N 3.15Å |
| 439 | Q | 90.1 | Very high | 94 | Very high | 19 Ų | 19 | 31.5 Ų | 31.5 | 9% | 0.089 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 115.4 | 174.7 | -163.9 | -175 | -12.1 | 0 | 0 | 109.9 | S420 G421 N441 Y444 | S420-Q439 CarbonylContact O-C 3.54Å; S420-Q439 VanDerWaalsContact O-CA 3.25Å; S420-Q439 WeakPolarHBondContact O-CA 3.23Å; S420-Q439 WeakPolarHBondContact O-CG 3.17Å; G421-Q439 VanDerWaalsContact O-CG 3.23Å; G421-Q439 WeakPolarHBondContact O-CG 3.31Å; G421-Q439 PolarHBondContact O-NE2 3.04Å; Q439-N441 HydrophobicContact CG-CB 3.97Å; Q439-N441 PolarHBondContact NE2-ND2 3.21Å; Q439-N441 PolarHBondContact O-N 3.14Å; Q439-Y444 WeakPolarHBondContact O-CE2 3.35Å |
| 440 | G | 90.9 | Very high | 94.2 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 7% | 0.072 | 19% | 0.192 | C | C | . | . | trans | -75.6 | 63.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S420 | S420-G440 PolarHBondContact O-N 2.64Š| ||
| 441 | N | 88.9 | Confident | 94.5 | Very high | 13 Ų | 13 | 24.3 Ų | 24.3 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | trans | -94.2 | 132.8 | -176.8 | -169 | -43.3 | 0 | 0 | 0 | 111.1 | Q439 V443 Y444 | Q439-N441 HydrophobicContact CG-CB 3.97Å; Q439-N441 PolarHBondContact NE2-ND2 3.21Å; Q439-N441 PolarHBondContact O-N 3.14Å; N441-V443 HydrophobicContact CB-CG1 3.92Å; N441-V443 PolarHBondContact O-N 3.39Å; N441-V443 WeakPolarHBondContact OD1-CB 3.01Å; N441-V443 WeakPolarHBondContact OD1-CG1 3.28Å; N441-V443 PolarHBondContact OD1-N 3.48Å; N441-Y444 WeakPolarHBondContact O-CD2 3.31Å; N441-Y444 PolarHBondContact O-N 2.87Å | ||
| 442 | N | 93.7 | Very high | 94.8 | Very high | 19 Ų | 19 | 19.9 Ų | 19.9 | 10% | 0.102 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -57.1 | -18.9 | 179.7 | -61.5 | 11.5 | 0 | 0 | 0 | 113.7 | D254 T259 Y444 I445 F446 | D254-N442 PolarHBondContact O-ND2 3.11Å; D254-N442 VanDerWaalsContact O-ND2 3.13Å; D254-N442 WeakPolarHBondContact OD2-CB 3.31Å; D254-N442 PolarHBondContact OD2-ND2 2.81Å; T259-N442 WeakPolarHBondContact CA-OD1 3.37Å; T259-N442 PolarHBondContact N-ND2 2.91Å; T259-N442 PolarHBondContact OG1-ND2 3.08Å; N442-Y444 PolarHBondContact O-N 3.04Å; N442-Y444 VanDerWaalsContact O-N 3.1Å; N442-I445 PolarHBondContact O-N 3.09Å; N442-F446 VanDerWaalsContact C-CD1 3.48Å; N442-F446 HydrophobicContact CB-CD1 4.05Å; N442-F446 HydrophobicContact CB-CE1 4.42Å; N442-F446 WeakPolarHBondContact O-CD1 3.4Å; N442-F446 PolarHBondContact O-N 3.33Å; N442-F446 VanDerWaalsContact O-N 3.11Å |
| 443 | V | 95.2 | Very high | 95 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -55.3 | -23.5 | 173.1 | 75.3 | 0 | 0 | 0 | 0 | 113.7 | M84 L162 C166 N441 I445 F446 P447 L491 I494 | M84-V443 HydrophobicContact CE-CG1 4.41Å; M84-V443 HydrophobicContact SD-CB 4.32Å; M84-V443 HydrophobicContact SD-CG1 3.92Å; M84-V443 HydrophobicContact SD-CG2 3.93Å; L162-V443 HydrophobicContact CB-CG2 4.3Å; L162-V443 HydrophobicContact CD1-CG2 3.94Å; C166-V443 VanDerWaalsContact SG-CG2 3.58Å; N441-V443 HydrophobicContact CB-CG1 3.92Å; N441-V443 PolarHBondContact O-N 3.39Å; N441-V443 WeakPolarHBondContact OD1-CB 3.01Å; N441-V443 WeakPolarHBondContact OD1-CG1 3.28Å; N441-V443 PolarHBondContact OD1-N 3.48Å; V443-I445 PolarHBondContact O-N 3.18Å; V443-F446 HydrophobicContact CB-CE1 4.04Å; V443-F446 HydrophobicContact CB-CZ 4.19Å; V443-F446 HydrophobicContact CG2-CE1 4.38Å; V443-F446 HydrophobicContact CG2-CZ 4.02Å; V443-P447 HydrophobicContact CG2-CG 4.3Å; V443-P447 WeakPolarHBondContact O-CD 3.18Å; V443-P447 WeakPolarHBondContact O-CG 3.47Å; V443-L491 HydrophobicContact CG1-CD2 4.21Å; V443-I494 HydrophobicContact CG1-CD1 4.12Å; V443-I494 HydrophobicContact CG1-CG1 4.48Å; V443-I494 HydrophobicContact CG2-CG1 4.27Å |
| 444 | Y | 97.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 13.3 Ų | 13.3 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -68.7 | -22.2 | 172.2 | -75.1 | -71.6 | 0 | 0 | 0 | 113.6 | V262 Q439 N441 N442 L473 Y488 P489 L491 I494 V497 I501 | V262-Y444 HydrophobicContact CG2-CD2 4.41Å; Q439-Y444 WeakPolarHBondContact O-CE2 3.35Å; N441-Y444 WeakPolarHBondContact O-CD2 3.31Å; N441-Y444 PolarHBondContact O-N 2.87Å; N442-Y444 PolarHBondContact O-N 3.04Å; N442-Y444 VanDerWaalsContact O-N 3.1Å; Y444-L473 VanDerWaalsContact CB-CD2 3.49Å; Y444-L473 HydrophobicContact CD1-CD1 3.75Å; Y444-L473 HydrophobicContact CG-CD1 4.09Å; Y444-L473 HydrophobicContact CG-CD2 4.07Å; Y444-Y488 HydrophobicContact CD2-CD1 4.4Å; Y444-Y488 HydrophobicContact CE2-CG 4.37Å; Y444-P489 PolarHBondContact OH-O 3.32Å; Y444-L491 HydrophobicContact CE1-CD2 4.4Å; Y444-L491 HydrophobicContact CE2-CD2 4Å; Y444-L491 VanDerWaalsContact OH-CD2 3.25Å; Y444-L491 WeakPolarHBondContact OH-CD2 3.24Å; Y444-L491 WeakPolarHBondContact OH-CG 3.3Å; Y444-I494 HydrophobicContact CD1-CD1 3.29Å; Y444-I494 HydrophobicContact CE1-CD1 3.51Å; Y444-I494 HydrophobicContact CG-CD1 3.91Å; Y444-V497 HydrophobicContact CD1-CG1 3.98Å; Y444-I501 WeakPolarHBondContact O-CD1 3.48Å |
| 445 | I | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -61 | -169.5 | -59.9 | -57.8 | 0 | 0 | 0 | 111.4 | S261 V262 N442 V443 P447 G448 V449 F466 A469 L473 | S261-I445 VanDerWaalsContact OG-CD1 3.23Å; S261-I445 WeakPolarHBondContact OG-CD1 3.45Å; S261-I445 WeakPolarHBondContact OG-CG2 3.34Å; V262-I445 HydrophobicContact CB-CG1 3.92Å; N442-I445 PolarHBondContact O-N 3.09Å; V443-I445 PolarHBondContact O-N 3.18Å; I445-P447 VanDerWaalsContact C-N 3.35Å; I445-G448 PolarHBondContact O-N 2.97Å; I445-V449 HydrophobicContact CG2-CG2 3.78Å; I445-V449 WeakPolarHBondContact O-CG2 3.37Å; I445-V449 PolarHBondContact O-N 2.66Å; I445-F466 HydrophobicContact CG2-CD1 3.96Å; I445-F466 HydrophobicContact CG2-CE1 4.16Å; I445-A469 HydrophobicContact CD1-CB 4.36Å; I445-A469 HydrophobicContact CG2-CB 4.43Å; I445-L473 HydrophobicContact CD1-CB 4.36Å; I445-L473 HydrophobicContact CD1-CD2 3.73Å |
| 446 | F | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.5 | -38.2 | -167.8 | 68.8 | -106.3 | 0 | 0 | 0 | 114.2 | K159 L162 Y163 F252 D254 N442 V443 A450 | K159-F446 HydrophobicContact CD-CD1 4.25Å; K159-F446 HydrophobicContact CD-CE1 3.73Å; K159-F446 HydrophobicContact CD-CE2 4.15Å; K159-F446 HydrophobicContact CD-CZ 3.69Å; L162-F446 HydrophobicContact CB-CE2 3.87Å; L162-F446 HydrophobicContact CB-CZ 3.72Å; L162-F446 HydrophobicContact CD1-CZ 3.95Å; L162-F446 HydrophobicContact CG-CZ 4.5Å; Y163-F446 AromaticContact CD2-CD2 3.4Å; Y163-F446 HydrophobicContact CD2-CD2 3.4Å; Y163-F446 AromaticContact CD2-CE2 3.5Å; Y163-F446 HydrophobicContact CD2-CE2 3.5Å; Y163-F446 VanDerWaalsContact CD2-CE2 3.5Å; Y163-F446 HydrophobicContact CE2-CB 4.39Å; Y163-F446 AromaticContact CE2-CD2 3.17Å; Y163-F446 HydrophobicContact CE2-CD2 3.17Å; Y163-F446 AromaticContact CE2-CE2 3.73Å; Y163-F446 HydrophobicContact CE2-CE2 3.73Å; Y163-F446 HydrophobicContact CE2-CG 4.08Å; F252-F446 HydrophobicContact CE2-CB 4.45Å; F252-F446 HydrophobicContact CZ-CB 4.16Å; D254-F446 WeakPolarHBondContact OD1-CB 3.34Å; N442-F446 VanDerWaalsContact C-CD1 3.48Å; N442-F446 HydrophobicContact CB-CD1 4.05Å; N442-F446 HydrophobicContact CB-CE1 4.42Å; N442-F446 WeakPolarHBondContact O-CD1 3.4Å; N442-F446 PolarHBondContact O-N 3.33Å; N442-F446 VanDerWaalsContact O-N 3.11Å; V443-F446 HydrophobicContact CB-CE1 4.04Å; V443-F446 HydrophobicContact CB-CZ 4.19Å; V443-F446 HydrophobicContact CG2-CE1 4.38Å; V443-F446 HydrophobicContact CG2-CZ 4.02Å; F446-A450 WeakPolarHBondContact O-CB 3.15Å; F446-A450 PolarHBondContact O-N 2.79Å |
| 447 | P | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -65.5 | -46.9 | -178.9 | -18.3 | 31.6 | 0 | 0 | 0 | 111.4 | C166 A167 V443 I445 M451 | C166-P447 HydrophobicContact CB-CB 3.76Å; C166-P447 HydrophobicContact CB-CG 3.67Å; A167-P447 VanDerWaalsContact CB-C 3.47Å; A167-P447 HydrophobicContact CB-CB 3.55Å; A167-P447 WeakPolarHBondContact CB-O 3.5Å; V443-P447 HydrophobicContact CG2-CG 4.3Å; V443-P447 WeakPolarHBondContact O-CD 3.18Å; V443-P447 WeakPolarHBondContact O-CG 3.47Å; I445-P447 VanDerWaalsContact C-N 3.35Å; P447-M451 WeakPolarHBondContact O-CB 3.27Å; P447-M451 PolarHBondContact O-N 2.74Å |
| 448 | G | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -67 | -44 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I445 M451 A452 S498 A502 | I445-G448 PolarHBondContact O-N 2.97Å; G448-M451 PolarHBondContact O-N 3.33Å; G448-A452 PolarHBondContact O-N 2.87Å; G448-S498 VanDerWaalsContact CA-O 3.23Å; G448-S498 WeakPolarHBondContact CA-O 2.99Å; G448-A502 WeakPolarHBondContact O-CA 3.43Å; G448-A502 WeakPolarHBondContact O-CB 3.38Å |
| 449 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 175.6 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | I445 M451 A452 V453 V465 F466 A469 I501 | I445-V449 HydrophobicContact CG2-CG2 3.78Å; I445-V449 WeakPolarHBondContact O-CG2 3.37Å; I445-V449 PolarHBondContact O-N 2.66Å; V449-M451 VanDerWaalsContact C-N 3.31Å; V449-M451 PolarHBondContact O-N 3.49Å; V449-A452 PolarHBondContact O-N 3.39Å; V449-V453 HydrophobicContact CG1-CG2 4.25Å; V449-V453 WeakPolarHBondContact O-CB 3.42Å; V449-V453 VanDerWaalsContact O-CG2 3.31Å; V449-V453 WeakPolarHBondContact O-CG2 2.99Å; V449-V453 PolarHBondContact O-N 3.39Å; V449-V465 HydrophobicContact CG1-CG1 4.08Å; V449-F466 HydrophobicContact CG1-CE1 4.19Å; V449-F466 HydrophobicContact CG1-CZ 4.27Å; V449-F466 HydrophobicContact CG2-CE1 4.42Å; V449-A469 HydrophobicContact CG2-CB 3.62Å; V449-I501 HydrophobicContact CG2-CG2 4.45Å |
| 450 | A | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59 | -43.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y163 I169 L227 F446 A452 V453 I454 | Y163-A450 HydrophobicContact CD1-CB 3.93Å; Y163-A450 HydrophobicContact CE1-CB 3.21Å; I169-A450 HydrophobicContact CD1-CB 3.61Å; L227-A450 HydrophobicContact CD2-CB 3.46Å; L227-A450 VanDerWaalsContact CD2-CB 3.46Å; F446-A450 WeakPolarHBondContact O-CB 3.15Å; F446-A450 PolarHBondContact O-N 2.79Å; A450-A452 PolarHBondContact O-N 2.86Å; A450-V453 PolarHBondContact O-N 3.4Å; A450-I454 WeakPolarHBondContact O-CB 3.02Å; A450-I454 WeakPolarHBondContact O-CD1 3.41Å; A450-I454 WeakPolarHBondContact O-CG1 3.28Å; A450-I454 PolarHBondContact O-N 3.45Å |
| 451 | M | 98.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 11.8 Ų | 11.8 | 3% | 0.025 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 177.6 | -178.7 | 62.1 | 108.3 | 0 | 0 | 111.5 | A167 G168 I169 P447 G448 V449 V453 L455 A502 V528 A532 | A167-M451 HydrophobicContact CB-CB 3.94Å; A167-M451 WeakPolarHBondContact O-CE 3.28Å; G168-M451 WeakPolarHBondContact O-CE 3.28Å; I169-M451 HydrophobicContact CD1-CB 4.35Å; I169-M451 HydrophobicContact CG1-CB 4.25Å; I169-M451 HydrophobicContact CG1-CE 4.28Å; I169-M451 HydrophobicContact CG1-SD 4.08Å; P447-M451 WeakPolarHBondContact O-CB 3.27Å; P447-M451 PolarHBondContact O-N 2.74Å; G448-M451 PolarHBondContact O-N 3.33Å; V449-M451 VanDerWaalsContact C-N 3.31Å; V449-M451 PolarHBondContact O-N 3.49Å; M451-V453 PolarHBondContact O-N 3.33Å; M451-L455 HydrophobicContact CG-CD1 3.93Å; M451-L455 HydrophobicContact CG-CG 4.36Å; M451-L455 VanDerWaalsContact O-CB 3.24Å; M451-L455 WeakPolarHBondContact O-CB 3.38Å; M451-L455 VanDerWaalsContact O-CG 3.23Å; M451-L455 WeakPolarHBondContact O-CG 3.36Å; M451-L455 PolarHBondContact O-N 3.42Å; M451-L455 HydrophobicContact SD-CD1 3.47Å; M451-L455 WeakPolarHBondContact SD-CD1 3.5Å; M451-L455 HydrophobicContact SD-CD2 4.27Å; M451-L455 HydrophobicContact SD-CG 3.67Å; M451-A502 HydrophobicContact CB-CB 3.9Å; M451-A502 HydrophobicContact CG-CB 3.82Å; M451-V528 HydrophobicContact CG-CG1 4.35Å; M451-A532 HydrophobicContact CE-CB 4.05Å |
| 452 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G448 V449 A450 S456 A502 V505 M506 | G448-A452 PolarHBondContact O-N 2.87Å; V449-A452 PolarHBondContact O-N 3.39Å; A450-A452 PolarHBondContact O-N 2.86Å; A452-S456 WeakPolarHBondContact O-CB 3.3Å; A452-S456 PolarHBondContact O-N 3.41Å; A452-S456 PolarHBondContact O-OG 2.92Å; A452-A502 HydrophobicContact CB-CB 4.49Å; A452-A502 WeakPolarHBondContact CB-O 3.31Å; A452-V505 HydrophobicContact CB-CB 3.65Å; A452-V505 HydrophobicContact CB-CG1 3.54Å; A452-M506 HydrophobicContact CB-CB 4.48Å |
| 453 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.7 | -51 | -178.3 | 162.4 | 0 | 0 | 0 | 0 | 110.9 | L227 C250 V449 A450 M451 S456 G457 V458 I461 | L227-V453 HydrophobicContact CD1-CG1 4.28Å; C250-V453 WeakPolarHBondContact SG-CG1 3.31Å; V449-V453 HydrophobicContact CG1-CG2 4.25Å; V449-V453 WeakPolarHBondContact O-CB 3.42Å; V449-V453 VanDerWaalsContact O-CG2 3.31Å; V449-V453 WeakPolarHBondContact O-CG2 2.99Å; V449-V453 PolarHBondContact O-N 3.39Å; A450-V453 PolarHBondContact O-N 3.4Å; M451-V453 PolarHBondContact O-N 3.33Å; V453-S456 PolarHBondContact O-N 3.44Å; V453-G457 PolarHBondContact O-N 3.16Å; V453-V458 HydrophobicContact CB-CB 4.39Å; V453-V458 HydrophobicContact CG1-CB 4.05Å; V453-V458 HydrophobicContact CG1-CG1 4.39Å; V453-V458 HydrophobicContact CG2-CB 4.37Å; V453-V458 HydrophobicContact CG2-CG1 4.43Å; V453-V458 PolarHBondContact O-N 2.96Å; V453-I461 HydrophobicContact CG1-CD1 4.07Å; V453-I461 HydrophobicContact CG1-CG1 4.4Å; V453-I461 HydrophobicContact CG2-CD1 4.07Å; V453-I461 HydrophobicContact CG2-CG1 4.18Å |
| 454 | I | 98.6 | Very high | 97.7 | Very high | 23 Ų | 23 | 16.5 Ų | 16.5 | 12% | 0.118 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.7 | -48.4 | 179.3 | -70.2 | 161.4 | 0 | 0 | 0 | 110.6 | A132 A133 I169 L227 A450 S456 G457 | A132-I454 HydrophobicContact CB-CD1 4.39Å; A132-I454 HydrophobicContact CB-CG1 4.33Å; A132-I454 HydrophobicContact CB-CG2 3.86Å; A133-I454 HydrophobicContact CB-CD1 4.09Å; I169-I454 HydrophobicContact CD1-CD1 3.96Å; I169-I454 HydrophobicContact CG1-CD1 4.41Å; I169-I454 HydrophobicContact CG2-CD1 4.25Å; L227-I454 HydrophobicContact CB-CG1 4.28Å; L227-I454 HydrophobicContact CD2-CD1 4.23Å; L227-I454 HydrophobicContact CD2-CG1 4.42Å; A450-I454 WeakPolarHBondContact O-CB 3.02Å; A450-I454 WeakPolarHBondContact O-CD1 3.41Å; A450-I454 WeakPolarHBondContact O-CG1 3.28Å; A450-I454 PolarHBondContact O-N 3.45Å; I454-S456 VanDerWaalsContact C-N 3.27Å; I454-S456 PolarHBondContact O-N 2.9Å; I454-G457 PolarHBondContact O-N 3.05Å |
| 455 | L | 98.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 16.3 Ų | 16.3 | 4% | 0.042 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71 | -23.7 | -176.4 | -68.8 | -171.3 | 0 | 0 | 0 | 113 | M451 M506 R517 F527 V528 T531 | M451-L455 HydrophobicContact CG-CD1 3.93Å; M451-L455 HydrophobicContact CG-CG 4.36Å; M451-L455 VanDerWaalsContact O-CB 3.24Å; M451-L455 WeakPolarHBondContact O-CB 3.38Å; M451-L455 VanDerWaalsContact O-CG 3.23Å; M451-L455 WeakPolarHBondContact O-CG 3.36Å; M451-L455 PolarHBondContact O-N 3.42Å; M451-L455 HydrophobicContact SD-CD1 3.47Å; M451-L455 WeakPolarHBondContact SD-CD1 3.5Å; M451-L455 HydrophobicContact SD-CD2 4.27Å; M451-L455 HydrophobicContact SD-CG 3.67Å; L455-M506 HydrophobicContact CB-CE 3.41Å; L455-M506 VanDerWaalsContact CB-CE 3.41Å; L455-M506 HydrophobicContact CD1-CE 4.11Å; L455-M506 HydrophobicContact CG-CE 4.43Å; L455-R517 WeakPolarHBondContact O-CD 3.4Å; L455-R517 PolarHBondContact O-NE 2.87Å; L455-F527 HydrophobicContact CB-CE1 3.93Å; L455-F527 HydrophobicContact CD1-CE1 4.26Å; L455-F527 HydrophobicContact CD2-CE1 4.5Å; L455-F527 HydrophobicContact CD2-CZ 4.36Å; L455-F527 HydrophobicContact CG-CE1 4.47Å; L455-V528 HydrophobicContact CD1-CB 4.32Å; L455-V528 HydrophobicContact CD1-CG2 3.94Å; L455-T531 HydrophobicContact CD2-CG2 3.55Å |
| 456 | S | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -95 | -4.9 | 178.4 | -49.7 | 0 | 0 | 0 | 0 | 113.3 | A452 V453 I454 V458 M506 F516 R517 | A452-S456 WeakPolarHBondContact O-CB 3.3Å; A452-S456 PolarHBondContact O-N 3.41Å; A452-S456 PolarHBondContact O-OG 2.92Å; V453-S456 PolarHBondContact O-N 3.44Å; I454-S456 VanDerWaalsContact C-N 3.27Å; I454-S456 PolarHBondContact O-N 2.9Å; S456-V458 VanDerWaalsContact C-N 3.27Å; S456-V458 PolarHBondContact O-N 3Å; S456-M506 WeakPolarHBondContact OG-CG 3.41Å; S456-F516 PolarHBondContact O-N 3.31Å; S456-R517 PolarHBondContact O-N 3.08Å |
| 457 | G | 97.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 4% | 0.041 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 32.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V453 I454 F516 | V453-G457 PolarHBondContact O-N 3.16Å; I454-G457 PolarHBondContact O-N 3.05Å; G457-F516 VanDerWaalsContact O-CB 3.3Å; G457-F516 WeakPolarHBondContact O-CB 3.45Å; G457-F516 WeakPolarHBondContact O-CD2 3.4Å |
| 458 | V | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -62.2 | 137.5 | 179.7 | 165.6 | 0 | 0 | 0 | 0 | 109.5 | C250 V453 S456 H460 I461 V509 | C250-V458 PolarHBondContact SG-O 3.47Å; V453-V458 HydrophobicContact CB-CB 4.39Å; V453-V458 HydrophobicContact CG1-CB 4.05Å; V453-V458 HydrophobicContact CG1-CG1 4.39Å; V453-V458 HydrophobicContact CG2-CB 4.37Å; V453-V458 HydrophobicContact CG2-CG1 4.43Å; V453-V458 PolarHBondContact O-N 2.96Å; S456-V458 VanDerWaalsContact C-N 3.27Å; S456-V458 PolarHBondContact O-N 3Å; V458-H460 WeakPolarHBondContact CG1-O 3.46Å; V458-I461 HydrophobicContact CG1-CG1 4.33Å; V458-V509 HydrophobicContact CG2-CB 3.94Å; V458-V509 HydrophobicContact CG2-CG1 4.03Å; V458-V509 HydrophobicContact CG2-CG2 3.95Å | ||
| 459 | R | 96.4 | Very high | 97.7 | Very high | 100 Ų | 100 | 18.5 Ų | 18.5 | 38% | 0.377 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -103.9 | -18.3 | -178 | -66 | -179.7 | -177 | -178.6 | 1.1 | 114.5 | Q224 Y249 C250 F516 | Q224-R459 HydrophobicContact CG-CB 4.41Å; Q224-R459 HydrophobicContact CG-CG 4.06Å; Y249-R459 CarbonylContact C-O 3.58Å; C250-R459 WeakPolarHBondContact CA-O 3.33Å; C250-R459 PolarHBondContact N-O 3Å; R459-F516 HydrophobicContact CB-CD2 4.24Å; R459-F516 HydrophobicContact CB-CE2 3.94Å; R459-F516 HydrophobicContact CG-CD2 3.69Å; R459-F516 HydrophobicContact CG-CE2 3.81Å; R459-F516 HydrophobicContact CG-CG 4.14Å; R459-F516 HydrophobicContact CG-CZ 4.34Å; R459-F516 VanDerWaalsContact CZ-CD1 3.48Å |
| 460 | H | 95.2 | Very high | 97.7 | Very high | 70 Ų | 70 | 18.5 Ų | 18.5 | 32% | 0.324 | 9% | 0.093 | S | C | . | . | trans | -144.2 | 135.6 | 179.3 | -54.4 | -61.6 | 0 | 0 | 0 | 109.5 | E247 K248 V458 | E247-H460 PolarHBondContact O-CE1 3.36Å; E247-H460 PolarHBondContact O-ND1 3.01Å; K248-H460 VanDerWaalsContact C-CE1 3.47Å; V458-H460 WeakPolarHBondContact CG1-O 3.46Å | ||
| 461 | I | 97.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | trans | -111.1 | 105.8 | -177.3 | -50.5 | 172.6 | 0 | 0 | 0 | 108.8 | L227 F252 V453 V458 V465 F466 | L227-I461 HydrophobicContact CD1-CD1 3.61Å; F252-I461 HydrophobicContact CB-CD1 4.26Å; F252-I461 HydrophobicContact CD1-CD1 3.76Å; F252-I461 HydrophobicContact CG-CD1 4.46Å; V453-I461 HydrophobicContact CG1-CD1 4.07Å; V453-I461 HydrophobicContact CG1-CG1 4.4Å; V453-I461 HydrophobicContact CG2-CD1 4.07Å; V453-I461 HydrophobicContact CG2-CG1 4.18Å; V458-I461 HydrophobicContact CG1-CG1 4.33Å; I461-V465 HydrophobicContact CG2-CB 4.07Å; I461-V465 HydrophobicContact CG2-CG1 4.13Å; I461-V465 HydrophobicContact CG2-CG2 4.26Å; I461-F466 HydrophobicContact CG2-CD2 4.34Å; I461-F466 HydrophobicContact CG2-CE2 3.58Å; I461-F466 HydrophobicContact CG2-CZ 4.19Å | ||
| 462 | C | 93.2 | Very high | 97.7 | Very high | 38 Ų | 38 | 20.7 Ų | 20.7 | 26% | 0.257 | 10% | 0.103 | S | C | . | . | trans | -91.3 | 162.9 | 175.8 | 62 | 0 | 0 | 0 | 0 | 111.8 | T464 V465 M514 | C462-T464 PolarHBondContact O-N 3.24Å; C462-T464 VanDerWaalsContact O-N 3.11Å; C462-T464 PolarHBondContact SG-OG1 3.39Å; C462-V465 WeakPolarHBondContact O-CB 3.44Å; C462-V465 PolarHBondContact O-N 3.33Å; C462-M514 WeakPolarHBondContact SG-CE 3.29Å | ||
| 463 | D | 95.1 | Very high | 97.7 | Very high | 43 Ų | 43 | 20.8 Ų | 20.8 | 23% | 0.23 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.1 | -20.6 | -174.8 | -63 | -29.3 | 0 | 0 | 0 | 113 | R246 Q257 L298 M301 V465 F466 L467 | R246-D463 IonicContact CZ-OD1 3.74Å; R246-D463 IonicContact CZ-OD2 3.3Å; R246-D463 IonicContact NH1-OD1 3.53Å; R246-D463 IonicContact NH1-OD2 3.62Å; R246-D463 PolarHBondContact NH1-OD2 2.75Å; R246-D463 IonicContact NH2-OD1 2.73Å; R246-D463 PolarHBondContact NH2-OD1 3.28Å; R246-D463 IonicContact NH2-OD2 2.88Å; R246-D463 PolarHBondContact NH2-OD2 3.17Å; R246-D463 VanDerWaalsContact NH2-OD2 3.1Å; Q257-D463 PolarHBondContact NE2-OD1 2.93Å; L298-D463 HydrophobicContact CD1-CB 4.45Å; L298-D463 WeakPolarHBondContact CD1-O 3.31Å; M301-D463 HydrophobicContact CE-CB 3.9Å; M301-D463 HydrophobicContact SD-CB 3.63Å; D463-V465 PolarHBondContact O-N 3.4Å; D463-F466 PolarHBondContact O-N 2.96Å; D463-L467 PolarHBondContact O-N 3.39Å |
| 464 | T | 97 | Very high | 97.6 | Very high | 51 Ų | 51 | 21 Ų | 21 | 31% | 0.313 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -67.4 | -23.8 | 174.8 | 57 | 0 | 0 | 0 | 0 | 112.8 | M301 C462 F466 L467 E468 F508 | M301-T464 HydrophobicContact CE-CG2 3.47Å; M301-T464 VanDerWaalsContact CE-CG2 3.47Å; C462-T464 PolarHBondContact O-N 3.24Å; C462-T464 VanDerWaalsContact O-N 3.11Å; C462-T464 PolarHBondContact SG-OG1 3.39Å; T464-F466 VanDerWaalsContact C-N 3.35Å; T464-L467 PolarHBondContact O-N 3.04Å; T464-E468 WeakPolarHBondContact O-CB 3.43Å; T464-E468 PolarHBondContact O-N 3.06Å; T464-F508 WeakPolarHBondContact OG1-CZ 3.27Å |
| 465 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 172.4 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | V449 I461 C462 D463 E468 A469 V505 F508 V509 M514 | V449-V465 HydrophobicContact CG1-CG1 4.08Å; I461-V465 HydrophobicContact CG2-CB 4.07Å; I461-V465 HydrophobicContact CG2-CG1 4.13Å; I461-V465 HydrophobicContact CG2-CG2 4.26Å; C462-V465 WeakPolarHBondContact O-CB 3.44Å; C462-V465 PolarHBondContact O-N 3.33Å; D463-V465 PolarHBondContact O-N 3.4Å; V465-E468 PolarHBondContact O-N 3.08Å; V465-A469 PolarHBondContact O-N 3.02Å; V465-V505 HydrophobicContact CG1-CG1 3.69Å; V465-F508 HydrophobicContact CG2-CE1 4.19Å; V465-V509 HydrophobicContact CG2-CG1 4.29Å; V465-M514 HydrophobicContact CG2-CE 3.8Å |
| 466 | F | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72 | -35.8 | 177.4 | -70.3 | -78.3 | 0 | 0 | 0 | 112.2 | F252 Q257 S261 L298 I445 V449 I461 D463 T464 E468 A469 S470 | F252-F466 HydrophobicContact CB-CE2 3.96Å; F252-F466 HydrophobicContact CB-CZ 3.7Å; F252-F466 HydrophobicContact CD1-CZ 4.35Å; F252-F466 HydrophobicContact CD2-CE1 4.05Å; F252-F466 HydrophobicContact CD2-CE2 4.47Å; F252-F466 AromaticContact CD2-CZ 3.47Å; F252-F466 HydrophobicContact CD2-CZ 3.47Å; F252-F466 VanDerWaalsContact CD2-CZ 3.47Å; F252-F466 HydrophobicContact CE2-CE1 4.28Å; F252-F466 HydrophobicContact CE2-CZ 4.09Å; F252-F466 HydrophobicContact CG-CE2 4.37Å; F252-F466 AromaticContact CG-CZ 3.61Å; F252-F466 HydrophobicContact CG-CZ 3.61Å; Q257-F466 HydrophobicContact CB-CD1 4.12Å; Q257-F466 HydrophobicContact CB-CD2 3.78Å; Q257-F466 HydrophobicContact CB-CE1 3.99Å; Q257-F466 HydrophobicContact CB-CE2 3.63Å; Q257-F466 HydrophobicContact CB-CG 4.03Å; Q257-F466 HydrophobicContact CB-CZ 3.76Å; Q257-F466 HydrophobicContact CG-CD2 4.34Å; Q257-F466 HydrophobicContact CG-CE2 4.19Å; S261-F466 PolarHBondContact OG-O 2.94Å; L298-F466 HydrophobicContact CD1-CB 4.44Å; L298-F466 HydrophobicContact CD2-CB 4.36Å; I445-F466 HydrophobicContact CG2-CD1 3.96Å; I445-F466 HydrophobicContact CG2-CE1 4.16Å; V449-F466 HydrophobicContact CG1-CE1 4.19Å; V449-F466 HydrophobicContact CG1-CZ 4.27Å; V449-F466 HydrophobicContact CG2-CE1 4.42Å; I461-F466 HydrophobicContact CG2-CD2 4.34Å; I461-F466 HydrophobicContact CG2-CE2 3.58Å; I461-F466 HydrophobicContact CG2-CZ 4.19Å; D463-F466 PolarHBondContact O-N 2.96Å; T464-F466 VanDerWaalsContact C-N 3.35Å; F466-E468 VanDerWaalsContact C-N 3.32Å; F466-E468 PolarHBondContact O-N 3.1Å; F466-A469 PolarHBondContact O-N 3.29Å; F466-S470 WeakPolarHBondContact O-CB 3.25Å; F466-S470 PolarHBondContact O-N 3.34Å; F466-S470 PolarHBondContact O-OG 3.45Å |
| 467 | L | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.1 | -45 | 171.5 | 178.5 | 55.7 | 0 | 0 | 0 | 111.2 | L264 L298 M301 A302 E305 D463 T464 S470 K471 | L264-L467 HydrophobicContact CD2-CD1 3.49Å; L264-L467 VanDerWaalsContact CD2-CD1 3.49Å; L298-L467 HydrophobicContact CD1-CB 3.92Å; M301-L467 HydrophobicContact CB-CD2 4.08Å; M301-L467 HydrophobicContact CE-CD2 4.36Å; A302-L467 HydrophobicContact CB-CD1 3.81Å; E305-L467 HydrophobicContact CG-CD2 4.32Å; D463-L467 PolarHBondContact O-N 3.39Å; T464-L467 PolarHBondContact O-N 3.04Å; L467-S470 WeakPolarHBondContact O-CB 3.41Å; L467-S470 PolarHBondContact O-N 2.86Å; L467-K471 WeakPolarHBondContact O-CG 3.47Å; L467-K471 PolarHBondContact O-N 3.08Å; L467-K471 VanDerWaalsContact O-N 3.12Å |
| 468 | E | 98.7 | Very high | 96.9 | Very high | 40 Ų | 40 | 31.5 Ų | 31.5 | 19% | 0.187 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 176.7 | -170.3 | 62.7 | -159.4 | 0 | 0 | 112.1 | T464 V465 F466 S470 K471 S472 F508 | T464-E468 WeakPolarHBondContact O-CB 3.43Å; T464-E468 PolarHBondContact O-N 3.06Å; V465-E468 PolarHBondContact O-N 3.08Å; F466-E468 VanDerWaalsContact C-N 3.32Å; F466-E468 PolarHBondContact O-N 3.1Å; E468-S470 VanDerWaalsContact C-N 3.26Å; E468-S470 PolarHBondContact O-N 3.27Å; E468-K471 PolarHBondContact O-N 3.4Å; E468-K471 IonicContact OE2-NZ 2.79Å; E468-S472 WeakPolarHBondContact O-CB 3.35Å; E468-S472 PolarHBondContact O-N 2.85Å; E468-F508 HydrophobicContact CB-CB 4.49Å; E468-F508 HydrophobicContact CB-CD1 4.43Å; E468-F508 HydrophobicContact CB-CD2 4.24Å; E468-F508 HydrophobicContact CB-CG 4.14Å; E468-F508 HydrophobicContact CG-CB 3.78Å; E468-F508 HydrophobicContact CG-CD2 4.05Å; E468-F508 HydrophobicContact CG-CG 3.9Å |
| 469 | A | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.5 | -37.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I445 V449 V465 F466 S472 L473 I501 V505 | I445-A469 HydrophobicContact CD1-CB 4.36Å; I445-A469 HydrophobicContact CG2-CB 4.43Å; V449-A469 HydrophobicContact CG2-CB 3.62Å; V465-A469 PolarHBondContact O-N 3.02Å; F466-A469 PolarHBondContact O-N 3.29Å; A469-S472 PolarHBondContact O-N 3.15Å; A469-L473 WeakPolarHBondContact O-CB 3.47Å; A469-L473 PolarHBondContact O-N 3.47Å; A469-I501 HydrophobicContact CB-CG2 4.02Å; A469-V505 HydrophobicContact CB-CG2 3.98Å |
| 470 | S | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 177.1 | -54 | 0 | 0 | 0 | 0 | 111.8 | S261 A265 F466 L467 E468 L473 A474 | S261-S470 WeakPolarHBondContact CA-OG 3.5Å; S261-S470 PolarHBondContact O-OG 3.35Å; S261-S470 PolarHBondContact OG-OG 3Å; S261-S470 VanDerWaalsContact OG-OG 3.04Å; A265-S470 VanDerWaalsContact CB-O 3.31Å; A265-S470 WeakPolarHBondContact CB-O 3.35Å; F466-S470 WeakPolarHBondContact O-CB 3.25Å; F466-S470 PolarHBondContact O-N 3.34Å; F466-S470 PolarHBondContact O-OG 3.45Å; L467-S470 WeakPolarHBondContact O-CB 3.41Å; L467-S470 PolarHBondContact O-N 2.86Å; E468-S470 VanDerWaalsContact C-N 3.26Å; E468-S470 PolarHBondContact O-N 3.27Å; S470-L473 PolarHBondContact O-N 2.77Å; S470-A474 WeakPolarHBondContact O-CB 3.4Å; S470-A474 PolarHBondContact O-N 3.29Å |
| 471 | K | 98.4 | Very high | 96.2 | Very high | 48 Ų | 48 | 37.7 Ų | 37.7 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.2 | -48.3 | 177.2 | -65.5 | 170.2 | -169.7 | 164.9 | 0 | 110.7 | L268 E305 L467 E468 L473 A474 E475 | L268-K471 HydrophobicContact CD1-CG 4.05Å; E305-K471 IonicContact OE1-NZ 2.62Å; E305-K471 PolarHBondContact OE1-NZ 3.34Å; E305-K471 WeakPolarHBondContact OE2-CE 3.27Å; E305-K471 IonicContact OE2-NZ 2.72Å; E305-K471 PolarHBondContact OE2-NZ 2.99Å; L467-K471 WeakPolarHBondContact O-CG 3.47Å; L467-K471 PolarHBondContact O-N 3.08Å; L467-K471 VanDerWaalsContact O-N 3.12Å; E468-K471 PolarHBondContact O-N 3.4Å; E468-K471 IonicContact OE2-NZ 2.79Å; K471-L473 VanDerWaalsContact C-N 3.28Å; K471-L473 PolarHBondContact O-N 2.91Å; K471-A474 PolarHBondContact O-N 2.94Å; K471-A474 VanDerWaalsContact O-N 3.09Å; K471-E475 WeakPolarHBondContact O-CG 3.3Å; K471-E475 PolarHBondContact O-N 3.08Å |
| 472 | S | 98.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.6 | -38.7 | 178.5 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | E468 A469 Q476 K504 | E468-S472 WeakPolarHBondContact O-CB 3.35Å; E468-S472 PolarHBondContact O-N 2.85Å; A469-S472 PolarHBondContact O-N 3.15Å; S472-Q476 VanDerWaalsContact O-CG 3.29Å; S472-Q476 WeakPolarHBondContact O-CG 3.41Å; S472-Q476 PolarHBondContact O-NE2 3.31Å; S472-K504 WeakPolarHBondContact OG-CG 3.43Å |
| 473 | L | 98.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.6 | -45.9 | 174 | 178.1 | 57.8 | 0 | 0 | 0 | 111.9 | V262 A265 Y444 I445 A469 S470 K471 E475 Q476 Y488 P489 V497 I501 | V262-L473 HydrophobicContact CG2-CD2 4.33Å; A265-L473 HydrophobicContact CB-CB 3.9Å; A265-L473 HydrophobicContact CB-CD2 3.57Å; A265-L473 HydrophobicContact CB-CG 3.85Å; Y444-L473 VanDerWaalsContact CB-CD2 3.49Å; Y444-L473 HydrophobicContact CD1-CD1 3.75Å; Y444-L473 HydrophobicContact CG-CD1 4.09Å; Y444-L473 HydrophobicContact CG-CD2 4.07Å; I445-L473 HydrophobicContact CD1-CB 4.36Å; I445-L473 HydrophobicContact CD1-CD2 3.73Å; A469-L473 WeakPolarHBondContact O-CB 3.47Å; A469-L473 PolarHBondContact O-N 3.47Å; S470-L473 PolarHBondContact O-N 2.77Å; K471-L473 VanDerWaalsContact C-N 3.28Å; K471-L473 PolarHBondContact O-N 2.91Å; L473-E475 VanDerWaalsContact C-N 3.27Å; L473-E475 PolarHBondContact O-N 3.36Å; L473-Q476 PolarHBondContact O-N 3.27Å; L473-Y488 HydrophobicContact CD2-CD1 4.15Å; L473-Y488 HydrophobicContact CD2-CE1 4.37Å; L473-P489 HydrophobicContact CD1-CG 4.09Å; L473-V497 HydrophobicContact CD1-CG1 3.59Å; L473-I501 HydrophobicContact CB-CD1 4.09Å; L473-I501 HydrophobicContact CD1-CD1 4.39Å |
| 474 | A | 97.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 5% | 0.05 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -29 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L268 R272 S470 K471 Q476 | L268-A474 HydrophobicContact CB-CB 3.65Å; L268-A474 HydrophobicContact CD1-CB 4.35Å; R272-A474 PolarHBondContact NH1-O 3.08Å; S470-A474 WeakPolarHBondContact O-CB 3.4Å; S470-A474 PolarHBondContact O-N 3.29Å; K471-A474 PolarHBondContact O-N 2.94Å; K471-A474 VanDerWaalsContact O-N 3.09Å; A474-Q476 VanDerWaalsContact C-N 3.31Å |
| 475 | E | 96.6 | Very high | 94.6 | Very high | 129 Ų | 129 | 40.2 Ų | 40.2 | 60% | 0.603 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -72.6 | -21.2 | 176.7 | -75.2 | 174.4 | -179.4 | 0 | 0 | 113.5 | K471 L473 L477 | K471-E475 WeakPolarHBondContact O-CG 3.3Å; K471-E475 PolarHBondContact O-N 3.08Å; L473-E475 VanDerWaalsContact C-N 3.27Å; L473-E475 PolarHBondContact O-N 3.36Å; E475-L477 VanDerWaalsContact C-N 3.29Å; E475-L477 PolarHBondContact O-N 3.19Å |
| 476 | Q | 96.4 | Very high | 94.3 | Very high | 50 Ų | 50 | 42.3 Ų | 42.3 | 23% | 0.234 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -4.7 | -176.3 | -71.4 | 178.4 | 69 | 0 | 0 | 114.3 | S472 L473 A474 P489 | S472-Q476 VanDerWaalsContact O-CG 3.29Å; S472-Q476 WeakPolarHBondContact O-CG 3.41Å; S472-Q476 PolarHBondContact O-NE2 3.31Å; L473-Q476 PolarHBondContact O-N 3.27Å; A474-Q476 VanDerWaalsContact C-N 3.31Å; Q476-P489 HydrophobicContact CB-CG 4.19Å |
| 477 | L | 93.5 | Very high | 94.2 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -77.1 | 127.6 | 169.9 | -81.6 | 161.7 | 0 | 0 | 0 | 111.4 | A269 R272 E475 E481 L482 R486 L487 Y488 P489 | A269-L477 HydrophobicContact CB-CD1 3.45Å; A269-L477 VanDerWaalsContact CB-CD1 3.45Å; R272-L477 PolarHBondContact NH1-O 3.5Å; R272-L477 PolarHBondContact NH2-O 2.86Å; E475-L477 VanDerWaalsContact C-N 3.29Å; E475-L477 PolarHBondContact O-N 3.19Å; L477-E481 HydrophobicContact CD2-CB 3.84Å; L477-L482 HydrophobicContact CB-CD2 4.33Å; L477-L482 HydrophobicContact CB-CG 4.14Å; L477-L482 HydrophobicContact CD1-CD2 3.93Å; L477-R486 HydrophobicContact CD2-CB 4.43Å; L477-L487 VanDerWaalsContact CD1-C 3.47Å; L477-L487 WeakPolarHBondContact CD1-O 3.36Å; L477-Y488 VanDerWaalsContact CD2-C 3.45Å; L477-Y488 WeakPolarHBondContact CD2-O 3.44Å; L477-P489 HydrophobicContact CG-CG 4.42Å |
| 478 | T | 92.1 | Very high | 94.1 | Very high | 71 Ų | 71 | 42.4 Ų | 42.4 | 44% | 0.436 | 22% | 0.221 | S | C | . | . | trans | -72.5 | 154.2 | 170.1 | 66.1 | 0 | 0 | 0 | 0 | 111.1 | K480 E481 L482 | T478-K480 PolarHBondContact O-N 3.07Å; T478-E481 WeakPolarHBondContact CB-OE2 3.27Å; T478-E481 WeakPolarHBondContact CG2-OE2 3.36Å; T478-E481 PolarHBondContact N-OE2 3.4Å; T478-E481 PolarHBondContact O-N 2.8Å; T478-E481 VanDerWaalsContact O-N 3.11Å; T478-E481 WeakPolarHBondContact OG1-CB 3.45Å; T478-E481 WeakPolarHBondContact OG1-CG 3.48Å; T478-E481 PolarHBondContact OG1-N 2.93Å; T478-E481 PolarHBondContact OG1-OE2 3.28Å; T478-L482 PolarHBondContact O-N 3.01Å | ||
| 479 | D | 91.5 | Very high | 93.9 | Very high | 124 Ų | 124 | 40.9 Ų | 40.9 | 66% | 0.663 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -60.9 | -29.7 | 175.9 | -63.3 | -27.1 | 0 | 0 | 0 | 112.1 | R272 A483 | R272-D479 IonicContact NH2-OD1 3.7Å; R272-D479 PolarHBondContact NH2-OD1 2.98Å; D479-A483 VanDerWaalsContact O-CB 3.31Å; D479-A483 WeakPolarHBondContact O-CB 3.28Å; D479-A483 PolarHBondContact O-N 2.95Å |
| 480 | K | 91.7 | Very high | 93.6 | Very high | 149 Ų | 149 | 42.1 Ų | 42.1 | 65% | 0.648 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -64 | -48.8 | 173.6 | -178.1 | -176.3 | 171.5 | -170.2 | 0 | 111.4 | T478 L482 A483 E484 | T478-K480 PolarHBondContact O-N 3.07Å; K480-L482 VanDerWaalsContact C-N 3.33Å; K480-L482 PolarHBondContact O-N 3.25Å; K480-A483 PolarHBondContact O-N 3.04Å; K480-E484 WeakPolarHBondContact CE-OE1 3.37Å; K480-E484 IonicContact NZ-OE1 3.58Å; K480-E484 WeakPolarHBondContact O-CG 3.31Å; K480-E484 PolarHBondContact O-N 3Å |
| 481 | E | 91.8 | Very high | 93.2 | Very high | 27 Ų | 27 | 43.5 Ų | 43.5 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.6 | -39.3 | 179.2 | -72.6 | 160.9 | 149.1 | 0 | 0 | 111.6 | L477 T478 E484 G485 R486 P490 | L477-E481 HydrophobicContact CD2-CB 3.84Å; T478-E481 WeakPolarHBondContact CB-OE2 3.27Å; T478-E481 WeakPolarHBondContact CG2-OE2 3.36Å; T478-E481 PolarHBondContact N-OE2 3.4Å; T478-E481 PolarHBondContact O-N 2.8Å; T478-E481 VanDerWaalsContact O-N 3.11Å; T478-E481 WeakPolarHBondContact OG1-CB 3.45Å; T478-E481 WeakPolarHBondContact OG1-CG 3.48Å; T478-E481 PolarHBondContact OG1-N 2.93Å; T478-E481 PolarHBondContact OG1-OE2 3.28Å; E481-E484 WeakPolarHBondContact O-CB 3.32Å; E481-E484 PolarHBondContact O-N 3.06Å; E481-G485 PolarHBondContact O-N 3.29Å; E481-R486 HydrophobicContact CB-CB 4.27Å; E481-R486 VanDerWaalsContact O-CB 3.27Å; E481-R486 WeakPolarHBondContact O-CB 3.5Å; E481-R486 PolarHBondContact O-N 3.08Å; E481-P490 WeakPolarHBondContact OE1-CD 3.34Å; E481-P490 WeakPolarHBondContact OE1-CG 3.18Å |
| 482 | L | 90 | Very high | 92.9 | Very high | 15 Ų | 15 | 44 Ų | 44 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 173.1 | -72.6 | 171.5 | 0 | 0 | 0 | 112.2 | A269 R272 A273 L477 T478 K480 E484 G485 | A269-L482 HydrophobicContact CB-CD2 4.14Å; R272-L482 HydrophobicContact CB-CD1 4.19Å; A273-L482 HydrophobicContact CB-CD2 4.43Å; L477-L482 HydrophobicContact CB-CD2 4.33Å; L477-L482 HydrophobicContact CB-CG 4.14Å; L477-L482 HydrophobicContact CD1-CD2 3.93Å; T478-L482 PolarHBondContact O-N 3.01Å; K480-L482 VanDerWaalsContact C-N 3.33Å; K480-L482 PolarHBondContact O-N 3.25Å; L482-E484 VanDerWaalsContact C-N 3.29Å; L482-E484 PolarHBondContact O-N 3.35Å; L482-G485 WeakPolarHBondContact O-CA 3.5Å; L482-G485 PolarHBondContact O-N 3.27Å |
| 483 | A | 87 | Confident | 92.7 | Very high | 91 Ų | 91 | 47.8 Ų | 47.8 | 75% | 0.752 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.7 | -29.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D479 K480 G485 | D479-A483 VanDerWaalsContact O-CB 3.31Å; D479-A483 WeakPolarHBondContact O-CB 3.28Å; D479-A483 PolarHBondContact O-N 2.95Å; K480-A483 PolarHBondContact O-N 3.04Å; A483-G485 PolarHBondContact O-N 3.47Å |
| 484 | E | 86.8 | Confident | 92.6 | Very high | 73 Ų | 73 | 47.9 Ų | 47.9 | 34% | 0.341 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -3.9 | 169.7 | -69.8 | 174.4 | -172.8 | 0 | 0 | 113.1 | K480 E481 L482 R486 | K480-E484 WeakPolarHBondContact CE-OE1 3.37Å; K480-E484 IonicContact NZ-OE1 3.58Å; K480-E484 WeakPolarHBondContact O-CG 3.31Å; K480-E484 PolarHBondContact O-N 3Å; E481-E484 WeakPolarHBondContact O-CB 3.32Å; E481-E484 PolarHBondContact O-N 3.06Å; L482-E484 VanDerWaalsContact C-N 3.29Å; L482-E484 PolarHBondContact O-N 3.35Å; E484-R486 HydrophobicContact CB-CG 4.38Å; E484-R486 IonicContact OE2-CZ 3.53Å; E484-R486 IonicContact OE2-NE 3.61Å; E484-R486 PolarHBondContact OE2-NE 2.99Å; E484-R486 IonicContact OE2-NH2 3.62Å |
| 485 | G | 84.5 | Confident | 92.5 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 6% | 0.062 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 12.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E481 L482 A483 | E481-G485 PolarHBondContact O-N 3.29Å; L482-G485 WeakPolarHBondContact O-CA 3.5Å; L482-G485 PolarHBondContact O-N 3.27Å; A483-G485 PolarHBondContact O-N 3.47Å |
| 486 | R | 91.9 | Very high | 92.6 | Very high | 45 Ų | 45 | 47.8 Ų | 47.8 | 17% | 0.17 | 26% | 0.26 | C | S | . | . | trans | -77.1 | 140.9 | 176.7 | -58 | 175.1 | -177.2 | -102.7 | 5.7 | 110.5 | L477 E481 E484 | L477-R486 HydrophobicContact CD2-CB 4.43Å; E481-R486 HydrophobicContact CB-CB 4.27Å; E481-R486 VanDerWaalsContact O-CB 3.27Å; E481-R486 WeakPolarHBondContact O-CB 3.5Å; E481-R486 PolarHBondContact O-N 3.08Å; E484-R486 HydrophobicContact CB-CG 4.38Å; E484-R486 IonicContact OE2-CZ 3.53Å; E484-R486 IonicContact OE2-NE 3.61Å; E484-R486 PolarHBondContact OE2-NE 2.99Å; E484-R486 IonicContact OE2-NH2 3.62Å | ||
| 487 | L | 96.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -111.8 | -1.8 | 176.9 | -65.2 | 179.5 | 0 | 0 | 0 | 113.6 | A269 A270 F392 L417 A419 L477 | A269-L487 HydrophobicContact CB-CB 4.48Å; A269-L487 HydrophobicContact CB-CD2 4.02Å; A270-L487 HydrophobicContact CB-CD2 3.87Å; F392-L487 HydrophobicContact CD1-CD1 4.47Å; F392-L487 HydrophobicContact CE1-CD1 3.4Å; F392-L487 HydrophobicContact CZ-CD1 3.85Å; L417-L487 HydrophobicContact CB-CD1 4.21Å; L417-L487 HydrophobicContact CD2-CD2 4Å; A419-L487 HydrophobicContact CB-CD1 4.14Å; L477-L487 VanDerWaalsContact CD1-C 3.47Å; L477-L487 WeakPolarHBondContact CD1-O 3.36Å |
| 488 | Y | 96.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 2% | 0.02 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -144.1 | 150.7 | 176.2 | -58.3 | -79 | 0 | 0 | 0 | 109.5 | V262 A265 G266 A419 Y444 L473 L477 | V262-Y488 HydrophobicContact CG2-CD1 4.24Å; V262-Y488 HydrophobicContact CG2-CE1 3.55Å; V262-Y488 WeakPolarHBondContact O-CE1 3.31Å; V262-Y488 PolarHBondContact O-OH 3.08Å; A265-Y488 HydrophobicContact CB-CE1 4.43Å; G266-Y488 WeakPolarHBondContact CA-OH 3.43Å; A419-Y488 HydrophobicContact CB-CE2 3.78Å; Y444-Y488 HydrophobicContact CD2-CD1 4.4Å; Y444-Y488 HydrophobicContact CE2-CG 4.37Å; L473-Y488 HydrophobicContact CD2-CD1 4.15Å; L473-Y488 HydrophobicContact CD2-CE1 4.37Å; L477-Y488 VanDerWaalsContact CD2-C 3.45Å; L477-Y488 WeakPolarHBondContact CD2-O 3.44Å |
| 489 | P | 94.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 42.5 Ų | 42.5 | 5% | 0.045 | 23% | 0.23 | C | C | . | . | trans | -56.7 | 162.4 | 172.5 | -24 | 34.8 | 0 | 0 | 0 | 112.1 | Y444 L473 Q476 L477 V497 | Y444-P489 PolarHBondContact OH-O 3.32Å; L473-P489 HydrophobicContact CD1-CG 4.09Å; Q476-P489 HydrophobicContact CB-CG 4.19Å; L477-P489 HydrophobicContact CG-CG 4.42Å; P489-V497 HydrophobicContact CB-CG2 3.87Å; P489-V497 HydrophobicContact CG-CG2 4.03Å | ||
| 490 | P | 92.1 | Very high | 93.6 | Very high | 27 Ų | 27 | 39.1 Ų | 39.1 | 18% | 0.175 | 21% | 0.211 | C | C | . | . | trans | -61.8 | 141.9 | 171.5 | -24.2 | 34.4 | 0 | 0 | 0 | 112.3 | E481 A492 N493 | E481-P490 WeakPolarHBondContact OE1-CD 3.34Å; E481-P490 WeakPolarHBondContact OE1-CG 3.18Å; P490-A492 VanDerWaalsContact C-N 3.25Å; P490-A492 PolarHBondContact O-N 2.92Å; P490-N493 WeakPolarHBondContact O-CB 3.36Å; P490-N493 PolarHBondContact O-N 3.3Å | ||
| 491 | L | 90.4 | Very high | 93.9 | Very high | 28 Ų | 28 | 32 Ų | 32 | 15% | 0.147 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -65.5 | -27.8 | 179.2 | -80.1 | 171.5 | 0 | 0 | 0 | 112.5 | E81 M84 V443 Y444 N493 I494 | E81-L491 HydrophobicContact CG-CB 3.81Å; E81-L491 PolarHBondContact OE1-N 2.9Å; M84-L491 HydrophobicContact CE-CD1 3.56Å; M84-L491 HydrophobicContact CE-CD2 3.65Å; M84-L491 HydrophobicContact CE-CG 4.18Å; M84-L491 HydrophobicContact SD-CD2 4.43Å; V443-L491 HydrophobicContact CG1-CD2 4.21Å; Y444-L491 HydrophobicContact CE1-CD2 4.4Å; Y444-L491 HydrophobicContact CE2-CD2 4Å; Y444-L491 VanDerWaalsContact OH-CD2 3.25Å; Y444-L491 WeakPolarHBondContact OH-CD2 3.24Å; Y444-L491 WeakPolarHBondContact OH-CG 3.3Å; L491-N493 PolarHBondContact O-N 3.31Å; L491-N493 VanDerWaalsContact O-N 3.1Å; L491-I494 HydrophobicContact CD2-CD1 4.47Å; L491-I494 WeakPolarHBondContact O-CB 3.41Å; L491-I494 WeakPolarHBondContact O-CG2 3.38Å; L491-I494 PolarHBondContact O-N 3.42Å |
| 492 | A | 92.1 | Very high | 94.2 | Very high | 59 Ų | 59 | 30.7 Ų | 30.7 | 49% | 0.488 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -55 | -27.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | E81 P490 | E81-A492 HydrophobicContact CG-CB 4.04Å; E81-A492 WeakPolarHBondContact OE1-CB 3.48Å; E81-A492 PolarHBondContact OE1-N 3.22Å; P490-A492 VanDerWaalsContact C-N 3.25Å; P490-A492 PolarHBondContact O-N 2.92Å |
| 493 | N | 94.2 | Very high | 94.7 | Very high | 84 Ų | 84 | 30.3 Ų | 30.3 | 45% | 0.449 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -95 | 5 | 178.8 | -65.4 | -19.4 | 0 | 0 | 0 | 113.2 | P490 L491 R495 E496 V497 | P490-N493 WeakPolarHBondContact O-CB 3.36Å; P490-N493 PolarHBondContact O-N 3.3Å; L491-N493 PolarHBondContact O-N 3.31Å; L491-N493 VanDerWaalsContact O-N 3.1Å; N493-R495 PolarHBondContact O-N 2.96Å; N493-E496 PolarHBondContact O-N 2.88Å; N493-V497 HydrophobicContact CB-CG2 4.46Å; N493-V497 WeakPolarHBondContact O-CG2 3.49Å; N493-V497 PolarHBondContact O-N 3.06Å |
| 494 | I | 96.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53 | -32.4 | -171.4 | -169.9 | 59.9 | 0 | 0 | 0 | 113.4 | I80 C166 V443 Y444 L491 V497 S498 | I80-I494 HydrophobicContact CG1-CG2 3.98Å; I80-I494 HydrophobicContact CG2-CG2 4.25Å; C166-I494 HydrophobicContact CB-CG1 4.12Å; V443-I494 HydrophobicContact CG1-CD1 4.12Å; V443-I494 HydrophobicContact CG1-CG1 4.48Å; V443-I494 HydrophobicContact CG2-CG1 4.27Å; Y444-I494 HydrophobicContact CD1-CD1 3.29Å; Y444-I494 HydrophobicContact CE1-CD1 3.51Å; Y444-I494 HydrophobicContact CG-CD1 3.91Å; L491-I494 HydrophobicContact CD2-CD1 4.47Å; L491-I494 WeakPolarHBondContact O-CB 3.41Å; L491-I494 WeakPolarHBondContact O-CG2 3.38Å; L491-I494 PolarHBondContact O-N 3.42Å; I494-V497 PolarHBondContact O-N 2.99Å; I494-S498 WeakPolarHBondContact O-CB 3.39Å; I494-S498 PolarHBondContact O-N 3.32Å; I494-S498 PolarHBondContact O-OG 3.25Å |
| 495 | R | 97.2 | Very high | 95.8 | Very high | 57 Ų | 57 | 25.9 Ų | 25.9 | 22% | 0.215 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.8 | -49.7 | 179.3 | -179 | 171.4 | -174.9 | 100.6 | -1.5 | 112.6 | M77 T164 A165 C166 N493 V497 S498 L499 F533 | M77-R495 VanDerWaalsContact CE-CZ 3.48Å; M77-R495 VanDerWaalsContact CE-NH1 3.32Å; T164-R495 PolarHBondContact O-NH1 2.94Å; A165-R495 PolarHBondContact O-NH1 3.48Å; C166-R495 WeakPolarHBondContact O-CA 3.43Å; C166-R495 WeakPolarHBondContact O-CG 3.39Å; N493-R495 PolarHBondContact O-N 2.96Å; R495-V497 PolarHBondContact O-N 3.28Å; R495-S498 PolarHBondContact O-N 3.31Å; R495-L499 HydrophobicContact CG-CD1 4.43Å; R495-L499 WeakPolarHBondContact O-CG 3.47Å; R495-L499 PolarHBondContact O-N 3.34Å; R495-F533 PolarHBondContact NH2-O 3.23Å |
| 496 | E | 97.6 | Very high | 96.5 | Very high | 76 Ų | 76 | 25.6 Ų | 25.6 | 36% | 0.355 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62 | -38.7 | 175.3 | -177.4 | 55.3 | -154.2 | 0 | 0 | 110.5 | N493 S498 L499 Q500 R529 | N493-E496 PolarHBondContact O-N 2.88Å; E496-S498 VanDerWaalsContact C-N 3.35Å; E496-S498 PolarHBondContact O-N 3.48Å; E496-L499 PolarHBondContact O-N 3.26Å; E496-Q500 WeakPolarHBondContact O-CG 3.48Å; E496-Q500 PolarHBondContact O-N 3.02Å; E496-Q500 PolarHBondContact OE1-NE2 3.12Å; E496-R529 VanDerWaalsContact CD-NH2 3.29Å; E496-R529 IonicContact OE1-CZ 2.8Å; E496-R529 IonicContact OE1-NH1 2.99Å; E496-R529 IonicContact OE1-NH2 2.92Å; E496-R529 PolarHBondContact OE1-NH2 2.77Å; E496-R529 IonicContact OE2-CZ 3.91Å; E496-R529 IonicContact OE2-NH1 3.33Å; E496-R529 PolarHBondContact OE2-NH1 2.79Å; E496-R529 IonicContact OE2-NH2 2.92Å; E496-R529 PolarHBondContact OE2-NH2 3.34Å; E496-R529 VanDerWaalsContact OE2-NH2 3.1Å |
| 497 | V | 98.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.024 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.6 | -46.3 | 175.7 | 175.4 | 0 | 0 | 0 | 0 | 112.4 | Y444 L473 P489 N493 I494 R495 L499 Q500 I501 | Y444-V497 HydrophobicContact CD1-CG1 3.98Å; L473-V497 HydrophobicContact CD1-CG1 3.59Å; P489-V497 HydrophobicContact CB-CG2 3.87Å; P489-V497 HydrophobicContact CG-CG2 4.03Å; N493-V497 HydrophobicContact CB-CG2 4.46Å; N493-V497 WeakPolarHBondContact O-CG2 3.49Å; N493-V497 PolarHBondContact O-N 3.06Å; I494-V497 PolarHBondContact O-N 2.99Å; R495-V497 PolarHBondContact O-N 3.28Å; V497-L499 VanDerWaalsContact C-N 3.35Å; V497-L499 PolarHBondContact O-N 3.31Å; V497-Q500 PolarHBondContact O-N 2.95Å; V497-I501 HydrophobicContact CG1-CD1 3.91Å; V497-I501 WeakPolarHBondContact O-CG1 3.44Å; V497-I501 PolarHBondContact O-N 2.92Å |
| 498 | S | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.6 | -40 | 178 | -59 | 0 | 0 | 0 | 0 | 112 | C166 G448 I494 R495 E496 A502 | C166-S498 VanDerWaalsContact O-CB 3.25Å; C166-S498 WeakPolarHBondContact O-CB 3.38Å; C166-S498 PolarHBondContact O-OG 2.9Å; G448-S498 VanDerWaalsContact CA-O 3.23Å; G448-S498 WeakPolarHBondContact CA-O 2.99Å; I494-S498 WeakPolarHBondContact O-CB 3.39Å; I494-S498 PolarHBondContact O-N 3.32Å; I494-S498 PolarHBondContact O-OG 3.25Å; R495-S498 PolarHBondContact O-N 3.31Å; E496-S498 VanDerWaalsContact C-N 3.35Å; E496-S498 PolarHBondContact O-N 3.48Å; S498-A502 WeakPolarHBondContact O-CB 3.43Å; S498-A502 PolarHBondContact O-N 3.44Å |
| 499 | L | 98.6 | Very high | 97 | Very high | 10 Ų | 10 | 28.1 Ų | 28.1 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.7 | -40.9 | 178.2 | -66 | 174.1 | 0 | 0 | 0 | 111.8 | A167 R495 E496 V497 A502 V503 V528 A532 | A167-L499 WeakPolarHBondContact O-CD2 3.5Å; R495-L499 HydrophobicContact CG-CD1 4.43Å; R495-L499 WeakPolarHBondContact O-CG 3.47Å; R495-L499 PolarHBondContact O-N 3.34Å; E496-L499 PolarHBondContact O-N 3.26Å; V497-L499 VanDerWaalsContact C-N 3.35Å; V497-L499 PolarHBondContact O-N 3.31Å; L499-A502 WeakPolarHBondContact O-CB 3.32Å; L499-A502 PolarHBondContact O-N 3.35Å; L499-V503 WeakPolarHBondContact O-CG2 3.38Å; L499-V503 PolarHBondContact O-N 2.67Å; L499-V528 HydrophobicContact CD2-CG1 3.82Å; L499-A532 HydrophobicContact CD2-CB 4.2Å |
| 500 | Q | 98.6 | Very high | 97.2 | Very high | 53 Ų | 53 | 28.5 Ų | 28.5 | 25% | 0.248 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.1 | -41.6 | 176.8 | -67.8 | -60.5 | -26.4 | 0 | 0 | 112.1 | E496 V497 A502 V503 K504 | E496-Q500 WeakPolarHBondContact O-CG 3.48Å; E496-Q500 PolarHBondContact O-N 3.02Å; E496-Q500 PolarHBondContact OE1-NE2 3.12Å; V497-Q500 PolarHBondContact O-N 2.95Å; Q500-A502 VanDerWaalsContact C-N 3.28Å; Q500-A502 PolarHBondContact O-N 3.04Å; Q500-V503 PolarHBondContact O-N 2.85Å; Q500-K504 WeakPolarHBondContact O-CG 3.46Å; Q500-K504 PolarHBondContact O-N 2.83Å |
| 501 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 171.2 | -70.3 | 167.7 | 0 | 0 | 0 | 109.9 | Y444 V449 A469 L473 V497 V503 K504 V505 | Y444-I501 WeakPolarHBondContact O-CD1 3.48Å; V449-I501 HydrophobicContact CG2-CG2 4.45Å; A469-I501 HydrophobicContact CB-CG2 4.02Å; L473-I501 HydrophobicContact CB-CD1 4.09Å; L473-I501 HydrophobicContact CD1-CD1 4.39Å; V497-I501 HydrophobicContact CG1-CD1 3.91Å; V497-I501 WeakPolarHBondContact O-CG1 3.44Å; V497-I501 PolarHBondContact O-N 2.92Å; I501-V503 VanDerWaalsContact C-N 3.29Å; I501-V503 PolarHBondContact O-N 3.14Å; I501-K504 PolarHBondContact O-N 3.14Å; I501-V505 HydrophobicContact CG2-CG2 3.96Å; I501-V505 WeakPolarHBondContact O-CB 3.29Å; I501-V505 VanDerWaalsContact O-CG2 3.29Å; I501-V505 WeakPolarHBondContact O-CG2 3.37Å; I501-V505 PolarHBondContact O-N 3.21Å |
| 502 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60 | -41 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | G448 M451 A452 S498 L499 Q500 M506 V528 | G448-A502 WeakPolarHBondContact O-CA 3.43Å; G448-A502 WeakPolarHBondContact O-CB 3.38Å; M451-A502 HydrophobicContact CB-CB 3.9Å; M451-A502 HydrophobicContact CG-CB 3.82Å; A452-A502 HydrophobicContact CB-CB 4.49Å; A452-A502 WeakPolarHBondContact CB-O 3.31Å; S498-A502 WeakPolarHBondContact O-CB 3.43Å; S498-A502 PolarHBondContact O-N 3.44Å; L499-A502 WeakPolarHBondContact O-CB 3.32Å; L499-A502 PolarHBondContact O-N 3.35Å; Q500-A502 VanDerWaalsContact C-N 3.28Å; Q500-A502 PolarHBondContact O-N 3.04Å; A502-M506 WeakPolarHBondContact O-CB 3.33Å; A502-M506 PolarHBondContact O-N 3.04Å; A502-V528 HydrophobicContact CB-CG1 4.08Å |
| 503 | V | 98.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.2 | -48.7 | 175.9 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | L499 Q500 I501 M506 E507 N525 V528 | L499-V503 WeakPolarHBondContact O-CG2 3.38Å; L499-V503 PolarHBondContact O-N 2.67Å; Q500-V503 PolarHBondContact O-N 2.85Å; I501-V503 VanDerWaalsContact C-N 3.29Å; I501-V503 PolarHBondContact O-N 3.14Å; V503-M506 WeakPolarHBondContact O-CB 3.25Å; V503-M506 PolarHBondContact O-N 3.3Å; V503-E507 WeakPolarHBondContact O-CG 3.49Å; V503-E507 PolarHBondContact O-N 3.18Å; V503-N525 HydrophobicContact CG1-CB 4.4Å; V503-N525 HydrophobicContact CG2-CB 4.08Å; V503-V528 HydrophobicContact CG2-CB 4.18Å; V503-V528 HydrophobicContact CG2-CG1 4.45Å; V503-V528 HydrophobicContact CG2-CG2 4.07Å |
| 504 | K | 98.7 | Very high | 98.2 | Very high | 72 Ų | 72 | 34.2 Ų | 34.2 | 31% | 0.313 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.8 | -44.1 | -179.2 | -71.1 | -58.8 | -179.3 | -169 | 0 | 113.3 | S472 Q500 I501 M506 E507 F508 | S472-K504 WeakPolarHBondContact OG-CG 3.43Å; Q500-K504 WeakPolarHBondContact O-CG 3.46Å; Q500-K504 PolarHBondContact O-N 2.83Å; I501-K504 PolarHBondContact O-N 3.14Å; K504-M506 VanDerWaalsContact C-N 3.32Å; K504-M506 PolarHBondContact O-N 3.15Å; K504-E507 WeakPolarHBondContact CD-OE2 3.45Å; K504-E507 IonicContact NZ-OE2 2.76Å; K504-E507 PolarHBondContact NZ-OE2 3.34Å; K504-E507 WeakPolarHBondContact O-CB 3.39Å; K504-E507 PolarHBondContact O-N 3.43Å; K504-F508 WeakPolarHBondContact O-CB 3.35Å; K504-F508 PolarHBondContact O-N 2.83Å |
| 505 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.1 | -38.1 | 175.5 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | A452 V465 A469 I501 F508 V509 | A452-V505 HydrophobicContact CB-CB 3.65Å; A452-V505 HydrophobicContact CB-CG1 3.54Å; V465-V505 HydrophobicContact CG1-CG1 3.69Å; A469-V505 HydrophobicContact CB-CG2 3.98Å; I501-V505 HydrophobicContact CG2-CG2 3.96Å; I501-V505 WeakPolarHBondContact O-CB 3.29Å; I501-V505 VanDerWaalsContact O-CG2 3.29Å; I501-V505 WeakPolarHBondContact O-CG2 3.37Å; I501-V505 PolarHBondContact O-N 3.21Å; V505-F508 WeakPolarHBondContact O-CB 3.21Å; V505-F508 PolarHBondContact O-N 3.42Å; V505-V509 HydrophobicContact CG1-CG1 4.27Å; V505-V509 WeakPolarHBondContact O-CG1 3.16Å; V505-V509 WeakPolarHBondContact O-CG2 2.92Å; V505-V509 PolarHBondContact O-N 3.21Å |
| 506 | M | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 173.3 | -179.3 | 175.6 | -66.7 | 0 | 0 | 111.5 | A452 L455 S456 A502 V503 K504 F508 V509 Y510 K524 F527 V528 | A452-M506 HydrophobicContact CB-CB 4.48Å; L455-M506 HydrophobicContact CB-CE 3.41Å; L455-M506 VanDerWaalsContact CB-CE 3.41Å; L455-M506 HydrophobicContact CD1-CE 4.11Å; L455-M506 HydrophobicContact CG-CE 4.43Å; S456-M506 WeakPolarHBondContact OG-CG 3.41Å; A502-M506 WeakPolarHBondContact O-CB 3.33Å; A502-M506 PolarHBondContact O-N 3.04Å; V503-M506 WeakPolarHBondContact O-CB 3.25Å; V503-M506 PolarHBondContact O-N 3.3Å; K504-M506 VanDerWaalsContact C-N 3.32Å; K504-M506 PolarHBondContact O-N 3.15Å; M506-F508 VanDerWaalsContact C-N 3.28Å; M506-F508 PolarHBondContact O-N 3.21Å; M506-V509 VanDerWaalsContact O-CG2 3.3Å; M506-V509 WeakPolarHBondContact O-CG2 3.29Å; M506-V509 PolarHBondContact O-N 2.86Å; M506-Y510 HydrophobicContact CG-CD2 3.75Å; M506-Y510 HydrophobicContact CG-CE2 3.62Å; M506-Y510 VanDerWaalsContact O-CD2 3.25Å; M506-Y510 WeakPolarHBondContact O-CD2 3.44Å; M506-Y510 PolarHBondContact O-N 2.99Å; M506-Y510 VanDerWaalsContact O-N 3.13Å; M506-Y510 HydrophobicContact SD-CE2 4.21Å; M506-K524 HydrophobicContact CG-CB 4.48Å; M506-K524 HydrophobicContact CG-CD 4.03Å; M506-K524 HydrophobicContact CG-CG 4.18Å; M506-K524 HydrophobicContact SD-CB 3.84Å; M506-K524 HydrophobicContact SD-CD 4.32Å; M506-K524 HydrophobicContact SD-CG 3.8Å; M506-F527 HydrophobicContact CE-CD1 3.98Å; M506-F527 HydrophobicContact CE-CE1 3.99Å; M506-F527 HydrophobicContact SD-CD1 4.09Å; M506-V528 HydrophobicContact CE-CG2 3.66Å; M506-V528 HydrophobicContact SD-CG2 4.13Å |
| 507 | E | 98.7 | Very high | 98.3 | Very high | 79 Ų | 79 | 37.7 Ų | 37.7 | 37% | 0.369 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -52.6 | -47.8 | 174.2 | -73.5 | 171.1 | 176.2 | 0 | 0 | 111.4 | V503 K504 A511 K524 | V503-E507 WeakPolarHBondContact O-CG 3.49Å; V503-E507 PolarHBondContact O-N 3.18Å; K504-E507 WeakPolarHBondContact CD-OE2 3.45Å; K504-E507 IonicContact NZ-OE2 2.76Å; K504-E507 PolarHBondContact NZ-OE2 3.34Å; K504-E507 WeakPolarHBondContact O-CB 3.39Å; K504-E507 PolarHBondContact O-N 3.43Å; E507-A511 WeakPolarHBondContact O-CB 3.05Å; E507-A511 PolarHBondContact O-N 3.35Å; E507-K524 HydrophobicContact CB-CD 4.41Å; E507-K524 HydrophobicContact CG-CD 3.58Å |
| 508 | F | 98.6 | Very high | 98.2 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -48.6 | 179.1 | 172.2 | -92.7 | 0 | 0 | 0 | 113.2 | T464 V465 E468 K504 V505 M506 Y510 A511 K512 M514 | T464-F508 WeakPolarHBondContact OG1-CZ 3.27Å; V465-F508 HydrophobicContact CG2-CE1 4.19Å; E468-F508 HydrophobicContact CB-CB 4.49Å; E468-F508 HydrophobicContact CB-CD1 4.43Å; E468-F508 HydrophobicContact CB-CD2 4.24Å; E468-F508 HydrophobicContact CB-CG 4.14Å; E468-F508 HydrophobicContact CG-CB 3.78Å; E468-F508 HydrophobicContact CG-CD2 4.05Å; E468-F508 HydrophobicContact CG-CG 3.9Å; K504-F508 WeakPolarHBondContact O-CB 3.35Å; K504-F508 PolarHBondContact O-N 2.83Å; V505-F508 WeakPolarHBondContact O-CB 3.21Å; V505-F508 PolarHBondContact O-N 3.42Å; M506-F508 VanDerWaalsContact C-N 3.28Å; M506-F508 PolarHBondContact O-N 3.21Å; F508-Y510 VanDerWaalsContact C-N 3.34Å; F508-Y510 PolarHBondContact O-N 2.99Å; F508-A511 PolarHBondContact O-N 3.47Å; F508-K512 HydrophobicContact CD1-CG 4.47Å; F508-K512 HydrophobicContact CD2-CG 4.15Å; F508-K512 HydrophobicContact CE1-CG 4.08Å; F508-K512 HydrophobicContact CE2-CD 4.32Å; F508-K512 HydrophobicContact CE2-CG 3.74Å; F508-K512 HydrophobicContact CG-CG 4.48Å; F508-K512 HydrophobicContact CZ-CD 4.49Å; F508-K512 HydrophobicContact CZ-CG 3.68Å; F508-K512 WeakPolarHBondContact O-CB 3.08Å; F508-K512 WeakPolarHBondContact O-CG 3.39Å; F508-K512 PolarHBondContact O-N 3.01Å; F508-M514 HydrophobicContact CE1-SD 4.11Å |
| 509 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.7 | -32.1 | -176.4 | -62.6 | 0 | 0 | 0 | 0 | 112.5 | V458 V465 V505 M506 G513 M514 A515 | V458-V509 HydrophobicContact CG2-CB 3.94Å; V458-V509 HydrophobicContact CG2-CG1 4.03Å; V458-V509 HydrophobicContact CG2-CG2 3.95Å; V465-V509 HydrophobicContact CG2-CG1 4.29Å; V505-V509 HydrophobicContact CG1-CG1 4.27Å; V505-V509 WeakPolarHBondContact O-CG1 3.16Å; V505-V509 WeakPolarHBondContact O-CG2 2.92Å; V505-V509 PolarHBondContact O-N 3.21Å; M506-V509 VanDerWaalsContact O-CG2 3.3Å; M506-V509 WeakPolarHBondContact O-CG2 3.29Å; M506-V509 PolarHBondContact O-N 2.86Å; V509-G513 PolarHBondContact O-N 3.24Å; V509-M514 HydrophobicContact CB-CB 4.03Å; V509-M514 HydrophobicContact CG1-CB 4.48Å; V509-M514 HydrophobicContact CG1-SD 4.37Å; V509-M514 WeakPolarHBondContact O-CB 3.34Å; V509-M514 PolarHBondContact O-N 3.28Å; V509-A515 HydrophobicContact CG2-CB 4.37Å; V509-A515 PolarHBondContact O-N 3.47Å |
| 510 | Y | 98.6 | Very high | 98.1 | Very high | 16 Ų | 16 | 54 Ų | 54 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.2 | -47.5 | 169.8 | -81.8 | -74.9 | 0 | 0 | 0 | 111.1 | M506 F508 K512 G513 A515 R517 E520 P521 | M506-Y510 HydrophobicContact CG-CD2 3.75Å; M506-Y510 HydrophobicContact CG-CE2 3.62Å; M506-Y510 VanDerWaalsContact O-CD2 3.25Å; M506-Y510 WeakPolarHBondContact O-CD2 3.44Å; M506-Y510 PolarHBondContact O-N 2.99Å; M506-Y510 VanDerWaalsContact O-N 3.13Å; M506-Y510 HydrophobicContact SD-CE2 4.21Å; F508-Y510 VanDerWaalsContact C-N 3.34Å; F508-Y510 PolarHBondContact O-N 2.99Å; Y510-K512 PolarHBondContact O-N 3.13Å; Y510-G513 PolarHBondContact O-N 3.26Å; Y510-A515 HydrophobicContact CD1-CB 3.48Å; Y510-A515 VanDerWaalsContact CD1-CB 3.48Å; Y510-A515 HydrophobicContact CD2-CB 4.19Å; Y510-A515 HydrophobicContact CE1-CB 3.46Å; Y510-A515 VanDerWaalsContact CE1-CB 3.46Å; Y510-A515 HydrophobicContact CE2-CB 4.17Å; Y510-A515 HydrophobicContact CG-CB 3.85Å; Y510-R517 WeakPolarHBondContact CE1-O 3.45Å; Y510-R517 PolarHBondContact OH-O 3.42Å; Y510-R517 VanDerWaalsContact OH-O 3.14Å; Y510-E520 WeakPolarHBondContact CB-OE1 3.48Å; Y510-E520 HydrophobicContact CD1-CB 3.83Å; Y510-E520 HydrophobicContact CD1-CG 3.53Å; Y510-E520 HydrophobicContact CD2-CG 4.12Å; Y510-E520 HydrophobicContact CE1-CB 3.65Å; Y510-E520 HydrophobicContact CE1-CG 3.67Å; Y510-E520 HydrophobicContact CE2-CG 4.26Å; Y510-E520 HydrophobicContact CG-CG 3.79Å; Y510-P521 VanDerWaalsContact OH-CD 3.27Å; Y510-P521 WeakPolarHBondContact OH-CD 3.17Å |
| 511 | A | 98.2 | Very high | 98 | Very high | 88 Ų | 88 | 52.4 Ų | 52.4 | 73% | 0.727 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.4 | -29 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E507 F508 | E507-A511 WeakPolarHBondContact O-CB 3.05Å; E507-A511 PolarHBondContact O-N 3.35Å; F508-A511 PolarHBondContact O-N 3.47Å |
| 512 | K | 97.7 | Very high | 97.9 | Very high | 138 Ų | 138 | 61.2 Ų | 61.2 | 60% | 0.6 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 2.2 | 176.1 | -63.5 | -60 | -176.6 | -179.1 | 0 | 114.2 | F508 Y510 M514 | F508-K512 HydrophobicContact CD1-CG 4.47Å; F508-K512 HydrophobicContact CD2-CG 4.15Å; F508-K512 HydrophobicContact CE1-CG 4.08Å; F508-K512 HydrophobicContact CE2-CD 4.32Å; F508-K512 HydrophobicContact CE2-CG 3.74Å; F508-K512 HydrophobicContact CG-CG 4.48Å; F508-K512 HydrophobicContact CZ-CD 4.49Å; F508-K512 HydrophobicContact CZ-CG 3.68Å; F508-K512 WeakPolarHBondContact O-CB 3.08Å; F508-K512 WeakPolarHBondContact O-CG 3.39Å; F508-K512 PolarHBondContact O-N 3.01Å; Y510-K512 PolarHBondContact O-N 3.13Å; K512-M514 VanDerWaalsContact C-N 3.26Å; K512-M514 HydrophobicContact CB-CG 3.9Å; K512-M514 HydrophobicContact CB-SD 3.97Å; K512-M514 PolarHBondContact O-N 3.16Å |
| 513 | G | 97.5 | Very high | 97.9 | Very high | 54 Ų | 54 | 66 Ų | 66 | 56% | 0.557 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 25.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V509 Y510 | V509-G513 PolarHBondContact O-N 3.24Å; Y510-G513 PolarHBondContact O-N 3.26Å |
| 514 | M | 97.4 | Very high | 97.9 | Very high | 37 Ų | 37 | 67.1 Ų | 67.1 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | trans | -91.6 | -16.9 | -179.4 | -60.6 | 174.6 | 64.8 | 0 | 0 | 113.1 | C462 V465 F508 V509 K512 F516 | C462-M514 WeakPolarHBondContact SG-CE 3.29Å; V465-M514 HydrophobicContact CG2-CE 3.8Å; F508-M514 HydrophobicContact CE1-SD 4.11Å; V509-M514 HydrophobicContact CB-CB 4.03Å; V509-M514 HydrophobicContact CG1-CB 4.48Å; V509-M514 HydrophobicContact CG1-SD 4.37Å; V509-M514 WeakPolarHBondContact O-CB 3.34Å; V509-M514 PolarHBondContact O-N 3.28Å; K512-M514 VanDerWaalsContact C-N 3.26Å; K512-M514 HydrophobicContact CB-CG 3.9Å; K512-M514 HydrophobicContact CB-SD 3.97Å; K512-M514 PolarHBondContact O-N 3.16Å; M514-F516 WeakPolarHBondContact O-CD2 3.37Å; M514-F516 WeakPolarHBondContact O-CE2 3.49Å | ||
| 515 | A | 98 | Very high | 97.8 | Very high | 3 Ų | 3 | 66.5 Ų | 66.5 | 3% | 0.025 | 35% | 0.348 | C | S | . | . | trans | -79.1 | 141.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V509 Y510 Y518 | V509-A515 HydrophobicContact CG2-CB 4.37Å; V509-A515 PolarHBondContact O-N 3.47Å; Y510-A515 HydrophobicContact CD1-CB 3.48Å; Y510-A515 VanDerWaalsContact CD1-CB 3.48Å; Y510-A515 HydrophobicContact CD2-CB 4.19Å; Y510-A515 HydrophobicContact CE1-CB 3.46Å; Y510-A515 VanDerWaalsContact CE1-CB 3.46Å; Y510-A515 HydrophobicContact CE2-CB 4.17Å; Y510-A515 HydrophobicContact CG-CB 3.85Å; A515-Y518 WeakPolarHBondContact O-CE2 3.37Å; A515-Y518 PolarHBondContact O-OH 3.42Å | ||
| 516 | F | 97.5 | Very high | 97.8 | Very high | 95 Ų | 95 | 67.8 Ų | 67.8 | 42% | 0.417 | 36% | 0.362 | S | S | . | . | trans | -116.4 | -4.5 | 176 | -66 | -100.8 | 0 | 0 | 0 | 113.8 | S456 G457 R459 M514 Y518 | S456-F516 PolarHBondContact O-N 3.31Å; G457-F516 VanDerWaalsContact O-CB 3.3Å; G457-F516 WeakPolarHBondContact O-CB 3.45Å; G457-F516 WeakPolarHBondContact O-CD2 3.4Å; R459-F516 HydrophobicContact CB-CD2 4.24Å; R459-F516 HydrophobicContact CB-CE2 3.94Å; R459-F516 HydrophobicContact CG-CD2 3.69Å; R459-F516 HydrophobicContact CG-CE2 3.81Å; R459-F516 HydrophobicContact CG-CG 4.14Å; R459-F516 HydrophobicContact CG-CZ 4.34Å; R459-F516 VanDerWaalsContact CZ-CD1 3.48Å; M514-F516 WeakPolarHBondContact O-CD2 3.37Å; M514-F516 WeakPolarHBondContact O-CE2 3.49Å; F516-Y518 WeakPolarHBondContact O-CD2 3.34Å; F516-Y518 PolarHBondContact O-N 2.94Å | ||
| 517 | R | 96.9 | Very high | 97.8 | Very high | 111 Ų | 111 | 70 Ų | 70 | 42% | 0.419 | 37% | 0.371 | S | S | . | . | trans | -75.8 | 123.5 | 168.2 | 176.6 | 176.8 | -72.9 | -126.8 | -2.5 | 109.5 | L455 S456 Y510 | L455-R517 WeakPolarHBondContact O-CD 3.4Å; L455-R517 PolarHBondContact O-NE 2.87Å; S456-R517 PolarHBondContact O-N 3.08Å; Y510-R517 WeakPolarHBondContact CE1-O 3.45Å; Y510-R517 PolarHBondContact OH-O 3.42Å; Y510-R517 VanDerWaalsContact OH-O 3.14Å | ||
| 518 | Y | 96.1 | Very high | 97.8 | Very high | 153 Ų | 153 | 66.2 Ų | 66.2 | 60% | 0.6 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -133.3 | 147.2 | 173.5 | -70.7 | -84.7 | 0 | 0 | 0 | 111.6 | A515 F516 | A515-Y518 WeakPolarHBondContact O-CE2 3.37Å; A515-Y518 PolarHBondContact O-OH 3.42Å; F516-Y518 WeakPolarHBondContact O-CD2 3.34Å; F516-Y518 PolarHBondContact O-N 2.94Å |
| 519 | P | 96.8 | Very high | 97.7 | Very high | 117 Ų | 117 | 69.5 Ų | 69.5 | 76% | 0.76 | 37% | 0.365 | S | S | * | . | S | Bend | cis | -69.1 | 154.4 | -2.4 | 30.6 | -35.7 | 0 | 0 | 0 | 113 | ||
| 520 | E | 98.2 | Very high | 97.7 | Very high | 88 Ų | 88 | 73.4 Ų | 73.4 | 41% | 0.411 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 130.7 | 173.6 | 177.2 | 176.2 | 180 | 0 | 0 | 110 | Y510 L522 K524 | Y510-E520 WeakPolarHBondContact CB-OE1 3.48Å; Y510-E520 HydrophobicContact CD1-CB 3.83Å; Y510-E520 HydrophobicContact CD1-CG 3.53Å; Y510-E520 HydrophobicContact CD2-CG 4.12Å; Y510-E520 HydrophobicContact CE1-CB 3.65Å; Y510-E520 HydrophobicContact CE1-CG 3.67Å; Y510-E520 HydrophobicContact CE2-CG 4.26Å; Y510-E520 HydrophobicContact CG-CG 3.79Å; E520-L522 PolarHBondContact O-N 3.4Å; E520-K524 WeakPolarHBondContact OE1-CE 3.17Å; E520-K524 IonicContact OE1-NZ 3.73Å; E520-K524 PolarHBondContact OE1-NZ 2.72Å |
| 521 | P | 97.4 | Very high | 97.5 | Very high | 19 Ų | 19 | 74.7 Ų | 74.7 | 12% | 0.123 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 126.5 | 175.9 | -22.6 | 32.3 | 0 | 0 | 0 | 111.6 | Y510 K524 F527 | Y510-P521 VanDerWaalsContact OH-CD 3.27Å; Y510-P521 WeakPolarHBondContact OH-CD 3.17Å; P521-K524 HydrophobicContact CB-CG 4.37Å; P521-K524 PolarHBondContact O-NZ 2.96Å; P521-F527 HydrophobicContact CB-CB 3.9Å; P521-F527 HydrophobicContact CB-CD1 3.99Å; P521-F527 HydrophobicContact CB-CG 3.96Å; P521-F527 HydrophobicContact CG-CB 4.33Å; P521-F527 HydrophobicContact CG-CD1 3.48Å; P521-F527 VanDerWaalsContact CG-CD1 3.48Å; P521-F527 HydrophobicContact CG-CE1 3.87Å; P521-F527 HydrophobicContact CG-CG 3.85Å |
| 522 | L | 96.4 | Very high | 97.5 | Very high | 184 Ų | 184 | 71.2 Ų | 71.2 | 96% | 0.963 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -63.1 | -46.6 | 175.8 | -66.4 | 175.6 | 0 | 0 | 0 | 111.2 | E520 | E520-L522 PolarHBondContact O-N 3.4Š|
| 523 | D | 98.1 | Very high | 97.4 | Very high | 101 Ų | 101 | 64.8 Ų | 64.8 | 54% | 0.54 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -108.7 | 95.1 | 171.8 | 177.5 | 10.9 | 0 | 0 | 0 | 109.5 | N525 G526 F527 | D523-N525 VanDerWaalsContact C-N 3.33Å; D523-N525 PolarHBondContact OD1-N 3.5Å; D523-N525 VanDerWaalsContact OD1-N 3.16Å; D523-G526 VanDerWaalsContact CG-N 3.26Å; D523-G526 PolarHBondContact OD1-N 3.11Å; D523-G526 VanDerWaalsContact OD2-CA 3.32Å; D523-G526 WeakPolarHBondContact OD2-CA 3.24Å; D523-G526 PolarHBondContact OD2-N 3.23Å; D523-F527 VanDerWaalsContact O-CB 3.24Å; D523-F527 WeakPolarHBondContact O-CB 3.36Å; D523-F527 PolarHBondContact O-N 3.21Å |
| 524 | K | 98.1 | Very high | 97.3 | Very high | 29 Ų | 29 | 65.6 Ų | 65.6 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.8 | -37 | 179.4 | -67.6 | 170.1 | -178.3 | 64 | 0 | 111.9 | M506 E507 E520 P521 F527 V528 | M506-K524 HydrophobicContact CG-CB 4.48Å; M506-K524 HydrophobicContact CG-CD 4.03Å; M506-K524 HydrophobicContact CG-CG 4.18Å; M506-K524 HydrophobicContact SD-CB 3.84Å; M506-K524 HydrophobicContact SD-CD 4.32Å; M506-K524 HydrophobicContact SD-CG 3.8Å; E507-K524 HydrophobicContact CB-CD 4.41Å; E507-K524 HydrophobicContact CG-CD 3.58Å; E520-K524 WeakPolarHBondContact OE1-CE 3.17Å; E520-K524 IonicContact OE1-NZ 3.73Å; E520-K524 PolarHBondContact OE1-NZ 2.72Å; P521-K524 HydrophobicContact CB-CG 4.37Å; P521-K524 PolarHBondContact O-NZ 2.96Å; K524-F527 PolarHBondContact O-N 3.04Å; K524-V528 WeakPolarHBondContact O-CB 3.05Å; K524-V528 VanDerWaalsContact O-CG2 3.22Å; K524-V528 WeakPolarHBondContact O-CG2 3.36Å; K524-V528 PolarHBondContact O-N 2.92Å |
| 525 | N | 98.3 | Very high | 97.2 | Very high | 59 Ų | 59 | 64.9 Ų | 64.9 | 32% | 0.316 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.5 | -50 | 178.7 | -176.2 | 22.7 | 0 | 0 | 0 | 111 | V503 D523 F527 V528 R529 | V503-N525 HydrophobicContact CG1-CB 4.4Å; V503-N525 HydrophobicContact CG2-CB 4.08Å; D523-N525 VanDerWaalsContact C-N 3.33Å; D523-N525 PolarHBondContact OD1-N 3.5Å; D523-N525 VanDerWaalsContact OD1-N 3.16Å; N525-F527 VanDerWaalsContact C-N 3.31Å; N525-F527 PolarHBondContact O-N 3.15Å; N525-V528 PolarHBondContact O-N 3.07Å; N525-R529 WeakPolarHBondContact O-CB 3.18Å; N525-R529 WeakPolarHBondContact O-CG 3.33Å; N525-R529 PolarHBondContact O-N 3.37Å; N525-R529 PolarHBondContact OD1-NE 3.28Å |
| 526 | G | 98.3 | Very high | 97 | Very high | 28 Ų | 28 | 69.5 Ų | 69.5 | 29% | 0.289 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.1 | -42.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D523 R529 A530 | D523-G526 VanDerWaalsContact CG-N 3.26Å; D523-G526 PolarHBondContact OD1-N 3.11Å; D523-G526 VanDerWaalsContact OD2-CA 3.32Å; D523-G526 WeakPolarHBondContact OD2-CA 3.24Å; D523-G526 PolarHBondContact OD2-N 3.23Å; G526-R529 PolarHBondContact O-N 2.93Å; G526-A530 WeakPolarHBondContact O-CB 3.35Å; G526-A530 PolarHBondContact O-N 2.85Å |
| 527 | F | 98.3 | Very high | 96.8 | Very high | 45 Ų | 45 | 67.2 Ų | 67.2 | 20% | 0.197 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 178.1 | 174.7 | -114.4 | 0 | 0 | 0 | 113.4 | L455 M506 P521 D523 K524 N525 T531 | L455-F527 HydrophobicContact CB-CE1 3.93Å; L455-F527 HydrophobicContact CD1-CE1 4.26Å; L455-F527 HydrophobicContact CD2-CE1 4.5Å; L455-F527 HydrophobicContact CD2-CZ 4.36Å; L455-F527 HydrophobicContact CG-CE1 4.47Å; M506-F527 HydrophobicContact CE-CD1 3.98Å; M506-F527 HydrophobicContact CE-CE1 3.99Å; M506-F527 HydrophobicContact SD-CD1 4.09Å; P521-F527 HydrophobicContact CB-CB 3.9Å; P521-F527 HydrophobicContact CB-CD1 3.99Å; P521-F527 HydrophobicContact CB-CG 3.96Å; P521-F527 HydrophobicContact CG-CB 4.33Å; P521-F527 HydrophobicContact CG-CD1 3.48Å; P521-F527 VanDerWaalsContact CG-CD1 3.48Å; P521-F527 HydrophobicContact CG-CE1 3.87Å; P521-F527 HydrophobicContact CG-CG 3.85Å; D523-F527 VanDerWaalsContact O-CB 3.24Å; D523-F527 WeakPolarHBondContact O-CB 3.36Å; D523-F527 PolarHBondContact O-N 3.21Å; K524-F527 PolarHBondContact O-N 3.04Å; N525-F527 VanDerWaalsContact C-N 3.31Å; N525-F527 PolarHBondContact O-N 3.15Å; F527-T531 PolarHBondContact O-N 2.93Å; F527-T531 PolarHBondContact O-OG1 3.03Å |
| 528 | V | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.5 | -49.2 | 176.3 | 168.5 | 0 | 0 | 0 | 0 | 110.2 | M451 L455 L499 A502 V503 M506 K524 N525 A530 T531 A532 | M451-V528 HydrophobicContact CG-CG1 4.35Å; L455-V528 HydrophobicContact CD1-CB 4.32Å; L455-V528 HydrophobicContact CD1-CG2 3.94Å; L499-V528 HydrophobicContact CD2-CG1 3.82Å; A502-V528 HydrophobicContact CB-CG1 4.08Å; V503-V528 HydrophobicContact CG2-CB 4.18Å; V503-V528 HydrophobicContact CG2-CG1 4.45Å; V503-V528 HydrophobicContact CG2-CG2 4.07Å; M506-V528 HydrophobicContact CE-CG2 3.66Å; M506-V528 HydrophobicContact SD-CG2 4.13Å; K524-V528 WeakPolarHBondContact O-CB 3.05Å; K524-V528 VanDerWaalsContact O-CG2 3.22Å; K524-V528 WeakPolarHBondContact O-CG2 3.36Å; K524-V528 PolarHBondContact O-N 2.92Å; N525-V528 PolarHBondContact O-N 3.07Å; V528-A530 PolarHBondContact O-N 3.4Å; V528-T531 PolarHBondContact O-N 3.32Å; V528-A532 PolarHBondContact O-N 3.31Å; V528-A532 VanDerWaalsContact O-N 3.08Å |
| 529 | R | 97.9 | Very high | 96.2 | Very high | 94 Ų | 94 | 62.5 Ų | 62.5 | 36% | 0.355 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | -178.4 | -70.1 | -177.9 | -172.4 | -85.1 | -6.5 | 113.3 | E496 N525 G526 T531 A532 | E496-R529 VanDerWaalsContact CD-NH2 3.29Å; E496-R529 IonicContact OE1-CZ 2.8Å; E496-R529 IonicContact OE1-NH1 2.99Å; E496-R529 IonicContact OE1-NH2 2.92Å; E496-R529 PolarHBondContact OE1-NH2 2.77Å; E496-R529 IonicContact OE2-CZ 3.91Å; E496-R529 IonicContact OE2-NH1 3.33Å; E496-R529 PolarHBondContact OE2-NH1 2.79Å; E496-R529 IonicContact OE2-NH2 2.92Å; E496-R529 PolarHBondContact OE2-NH2 3.34Å; E496-R529 VanDerWaalsContact OE2-NH2 3.1Å; N525-R529 WeakPolarHBondContact O-CB 3.18Å; N525-R529 WeakPolarHBondContact O-CG 3.33Å; N525-R529 PolarHBondContact O-N 3.37Å; N525-R529 PolarHBondContact OD1-NE 3.28Å; G526-R529 PolarHBondContact O-N 2.93Å; R529-T531 PolarHBondContact O-N 3.36Å; R529-A532 PolarHBondContact O-N 3.39Å |
| 530 | A | 97 | Very high | 95.8 | Very high | 83 Ų | 83 | 59.8 Ų | 59.8 | 69% | 0.686 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67.4 | -24.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G526 V528 | G526-A530 WeakPolarHBondContact O-CB 3.35Å; G526-A530 PolarHBondContact O-N 2.85Å; V528-A530 PolarHBondContact O-N 3.4Å |
| 531 | T | 95.6 | Very high | 95.5 | Very high | 43 Ų | 43 | 57.1 Ų | 57.1 | 26% | 0.264 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -90.6 | -25.1 | -179.8 | -48.9 | 0 | 0 | 0 | 0 | 112.8 | L455 F527 V528 R529 F533 | L455-T531 HydrophobicContact CD2-CG2 3.55Å; F527-T531 PolarHBondContact O-N 2.93Å; F527-T531 PolarHBondContact O-OG1 3.03Å; V528-T531 PolarHBondContact O-N 3.32Å; R529-T531 PolarHBondContact O-N 3.36Å; T531-F533 PolarHBondContact O-N 3.23Å |
| 532 | A | 97.2 | Very high | 95.1 | Very high | 15 Ų | 15 | 60.9 Ų | 60.9 | 12% | 0.124 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -58.6 | 132.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G168 M451 L499 V528 R529 N534 | G168-A532 CarbonylContact O-C 3.48Å; G168-A532 WeakPolarHBondContact O-CA 3.35Å; M451-A532 HydrophobicContact CE-CB 4.05Å; L499-A532 HydrophobicContact CD2-CB 4.2Å; V528-A532 PolarHBondContact O-N 3.31Å; V528-A532 VanDerWaalsContact O-N 3.08Å; R529-A532 PolarHBondContact O-N 3.39Å; A532-N534 PolarHBondContact O-N 3.3Å |
| 533 | F | 96.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 1% | 0.013 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 128.1 | 176.6 | 176.2 | -98 | 0 | 0 | 0 | 111.4 | R70 Y73 T164 G168 R170 P171 R495 T531 T535 | R70-F533 VanDerWaalsContact CZ-CE2 3.48Å; Y73-F533 AromaticContact CD2-CE1 3.74Å; Y73-F533 HydrophobicContact CD2-CE1 3.74Å; Y73-F533 AromaticContact CD2-CZ 3.94Å; Y73-F533 HydrophobicContact CD2-CZ 3.94Å; Y73-F533 AromaticContact CG-CE1 3.95Å; Y73-F533 HydrophobicContact CG-CE1 3.95Å; T164-F533 HydrophobicContact CG2-CB 4.42Å; T164-F533 HydrophobicContact CG2-CD1 3.56Å; T164-F533 HydrophobicContact CG2-CE1 3.91Å; T164-F533 HydrophobicContact CG2-CG 4.06Å; G168-F533 WeakPolarHBondContact O-CB 3.45Å; G168-F533 PolarHBondContact O-N 2.95Å; R170-F533 HydrophobicContact CG-CB 4.37Å; R170-F533 HydrophobicContact CG-CD2 4.47Å; P171-F533 HydrophobicContact CG-CD2 4.32Å; P171-F533 HydrophobicContact CG-CE1 4.49Å; P171-F533 HydrophobicContact CG-CE2 3.99Å; P171-F533 HydrophobicContact CG-CZ 4.07Å; R495-F533 PolarHBondContact NH2-O 3.23Å; T531-F533 PolarHBondContact O-N 3.23Å; F533-T535 HydrophobicContact CE1-CG2 4.37Å |
| 534 | N | 93.7 | Very high | 94.6 | Very high | 71 Ų | 71 | 61.1 Ų | 61.1 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -94.7 | 169.3 | 170.9 | 63.9 | 34.2 | 0 | 0 | 0 | 110.2 | R70 A532 | R70-N534 PolarHBondContact NH1-O 3.34Å; R70-N534 PolarHBondContact NH1-OD1 2.83Å; A532-N534 PolarHBondContact O-N 3.3Å |
| 535 | T | 95.6 | Very high | 94.3 | Very high | 21 Ų | 21 | 68.3 Ų | 68.3 | 13% | 0.129 | 38% | 0.379 | C | S | . | . | trans | -102.7 | -6.1 | 178.2 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | Q37 R74 M77 F533 | Q37-T535 PolarHBondContact NE2-O 3.16Å; Q37-T535 PolarHBondContact OE1-O 2.88Å; R74-T535 HydrophobicContact CB-CG2 4.37Å; M77-T535 HydrophobicContact CE-CG2 4.18Å; M77-T535 HydrophobicContact SD-CG2 3.51Å; M77-T535 VanDerWaalsContact SD-CG2 3.51Å; F533-T535 HydrophobicContact CE1-CG2 4.37Å | ||
| 536 | D | 94.8 | Very high | 93.9 | Very high | 100 Ų | 100 | 71.4 Ų | 71.4 | 54% | 0.535 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -62.5 | 148.3 | 179.9 | -62.2 | -32 | 0 | 0 | 0 | 111.2 | R70 | R70-D536 WeakPolarHBondContact CD-O 2.95Š|
| 537 | Y | 94 | Very high | 93.4 | Very high | 48 Ų | 48 | 77.3 Ų | 77.3 | 19% | 0.188 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 128.9 | 172.6 | -74 | -46.6 | 0 | 0 | 0 | 110.5 | M12 A15 Q37 Q40 N68 R70 | M12-Y537 HydrophobicContact CB-CD1 4.03Å; M12-Y537 HydrophobicContact CB-CD2 4.48Å; M12-Y537 HydrophobicContact CB-CE1 3.95Å; M12-Y537 HydrophobicContact CB-CE2 4.4Å; M12-Y537 HydrophobicContact CB-CG 4.32Å; M12-Y537 HydrophobicContact CG-CD1 3.56Å; M12-Y537 HydrophobicContact CG-CE1 3.9Å; M12-Y537 HydrophobicContact CG-CG 3.97Å; M12-Y537 WeakPolarHBondContact SD-CB 3.29Å; M12-Y537 HydrophobicContact SD-CD1 3.79Å; M12-Y537 HydrophobicContact SD-CD2 4.35Å; M12-Y537 HydrophobicContact SD-CG 3.64Å; A15-Y537 HydrophobicContact CB-CD2 3.78Å; A15-Y537 HydrophobicContact CB-CE2 3.45Å; A15-Y537 VanDerWaalsContact CB-CE2 3.45Å; Q37-Y537 HydrophobicContact CB-CD2 3.92Å; Q37-Y537 HydrophobicContact CB-CE2 3.54Å; Q37-Y537 HydrophobicContact CG-CD2 4.08Å; Q37-Y537 HydrophobicContact CG-CE2 3.46Å; Q37-Y537 VanDerWaalsContact CG-CE2 3.46Å; Q40-Y537 PolarHBondContact OE1-OH 3.03Å; N68-Y537 PolarHBondContact ND2-OH 2.81Å; N68-Y537 PolarHBondContact OD1-OH 2.81Å; R70-Y537 HydrophobicContact CB-CD1 3.87Å; R70-Y537 HydrophobicContact CB-CE1 3.68Å; R70-Y537 HydrophobicContact CG-CD1 4.2Å; R70-Y537 HydrophobicContact CG-CE1 4.41Å |
| 538 | D | 89.6 | Confident | 92.9 | Very high | 88 Ų | 88 | 81.6 Ų | 81.6 | 47% | 0.471 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 146.4 | 169.2 | -56.7 | -54.6 | 0 | 0 | 0 | 110 | R70 | R70-D538 IonicContact CZ-OD2 3.33Å; R70-D538 IonicContact NH2-OD2 2.99Å; R70-D538 PolarHBondContact NH2-OD2 3.08Å |
| 539 | S | 89 | Confident | 92 | Very high | 76 Ų | 76 | 85.6 Ų | 85.6 | 53% | 0.531 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 135.6 | 169.3 | -168.1 | 0 | 0 | 0 | 0 | 109.9 | E20 L541 | E20-S539 PolarHBondContact OE1-OG 3.33Å; S539-L541 VanDerWaalsContact C-N 3.29Å; S539-L541 PolarHBondContact OG-N 3.28Å |
| 540 | L | 89.1 | Confident | 90.7 | Very high | 61 Ų | 61 | 87.8 Ų | 87.8 | 32% | 0.319 | 50% | 0.495 | S | S | . | . | trans | -89.8 | 2.2 | 174 | -57.1 | -173.7 | 0 | 0 | 0 | 112.6 | Q10 M12 F16 L24 | Q10-L540 HydrophobicContact CB-CD1 4.07Å; Q10-L540 HydrophobicContact CG-CD2 4.45Å; M12-L540 HydrophobicContact CE-CG 4.2Å; F16-L540 HydrophobicContact CE1-CD1 3.75Å; F16-L540 HydrophobicContact CE1-CG 4.5Å; F16-L540 HydrophobicContact CZ-CD1 4.22Å; L24-L540 HydrophobicContact CD1-CB 4.2Å; L24-L540 HydrophobicContact CD1-CD1 4.06Å; L24-L540 HydrophobicContact CD2-CB 4.42Å | ||
| 541 | L | 91.2 | Very high | 89.1 | Confident | 32 Ų | 32 | 89.2 Ų | 89.2 | 17% | 0.168 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -79.4 | 146.1 | 175.6 | -61.6 | -175 | 0 | 0 | 0 | 110.3 | Q19 E20 I23 S539 | Q19-L541 HydrophobicContact CG-CD1 3.87Å; E20-L541 HydrophobicContact CG-CD1 3.95Å; E20-L541 HydrophobicContact CG-CD2 3.98Å; E20-L541 HydrophobicContact CG-CG 3.68Å; I23-L541 HydrophobicContact CB-CD2 3.88Å; I23-L541 HydrophobicContact CD1-CD1 4.22Å; I23-L541 HydrophobicContact CD1-CD2 3.68Å; I23-L541 HydrophobicContact CG1-CD2 4.35Å; I23-L541 HydrophobicContact CG2-CD2 3.8Å; S539-L541 VanDerWaalsContact C-N 3.29Å; S539-L541 PolarHBondContact OG-N 3.28Å |
| 542 | P | 90.7 | Very high | 87.4 | Confident | 97 Ų | 97 | 97.1 Ų | 97.1 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 141.8 | 171.7 | 28.4 | -34 | 0 | 0 | 0 | 110.3 | T544 | P542-T544 PolarHBondContact O-N 3.47Š|
| 543 | D | 92.1 | Very high | 85.4 | Confident | 160 Ų | 160 | 103.3 Ų | 103.3 | 86% | 0.856 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 128.9 | 170 | -75.2 | -23.2 | 0 | 0 | 0 | 109.9 | ||
| 544 | T | 91.9 | Very high | 83.5 | Confident | 130 Ų | 130 | 109 Ų | 109 | 80% | 0.798 | 59% | 0.586 | S | S | * | * | trans | -120.7 | 138 | 177.2 | 59.9 | 0 | 0 | 0 | 0 | 110 | P542 | P542-T544 PolarHBondContact O-N 3.47Š| ||
| 545 | Y | 90.1 | Very high | 81.5 | Confident | 180 Ų | 180 | 109.5 Ų | 109.5 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | trans | -145 | 145.6 | 176.6 | 59.2 | -89.4 | 0 | 0 | 0 | 110.1 | W547 | Y545-W547 AromaticContact CE2-CD1 3.76Å; Y545-W547 AromaticContact CE2-NE1 3.64Å | ||
| 546 | D | 89.6 | Confident | 79.3 | Confident | 124 Ų | 124 | 113.7 Ų | 113.7 | 66% | 0.663 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 144.6 | 178.2 | -69.8 | -42 | 0 | 0 | 0 | 110.9 | ||
| 547 | W | 88.2 | Confident | 77.3 | Confident | 153 Ų | 153 | 115.9 Ų | 115.9 | 58% | 0.58 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 137.8 | 173.5 | -74.6 | 13.9 | 0 | 0 | 0 | 110.8 | Y545 G549 K550 | Y545-W547 AromaticContact CE2-CD1 3.76Å; Y545-W547 AromaticContact CE2-NE1 3.64Å; W547-G549 PolarHBondContact O-N 2.96Å; W547-K550 HydrophobicContact CB-CD 4.22Å; W547-K550 HydrophobicContact CE3-CD 4.25Å; W547-K550 VanDerWaalsContact CE3-NZ 3.31Å; W547-K550 PolarHBondContact O-N 2.97Å |
| 548 | P | 87.9 | Confident | 75 | Confident | 134 Ų | 134 | 120.9 Ų | 120.9 | 87% | 0.87 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | 132.1 | 176.8 | -25.2 | 33.6 | 0 | 0 | 0 | 112.3 | K550 | P548-K550 VanDerWaalsContact C-N 3.3Å; P548-K550 PolarHBondContact O-N 2.87Å |
| 549 | G | 80.1 | Confident | 72.8 | Confident | 85 Ų | 85 | 126.3 Ų | 126.3 | 88% | 0.876 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.3 | -3.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | W547 T551 | W547-G549 PolarHBondContact O-N 2.96Å; G549-T551 PolarHBondContact O-N 3.18Å |
| 550 | K | 71.3 | Confident | 72 | Confident | 140 Ų | 140 | 128.8 Ų | 128.8 | 61% | 0.609 | 71% | 0.71 | S | S | * | * | trans | -87.8 | 94.1 | 167.3 | -76.2 | -172.8 | 177.9 | 172.7 | 0 | 109.4 | W547 P548 R552 | W547-K550 HydrophobicContact CB-CD 4.22Å; W547-K550 HydrophobicContact CE3-CD 4.25Å; W547-K550 VanDerWaalsContact CE3-NZ 3.31Å; W547-K550 PolarHBondContact O-N 2.97Å; P548-K550 VanDerWaalsContact C-N 3.3Å; P548-K550 PolarHBondContact O-N 2.87Å; K550-R552 PolarHBondContact O-N 2.76Å | ||
| 551 | T | 61.6 | Low | 71.1 | Confident | 113 Ų | 113 | 132.4 Ų | 132.4 | 69% | 0.693 | 73% | 0.73 | S | S | * | * | trans | -57.9 | 135.1 | 157.4 | 40.2 | 0 | 0 | 0 | 0 | 107.6 | G549 N553 | G549-T551 PolarHBondContact O-N 3.18Å; T551-N553 PolarHBondContact O-N 2.83Å | ||
| 552 | R | 61.7 | Low | 70 | Confident | 209 Ų | 209 | 137.9 Ų | 137.9 | 79% | 0.789 | 76% | 0.762 | S | S | * | * | trans | -57.1 | 88.6 | 167.4 | -73.9 | -178.2 | -178.6 | -177.1 | 0.3 | 107.1 | K550 T554 | K550-R552 PolarHBondContact O-N 2.76Å; R552-T554 PolarHBondContact O-N 2.84Å | ||
| 553 | N | 55.2 | Low | 68.8 | Low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -65.9 | 90.7 | 166.8 | -88.8 | -1.5 | 0 | 0 | 0 | 104.7 | T551 A555 | T551-N553 PolarHBondContact O-N 2.83Å; N553-A555 PolarHBondContact O-N 3.49Å | ||
| 554 | T | 56.7 | Low | 67.3 | Low | 122 Ų | 122 | 139.1 Ų | 139.1 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -60.6 | 78.4 | 156.5 | 43.1 | 0 | 0 | 0 | 0 | 106.5 | R552 T556 | R552-T554 PolarHBondContact O-N 2.84Å; T554-T556 PolarHBondContact O-N 3.37Å | ||
| 555 | A | 51.7 | Low | 65.7 | Low | 82 Ų | 82 | 139.7 Ų | 139.7 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -66.5 | 92.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 104.2 | N553 I557 | N553-A555 PolarHBondContact O-N 3.49Å; A555-I557 PolarHBondContact O-N 3.11Å | ||
| 556 | T | 47.8 | Very low | 63.9 | Low | 109 Ų | 109 | 136.9 Ų | 136.9 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -54.5 | 97 | 166 | -46.1 | 0 | 0 | 0 | 0 | 106.3 | T554 L558 | T554-T556 PolarHBondContact O-N 3.37Å; T556-L558 HydrophobicContact CG2-CG 3.99Å; T556-L558 PolarHBondContact O-N 2.97Å | ||
| 557 | I | 53.1 | Low | 61.9 | Low | 146 Ų | 146 | 137.8 Ų | 137.8 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -74.2 | 89.2 | 163.3 | -60.6 | 176.9 | 0 | 0 | 0 | 104.1 | A555 V559 | A555-I557 PolarHBondContact O-N 3.11Å; I557-V559 HydrophobicContact CG2-CG2 4.24Å; I557-V559 PolarHBondContact O-N 3.34Å | ||
| 558 | L | 45.9 | Very low | 59.7 | Low | 153 Ų | 153 | 136.6 Ų | 136.6 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | -63.1 | 116.1 | 161.3 | -81.2 | 156.7 | 0 | 0 | 0 | 106.4 | T556 | T556-L558 HydrophobicContact CG2-CG 3.99Å; T556-L558 PolarHBondContact O-N 2.97Å | ||
| 559 | V | 44 | Very low | 57.2 | Low | 202 Ų | 202 | 136.8 Ų | 136.8 | 100% | 1.224 | 78% | 0.782 | S | S | * | * | trans | -92.8 | 0 | 163 | -177.3 | 0 | 0 | 0 | 0 | 108 | I557 | I557-V559 HydrophobicContact CG2-CG2 4.24Å; I557-V559 PolarHBondContact O-N 3.34Å |
Retrieved 559 of 559 residues in 258.3 ms
(Link to these results)