| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.8 | Very low | 51.7 | Low | 240 Ų | 240 | 127.7 Ų | 127.7 | 100% | 1.182 | 80% | 0.801 | S | S | * | * | 0 | 130.6 | 0 | -62.4 | -48.5 | -171.3 | 0 | 0 | 108.2 | |||||
| 2 | A | 47.4 | Very low | 52.5 | Low | 103 Ų | 103 | 129.6 Ų | 129.6 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -85.6 | 128 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | A4 | A2-A4 PolarHBondContact O-N 3.02Š| ||
| 3 | G | 44.7 | Very low | 54.2 | Low | 73 Ų | 73 | 126.9 Ų | 126.9 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -71.9 | 116.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | E5 | G3-E5 PolarHBondContact O-N 3.3Š| ||
| 4 | A | 52.8 | Low | 56.3 | Low | 99 Ų | 99 | 127.8 Ų | 127.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -83.4 | 89.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | A2 | A2-A4 PolarHBondContact O-N 3.02Š| ||
| 5 | E | 55.3 | Low | 58.7 | Low | 172 Ų | 172 | 123.9 Ų | 123.9 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -55.3 | 128.5 | 172.3 | -76 | -67.6 | 97 | 0 | 0 | 110 | G3 F7 | G3-E5 PolarHBondContact O-N 3.3Å; E5-F7 PolarHBondContact O-N 2.89Å | ||
| 6 | P | 53.9 | Low | 60.7 | Low | 96 Ų | 96 | 121 Ų | 121 | 62% | 0.623 | 71% | 0.713 | S | S | * | * | trans | -70 | 120.6 | -175.3 | 27 | -33.1 | 0 | 0 | 0 | 110.6 | L8 | P6-L8 VanDerWaalsContact C-N 3.32Å; P6-L8 PolarHBondContact O-N 3.26Å | ||
| 7 | F | 53 | Low | 62.7 | Low | 198 Ų | 198 | 118.8 Ų | 118.8 | 87% | 0.868 | 70% | 0.703 | S | S | * | * | trans | -67.7 | 88.3 | 173.5 | -173.9 | -93.2 | 0 | 0 | 0 | 109.9 | E5 A9 | E5-F7 PolarHBondContact O-N 2.89Å; F7-A9 PolarHBondContact O-N 3.18Å; F7-A9 VanDerWaalsContact O-N 3.11Å | ||
| 8 | L | 54.5 | Low | 64.4 | Low | 150 Ų | 150 | 112.6 Ų | 112.6 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | trans | -66.1 | 109.4 | 174.7 | -67.1 | 178.4 | 0 | 0 | 0 | 109.1 | P6 D10 | P6-L8 VanDerWaalsContact C-N 3.32Å; P6-L8 PolarHBondContact O-N 3.26Å; L8-D10 PolarHBondContact O-N 2.96Å | ||
| 9 | A | 54.3 | Low | 65.8 | Low | 88 Ų | 88 | 116.6 Ų | 116.6 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | trans | -69.3 | 95.4 | 175 | 0 | 0 | 0 | 0 | 0 | 109.3 | F7 G11 | F7-A9 PolarHBondContact O-N 3.18Å; F7-A9 VanDerWaalsContact O-N 3.11Å; A9-G11 VanDerWaalsContact C-N 3.28Å; A9-G11 PolarHBondContact O-N 3.43Å | ||
| 10 | D | 56 | Low | 67 | Low | 105 Ų | 105 | 112.5 Ų | 112.5 | 56% | 0.561 | 66% | 0.655 | S | S | * | * | trans | -75.9 | 72 | -165 | -161 | -6 | 0 | 0 | 0 | 113 | L8 N12 Q13 | L8-D10 PolarHBondContact O-N 2.96Å; D10-N12 PolarHBondContact O-N 2.95Å; D10-Q13 HydrophobicContact CB-CG 4.13Å; D10-Q13 WeakPolarHBondContact OD1-CG 2.98Å; D10-Q13 WeakPolarHBondContact OD2-CG 3.44Å; D10-Q13 PolarHBondContact OD2-NE2 3.26Å | ||
| 11 | G | 57 | Low | 68.2 | Low | 81 Ų | 81 | 109 Ų | 109 | 84% | 0.835 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 2.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | A9 | A9-G11 VanDerWaalsContact C-N 3.28Å; A9-G11 PolarHBondContact O-N 3.43Å |
| 12 | N | 61.6 | Low | 70.6 | Confident | 150 Ų | 150 | 100.3 Ų | 100.3 | 80% | 0.802 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.1 | 46.3 | -177.9 | -162.4 | 23.8 | 0 | 0 | 0 | 113.7 | D10 E14 | D10-N12 PolarHBondContact O-N 2.95Å; N12-E14 PolarHBondContact O-N 3.26Å |
| 13 | Q | 74.4 | Confident | 72.8 | Confident | 95 Ų | 95 | 103.7 Ų | 103.7 | 44% | 0.444 | 60% | 0.599 | S | S | . | * | trans | -59.6 | 129.6 | 171.4 | -68.6 | -174.9 | -12.8 | 0 | 0 | 111.4 | D10 L15 A26 | D10-Q13 HydrophobicContact CB-CG 4.13Å; D10-Q13 WeakPolarHBondContact OD1-CG 2.98Å; D10-Q13 WeakPolarHBondContact OD2-CG 3.44Å; D10-Q13 PolarHBondContact OD2-NE2 3.26Å; Q13-L15 HydrophobicContact CB-CD2 4.48Å; Q13-L15 WeakPolarHBondContact O-CG 3.24Å; Q13-L15 PolarHBondContact O-N 3.27Å; Q13-A26 HydrophobicContact CB-CB 4.36Å | ||
| 14 | E | 83.8 | Confident | 75.1 | Confident | 139 Ų | 139 | 108 Ų | 108 | 65% | 0.65 | 59% | 0.592 | S | S | * | * | trans | -69.5 | 116 | 176.7 | -167.3 | 175.4 | -178.6 | 0 | 0 | 110.7 | N12 F16 | N12-E14 PolarHBondContact O-N 3.26Å; E14-F16 HydrophobicContact CB-CE2 3.89Å; E14-F16 HydrophobicContact CB-CZ 4.08Å; E14-F16 HydrophobicContact CG-CE1 4.14Å; E14-F16 HydrophobicContact CG-CE2 3.83Å; E14-F16 HydrophobicContact CG-CZ 3.61Å; E14-F16 WeakPolarHBondContact O-CD2 3.11Å; E14-F16 WeakPolarHBondContact O-CE2 3.37Å; E14-F16 WeakPolarHBondContact OE2-CZ 3.36Å | ||
| 15 | L | 91.6 | Very high | 77 | Confident | 70 Ų | 70 | 105.2 Ų | 105.2 | 37% | 0.366 | 56% | 0.561 | S | S | . | * | trans | -97.9 | 103.1 | -173.9 | -59.9 | -177.5 | 0 | 0 | 0 | 112 | Q13 R24 F25 A26 | Q13-L15 HydrophobicContact CB-CD2 4.48Å; Q13-L15 WeakPolarHBondContact O-CG 3.24Å; Q13-L15 PolarHBondContact O-N 3.27Å; L15-R24 HydrophobicContact CB-CB 3.98Å; L15-R24 PolarHBondContact O-NE 3.13Å; L15-R24 PolarHBondContact O-NH2 2.83Å; L15-F25 CarbonylContact C-O 3.6Å; L15-F25 WeakPolarHBondContact CA-O 3.37Å; L15-A26 HydrophobicContact CD2-CB 4.23Å | ||
| 16 | F | 90.6 | Very high | 78.8 | Confident | 77 Ų | 77 | 97.8 Ų | 97.8 | 34% | 0.338 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 137.7 | -179.6 | -61.4 | -83.6 | 0 | 0 | 0 | 112 | E14 R24 F25 A27 L30 | E14-F16 HydrophobicContact CB-CE2 3.89Å; E14-F16 HydrophobicContact CB-CZ 4.08Å; E14-F16 HydrophobicContact CG-CE1 4.14Å; E14-F16 HydrophobicContact CG-CE2 3.83Å; E14-F16 HydrophobicContact CG-CZ 3.61Å; E14-F16 WeakPolarHBondContact O-CD2 3.11Å; E14-F16 WeakPolarHBondContact O-CE2 3.37Å; E14-F16 WeakPolarHBondContact OE2-CZ 3.36Å; F16-R24 CarbonylContact O-C 3.39Å; F16-R24 VanDerWaalsContact O-CA 3.29Å; F16-R24 WeakPolarHBondContact O-CA 3.33Å; F16-F25 PolarHBondContact N-O 2.85Å; F16-F25 PolarHBondContact O-N 3.28Å; F16-A27 HydrophobicContact CD2-CB 4.48Å; F16-A27 HydrophobicContact CE2-CB 4.41Å; F16-L30 HydrophobicContact CB-CD2 3.53Å |
| 17 | P | 94.5 | Very high | 80.5 | Confident | 84 Ų | 84 | 96.1 Ų | 96.1 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 138 | 178.5 | 31.7 | -33.9 | 0 | 0 | 0 | 112.4 | E19 R24 | P17-E19 PolarHBondContact O-N 3.46Å; P17-R24 HydrophobicContact CB-CG 4.31Å |
| 18 | C | 93.7 | Very high | 82.3 | Confident | 6 Ų | 6 | 90.6 Ų | 90.6 | 4% | 0.041 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 118.4 | 169.9 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | V20 C21 G22 R23 F25 L30 H33 | C18-V20 PolarHBondContact O-N 3.03Å; C18-C21 PolarHBondContact O-N 3.16Å; C18-G22 WeakPolarHBondContact O-CA 3.44Å; C18-G22 PolarHBondContact O-N 3.26Å; C18-R23 PolarHBondContact N-O 3.09Å; C18-F25 HydrophobicContact CB-CD2 4.33Å; C18-F25 HydrophobicContact CB-CE2 4.08Å; C18-L30 HydrophobicContact CB-CD1 3.85Å; C18-H33 PolarHBondContact SG-CD2 3.33Å |
| 19 | E | 90.5 | Very high | 84.1 | Confident | 189 Ų | 189 | 86.8 Ų | 86.8 | 88% | 0.883 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.2 | -36.3 | 176 | -57.5 | 174.6 | 165.7 | 0 | 0 | 114.4 | P17 | P17-E19 PolarHBondContact O-N 3.46Š|
| 20 | V | 91.4 | Very high | 86 | Confident | 35 Ų | 35 | 84.5 Ų | 84.5 | 21% | 0.212 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -29.7 | -170.2 | 177.8 | 0 | 0 | 0 | 0 | 112.9 | C18 K38 F41 | C18-V20 PolarHBondContact O-N 3.03Å; V20-K38 HydrophobicContact CG2-CB 4.26Å; V20-K38 HydrophobicContact CG2-CG 4.45Å; V20-F41 HydrophobicContact CG1-CB 3.42Å; V20-F41 VanDerWaalsContact CG1-CB 3.42Å; V20-F41 HydrophobicContact CG1-CD1 3.77Å; V20-F41 HydrophobicContact CG1-CD2 4.14Å; V20-F41 HydrophobicContact CG1-CG 3.53Å; V20-F41 WeakPolarHBondContact O-CD2 3.44Å; V20-F41 VanDerWaalsContact O-CE2 3.23Å; V20-F41 WeakPolarHBondContact O-CE2 3.06Å; V20-F41 VanDerWaalsContact O-CZ 3.25Å; V20-F41 WeakPolarHBondContact O-CZ 3.45Å |
| 21 | C | 91.3 | Very high | 87.7 | Confident | 40 Ų | 40 | 86.8 Ų | 86.8 | 27% | 0.27 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134 | 3.2 | -175.8 | 79.6 | 0 | 0 | 0 | 0 | 116.3 | C18 R23 H33 F41 | C18-C21 PolarHBondContact O-N 3.16Å; C21-R23 PolarHBondContact O-N 3.23Å; C21-H33 PolarHBondContact SG-NE2 3.36Å; C21-H33 VanDerWaalsContact SG-NE2 3.38Å; C21-F41 HydrophobicContact CB-CD2 4.11Å; C21-F41 HydrophobicContact CB-CE2 4.17Å |
| 22 | G | 90.9 | Very high | 89.5 | Confident | 57 Ų | 57 | 90.5 Ų | 90.5 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | trans | 69.6 | -5.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | C18 | C18-G22 WeakPolarHBondContact O-CA 3.44Å; C18-G22 PolarHBondContact O-N 3.26Å | ||
| 23 | R | 93.1 | Very high | 91.1 | Very high | 174 Ų | 174 | 85.2 Ų | 85.2 | 66% | 0.657 | 43% | 0.428 | S | S | * | . | trans | -70.2 | 139 | 176.7 | -63.1 | 177.9 | -173 | -140.2 | -1.7 | 110.3 | C18 C21 F25 | C18-R23 PolarHBondContact N-O 3.09Å; C21-R23 PolarHBondContact O-N 3.23Å; R23-F25 HydrophobicContact CB-CD2 4.44Å; R23-F25 HydrophobicContact CB-CE2 3.49Å; R23-F25 VanDerWaalsContact CB-CE2 3.49Å; R23-F25 HydrophobicContact CB-CZ 3.6Å; R23-F25 WeakPolarHBondContact O-CD2 3.36Å; R23-F25 WeakPolarHBondContact O-CE2 3.27Å | ||
| 24 | R | 92.9 | Very high | 91.9 | Very high | 162 Ų | 162 | 81.9 Ų | 81.9 | 61% | 0.611 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 142.9 | 178.3 | -57.8 | 179.5 | 67.9 | -172.2 | 2.7 | 111.3 | L15 F16 P17 | L15-R24 HydrophobicContact CB-CB 3.98Å; L15-R24 PolarHBondContact O-NE 3.13Å; L15-R24 PolarHBondContact O-NH2 2.83Å; F16-R24 CarbonylContact O-C 3.39Å; F16-R24 VanDerWaalsContact O-CA 3.29Å; F16-R24 WeakPolarHBondContact O-CA 3.33Å; P17-R24 HydrophobicContact CB-CG 4.31Å |
| 25 | F | 92.9 | Very high | 92.4 | Very high | 41 Ų | 41 | 78.4 Ų | 78.4 | 18% | 0.18 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 152.7 | -177.9 | -58.1 | -80.9 | 0 | 0 | 0 | 110.7 | L15 F16 C18 R23 V29 L30 H33 | L15-F25 CarbonylContact C-O 3.6Å; L15-F25 WeakPolarHBondContact CA-O 3.37Å; F16-F25 PolarHBondContact N-O 2.85Å; F16-F25 PolarHBondContact O-N 3.28Å; C18-F25 HydrophobicContact CB-CD2 4.33Å; C18-F25 HydrophobicContact CB-CE2 4.08Å; R23-F25 HydrophobicContact CB-CD2 4.44Å; R23-F25 HydrophobicContact CB-CE2 3.49Å; R23-F25 VanDerWaalsContact CB-CE2 3.49Å; R23-F25 HydrophobicContact CB-CZ 3.6Å; R23-F25 WeakPolarHBondContact O-CD2 3.36Å; R23-F25 WeakPolarHBondContact O-CE2 3.27Å; F25-V29 HydrophobicContact CB-CB 4.13Å; F25-V29 HydrophobicContact CB-CG1 4.1Å; F25-V29 HydrophobicContact CD1-CG1 3.61Å; F25-V29 HydrophobicContact CE1-CG1 4.42Å; F25-V29 HydrophobicContact CG-CG1 4.16Å; F25-L30 HydrophobicContact CB-CB 4.1Å; F25-L30 HydrophobicContact CD2-CD1 4.16Å; F25-H33 HydrophobicContact CD2-CB 4.43Å; F25-H33 AromaticContact CD2-CD2 3.9Å; F25-H33 HydrophobicContact CE2-CB 4.33Å; F25-H33 AromaticContact CE2-CD2 3.27Å; F25-H33 WeakPolarHBondContact CE2-CD2 3.4Å; F25-H33 AromaticContact CE2-CE1 3.63Å; F25-H33 AromaticContact CE2-CG 3.54Å; F25-H33 AromaticContact CE2-ND1 3.75Å; F25-H33 AromaticContact CE2-NE2 3.35Å; F25-H33 VanDerWaalsContact CE2-NE2 3.35Å; F25-H33 WeakPolarHBondContact CE2-NE2 3.4Å; F25-H33 AromaticContact CZ-CD2 3.82Å; F25-H33 AromaticContact CZ-CE1 3.42Å; F25-H33 VanDerWaalsContact CZ-CE1 3.42Å; F25-H33 WeakPolarHBondContact CZ-CE1 3.46Å; F25-H33 AromaticContact CZ-CG 3.7Å; F25-H33 AromaticContact CZ-ND1 3.44Å; F25-H33 WeakPolarHBondContact CZ-ND1 3.38Å; F25-H33 AromaticContact CZ-NE2 3.66Å |
| 26 | A | 92.9 | Very high | 92.4 | Very high | 16 Ų | 16 | 79.7 Ų | 79.7 | 13% | 0.132 | 42% | 0.415 | C | S | . | . | trans | -64.5 | 156.6 | 165 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q13 L15 D28 V29 L30 | Q13-A26 HydrophobicContact CB-CB 4.36Å; L15-A26 HydrophobicContact CD2-CB 4.23Å; A26-D28 PolarHBondContact O-N 3.08Å; A26-V29 CarbonylContact O-C 3.59Å; A26-V29 WeakPolarHBondContact O-CA 3.39Å; A26-V29 PolarHBondContact O-N 3Å; A26-L30 PolarHBondContact O-N 3.04Å | ||
| 27 | A | 89.6 | Confident | 92.6 | Very high | 61 Ų | 61 | 76.6 Ų | 76.6 | 50% | 0.504 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -51.3 | -53.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F16 V29 L30 E31 | F16-A27 HydrophobicContact CD2-CB 4.48Å; F16-A27 HydrophobicContact CE2-CB 4.41Å; A27-V29 VanDerWaalsContact C-N 3.31Å; A27-V29 PolarHBondContact O-N 2.99Å; A27-L30 WeakPolarHBondContact O-CB 3.46Å; A27-L30 PolarHBondContact O-N 2.97Å; A27-L30 VanDerWaalsContact O-N 3.07Å; A27-E31 PolarHBondContact O-N 3.36Å |
| 28 | D | 91 | Very high | 92.4 | Very high | 82 Ų | 82 | 79.5 Ų | 79.5 | 44% | 0.439 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 176.7 | 170.4 | 44.7 | 0 | 0 | 0 | 112.6 | A26 L30 E31 R32 | A26-D28 PolarHBondContact O-N 3.08Å; D28-L30 VanDerWaalsContact C-N 3.34Å; D28-L30 PolarHBondContact O-N 2.95Å; D28-E31 PolarHBondContact O-N 3.4Å; D28-R32 WeakPolarHBondContact O-CG 3.01Å; D28-R32 PolarHBondContact O-N 2.94Å; D28-R32 IonicContact OD1-CZ 2.69Å; D28-R32 IonicContact OD1-NE 2.78Å; D28-R32 PolarHBondContact OD1-NE 3.11Å; D28-R32 IonicContact OD1-NH2 3.45Å; D28-R32 PolarHBondContact OD1-NH2 3.27Å; D28-R32 IonicContact OD2-CZ 3.33Å; D28-R32 IonicContact OD2-NE 3.6Å; D28-R32 IonicContact OD2-NH2 3.88Å; D28-R32 PolarHBondContact OD2-NH2 2.85Å |
| 29 | V | 92.9 | Very high | 92.3 | Very high | 70 Ų | 70 | 86 Ų | 86 | 42% | 0.424 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.7 | -34.6 | 177.5 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | F25 A26 A27 H33 | F25-V29 HydrophobicContact CB-CB 4.13Å; F25-V29 HydrophobicContact CB-CG1 4.1Å; F25-V29 HydrophobicContact CD1-CG1 3.61Å; F25-V29 HydrophobicContact CE1-CG1 4.42Å; F25-V29 HydrophobicContact CG-CG1 4.16Å; A26-V29 CarbonylContact O-C 3.59Å; A26-V29 WeakPolarHBondContact O-CA 3.39Å; A26-V29 PolarHBondContact O-N 3Å; A27-V29 VanDerWaalsContact C-N 3.31Å; A27-V29 PolarHBondContact O-N 2.99Å; V29-H33 WeakPolarHBondContact O-CB 3.45Å; V29-H33 PolarHBondContact O-N 3.24Å |
| 30 | L | 93.1 | Very high | 92.2 | Very high | 41 Ų | 41 | 82.2 Ų | 82.2 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 175.4 | -177.4 | 58 | 0 | 0 | 0 | 111.9 | F16 C18 F25 A26 A27 D28 R32 H33 G34 | F16-L30 HydrophobicContact CB-CD2 3.53Å; C18-L30 HydrophobicContact CB-CD1 3.85Å; F25-L30 HydrophobicContact CB-CB 4.1Å; F25-L30 HydrophobicContact CD2-CD1 4.16Å; A26-L30 PolarHBondContact O-N 3.04Å; A27-L30 WeakPolarHBondContact O-CB 3.46Å; A27-L30 PolarHBondContact O-N 2.97Å; A27-L30 VanDerWaalsContact O-N 3.07Å; D28-L30 VanDerWaalsContact C-N 3.34Å; D28-L30 PolarHBondContact O-N 2.95Å; L30-R32 VanDerWaalsContact C-N 3.33Å; L30-R32 PolarHBondContact O-N 3.45Å; L30-H33 PolarHBondContact O-N 3.48Å; L30-G34 PolarHBondContact O-N 2.8Å |
| 31 | E | 92.7 | Very high | 92 | Very high | 152 Ų | 152 | 86.6 Ų | 86.6 | 71% | 0.71 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.2 | -48.1 | 176.8 | -169 | -167.4 | 142.4 | 0 | 0 | 111 | A27 D28 P35 | A27-E31 PolarHBondContact O-N 3.36Å; D28-E31 PolarHBondContact O-N 3.4Å; E31-P35 WeakPolarHBondContact O-CD 3.25Å |
| 32 | R | 94.6 | Very high | 91.7 | Very high | 159 Ų | 159 | 90.8 Ų | 90.8 | 60% | 0.6 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -69.8 | -36.1 | 176.9 | -58.2 | 174.3 | -159 | -159.2 | 7.1 | 112.1 | D28 L30 I36 | D28-R32 WeakPolarHBondContact O-CG 3.01Å; D28-R32 PolarHBondContact O-N 2.94Å; D28-R32 IonicContact OD1-CZ 2.69Å; D28-R32 IonicContact OD1-NE 2.78Å; D28-R32 PolarHBondContact OD1-NE 3.11Å; D28-R32 IonicContact OD1-NH2 3.45Å; D28-R32 PolarHBondContact OD1-NH2 3.27Å; D28-R32 IonicContact OD2-CZ 3.33Å; D28-R32 IonicContact OD2-NE 3.6Å; D28-R32 IonicContact OD2-NH2 3.88Å; D28-R32 PolarHBondContact OD2-NH2 2.85Å; L30-R32 VanDerWaalsContact C-N 3.33Å; L30-R32 PolarHBondContact O-N 3.45Å; R32-I36 WeakPolarHBondContact O-CD1 3.49Å; R32-I36 WeakPolarHBondContact O-CG1 3.23Å |
| 33 | H | 94.9 | Very high | 91.4 | Very high | 40 Ų | 40 | 97.3 Ų | 97.3 | 19% | 0.185 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -72.3 | -45 | -177.5 | 178.3 | 81.7 | 0 | 0 | 0 | 113.2 | C18 C21 F25 V29 L30 I36 C37 | C18-H33 PolarHBondContact SG-CD2 3.33Å; C21-H33 PolarHBondContact SG-NE2 3.36Å; C21-H33 VanDerWaalsContact SG-NE2 3.38Å; F25-H33 HydrophobicContact CD2-CB 4.43Å; F25-H33 AromaticContact CD2-CD2 3.9Å; F25-H33 HydrophobicContact CE2-CB 4.33Å; F25-H33 AromaticContact CE2-CD2 3.27Å; F25-H33 WeakPolarHBondContact CE2-CD2 3.4Å; F25-H33 AromaticContact CE2-CE1 3.63Å; F25-H33 AromaticContact CE2-CG 3.54Å; F25-H33 AromaticContact CE2-ND1 3.75Å; F25-H33 AromaticContact CE2-NE2 3.35Å; F25-H33 VanDerWaalsContact CE2-NE2 3.35Å; F25-H33 WeakPolarHBondContact CE2-NE2 3.4Å; F25-H33 AromaticContact CZ-CD2 3.82Å; F25-H33 AromaticContact CZ-CE1 3.42Å; F25-H33 VanDerWaalsContact CZ-CE1 3.42Å; F25-H33 WeakPolarHBondContact CZ-CE1 3.46Å; F25-H33 AromaticContact CZ-CG 3.7Å; F25-H33 AromaticContact CZ-ND1 3.44Å; F25-H33 WeakPolarHBondContact CZ-ND1 3.38Å; F25-H33 AromaticContact CZ-NE2 3.66Å; V29-H33 WeakPolarHBondContact O-CB 3.45Å; V29-H33 PolarHBondContact O-N 3.24Å; L30-H33 PolarHBondContact O-N 3.48Å; H33-I36 PolarHBondContact O-N 3.17Å; H33-I36 VanDerWaalsContact O-N 3.12Å; H33-C37 WeakPolarHBondContact NE2-CB 3.35Å; H33-C37 PolarHBondContact NE2-SG 3.44Å; H33-C37 VanDerWaalsContact NE2-SG 3.45Å; H33-C37 VanDerWaalsContact O-CB 3.27Å; H33-C37 WeakPolarHBondContact O-CB 3.44Å; H33-C37 PolarHBondContact O-N 2.88Å |
| 34 | G | 91.9 | Very high | 91 | Very high | 24 Ų | 24 | 98.8 Ų | 98.8 | 25% | 0.247 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -46.4 | -57.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | L30 I36 C37 K38 | L30-G34 PolarHBondContact O-N 2.8Å; G34-I36 VanDerWaalsContact C-N 3.33Å; G34-I36 PolarHBondContact O-N 3.12Å; G34-C37 PolarHBondContact O-N 2.83Å; G34-K38 WeakPolarHBondContact O-CB 3.27Å; G34-K38 PolarHBondContact O-N 2.95Å |
| 35 | P | 93.3 | Very high | 90.5 | Very high | 66 Ų | 66 | 102.1 Ų | 102.1 | 43% | 0.429 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.2 | -29.5 | -178.8 | 26.8 | -34 | 0 | 0 | 0 | 112.9 | E31 K39 | E31-P35 WeakPolarHBondContact O-CD 3.25Å; P35-K39 WeakPolarHBondContact O-CB 3.38Å; P35-K39 VanDerWaalsContact O-CD 3.24Å; P35-K39 WeakPolarHBondContact O-CD 3.36Å; P35-K39 WeakPolarHBondContact O-CG 3.39Å; P35-K39 PolarHBondContact O-N 3.43Å |
| 36 | I | 92.7 | Very high | 90.1 | Very high | 98 Ų | 98 | 109.6 Ų | 109.6 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.3 | -45.8 | 175.6 | -61.4 | 174.7 | 0 | 0 | 0 | 110 | R32 H33 G34 K39 L40 | R32-I36 WeakPolarHBondContact O-CD1 3.49Å; R32-I36 WeakPolarHBondContact O-CG1 3.23Å; H33-I36 PolarHBondContact O-N 3.17Å; H33-I36 VanDerWaalsContact O-N 3.12Å; G34-I36 VanDerWaalsContact C-N 3.33Å; G34-I36 PolarHBondContact O-N 3.12Å; I36-K39 PolarHBondContact O-N 3.07Å; I36-L40 HydrophobicContact CG2-CD1 3.78Å; I36-L40 HydrophobicContact CG2-CG 4.39Å; I36-L40 WeakPolarHBondContact O-CB 3.39Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 2.99Å |
| 37 | C | 93.4 | Very high | 90 | Very high | 11 Ų | 11 | 115 Ų | 115 | 7% | 0.074 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -61.2 | -50.9 | 179.3 | -169.6 | 0 | 0 | 0 | 0 | 111.5 | H33 G34 K39 L40 F41 | H33-C37 WeakPolarHBondContact NE2-CB 3.35Å; H33-C37 PolarHBondContact NE2-SG 3.44Å; H33-C37 VanDerWaalsContact NE2-SG 3.45Å; H33-C37 VanDerWaalsContact O-CB 3.27Å; H33-C37 WeakPolarHBondContact O-CB 3.44Å; H33-C37 PolarHBondContact O-N 2.88Å; G34-C37 PolarHBondContact O-N 2.83Å; C37-K39 VanDerWaalsContact C-N 3.25Å; C37-K39 PolarHBondContact O-N 3.09Å; C37-L40 PolarHBondContact O-N 3.33Å; C37-F41 WeakPolarHBondContact O-CB 3.42Å; C37-F41 PolarHBondContact O-N 3.29Å |
| 38 | K | 91.4 | Very high | 89.9 | Confident | 146 Ų | 146 | 118.8 Ų | 118.8 | 64% | 0.635 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -58 | -35.6 | 176.1 | -165.1 | 167.2 | -173.8 | 166.4 | 0 | 112.5 | V20 G34 | V20-K38 HydrophobicContact CG2-CB 4.26Å; V20-K38 HydrophobicContact CG2-CG 4.45Å; G34-K38 WeakPolarHBondContact O-CB 3.27Å; G34-K38 PolarHBondContact O-N 2.95Å |
| 39 | K | 90.1 | Very high | 89.7 | Confident | 142 Ų | 142 | 119.3 Ų | 119.3 | 62% | 0.617 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.8 | -33.9 | 174.5 | -75.4 | 168.9 | -169.8 | 173.7 | 0 | 113.5 | P35 I36 C37 R43 | P35-K39 WeakPolarHBondContact O-CB 3.38Å; P35-K39 VanDerWaalsContact O-CD 3.24Å; P35-K39 WeakPolarHBondContact O-CD 3.36Å; P35-K39 WeakPolarHBondContact O-CG 3.39Å; P35-K39 PolarHBondContact O-N 3.43Å; I36-K39 PolarHBondContact O-N 3.07Å; C37-K39 VanDerWaalsContact C-N 3.25Å; C37-K39 PolarHBondContact O-N 3.09Å; K39-R43 WeakPolarHBondContact O-CG 3.32Å |
| 40 | L | 89.7 | Confident | 89.4 | Confident | 109 Ų | 109 | 118.5 Ų | 118.5 | 57% | 0.571 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -98 | -35.8 | -171.7 | -69.8 | -179.7 | 0 | 0 | 0 | 115 | I36 C37 N42 R43 | I36-L40 HydrophobicContact CG2-CD1 3.78Å; I36-L40 HydrophobicContact CG2-CG 4.39Å; I36-L40 WeakPolarHBondContact O-CB 3.39Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 2.99Å; C37-L40 PolarHBondContact O-N 3.33Å; L40-N42 VanDerWaalsContact C-N 3.32Å; L40-N42 PolarHBondContact O-N 2.86Å; L40-R43 WeakPolarHBondContact O-CB 3.5Å; L40-R43 PolarHBondContact O-N 3.28Å |
| 41 | F | 87.6 | Confident | 89 | Confident | 128 Ų | 128 | 121.6 Ų | 121.6 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -42.6 | -171.2 | -172.7 | -100.4 | 0 | 0 | 0 | 112.8 | V20 C21 C37 | V20-F41 HydrophobicContact CG1-CB 3.42Å; V20-F41 VanDerWaalsContact CG1-CB 3.42Å; V20-F41 HydrophobicContact CG1-CD1 3.77Å; V20-F41 HydrophobicContact CG1-CD2 4.14Å; V20-F41 HydrophobicContact CG1-CG 3.53Å; V20-F41 WeakPolarHBondContact O-CD2 3.44Å; V20-F41 VanDerWaalsContact O-CE2 3.23Å; V20-F41 WeakPolarHBondContact O-CE2 3.06Å; V20-F41 VanDerWaalsContact O-CZ 3.25Å; V20-F41 WeakPolarHBondContact O-CZ 3.45Å; C21-F41 HydrophobicContact CB-CD2 4.11Å; C21-F41 HydrophobicContact CB-CE2 4.17Å; C37-F41 WeakPolarHBondContact O-CB 3.42Å; C37-F41 PolarHBondContact O-N 3.29Å |
| 42 | N | 84.1 | Confident | 88.5 | Confident | 128 Ų | 128 | 120.4 Ų | 120.4 | 68% | 0.684 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -5.3 | 178.3 | -64.9 | -37.6 | 0 | 0 | 0 | 113.8 | L40 K44 | L40-N42 VanDerWaalsContact C-N 3.32Å; L40-N42 PolarHBondContact O-N 2.86Å; N42-K44 PolarHBondContact O-N 3.42Å |
| 43 | R | 85.4 | Confident | 88.1 | Confident | 194 Ų | 194 | 118.1 Ų | 118.1 | 73% | 0.732 | 56% | 0.562 | S | S | * | * | trans | -88 | 90.2 | -179.5 | -65.6 | -79.4 | -176 | 153.6 | -0.3 | 110.6 | K39 L40 R45 | K39-R43 WeakPolarHBondContact O-CG 3.32Å; L40-R43 WeakPolarHBondContact O-CB 3.5Å; L40-R43 PolarHBondContact O-N 3.28Å; R43-R45 PolarHBondContact O-N 3.19Å | ||
| 44 | K | 83.2 | Confident | 87.5 | Confident | 204 Ų | 204 | 123.9 Ų | 123.9 | 89% | 0.887 | 58% | 0.583 | S | S | * | * | trans | -55.5 | 110.7 | 164.9 | -65 | -177.6 | -178.1 | 178.4 | 0 | 109.1 | N42 K46 | N42-K44 PolarHBondContact O-N 3.42Å; K44-K46 PolarHBondContact O-N 3.47Å | ||
| 45 | R | 83.6 | Confident | 87 | Confident | 233 Ų | 233 | 127.6 Ų | 127.6 | 88% | 0.879 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 132.7 | 177.7 | -68 | -177.9 | 179.7 | 179.4 | -0.8 | 108.9 | R43 | R43-R45 PolarHBondContact O-N 3.19Š|
| 46 | K | 84.9 | Confident | 86.1 | Confident | 198 Ų | 198 | 131.3 Ų | 131.3 | 86% | 0.861 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 131.2 | 175.6 | -67.2 | -179 | 179 | 179.1 | 0 | 108.8 | K44 F48 | K44-K46 PolarHBondContact O-N 3.47Å; K46-F48 PolarHBondContact O-N 3.24Å |
| 47 | P | 90.4 | Very high | 84.8 | Confident | 128 Ų | 128 | 131.5 Ų | 131.5 | 83% | 0.831 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 132.3 | 176.6 | -28.2 | 35.8 | 0 | 0 | 0 | 111.4 | N49 | P47-N49 PolarHBondContact O-N 3.03Š|
| 48 | F | 87.3 | Confident | 83.5 | Confident | 141 Ų | 141 | 134 Ų | 134 | 62% | 0.618 | 63% | 0.631 | S | S | * | * | trans | -72.5 | 115.5 | -174.2 | 176.3 | -113.1 | 0 | 0 | 0 | 111.4 | K46 S50 Q53 | K46-F48 PolarHBondContact O-N 3.24Å; F48-S50 PolarHBondContact O-N 2.82Å; F48-Q53 HydrophobicContact CE2-CB 3.82Å; F48-Q53 HydrophobicContact CE2-CG 4.47Å; F48-Q53 HydrophobicContact CZ-CB 3.69Å; F48-Q53 HydrophobicContact CZ-CG 4.29Å | ||
| 49 | N | 87.4 | Confident | 82 | Confident | 93 Ų | 93 | 135.2 Ų | 135.2 | 50% | 0.497 | 65% | 0.645 | S | S | . | * | trans | -94.8 | 98.1 | 179 | -170.6 | -43.5 | 0 | 0 | 0 | 110.5 | P47 L51 K52 Q53 | P47-N49 PolarHBondContact O-N 3.03Å; N49-L51 PolarHBondContact O-N 2.82Å; N49-L51 WeakPolarHBondContact OD1-CB 3.42Å; N49-L51 PolarHBondContact OD1-N 3.21Å; N49-L51 VanDerWaalsContact OD1-N 3.11Å; N49-K52 HydrophobicContact CB-CB 4.05Å; N49-K52 PolarHBondContact O-N 2.85Å; N49-K52 VanDerWaalsContact O-N 3.09Å; N49-K52 PolarHBondContact OD1-N 3.43Å; N49-Q53 PolarHBondContact O-N 2.98Å; N49-Q53 VanDerWaalsContact O-N 3.07Å | ||
| 50 | S | 86.4 | Confident | 80.7 | Confident | 53 Ų | 53 | 133.4 Ų | 133.4 | 37% | 0.371 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.9 | -16.3 | -178.1 | 72.4 | 0 | 0 | 0 | 0 | 114.5 | F48 R54 | F48-S50 PolarHBondContact O-N 2.82Å; S50-R54 WeakPolarHBondContact O-CG 3.29Å; S50-R54 PolarHBondContact O-N 3.38Å; S50-R54 PolarHBondContact O-NE 3.49Å; S50-R54 PolarHBondContact OG-NH2 2.88Å |
| 51 | L | 84.3 | Confident | 79.2 | Confident | 106 Ų | 106 | 133.8 Ų | 133.8 | 56% | 0.555 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.6 | -45.3 | 168.4 | 177.4 | 64.6 | 0 | 0 | 0 | 109.8 | N49 R54 L55 | N49-L51 PolarHBondContact O-N 2.82Å; N49-L51 WeakPolarHBondContact OD1-CB 3.42Å; N49-L51 PolarHBondContact OD1-N 3.21Å; N49-L51 VanDerWaalsContact OD1-N 3.11Å; L51-R54 PolarHBondContact O-N 3.5Å; L51-L55 HydrophobicContact CD1-CD1 4.05Å; L51-L55 HydrophobicContact CD1-CG 4.28Å; L51-L55 HydrophobicContact CG-CD1 3.97Å; L51-L55 WeakPolarHBondContact O-CG 3.26Å; L51-L55 PolarHBondContact O-N 3.07Å |
| 52 | K | 82.4 | Confident | 77.8 | Confident | 127 Ų | 127 | 133.7 Ų | 133.7 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.2 | -45.4 | 178 | -174.2 | 172.1 | 176.9 | 175.2 | 0 | 112.1 | N49 R54 L55 Q56 | N49-K52 HydrophobicContact CB-CB 4.05Å; N49-K52 PolarHBondContact O-N 2.85Å; N49-K52 VanDerWaalsContact O-N 3.09Å; N49-K52 PolarHBondContact OD1-N 3.43Å; K52-R54 PolarHBondContact O-N 3.36Å; K52-L55 PolarHBondContact O-N 3.33Å; K52-Q56 HydrophobicContact CG-CG 4.45Å; K52-Q56 WeakPolarHBondContact O-CG 3.4Å; K52-Q56 PolarHBondContact O-N 3.03Å |
| 53 | Q | 85.1 | Confident | 76.6 | Confident | 111 Ų | 111 | 132.9 Ų | 132.9 | 52% | 0.519 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -63 | -41.5 | 177.6 | -178.5 | 170.1 | -42 | 0 | 0 | 111.8 | F48 N49 L55 Q56 C57 | F48-Q53 HydrophobicContact CE2-CB 3.82Å; F48-Q53 HydrophobicContact CE2-CG 4.47Å; F48-Q53 HydrophobicContact CZ-CB 3.69Å; F48-Q53 HydrophobicContact CZ-CG 4.29Å; N49-Q53 PolarHBondContact O-N 2.98Å; N49-Q53 VanDerWaalsContact O-N 3.07Å; Q53-L55 PolarHBondContact O-N 2.7Å; Q53-Q56 PolarHBondContact O-N 3.08Å; Q53-Q56 VanDerWaalsContact O-N 3.13Å; Q53-C57 PolarHBondContact O-N 2.9Å |
| 54 | R | 82.6 | Confident | 75.2 | Confident | 162 Ų | 162 | 132.8 Ų | 132.8 | 61% | 0.611 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -59.2 | -47 | 175.9 | -82.7 | 178.9 | -86.1 | -157.1 | -3.1 | 111.7 | S50 L51 K52 Q56 C57 T58 | S50-R54 WeakPolarHBondContact O-CG 3.29Å; S50-R54 PolarHBondContact O-N 3.38Å; S50-R54 PolarHBondContact O-NE 3.49Å; S50-R54 PolarHBondContact OG-NH2 2.88Å; L51-R54 PolarHBondContact O-N 3.5Å; K52-R54 PolarHBondContact O-N 3.36Å; R54-Q56 PolarHBondContact O-N 2.78Å; R54-C57 PolarHBondContact O-N 2.82Å; R54-C57 VanDerWaalsContact O-N 3.16Å; R54-T58 PolarHBondContact O-OG1 2.78Å |
| 55 | L | 81.3 | Confident | 73.9 | Confident | 102 Ų | 102 | 132.4 Ų | 132.4 | 53% | 0.534 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -66.4 | -17.9 | 176.7 | -68 | 172.2 | 0 | 0 | 0 | 114.4 | L51 K52 Q53 | L51-L55 HydrophobicContact CD1-CD1 4.05Å; L51-L55 HydrophobicContact CD1-CG 4.28Å; L51-L55 HydrophobicContact CG-CD1 3.97Å; L51-L55 WeakPolarHBondContact O-CG 3.26Å; L51-L55 PolarHBondContact O-N 3.07Å; K52-L55 PolarHBondContact O-N 3.33Å; Q53-L55 PolarHBondContact O-N 2.7Å |
| 56 | Q | 74.1 | Confident | 72.6 | Confident | 143 Ų | 143 | 127 Ų | 127 | 67% | 0.668 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -93.2 | -5.6 | 174.6 | -72.4 | -162.4 | -101.7 | 0 | 0 | 114.2 | K52 Q53 R54 | K52-Q56 HydrophobicContact CG-CG 4.45Å; K52-Q56 WeakPolarHBondContact O-CG 3.4Å; K52-Q56 PolarHBondContact O-N 3.03Å; Q53-Q56 PolarHBondContact O-N 3.08Å; Q53-Q56 VanDerWaalsContact O-N 3.13Å; R54-Q56 PolarHBondContact O-N 2.78Å |
| 57 | C | 65.5 | Low | 71.2 | Confident | 102 Ų | 102 | 123 Ų | 123 | 69% | 0.689 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -112.3 | 14.5 | 175.4 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | Q53 R54 | Q53-C57 PolarHBondContact O-N 2.9Å; R54-C57 PolarHBondContact O-N 2.82Å; R54-C57 VanDerWaalsContact O-N 3.16Å |
| 58 | T | 66.4 | Low | 69.6 | Low | 63 Ų | 63 | 126 Ų | 126 | 39% | 0.387 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -142.3 | 119.2 | 178.5 | 59.1 | 0 | 0 | 0 | 0 | 110.2 | R54 I60 | R54-T58 PolarHBondContact O-OG1 2.78Å; T58-I60 PolarHBondContact O-N 3.2Å |
| 59 | D | 61.1 | Low | 68.3 | Low | 173 Ų | 173 | 124.5 Ų | 124.5 | 93% | 0.925 | 66% | 0.66 | S | S | * | * | trans | -73.9 | 56.6 | 171.3 | -78.5 | -71 | 0 | 0 | 0 | 112.3 | ||||
| 60 | I | 62.4 | Low | 67 | Low | 104 Ų | 104 | 129.7 Ų | 129.7 | 53% | 0.533 | 68% | 0.678 | S | S | . | * | trans | -104.9 | 107.9 | 174.7 | -61.9 | 174.6 | 0 | 0 | 0 | 107.2 | T58 T62 V63 | T58-I60 PolarHBondContact O-N 3.2Å; I60-T62 PolarHBondContact O-N 2.95Å; I60-V63 HydrophobicContact CG2-CG2 3.99Å | ||
| 61 | P | 57.5 | Low | 65.7 | Low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 70% | 0.695 | S | S | * | * | trans | -54.6 | 130.3 | 178.4 | -26.7 | 35.1 | 0 | 0 | 0 | 111.2 | V63 | P61-V63 PolarHBondContact O-N 3.41Š| ||
| 62 | T | 59.3 | Low | 64.9 | Low | 125 Ų | 125 | 132.1 Ų | 132.1 | 77% | 0.767 | 70% | 0.702 | S | S | * | * | trans | -25.9 | 96.6 | -174.8 | -58.2 | 0 | 0 | 0 | 0 | 113.6 | I60 K64 | I60-T62 PolarHBondContact O-N 2.95Å; T62-K64 PolarHBondContact O-N 2.95Å | ||
| 63 | V | 57.6 | Low | 64.2 | Low | 112 Ų | 112 | 131.6 Ų | 131.6 | 68% | 0.679 | 71% | 0.711 | S | S | * | * | trans | -56.9 | 117.6 | 170.8 | 178.3 | 0 | 0 | 0 | 0 | 106.8 | I60 P61 K65 | I60-V63 HydrophobicContact CG2-CG2 3.99Å; P61-V63 PolarHBondContact O-N 3.41Å; V63-K65 PolarHBondContact O-N 2.89Å; V63-K65 VanDerWaalsContact O-N 3.09Å | ||
| 64 | K | 55.8 | Low | 63.2 | Low | 191 Ų | 191 | 132.9 Ų | 132.9 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | -50.5 | 121.3 | -176.5 | -66 | 178.6 | -178.2 | 177.6 | 0 | 108 | T62 T66 | T62-K64 PolarHBondContact O-N 2.95Å; K64-T66 PolarHBondContact O-N 2.64Å | ||
| 65 | K | 55.9 | Low | 62.5 | Low | 196 Ų | 196 | 133 Ų | 133 | 85% | 0.852 | 73% | 0.727 | S | S | * | * | trans | -60.4 | 102.9 | 176 | -69.7 | 176.5 | -177.6 | 171.2 | 0 | 107.6 | V63 | V63-K65 PolarHBondContact O-N 2.89Å; V63-K65 VanDerWaalsContact O-N 3.09Å | ||
| 66 | T | 56.8 | Low | 62 | Low | 121 Ų | 121 | 137.4 Ų | 137.4 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | -48.4 | 125.5 | 164.7 | -54.5 | 0 | 0 | 0 | 0 | 106.8 | K64 Q68 | K64-T66 PolarHBondContact O-N 2.64Å; T66-Q68 PolarHBondContact O-N 2.81Å | ||
| 67 | P | 55.1 | Low | 61.9 | Low | 114 Ų | 114 | 134.9 Ų | 134.9 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | trans | -55.4 | 129.4 | 179.4 | 23.3 | -33.1 | 0 | 0 | 0 | 107.6 | S69 | P67-S69 PolarHBondContact O-N 2.79Š| ||
| 68 | Q | 57.3 | Low | 62.6 | Low | 191 Ų | 191 | 132.3 Ų | 132.3 | 89% | 0.893 | 72% | 0.719 | S | S | * | * | trans | -57 | 115.6 | 179.4 | -74.6 | -176.1 | -14.2 | 0 | 0 | 107.7 | T66 K70 | T66-Q68 PolarHBondContact O-N 2.81Å; Q68-K70 PolarHBondContact O-N 2.84Å | ||
| 69 | S | 61.1 | Low | 63.4 | Low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | trans | -53.6 | 131.5 | 169.1 | 43.4 | 0 | 0 | 0 | 0 | 107.2 | P67 S71 | P67-S69 PolarHBondContact O-N 2.79Å; S69-S71 PolarHBondContact O-N 3.35Å; S69-S71 VanDerWaalsContact O-N 3.08Å | ||
| 70 | K | 59 | Low | 64.6 | Low | 202 Ų | 202 | 134.9 Ų | 134.9 | 88% | 0.878 | 71% | 0.709 | S | S | * | * | trans | -42.7 | 121.1 | -173.5 | -63.5 | 176.8 | -177.6 | 177.5 | 0 | 108.5 | Q68 P72 | Q68-K70 PolarHBondContact O-N 2.84Å; K70-P72 VanDerWaalsContact O-N 3.14Å | ||
| 71 | S | 59.9 | Low | 65.6 | Low | 102 Ų | 102 | 133.6 Ų | 133.6 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 125 | -176.6 | 50.9 | 0 | 0 | 0 | 0 | 108.6 | S69 | S69-S71 PolarHBondContact O-N 3.35Å; S69-S71 VanDerWaalsContact O-N 3.08Å |
| 72 | P | 66.3 | Low | 66.8 | Low | 108 Ų | 108 | 132.4 Ų | 132.4 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 142.8 | -177.3 | 22.5 | -33.1 | 0 | 0 | 0 | 109.1 | K70 V74 | K70-P72 VanDerWaalsContact O-N 3.14Å; P72-V74 PolarHBondContact O-N 2.8Å |
| 73 | P | 69 | Low | 68.3 | Low | 116 Ų | 116 | 131 Ų | 131 | 75% | 0.753 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 131.6 | -173.9 | 22.5 | -33.8 | 0 | 0 | 0 | 109.3 | R75 | P73-R75 PolarHBondContact O-N 2.76Š|
| 74 | V | 63.6 | Low | 69.9 | Low | 137 Ų | 137 | 130.8 Ų | 130.8 | 83% | 0.83 | 66% | 0.661 | S | S | * | * | trans | -57.5 | 100.4 | -172.1 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | P72 K76 | P72-V74 PolarHBondContact O-N 2.8Å; V74-K76 PolarHBondContact O-N 3.28Å; V74-K76 VanDerWaalsContact O-N 3.08Å | ||
| 75 | R | 67.4 | Low | 71.4 | Confident | 164 Ų | 164 | 123.7 Ų | 123.7 | 62% | 0.619 | 63% | 0.632 | S | S | * | * | trans | -61 | 118.9 | -176.3 | -70.9 | -161.2 | -65.4 | -156.5 | -0.9 | 107.7 | P73 S77 E130 | P73-R75 PolarHBondContact O-N 2.76Å; R75-S77 PolarHBondContact O-N 2.89Å; R75-E130 WeakPolarHBondContact CD-OE2 3.24Å; R75-E130 IonicContact CZ-OE2 3.28Å; R75-E130 IonicContact NE-OE2 2.75Å; R75-E130 IonicContact NH1-OE2 3.28Å; R75-E130 PolarHBondContact NH1-OE2 2.78Å | ||
| 76 | K | 70.9 | Confident | 73 | Confident | 195 Ų | 195 | 120.6 Ų | 120.6 | 85% | 0.848 | 62% | 0.619 | S | S | * | * | trans | -62 | 104.3 | -174.5 | -59.4 | 175.7 | -173.8 | 176 | 0 | 107.5 | V74 N78 | V74-K76 PolarHBondContact O-N 3.28Å; V74-K76 VanDerWaalsContact O-N 3.08Å; K76-N78 PolarHBondContact O-N 3.34Å | ||
| 77 | S | 72.4 | Confident | 74.7 | Confident | 91 Ų | 91 | 117.3 Ų | 117.3 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | trans | -62.1 | 107.6 | -174.4 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | R75 W79 | R75-S77 PolarHBondContact O-N 2.89Å; S77-W79 PolarHBondContact O-N 3.45Å | ||
| 78 | N | 79.9 | Confident | 76.4 | Confident | 48 Ų | 48 | 115.5 Ų | 115.5 | 26% | 0.257 | 58% | 0.58 | S | S | . | * | trans | -80.9 | 42 | -175 | -161 | 4.9 | 0 | 0 | 0 | 112.2 | K76 R80 Q81 Q82 | K76-N78 PolarHBondContact O-N 3.34Å; N78-R80 VanDerWaalsContact C-N 3.26Å; N78-R80 PolarHBondContact O-N 3.1Å; N78-Q81 PolarHBondContact ND2-OE1 3.34Å; N78-Q81 PolarHBondContact O-N 3.05Å; N78-Q81 VanDerWaalsContact OD1-CB 3.25Å; N78-Q81 WeakPolarHBondContact OD1-CB 3.38Å; N78-Q82 WeakPolarHBondContact O-CG 3.19Å; N78-Q82 PolarHBondContact O-N 3.18Å | ||
| 79 | W | 82.6 | Confident | 77.9 | Confident | 135 Ų | 135 | 110 Ų | 110 | 51% | 0.511 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.4 | -29.8 | -171.2 | 75.6 | -93.9 | 0 | 0 | 0 | 112.6 | S77 H83 | S77-W79 PolarHBondContact O-N 3.45Å; W79-H83 HydrophobicContact CE3-CB 4.41Å; W79-H83 WeakPolarHBondContact O-CB 3.12Å; W79-H83 PolarHBondContact O-N 3.43Å |
| 80 | R | 87.3 | Confident | 79.4 | Confident | 155 Ų | 155 | 108.3 Ų | 108.3 | 59% | 0.585 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.9 | -52 | 177.7 | -67.3 | -173.6 | 179.3 | -83.4 | 3.3 | 110.8 | N78 Q82 H83 E84 | N78-R80 VanDerWaalsContact C-N 3.26Å; N78-R80 PolarHBondContact O-N 3.1Å; R80-Q82 PolarHBondContact O-N 3.5Å; R80-H83 PolarHBondContact O-N 2.69Å; R80-E84 WeakPolarHBondContact O-CB 3.37Å; R80-E84 WeakPolarHBondContact O-CG 3.26Å; R80-E84 PolarHBondContact O-N 3.28Å |
| 81 | Q | 83.5 | Confident | 80.9 | Confident | 77 Ų | 77 | 105.9 Ų | 105.9 | 36% | 0.36 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 176.9 | -169.5 | 174.4 | 3 | 0 | 0 | 111.4 | N78 H83 E84 D85 | N78-Q81 PolarHBondContact ND2-OE1 3.34Å; N78-Q81 PolarHBondContact O-N 3.05Å; N78-Q81 VanDerWaalsContact OD1-CB 3.25Å; N78-Q81 WeakPolarHBondContact OD1-CB 3.38Å; Q81-H83 VanDerWaalsContact C-N 3.29Å; Q81-H83 PolarHBondContact O-N 3.12Å; Q81-E84 PolarHBondContact O-N 3.42Å; Q81-D85 VanDerWaalsContact O-CB 3.32Å; Q81-D85 WeakPolarHBondContact O-CB 3.37Å; Q81-D85 PolarHBondContact O-N 3.31Å |
| 82 | Q | 83.4 | Confident | 82.3 | Confident | 91 Ų | 91 | 102.5 Ų | 102.5 | 43% | 0.425 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -36.1 | 176 | -69.6 | 171.4 | -1 | 0 | 0 | 112.7 | N78 R80 F86 | N78-Q82 WeakPolarHBondContact O-CG 3.19Å; N78-Q82 PolarHBondContact O-N 3.18Å; R80-Q82 PolarHBondContact O-N 3.5Å; Q82-F86 VanDerWaalsContact O-CB 3.27Å; Q82-F86 WeakPolarHBondContact O-CB 3.47Å; Q82-F86 PolarHBondContact O-N 3.25Å; Q82-F86 VanDerWaalsContact O-N 3.12Å |
| 83 | H | 90.5 | Very high | 83.4 | Confident | 96 Ų | 96 | 99.9 Ų | 99.9 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.9 | -41 | 176.2 | 179.8 | 69.6 | 0 | 0 | 0 | 112.3 | W79 R80 Q81 F86 I87 | W79-H83 HydrophobicContact CE3-CB 4.41Å; W79-H83 WeakPolarHBondContact O-CB 3.12Å; W79-H83 PolarHBondContact O-N 3.43Å; R80-H83 PolarHBondContact O-N 2.69Å; Q81-H83 VanDerWaalsContact C-N 3.29Å; Q81-H83 PolarHBondContact O-N 3.12Å; H83-F86 PolarHBondContact O-N 3.22Å; H83-I87 WeakPolarHBondContact NE2-CD1 3.25Å; H83-I87 WeakPolarHBondContact O-CB 3.35Å; H83-I87 WeakPolarHBondContact O-CG1 3.46Å; H83-I87 PolarHBondContact O-N 2.8Å |
| 84 | E | 90.6 | Very high | 84.4 | Confident | 108 Ų | 108 | 101 Ų | 101 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.8 | -45 | 176.1 | -73.6 | 163.7 | -159.5 | 0 | 0 | 111.5 | R80 Q81 F86 I87 N88 | R80-E84 WeakPolarHBondContact O-CB 3.37Å; R80-E84 WeakPolarHBondContact O-CG 3.26Å; R80-E84 PolarHBondContact O-N 3.28Å; Q81-E84 PolarHBondContact O-N 3.42Å; E84-F86 VanDerWaalsContact C-N 3.33Å; E84-F86 PolarHBondContact O-N 3.36Å; E84-I87 PolarHBondContact O-N 3.07Å; E84-N88 VanDerWaalsContact O-CB 3.28Å; E84-N88 WeakPolarHBondContact O-CB 3.36Å; E84-N88 PolarHBondContact O-N 3.28Å; E84-N88 PolarHBondContact O-ND2 3.49Å |
| 85 | D | 87.4 | Confident | 85.5 | Confident | 42 Ų | 42 | 99.9 Ų | 99.9 | 23% | 0.225 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 173 | -79.3 | -11.1 | 0 | 0 | 0 | 111.7 | Q81 N88 T89 | Q81-D85 VanDerWaalsContact O-CB 3.32Å; Q81-D85 WeakPolarHBondContact O-CB 3.37Å; Q81-D85 PolarHBondContact O-N 3.31Å; D85-N88 PolarHBondContact O-N 2.75Å; D85-T89 WeakPolarHBondContact O-CB 3.24Å; D85-T89 PolarHBondContact O-N 2.76Å; D85-T89 PolarHBondContact O-OG1 2.84Å |
| 86 | F | 88.9 | Confident | 86.4 | Confident | 131 Ų | 131 | 93.8 Ų | 93.8 | 58% | 0.575 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.1 | -47.2 | 176.1 | 175.4 | -104.2 | 0 | 0 | 0 | 112.2 | Q82 H83 E84 N88 T89 I90 | Q82-F86 VanDerWaalsContact O-CB 3.27Å; Q82-F86 WeakPolarHBondContact O-CB 3.47Å; Q82-F86 PolarHBondContact O-N 3.25Å; Q82-F86 VanDerWaalsContact O-N 3.12Å; H83-F86 PolarHBondContact O-N 3.22Å; E84-F86 VanDerWaalsContact C-N 3.33Å; E84-F86 PolarHBondContact O-N 3.36Å; F86-N88 VanDerWaalsContact C-N 3.34Å; F86-N88 PolarHBondContact O-N 3.35Å; F86-T89 PolarHBondContact O-N 2.88Å; F86-I90 HydrophobicContact CD1-CD1 4.14Å; F86-I90 HydrophobicContact CE1-CD1 3.56Å; F86-I90 HydrophobicContact CE2-CD1 4.02Å; F86-I90 HydrophobicContact CZ-CD1 3.51Å; F86-I90 PolarHBondContact O-N 3.35Å |
| 87 | I | 92.9 | Very high | 87.1 | Confident | 52 Ų | 52 | 89 Ų | 89 | 27% | 0.267 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 175.6 | -75.1 | 174.7 | 0 | 0 | 0 | 110.9 | H83 E84 I90 R91 | H83-I87 WeakPolarHBondContact NE2-CD1 3.25Å; H83-I87 WeakPolarHBondContact O-CB 3.35Å; H83-I87 WeakPolarHBondContact O-CG1 3.46Å; H83-I87 PolarHBondContact O-N 2.8Å; E84-I87 PolarHBondContact O-N 3.07Å; I87-I90 PolarHBondContact O-N 3.45Å; I87-R91 HydrophobicContact CG2-CG 4.41Å; I87-R91 WeakPolarHBondContact O-CG 3.16Å; I87-R91 PolarHBondContact O-N 3.23Å |
| 88 | N | 90.7 | Very high | 87.8 | Confident | 75 Ų | 75 | 88.2 Ų | 88.2 | 40% | 0.401 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 178.2 | -73.2 | -26.8 | 0 | 0 | 0 | 111.5 | E84 D85 F86 I90 R91 S92 | E84-N88 VanDerWaalsContact O-CB 3.28Å; E84-N88 WeakPolarHBondContact O-CB 3.36Å; E84-N88 PolarHBondContact O-N 3.28Å; E84-N88 PolarHBondContact O-ND2 3.49Å; D85-N88 PolarHBondContact O-N 2.75Å; F86-N88 VanDerWaalsContact C-N 3.34Å; F86-N88 PolarHBondContact O-N 3.35Å; N88-I90 VanDerWaalsContact C-N 3.33Å; N88-I90 PolarHBondContact O-N 3.28Å; N88-R91 WeakPolarHBondContact O-CB 3.08Å; N88-R91 PolarHBondContact O-N 2.75Å; N88-R91 PolarHBondContact OD1-NH1 3.41Å; N88-S92 PolarHBondContact O-N 3.32Å; N88-S92 PolarHBondContact O-OG 2.99Å; N88-S92 VanDerWaalsContact O-OG 3.12Å |
| 89 | T | 88.6 | Confident | 88.1 | Confident | 77 Ų | 77 | 86.4 Ų | 86.4 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 174.2 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | D85 F86 S92 A93 | D85-T89 WeakPolarHBondContact O-CB 3.24Å; D85-T89 PolarHBondContact O-N 2.76Å; D85-T89 PolarHBondContact O-OG1 2.84Å; F86-T89 PolarHBondContact O-N 2.88Å; T89-S92 WeakPolarHBondContact CA-OG 3.42Å; T89-S92 PolarHBondContact O-OG 2.89Å; T89-A93 WeakPolarHBondContact O-CB 3.15Å; T89-A93 PolarHBondContact O-N 2.83Å |
| 90 | I | 92.1 | Very high | 88.3 | Confident | 73 Ų | 73 | 85.6 Ų | 85.6 | 37% | 0.374 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 175.4 | -70.5 | 175.2 | 0 | 0 | 0 | 111.5 | F86 I87 N88 K94 | F86-I90 HydrophobicContact CD1-CD1 4.14Å; F86-I90 HydrophobicContact CE1-CD1 3.56Å; F86-I90 HydrophobicContact CE2-CD1 4.02Å; F86-I90 HydrophobicContact CZ-CD1 3.51Å; F86-I90 PolarHBondContact O-N 3.35Å; I87-I90 PolarHBondContact O-N 3.45Å; N88-I90 VanDerWaalsContact C-N 3.33Å; N88-I90 PolarHBondContact O-N 3.28Å; I90-K94 HydrophobicContact CG2-CD 4.44Å; I90-K94 WeakPolarHBondContact O-CG 3.14Å; I90-K94 PolarHBondContact O-N 3.48Å; I90-K94 VanDerWaalsContact O-N 3.12Å |
| 91 | R | 92.1 | Very high | 88.2 | Confident | 150 Ų | 150 | 86.8 Ų | 86.8 | 57% | 0.566 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.8 | -50.6 | 175.5 | -71.9 | 170 | -179.5 | 156.1 | -4.7 | 110.8 | I87 N88 A93 K94 Q95 | I87-R91 HydrophobicContact CG2-CG 4.41Å; I87-R91 WeakPolarHBondContact O-CG 3.16Å; I87-R91 PolarHBondContact O-N 3.23Å; N88-R91 WeakPolarHBondContact O-CB 3.08Å; N88-R91 PolarHBondContact O-N 2.75Å; N88-R91 PolarHBondContact OD1-NH1 3.41Å; R91-A93 PolarHBondContact O-N 3.05Å; R91-K94 PolarHBondContact O-N 2.78Å; R91-Q95 WeakPolarHBondContact O-CG 3.1Å; R91-Q95 PolarHBondContact O-N 2.78Å |
| 92 | S | 89.1 | Confident | 88.4 | Confident | 31 Ų | 31 | 89.4 Ų | 89.4 | 22% | 0.217 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 179.8 | 54.8 | 0 | 0 | 0 | 0 | 112 | N88 T89 K94 Q95 C96 | N88-S92 PolarHBondContact O-N 3.32Å; N88-S92 PolarHBondContact O-OG 2.99Å; N88-S92 VanDerWaalsContact O-OG 3.12Å; T89-S92 WeakPolarHBondContact CA-OG 3.42Å; T89-S92 PolarHBondContact O-OG 2.89Å; S92-K94 VanDerWaalsContact C-N 3.33Å; S92-K94 PolarHBondContact O-N 3.42Å; S92-Q95 PolarHBondContact O-N 2.82Å; S92-Q95 VanDerWaalsContact O-N 3.16Å; S92-C96 PolarHBondContact O-N 3.45Å; S92-C96 PolarHBondContact O-SG 3.05Å |
| 93 | A | 88.1 | Confident | 88.2 | Confident | 54 Ų | 54 | 88.4 Ų | 88.4 | 45% | 0.446 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | T89 R91 C96 T97 | T89-A93 WeakPolarHBondContact O-CB 3.15Å; T89-A93 PolarHBondContact O-N 2.83Å; R91-A93 PolarHBondContact O-N 3.05Å; A93-C96 PolarHBondContact O-N 2.84Å; A93-T97 PolarHBondContact O-N 2.82Å; A93-T97 VanDerWaalsContact O-N 3.09Å; A93-T97 PolarHBondContact O-OG1 3.09Å; A93-T97 VanDerWaalsContact O-OG1 3.1Å |
| 94 | K | 89.9 | Confident | 87.4 | Confident | 138 Ų | 138 | 92.3 Ų | 92.3 | 60% | 0.6 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 175.2 | -72.1 | -180 | 178.3 | -173.1 | 0 | 112.6 | I90 R91 S92 T97 L98 | I90-K94 HydrophobicContact CG2-CD 4.44Å; I90-K94 WeakPolarHBondContact O-CG 3.14Å; I90-K94 PolarHBondContact O-N 3.48Å; I90-K94 VanDerWaalsContact O-N 3.12Å; R91-K94 PolarHBondContact O-N 2.78Å; S92-K94 VanDerWaalsContact C-N 3.33Å; S92-K94 PolarHBondContact O-N 3.42Å; K94-T97 PolarHBondContact O-N 3.2Å; K94-L98 WeakPolarHBondContact O-CG 3.31Å; K94-L98 PolarHBondContact O-N 3.05Å |
| 95 | Q | 87.4 | Confident | 86.7 | Confident | 115 Ų | 115 | 92.5 Ų | 92.5 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 176.3 | -68.7 | -63.8 | -27.6 | 0 | 0 | 112 | R91 S92 L98 A99 | R91-Q95 WeakPolarHBondContact O-CG 3.1Å; R91-Q95 PolarHBondContact O-N 2.78Å; S92-Q95 PolarHBondContact O-N 2.82Å; S92-Q95 VanDerWaalsContact O-N 3.16Å; Q95-L98 PolarHBondContact O-N 3.22Å; Q95-A99 PolarHBondContact O-N 3.42Å |
| 96 | C | 85.9 | Confident | 85.9 | Confident | 35 Ų | 35 | 96 Ų | 96 | 24% | 0.236 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 171.6 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | S92 A93 L98 A99 I100 | S92-C96 PolarHBondContact O-N 3.45Å; S92-C96 PolarHBondContact O-SG 3.05Å; A93-C96 PolarHBondContact O-N 2.84Å; C96-L98 VanDerWaalsContact C-N 3.34Å; C96-L98 PolarHBondContact O-N 2.72Å; C96-A99 PolarHBondContact O-N 2.96Å; C96-I100 WeakPolarHBondContact O-CD1 3.2Å; C96-I100 VanDerWaalsContact O-CG1 3.26Å; C96-I100 WeakPolarHBondContact O-CG1 3.49Å; C96-I100 PolarHBondContact O-N 3.28Å |
| 97 | T | 86.6 | Confident | 85.1 | Confident | 96 Ų | 96 | 92.2 Ų | 92.2 | 59% | 0.589 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.1 | -38.1 | 177.6 | -50.4 | 0 | 0 | 0 | 0 | 112.7 | A93 K94 K101 | A93-T97 PolarHBondContact O-N 2.82Å; A93-T97 VanDerWaalsContact O-N 3.09Å; A93-T97 PolarHBondContact O-OG1 3.09Å; A93-T97 VanDerWaalsContact O-OG1 3.1Å; K94-T97 PolarHBondContact O-N 3.2Å; T97-K101 PolarHBondContact O-N 2.87Å; T97-K101 VanDerWaalsContact O-N 3.15Å |
| 98 | L | 87 | Confident | 84.2 | Confident | 74 Ų | 74 | 95.1 Ų | 95.1 | 39% | 0.387 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -48.3 | 175.1 | -70.1 | 173 | 0 | 0 | 0 | 111.5 | K94 Q95 C96 I100 K101 E102 | K94-L98 WeakPolarHBondContact O-CG 3.31Å; K94-L98 PolarHBondContact O-N 3.05Å; Q95-L98 PolarHBondContact O-N 3.22Å; C96-L98 VanDerWaalsContact C-N 3.34Å; C96-L98 PolarHBondContact O-N 2.72Å; L98-I100 VanDerWaalsContact C-N 3.3Å; L98-I100 PolarHBondContact O-N 3.34Å; L98-K101 PolarHBondContact O-N 3.19Å; L98-E102 WeakPolarHBondContact O-CB 3.49Å; L98-E102 WeakPolarHBondContact O-CG 3.35Å; L98-E102 PolarHBondContact O-N 2.81Å |
| 99 | A | 85.1 | Confident | 83.2 | Confident | 9 Ų | 9 | 97 Ų | 97 | 7% | 0.074 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -56.9 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q95 C96 K101 E102 G103 R104 | Q95-A99 PolarHBondContact O-N 3.42Å; C96-A99 PolarHBondContact O-N 2.96Å; A99-K101 PolarHBondContact O-N 3.11Å; A99-E102 PolarHBondContact O-N 3.47Å; A99-G103 PolarHBondContact O-N 2.82Å; A99-G103 VanDerWaalsContact O-N 3.1Å; A99-R104 HydrophobicContact CB-CB 4.42Å; A99-R104 PolarHBondContact O-N 2.79Å |
| 100 | I | 86.2 | Confident | 82.4 | Confident | 118 Ų | 118 | 96.8 Ų | 96.8 | 61% | 0.605 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60 | -44.8 | 174 | -67.9 | 164.3 | 0 | 0 | 0 | 111.3 | C96 L98 G103 L106 | C96-I100 WeakPolarHBondContact O-CD1 3.2Å; C96-I100 VanDerWaalsContact O-CG1 3.26Å; C96-I100 WeakPolarHBondContact O-CG1 3.49Å; C96-I100 PolarHBondContact O-N 3.28Å; L98-I100 VanDerWaalsContact C-N 3.3Å; L98-I100 PolarHBondContact O-N 3.34Å; I100-G103 PolarHBondContact O-N 2.89Å; I100-L106 HydrophobicContact CD1-CD2 3.98Å; I100-L106 HydrophobicContact CG1-CD2 3.53Å |
| 101 | K | 86.1 | Confident | 81.4 | Confident | 181 Ų | 181 | 98.9 Ų | 98.9 | 79% | 0.787 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.4 | -34.4 | 180 | -172.5 | -174.9 | 175.5 | -170.5 | 0 | 112.6 | T97 L98 A99 G103 | T97-K101 PolarHBondContact O-N 2.87Å; T97-K101 VanDerWaalsContact O-N 3.15Å; L98-K101 PolarHBondContact O-N 3.19Å; A99-K101 PolarHBondContact O-N 3.11Å; K101-G103 VanDerWaalsContact C-N 3.33Å |
| 102 | E | 87.4 | Confident | 80.1 | Confident | 131 Ų | 131 | 97 Ų | 97 | 61% | 0.612 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -2.2 | -178.6 | -69.3 | 167.7 | -164.4 | 0 | 0 | 113.1 | L98 A99 R104 | L98-E102 WeakPolarHBondContact O-CB 3.49Å; L98-E102 WeakPolarHBondContact O-CG 3.35Å; L98-E102 PolarHBondContact O-N 2.81Å; A99-E102 PolarHBondContact O-N 3.47Å; E102-R104 PolarHBondContact O-N 3.01Å |
| 103 | G | 79.8 | Confident | 78.9 | Confident | 70 Ų | 70 | 98.4 Ų | 98.4 | 72% | 0.722 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.9 | 13 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A99 I100 K101 | A99-G103 PolarHBondContact O-N 2.82Å; A99-G103 VanDerWaalsContact O-N 3.1Å; I100-G103 PolarHBondContact O-N 2.89Å; K101-G103 VanDerWaalsContact C-N 3.33Å |
| 104 | R | 73.5 | Confident | 77.9 | Confident | 178 Ų | 178 | 102.1 Ų | 102.1 | 67% | 0.672 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 143.1 | -178.6 | -165 | 175 | -175.3 | 170.7 | 2 | 109.7 | A99 E102 L106 | A99-R104 HydrophobicContact CB-CB 4.42Å; A99-R104 PolarHBondContact O-N 2.79Å; E102-R104 PolarHBondContact O-N 3.01Å; R104-L106 PolarHBondContact O-N 2.78Å |
| 105 | P | 75.1 | Confident | 77 | Confident | 113 Ų | 113 | 97.7 Ų | 97.7 | 73% | 0.734 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 136 | 172.7 | 19.1 | -33.5 | 0 | 0 | 0 | 111.4 | ||
| 106 | L | 71.6 | Confident | 76.1 | Confident | 116 Ų | 116 | 95.8 Ų | 95.8 | 61% | 0.607 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 134.8 | -177 | -71.6 | 171 | 0 | 0 | 0 | 110.7 | I100 R104 | I100-L106 HydrophobicContact CD1-CD2 3.98Å; I100-L106 HydrophobicContact CG1-CD2 3.53Å; R104-L106 PolarHBondContact O-N 2.78Å |
| 107 | P | 72.6 | Confident | 75.6 | Confident | 50 Ų | 50 | 97.4 Ų | 97.4 | 33% | 0.325 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 145.2 | 168.5 | 28.2 | -34.2 | 0 | 0 | 0 | 109.2 | ||
| 108 | P | 72.9 | Confident | 75.6 | Confident | 114 Ų | 114 | 97.6 Ų | 97.6 | 74% | 0.74 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 142.5 | 178.8 | 24.7 | -33.9 | 0 | 0 | 0 | 110.1 | ||
| 109 | P | 70.7 | Confident | 75.6 | Confident | 114 Ų | 114 | 97.7 Ų | 97.7 | 74% | 0.74 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 135.7 | -176.5 | 24.3 | -33.8 | 0 | 0 | 0 | 110.2 | ||
| 110 | P | 70.3 | Confident | 75.9 | Confident | 72 Ų | 72 | 101.7 Ų | 101.7 | 47% | 0.468 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 140.7 | -179.1 | 25.4 | -34.6 | 0 | 0 | 0 | 110.1 | ||
| 111 | P | 71 | Confident | 76.2 | Confident | 117 Ų | 117 | 96 Ų | 96 | 76% | 0.76 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 135.7 | 177.5 | -27.8 | 35.4 | 0 | 0 | 0 | 111.3 | S113 | P111-S113 PolarHBondContact O-N 3.3Š|
| 112 | P | 66.4 | Low | 76.5 | Confident | 111 Ų | 111 | 91.6 Ų | 91.6 | 72% | 0.721 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 124.7 | 178.5 | -25.8 | 34.4 | 0 | 0 | 0 | 110.8 | L114 | P112-L114 WeakPolarHBondContact O-CG 3.45Å; P112-L114 PolarHBondContact O-N 2.87Å |
| 113 | S | 64.3 | Low | 76.7 | Confident | 60 Ų | 60 | 90.1 Ų | 90.1 | 42% | 0.42 | 52% | 0.518 | S | S | . | . | trans | -62.6 | 105.3 | -173.8 | 48.8 | 0 | 0 | 0 | 0 | 111 | P111 N115 | P111-S113 PolarHBondContact O-N 3.3Å; S113-N115 PolarHBondContact O-N 3.46Å; S113-N115 PolarHBondContact O-ND2 3.2Å | ||
| 114 | L | 66.1 | Low | 77.2 | Confident | 132 Ų | 132 | 89 Ų | 89 | 69% | 0.691 | 50% | 0.498 | S | S | * | . | trans | -75.5 | 70.2 | -177.4 | -64.3 | -174.8 | 0 | 0 | 0 | 110.4 | P112 P116 | P112-L114 WeakPolarHBondContact O-CG 3.45Å; P112-L114 PolarHBondContact O-N 2.87Å; L114-P116 VanDerWaalsContact O-N 3.12Å | ||
| 115 | N | 70.3 | Confident | 77.9 | Confident | 45 Ų | 45 | 86.5 Ų | 86.5 | 24% | 0.241 | 50% | 0.496 | C | S | . | . | trans | -46.4 | 118.9 | 172.1 | -79.9 | -103.7 | 0 | 0 | 0 | 108.8 | S113 D117 Y118 R127 | S113-N115 PolarHBondContact O-N 3.46Å; S113-N115 PolarHBondContact O-ND2 3.2Å; N115-D117 VanDerWaalsContact C-N 3.3Å; N115-D117 PolarHBondContact O-N 2.91Å; N115-Y118 HydrophobicContact CB-CD2 3.74Å; N115-Y118 HydrophobicContact CB-CE2 4.18Å; N115-Y118 HydrophobicContact CB-CG 4.42Å; N115-Y118 PolarHBondContact O-N 3.02Å; N115-R127 PolarHBondContact O-NH2 2.81Å | ||
| 116 | P | 69.4 | Low | 78.6 | Confident | 75 Ų | 75 | 89.4 Ų | 89.4 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -27.7 | -171.1 | 25.7 | -33.5 | 0 | 0 | 0 | 112.4 | L114 Y118 | L114-P116 VanDerWaalsContact O-N 3.12Å; P116-Y118 PolarHBondContact O-N 3.35Å |
| 117 | D | 75.9 | Confident | 79.4 | Confident | 69 Ų | 69 | 88.1 Ų | 88.1 | 37% | 0.369 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 5.1 | -179.2 | -47.2 | -56.8 | 0 | 0 | 0 | 114.5 | N115 | N115-D117 VanDerWaalsContact C-N 3.3Å; N115-D117 PolarHBondContact O-N 2.91Å |
| 118 | Y | 85.4 | Confident | 80.2 | Confident | 100 Ų | 100 | 88.1 Ų | 88.1 | 39% | 0.392 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 102.9 | -173.2 | -85.1 | -113.8 | 0 | 0 | 0 | 112.2 | N115 P116 R127 F128 | N115-Y118 HydrophobicContact CB-CD2 3.74Å; N115-Y118 HydrophobicContact CB-CE2 4.18Å; N115-Y118 HydrophobicContact CB-CG 4.42Å; N115-Y118 PolarHBondContact O-N 3.02Å; P116-Y118 PolarHBondContact O-N 3.35Å; Y118-R127 HydrophobicContact CD1-CB 4.29Å; Y118-R127 PolarHBondContact O-NE 2.88Å; Y118-R127 PolarHBondContact O-NH2 3.18Å; Y118-F128 CarbonylContact C-O 3.56Å; Y118-F128 VanDerWaalsContact CA-O 3.26Å; Y118-F128 WeakPolarHBondContact CA-O 3.47Å |
| 119 | I | 87.6 | Confident | 80.9 | Confident | 77 Ų | 77 | 86 Ų | 86 | 40% | 0.395 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 136.9 | 175 | -59.6 | 179 | 0 | 0 | 0 | 109.9 | R127 F128 E130 A133 I137 | I119-R127 CarbonylContact O-C 3.58Å; I119-R127 WeakPolarHBondContact O-CA 3.32Å; I119-F128 PolarHBondContact N-O 2.83Å; I119-F128 PolarHBondContact O-N 2.91Å; I119-E130 HydrophobicContact CD1-CB 4.42Å; I119-E130 HydrophobicContact CD1-CG 4.08Å; I119-E130 HydrophobicContact CG1-CG 4.49Å; I119-A133 HydrophobicContact CB-CB 3.89Å; I119-A133 HydrophobicContact CD1-CB 4.46Å; I119-A133 HydrophobicContact CG2-CB 4.25Å; I119-I137 HydrophobicContact CG2-CD1 4.15Å |
| 120 | Q | 91.4 | Very high | 81.7 | Confident | 92 Ų | 92 | 84.2 Ų | 84.2 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 130.3 | 175.2 | -174.8 | 166 | -23.4 | 0 | 0 | 111 | M125 R127 | Q120-M125 VanDerWaalsContact NE2-CE 3.3Å; Q120-M125 PolarHBondContact NE2-SD 3.12Å; Q120-R127 HydrophobicContact CB-CG 4.16Å; Q120-R127 HydrophobicContact CG-CG 4.31Å |
| 121 | C | 93.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 121.3 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | Y123 C124 M125 R126 F128 H136 I137 | C121-Y123 PolarHBondContact O-N 2.71Å; C121-C124 PolarHBondContact O-N 3.44Å; C121-M125 VanDerWaalsContact O-CA 3.29Å; C121-M125 WeakPolarHBondContact O-CA 3.37Å; C121-M125 PolarHBondContact O-N 3.3Å; C121-R126 WeakPolarHBondContact CB-O 3.27Å; C121-R126 PolarHBondContact N-O 2.87Å; C121-F128 HydrophobicContact CB-CD2 4.42Å; C121-F128 HydrophobicContact CB-CE2 4.14Å; C121-H136 PolarHBondContact SG-CD2 2.94Å; C121-H136 PolarHBondContact SG-NE2 3.43Å; C121-H136 VanDerWaalsContact SG-NE2 3.35Å; C121-I137 HydrophobicContact CB-CG1 4.17Å |
| 122 | P | 92.2 | Very high | 83.6 | Confident | 88 Ų | 88 | 80.3 Ų | 80.3 | 57% | 0.571 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -17.6 | -177.3 | 27.9 | -35 | 0 | 0 | 0 | 113.4 | ||
| 123 | Y | 91.6 | Very high | 84.9 | Confident | 99 Ų | 99 | 75 Ų | 75 | 39% | 0.388 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -17.1 | -176 | -57.2 | -71 | 0 | 0 | 0 | 114.6 | C121 I137 K141 S144 | C121-Y123 PolarHBondContact O-N 2.71Å; Y123-I137 HydrophobicContact CD2-CG2 4.47Å; Y123-I137 HydrophobicContact CE2-CG2 4.15Å; Y123-K141 HydrophobicContact CD2-CB 3.92Å; Y123-K141 HydrophobicContact CE1-CB 4.37Å; Y123-K141 HydrophobicContact CE1-CG 4.22Å; Y123-K141 HydrophobicContact CE2-CB 3.46Å; Y123-K141 VanDerWaalsContact CE2-CB 3.46Å; Y123-K141 HydrophobicContact CE2-CD 4.39Å; Y123-K141 HydrophobicContact CE2-CG 3.94Å; Y123-S144 VanDerWaalsContact CD1-OG 3.24Å; Y123-S144 WeakPolarHBondContact CD1-OG 3.13Å |
| 124 | C | 90.1 | Very high | 86.2 | Confident | 46 Ų | 46 | 77.9 Ų | 77.9 | 31% | 0.311 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.3 | 6.8 | 178.9 | 74.4 | 0 | 0 | 0 | 0 | 115.1 | C121 R126 H136 | C121-C124 PolarHBondContact O-N 3.44Å; C124-R126 PolarHBondContact O-N 3.44Å; C124-H136 PolarHBondContact SG-NE2 3.48Å |
| 125 | M | 88.3 | Confident | 87.5 | Confident | 127 Ų | 127 | 81.3 Ų | 81.3 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | trans | 58.3 | 3.3 | 178.7 | -54.6 | -59.6 | -102.8 | 0 | 0 | 116.4 | Q120 C121 | Q120-M125 VanDerWaalsContact NE2-CE 3.3Å; Q120-M125 PolarHBondContact NE2-SD 3.12Å; C121-M125 VanDerWaalsContact O-CA 3.29Å; C121-M125 WeakPolarHBondContact O-CA 3.37Å; C121-M125 PolarHBondContact O-N 3.3Å | ||
| 126 | R | 88.7 | Confident | 88.6 | Confident | 174 Ų | 174 | 81.1 Ų | 81.1 | 66% | 0.657 | 39% | 0.389 | S | S | * | . | trans | -72.3 | 141.1 | 173.5 | -63.8 | 177.8 | -176.6 | -140.2 | -3.4 | 110.5 | C121 C124 F128 | C121-R126 WeakPolarHBondContact CB-O 3.27Å; C121-R126 PolarHBondContact N-O 2.87Å; C124-R126 PolarHBondContact O-N 3.44Å; R126-F128 HydrophobicContact CB-CD2 4.42Å; R126-F128 HydrophobicContact CB-CE2 3.45Å; R126-F128 VanDerWaalsContact CB-CE2 3.45Å; R126-F128 HydrophobicContact CB-CZ 3.59Å; R126-F128 WeakPolarHBondContact O-CD2 3.29Å; R126-F128 WeakPolarHBondContact O-CE2 3.43Å | ||
| 127 | R | 88.6 | Confident | 89.8 | Confident | 88 Ų | 88 | 79.7 Ų | 79.7 | 33% | 0.332 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 138.8 | 177.7 | -58 | -173.5 | 70.4 | -142.3 | 0.9 | 111 | N115 Y118 I119 Q120 | N115-R127 PolarHBondContact O-NH2 2.81Å; Y118-R127 HydrophobicContact CD1-CB 4.29Å; Y118-R127 PolarHBondContact O-NE 2.88Å; Y118-R127 PolarHBondContact O-NH2 3.18Å; I119-R127 CarbonylContact O-C 3.58Å; I119-R127 WeakPolarHBondContact O-CA 3.32Å; Q120-R127 HydrophobicContact CB-CG 4.16Å; Q120-R127 HydrophobicContact CG-CG 4.31Å |
| 128 | F | 89.4 | Confident | 90.6 | Very high | 50 Ų | 50 | 82 Ų | 82 | 22% | 0.219 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 153.2 | -178.5 | -56.9 | -87.8 | 0 | 0 | 0 | 110.3 | Y118 I119 C121 R126 A132 A133 H136 | Y118-F128 CarbonylContact C-O 3.56Å; Y118-F128 VanDerWaalsContact CA-O 3.26Å; Y118-F128 WeakPolarHBondContact CA-O 3.47Å; I119-F128 PolarHBondContact N-O 2.83Å; I119-F128 PolarHBondContact O-N 2.91Å; C121-F128 HydrophobicContact CB-CD2 4.42Å; C121-F128 HydrophobicContact CB-CE2 4.14Å; R126-F128 HydrophobicContact CB-CD2 4.42Å; R126-F128 HydrophobicContact CB-CE2 3.45Å; R126-F128 VanDerWaalsContact CB-CE2 3.45Å; R126-F128 HydrophobicContact CB-CZ 3.59Å; R126-F128 WeakPolarHBondContact O-CD2 3.29Å; R126-F128 WeakPolarHBondContact O-CE2 3.43Å; F128-A132 HydrophobicContact CB-CB 4.11Å; F128-A133 HydrophobicContact CB-CB 4.06Å; F128-H136 HydrophobicContact CD2-CB 4.32Å; F128-H136 AromaticContact CD2-CD2 3.74Å; F128-H136 AromaticContact CD2-CG 3.96Å; F128-H136 HydrophobicContact CE2-CB 4.27Å; F128-H136 AromaticContact CE2-CD2 3.15Å; F128-H136 WeakPolarHBondContact CE2-CD2 3.28Å; F128-H136 AromaticContact CE2-CE1 3.73Å; F128-H136 AromaticContact CE2-CG 3.45Å; F128-H136 VanDerWaalsContact CE2-CG 3.45Å; F128-H136 AromaticContact CE2-ND1 3.8Å; F128-H136 AromaticContact CE2-NE2 3.35Å; F128-H136 WeakPolarHBondContact CE2-NE2 3.38Å; F128-H136 HydrophobicContact CZ-CB 4.41Å; F128-H136 AromaticContact CZ-CD2 3.7Å; F128-H136 AromaticContact CZ-CE1 3.53Å; F128-H136 AromaticContact CZ-CG 3.57Å; F128-H136 AromaticContact CZ-ND1 3.47Å; F128-H136 WeakPolarHBondContact CZ-ND1 3.47Å; F128-H136 AromaticContact CZ-NE2 3.67Å |
| 129 | N | 88.9 | Confident | 91 | Very high | 70 Ų | 70 | 83 Ų | 83 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 157.6 | 167.3 | 66.6 | 33.2 | 0 | 0 | 0 | 110.8 | T131 A132 A133 | N129-T131 PolarHBondContact O-N 3.42Å; N129-A132 CarbonylContact O-C 3.43Å; N129-A132 PolarHBondContact O-N 3.19Å; N129-A132 VanDerWaalsContact O-N 3.1Å; N129-A132 WeakPolarHBondContact OD1-CB 3.47Å; N129-A132 PolarHBondContact OD1-N 2.99Å; N129-A133 WeakPolarHBondContact O-CB 3.17Å; N129-A133 PolarHBondContact O-N 2.86Å |
| 130 | E | 86.9 | Confident | 91.2 | Very high | 76 Ų | 76 | 80 Ų | 80 | 36% | 0.355 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -47.3 | -50.5 | -171.4 | -58.2 | -178.5 | 123.9 | 0 | 0 | 114.1 | R75 I119 A132 A133 E134 | R75-E130 WeakPolarHBondContact CD-OE2 3.24Å; R75-E130 IonicContact CZ-OE2 3.28Å; R75-E130 IonicContact NE-OE2 2.75Å; R75-E130 IonicContact NH1-OE2 3.28Å; R75-E130 PolarHBondContact NH1-OE2 2.78Å; I119-E130 HydrophobicContact CD1-CB 4.42Å; I119-E130 HydrophobicContact CD1-CG 4.08Å; I119-E130 HydrophobicContact CG1-CG 4.49Å; E130-A132 PolarHBondContact O-N 2.98Å; E130-A133 WeakPolarHBondContact O-CB 3.49Å; E130-A133 PolarHBondContact O-N 3.44Å; E130-A133 VanDerWaalsContact O-N 3.12Å; E130-E134 WeakPolarHBondContact O-CG 3.48Å; E130-E134 PolarHBondContact O-N 3.27Å |
| 131 | T | 89.1 | Confident | 91.2 | Very high | 70 Ų | 70 | 81.2 Ų | 81.2 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74.8 | -25.3 | -175.1 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | N129 | N129-T131 PolarHBondContact O-N 3.42Å |
| 132 | A | 91.6 | Very high | 91.1 | Very high | 37 Ų | 37 | 84.2 Ų | 84.2 | 31% | 0.306 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -78.6 | -34 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F128 N129 E130 R135 H136 | F128-A132 HydrophobicContact CB-CB 4.11Å; N129-A132 CarbonylContact O-C 3.43Å; N129-A132 PolarHBondContact O-N 3.19Å; N129-A132 VanDerWaalsContact O-N 3.1Å; N129-A132 WeakPolarHBondContact OD1-CB 3.47Å; N129-A132 PolarHBondContact OD1-N 2.99Å; E130-A132 PolarHBondContact O-N 2.98Å; A132-R135 PolarHBondContact O-N 3.33Å; A132-H136 WeakPolarHBondContact O-CB 3.27Å; A132-H136 PolarHBondContact O-N 3.12Å |
| 133 | A | 93.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 82.6 Ų | 82.6 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.4 | -45 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I119 F128 N129 E130 R135 H136 I137 | I119-A133 HydrophobicContact CB-CB 3.89Å; I119-A133 HydrophobicContact CD1-CB 4.46Å; I119-A133 HydrophobicContact CG2-CB 4.25Å; F128-A133 HydrophobicContact CB-CB 4.06Å; N129-A133 WeakPolarHBondContact O-CB 3.17Å; N129-A133 PolarHBondContact O-N 2.86Å; E130-A133 WeakPolarHBondContact O-CB 3.49Å; E130-A133 PolarHBondContact O-N 3.44Å; E130-A133 VanDerWaalsContact O-N 3.12Å; A133-R135 VanDerWaalsContact C-N 3.33Å; A133-R135 PolarHBondContact O-N 3.18Å; A133-H136 PolarHBondContact O-N 3.42Å; A133-I137 HydrophobicContact CB-CD1 4.06Å; A133-I137 VanDerWaalsContact O-CB 3.24Å; A133-I137 WeakPolarHBondContact O-CB 3.34Å; A133-I137 WeakPolarHBondContact O-CG1 3.36Å; A133-I137 PolarHBondContact O-N 2.9Å |
| 134 | E | 91.6 | Very high | 90.6 | Very high | 119 Ų | 119 | 80 Ų | 80 | 56% | 0.556 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -50.3 | -50.5 | 173 | -73.7 | 163.8 | -159.2 | 0 | 0 | 112.3 | E130 N138 | E130-E134 WeakPolarHBondContact O-CG 3.48Å; E130-E134 PolarHBondContact O-N 3.27Å; E134-N138 PolarHBondContact O-ND2 3.05Å |
| 135 | R | 93.9 | Very high | 90.1 | Very high | 204 Ų | 204 | 81.8 Ų | 81.8 | 77% | 0.77 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -71.8 | -42.4 | -179.3 | -64.2 | 179.2 | -178.8 | -127.8 | -2.8 | 111.7 | A132 A133 F139 | A132-R135 PolarHBondContact O-N 3.33Å; A133-R135 VanDerWaalsContact C-N 3.33Å; A133-R135 PolarHBondContact O-N 3.18Å; R135-F139 PolarHBondContact O-N 3.13Å |
| 136 | H | 94.6 | Very high | 89.7 | Confident | 41 Ų | 41 | 84.2 Ų | 84.2 | 19% | 0.19 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -70.3 | -45.1 | -177.2 | 176.1 | 81.4 | 0 | 0 | 0 | 112.4 | C121 C124 F128 A132 A133 N138 F139 C140 | C121-H136 PolarHBondContact SG-CD2 2.94Å; C121-H136 PolarHBondContact SG-NE2 3.43Å; C121-H136 VanDerWaalsContact SG-NE2 3.35Å; C124-H136 PolarHBondContact SG-NE2 3.48Å; F128-H136 HydrophobicContact CD2-CB 4.32Å; F128-H136 AromaticContact CD2-CD2 3.74Å; F128-H136 AromaticContact CD2-CG 3.96Å; F128-H136 HydrophobicContact CE2-CB 4.27Å; F128-H136 AromaticContact CE2-CD2 3.15Å; F128-H136 WeakPolarHBondContact CE2-CD2 3.28Å; F128-H136 AromaticContact CE2-CE1 3.73Å; F128-H136 AromaticContact CE2-CG 3.45Å; F128-H136 VanDerWaalsContact CE2-CG 3.45Å; F128-H136 AromaticContact CE2-ND1 3.8Å; F128-H136 AromaticContact CE2-NE2 3.35Å; F128-H136 WeakPolarHBondContact CE2-NE2 3.38Å; F128-H136 HydrophobicContact CZ-CB 4.41Å; F128-H136 AromaticContact CZ-CD2 3.7Å; F128-H136 AromaticContact CZ-CE1 3.53Å; F128-H136 AromaticContact CZ-CG 3.57Å; F128-H136 AromaticContact CZ-ND1 3.47Å; F128-H136 WeakPolarHBondContact CZ-ND1 3.47Å; F128-H136 AromaticContact CZ-NE2 3.67Å; A132-H136 WeakPolarHBondContact O-CB 3.27Å; A132-H136 PolarHBondContact O-N 3.12Å; A133-H136 PolarHBondContact O-N 3.42Å; H136-N138 VanDerWaalsContact C-N 3.34Å; H136-N138 PolarHBondContact O-N 3.4Å; H136-F139 PolarHBondContact O-N 3.42Å; H136-C140 WeakPolarHBondContact NE2-CB 3.13Å; H136-C140 WeakPolarHBondContact O-CA 3.48Å; H136-C140 WeakPolarHBondContact O-CB 3.41Å; H136-C140 PolarHBondContact O-N 3.13Å |
| 137 | I | 93.8 | Very high | 88.7 | Confident | 46 Ų | 46 | 83 Ų | 83 | 24% | 0.236 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63 | -42 | -176.6 | -69.4 | 167.2 | 0 | 0 | 0 | 110.2 | I119 C121 Y123 A133 C140 K141 | I119-I137 HydrophobicContact CG2-CD1 4.15Å; C121-I137 HydrophobicContact CB-CG1 4.17Å; Y123-I137 HydrophobicContact CD2-CG2 4.47Å; Y123-I137 HydrophobicContact CE2-CG2 4.15Å; A133-I137 HydrophobicContact CB-CD1 4.06Å; A133-I137 VanDerWaalsContact O-CB 3.24Å; A133-I137 WeakPolarHBondContact O-CB 3.34Å; A133-I137 WeakPolarHBondContact O-CG1 3.36Å; A133-I137 PolarHBondContact O-N 2.9Å; I137-C140 PolarHBondContact O-N 3.3Å; I137-K141 VanDerWaalsContact O-CB 3.26Å; I137-K141 WeakPolarHBondContact O-CB 3.48Å; I137-K141 PolarHBondContact O-N 3.31Å |
| 138 | N | 93.2 | Very high | 87.3 | Confident | 116 Ų | 116 | 85 Ų | 85 | 62% | 0.62 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.2 | -49.7 | 175.6 | -78 | -59.7 | 0 | 0 | 0 | 112.1 | E134 H136 C140 D142 | E134-N138 PolarHBondContact O-ND2 3.05Å; H136-N138 VanDerWaalsContact C-N 3.34Å; H136-N138 PolarHBondContact O-N 3.4Å; N138-C140 PolarHBondContact O-N 2.84Å; N138-D142 PolarHBondContact O-N 3.36Å |
| 139 | F | 92.6 | Very high | 85.8 | Confident | 122 Ų | 122 | 90 Ų | 90 | 54% | 0.535 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.7 | -36.6 | 175.6 | 176.6 | -102.7 | 0 | 0 | 0 | 113.1 | R135 H136 Q143 | R135-F139 PolarHBondContact O-N 3.13Å; H136-F139 PolarHBondContact O-N 3.42Å; F139-Q143 HydrophobicContact CE1-CB 4.3Å; F139-Q143 HydrophobicContact CE1-CG 4.41Å; F139-Q143 WeakPolarHBondContact O-CB 3.33Å; F139-Q143 PolarHBondContact O-N 3.43Å |
| 140 | C | 93.2 | Very high | 84.7 | Confident | 13 Ų | 13 | 90.4 Ų | 90.4 | 9% | 0.088 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -78.6 | -31.1 | -175.2 | -162 | 0 | 0 | 0 | 0 | 112.3 | H136 I137 N138 S144 | H136-C140 WeakPolarHBondContact NE2-CB 3.13Å; H136-C140 WeakPolarHBondContact O-CA 3.48Å; H136-C140 WeakPolarHBondContact O-CB 3.41Å; H136-C140 PolarHBondContact O-N 3.13Å; I137-C140 PolarHBondContact O-N 3.3Å; N138-C140 PolarHBondContact O-N 2.84Å; C140-S144 WeakPolarHBondContact O-CB 3.29Å; C140-S144 PolarHBondContact O-N 2.89Å; C140-S144 PolarHBondContact O-OG 3.42Å; C140-S144 VanDerWaalsContact O-OG 3.05Å |
| 141 | K | 91.3 | Very high | 83.7 | Confident | 119 Ų | 119 | 90.7 Ų | 90.7 | 52% | 0.517 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -53.9 | -57.4 | 166.5 | 179.6 | 173.7 | -179.5 | -179.6 | 0 | 109.7 | Y123 I137 S144 S145 | Y123-K141 HydrophobicContact CD2-CB 3.92Å; Y123-K141 HydrophobicContact CE1-CB 4.37Å; Y123-K141 HydrophobicContact CE1-CG 4.22Å; Y123-K141 HydrophobicContact CE2-CB 3.46Å; Y123-K141 VanDerWaalsContact CE2-CB 3.46Å; Y123-K141 HydrophobicContact CE2-CD 4.39Å; Y123-K141 HydrophobicContact CE2-CG 3.94Å; I137-K141 VanDerWaalsContact O-CB 3.26Å; I137-K141 WeakPolarHBondContact O-CB 3.48Å; I137-K141 PolarHBondContact O-N 3.31Å; K141-S144 PolarHBondContact O-N 3.49Å; K141-S144 PolarHBondContact O-OG 3.06Å; K141-S145 PolarHBondContact O-N 3.33Å; K141-S145 PolarHBondContact O-OG 3.11Å |
| 142 | D | 89.5 | Confident | 82.6 | Confident | 62 Ų | 62 | 90.5 Ų | 90.5 | 33% | 0.332 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | -179.5 | -173.5 | 78.4 | 0 | 0 | 0 | 113 | N138 S144 S145 R146 | N138-D142 PolarHBondContact O-N 3.36Å; D142-S144 VanDerWaalsContact C-N 3.31Å; D142-S144 PolarHBondContact O-N 3.08Å; D142-S145 PolarHBondContact O-N 3.3Å; D142-S145 PolarHBondContact O-OG 2.86Å; D142-S145 VanDerWaalsContact O-OG 3.05Å; D142-R146 VanDerWaalsContact CG-NE 3.31Å; D142-R146 WeakPolarHBondContact O-CB 3.35Å; D142-R146 VanDerWaalsContact O-CG 3.31Å; D142-R146 WeakPolarHBondContact O-CG 3.48Å; D142-R146 PolarHBondContact O-N 3.47Å; D142-R146 VanDerWaalsContact O-N 3.09Å; D142-R146 IonicContact OD1-CZ 2.88Å; D142-R146 IonicContact OD1-NE 3.63Å; D142-R146 PolarHBondContact OD1-NE 3.47Å; D142-R146 IonicContact OD1-NH2 2.7Å; D142-R146 PolarHBondContact OD1-NH2 2.94Å; D142-R146 IonicContact OD2-CZ 3.39Å; D142-R146 IonicContact OD2-NE 2.64Å; D142-R146 PolarHBondContact OD2-NE 3.27Å; D142-R146 IonicContact OD2-NH2 3.12Å; D142-R146 PolarHBondContact OD2-NH2 3.16Å |
| 143 | Q | 87.3 | Confident | 81.6 | Confident | 54 Ų | 54 | 94.3 Ų | 94.3 | 25% | 0.252 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.7 | -33.3 | 175.9 | -170.9 | 72.8 | -108.5 | 0 | 0 | 111.9 | F139 R147 | F139-Q143 HydrophobicContact CE1-CB 4.3Å; F139-Q143 HydrophobicContact CE1-CG 4.41Å; F139-Q143 WeakPolarHBondContact O-CB 3.33Å; F139-Q143 PolarHBondContact O-N 3.43Å; Q143-R147 HydrophobicContact CG-CG 4.4Å; Q143-R147 WeakPolarHBondContact O-CB 3.47Å; Q143-R147 VanDerWaalsContact O-CG 3.27Å; Q143-R147 WeakPolarHBondContact O-CG 3.24Å; Q143-R147 PolarHBondContact O-N 3.39Å |
| 144 | S | 85.8 | Confident | 80.4 | Confident | 44 Ų | 44 | 96.9 Ų | 96.9 | 31% | 0.308 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75.2 | -35.4 | 178.7 | 70.5 | 0 | 0 | 0 | 0 | 113.2 | Y123 C140 K141 D142 R147 | Y123-S144 VanDerWaalsContact CD1-OG 3.24Å; Y123-S144 WeakPolarHBondContact CD1-OG 3.13Å; C140-S144 WeakPolarHBondContact O-CB 3.29Å; C140-S144 PolarHBondContact O-N 2.89Å; C140-S144 PolarHBondContact O-OG 3.42Å; C140-S144 VanDerWaalsContact O-OG 3.05Å; K141-S144 PolarHBondContact O-N 3.49Å; K141-S144 PolarHBondContact O-OG 3.06Å; D142-S144 VanDerWaalsContact C-N 3.31Å; D142-S144 PolarHBondContact O-N 3.08Å; S144-R147 CarbonylContact O-C 3.5Å |
| 145 | S | 81.1 | Confident | 79.5 | Confident | 84 Ų | 84 | 93.8 Ų | 93.8 | 59% | 0.587 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -72.4 | -36.2 | 174.6 | 59.3 | 0 | 0 | 0 | 0 | 112 | K141 D142 | K141-S145 PolarHBondContact O-N 3.33Å; K141-S145 PolarHBondContact O-OG 3.11Å; D142-S145 PolarHBondContact O-N 3.3Å; D142-S145 PolarHBondContact O-OG 2.86Å; D142-S145 VanDerWaalsContact O-OG 3.05Å |
| 146 | R | 79.9 | Confident | 78.5 | Confident | 178 Ų | 178 | 86.5 Ų | 86.5 | 67% | 0.672 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -72.9 | -33.9 | 173.1 | -65.3 | 179.7 | -154.9 | -79.8 | -2.5 | 112.9 | D142 V148 | D142-R146 VanDerWaalsContact CG-NE 3.31Å; D142-R146 WeakPolarHBondContact O-CB 3.35Å; D142-R146 VanDerWaalsContact O-CG 3.31Å; D142-R146 WeakPolarHBondContact O-CG 3.48Å; D142-R146 PolarHBondContact O-N 3.47Å; D142-R146 VanDerWaalsContact O-N 3.09Å; D142-R146 IonicContact OD1-CZ 2.88Å; D142-R146 IonicContact OD1-NE 3.63Å; D142-R146 PolarHBondContact OD1-NE 3.47Å; D142-R146 IonicContact OD1-NH2 2.7Å; D142-R146 PolarHBondContact OD1-NH2 2.94Å; D142-R146 IonicContact OD2-CZ 3.39Å; D142-R146 IonicContact OD2-NE 2.64Å; D142-R146 PolarHBondContact OD2-NE 3.27Å; D142-R146 IonicContact OD2-NH2 3.12Å; D142-R146 PolarHBondContact OD2-NH2 3.16Å; R146-V148 PolarHBondContact O-N 3.12Å |
| 147 | R | 66.3 | Low | 77.5 | Confident | 149 Ų | 149 | 91.7 Ų | 91.7 | 56% | 0.562 | 48% | 0.48 | S | S | * | . | trans | -93 | 78.1 | 174.7 | -64.7 | -171.6 | -172.4 | -150.5 | 5.2 | 111.6 | Q143 S144 F149 | Q143-R147 HydrophobicContact CG-CG 4.4Å; Q143-R147 WeakPolarHBondContact O-CB 3.47Å; Q143-R147 VanDerWaalsContact O-CG 3.27Å; Q143-R147 WeakPolarHBondContact O-CG 3.24Å; Q143-R147 PolarHBondContact O-N 3.39Å; S144-R147 CarbonylContact O-C 3.5Å; R147-F149 PolarHBondContact O-N 3.27Å | ||
| 148 | V | 60.4 | Low | 76.4 | Confident | 129 Ų | 129 | 95.1 Ų | 95.1 | 78% | 0.782 | 50% | 0.498 | S | S | * | . | trans | -50.8 | 114.3 | 141.6 | -178.4 | 0 | 0 | 0 | 0 | 106.3 | R146 N150 | R146-V148 PolarHBondContact O-N 3.12Å; V148-N150 VanDerWaalsContact C-N 3.34Å; V148-N150 PolarHBondContact O-N 3.01Å | ||
| 149 | F | 57.6 | Low | 75.6 | Confident | 156 Ų | 156 | 93.3 Ų | 93.3 | 68% | 0.684 | 49% | 0.492 | S | S | * | . | trans | -71.6 | 91.4 | -171.1 | -172.4 | -93.8 | 0 | 0 | 0 | 109.3 | R147 P151 | R147-F149 PolarHBondContact O-N 3.27Å; F149-P151 HydrophobicContact CD1-CB 4.42Å; F149-P151 HydrophobicContact CE1-CB 4Å; F149-P151 WeakPolarHBondContact O-CD 3.4Å | ||
| 150 | N | 65.1 | Low | 74.7 | Confident | 79 Ų | 79 | 90.9 Ų | 90.9 | 42% | 0.422 | 49% | 0.49 | S | S | . | . | trans | -91.1 | 97.7 | 176 | -165.3 | -47.6 | 0 | 0 | 0 | 108.2 | V148 A152 Q153 T154 | V148-N150 VanDerWaalsContact C-N 3.34Å; V148-N150 PolarHBondContact O-N 3.01Å; N150-A152 VanDerWaalsContact C-N 3.27Å; N150-A152 PolarHBondContact O-N 3.28Å; N150-Q153 PolarHBondContact O-N 3.17Å; N150-T154 PolarHBondContact O-N 2.9Å; N150-T154 PolarHBondContact O-OG1 3.1Å | ||
| 151 | P | 66.3 | Low | 73.7 | Confident | 81 Ų | 81 | 100 Ų | 100 | 53% | 0.526 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -35.3 | -169.7 | 24.3 | -34.4 | 0 | 0 | 0 | 111.8 | F149 Q153 T154 A155 | F149-P151 HydrophobicContact CD1-CB 4.42Å; F149-P151 HydrophobicContact CE1-CB 4Å; F149-P151 WeakPolarHBondContact O-CD 3.4Å; P151-Q153 PolarHBondContact O-N 3.23Å; P151-T154 PolarHBondContact O-N 3.2Å; P151-T154 VanDerWaalsContact O-N 3.13Å; P151-A155 WeakPolarHBondContact O-CB 3.42Å; P151-A155 PolarHBondContact O-N 2.92Å |
| 152 | A | 66.8 | Low | 72.8 | Confident | 67 Ų | 67 | 97.4 Ų | 97.4 | 55% | 0.554 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.4 | -46.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | N150 T154 A155 A156 | N150-A152 VanDerWaalsContact C-N 3.27Å; N150-A152 PolarHBondContact O-N 3.28Å; A152-T154 VanDerWaalsContact C-N 3.32Å; A152-T154 PolarHBondContact O-N 2.87Å; A152-A155 PolarHBondContact O-N 3.06Å; A152-A156 VanDerWaalsContact O-CB 3.29Å; A152-A156 WeakPolarHBondContact O-CB 3.46Å; A152-A156 PolarHBondContact O-N 3.48Å |
| 153 | Q | 69.3 | Low | 71.7 | Confident | 117 Ų | 117 | 99.6 Ų | 99.6 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.6 | -30.2 | 178 | -65.4 | -164.4 | 21.5 | 0 | 0 | 113.2 | N150 P151 K157 | N150-Q153 PolarHBondContact O-N 3.17Å; P151-Q153 PolarHBondContact O-N 3.23Å; Q153-K157 WeakPolarHBondContact O-CB 3.46Å; Q153-K157 WeakPolarHBondContact O-CG 3.43Å; Q153-K157 PolarHBondContact O-N 3.22Å; Q153-K157 VanDerWaalsContact O-N 3.13Å |
| 154 | T | 69.4 | Low | 70.3 | Confident | 55 Ų | 55 | 99 Ų | 99 | 34% | 0.337 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -74.8 | -43.8 | 177.9 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | N150 P151 A152 K157 L158 | N150-T154 PolarHBondContact O-N 2.9Å; N150-T154 PolarHBondContact O-OG1 3.1Å; P151-T154 PolarHBondContact O-N 3.2Å; P151-T154 VanDerWaalsContact O-N 3.13Å; A152-T154 VanDerWaalsContact C-N 3.32Å; A152-T154 PolarHBondContact O-N 2.87Å; T154-K157 PolarHBondContact O-N 3.49Å; T154-L158 HydrophobicContact CG2-CD1 4.37Å; T154-L158 WeakPolarHBondContact O-CG 3.39Å; T154-L158 PolarHBondContact O-N 2.9Å; T154-L158 VanDerWaalsContact O-N 3.08Å |
| 155 | A | 71.6 | Confident | 69 | Low | 53 Ų | 53 | 107 Ų | 107 | 44% | 0.438 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.8 | -49.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P151 A152 K157 L158 T159 | P151-A155 WeakPolarHBondContact O-CB 3.42Å; P151-A155 PolarHBondContact O-N 2.92Å; A152-A155 PolarHBondContact O-N 3.06Å; A155-K157 PolarHBondContact O-N 3.16Å; A155-L158 WeakPolarHBondContact O-CB 3.49Å; A155-L158 PolarHBondContact O-N 3.09Å; A155-T159 PolarHBondContact O-N 3.18Å; A155-T159 PolarHBondContact O-OG1 3.34Å |
| 156 | A | 73.4 | Confident | 67.8 | Low | 52 Ų | 52 | 107 Ų | 107 | 43% | 0.43 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -55.4 | -47.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A152 L158 T159 S160 | A152-A156 VanDerWaalsContact O-CB 3.29Å; A152-A156 WeakPolarHBondContact O-CB 3.46Å; A152-A156 PolarHBondContact O-N 3.48Å; A156-L158 VanDerWaalsContact C-N 3.28Å; A156-L158 PolarHBondContact O-N 3.23Å; A156-T159 PolarHBondContact O-N 3.35Å; A156-S160 PolarHBondContact O-N 2.97Å; A156-S160 PolarHBondContact O-OG 3.44Å; A156-S160 VanDerWaalsContact O-OG 3.11Å |
| 157 | K | 72.8 | Confident | 66.7 | Low | 149 Ų | 149 | 106.1 Ų | 106.1 | 65% | 0.648 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66 | -26.2 | 177.6 | -78.4 | 174.1 | 176.6 | 166.4 | 0 | 113.8 | Q153 T154 A155 R161 | Q153-K157 WeakPolarHBondContact O-CB 3.46Å; Q153-K157 WeakPolarHBondContact O-CG 3.43Å; Q153-K157 PolarHBondContact O-N 3.22Å; Q153-K157 VanDerWaalsContact O-N 3.13Å; T154-K157 PolarHBondContact O-N 3.49Å; A155-K157 PolarHBondContact O-N 3.16Å; K157-R161 VanDerWaalsContact O-CB 3.24Å; K157-R161 WeakPolarHBondContact O-CB 3.44Å; K157-R161 PolarHBondContact O-N 3.05Å |
| 158 | L | 71.7 | Confident | 65.8 | Low | 119 Ų | 119 | 105.7 Ų | 105.7 | 62% | 0.623 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.7 | -46.6 | 171.2 | -71.7 | 165.8 | 0 | 0 | 0 | 111 | T154 A155 A156 R161 A162 | T154-L158 HydrophobicContact CG2-CD1 4.37Å; T154-L158 WeakPolarHBondContact O-CG 3.39Å; T154-L158 PolarHBondContact O-N 2.9Å; T154-L158 VanDerWaalsContact O-N 3.08Å; A155-L158 WeakPolarHBondContact O-CB 3.49Å; A155-L158 PolarHBondContact O-N 3.09Å; A156-L158 VanDerWaalsContact C-N 3.28Å; A156-L158 PolarHBondContact O-N 3.23Å; L158-R161 PolarHBondContact O-N 3.34Å; L158-A162 PolarHBondContact O-N 2.97Å |
| 159 | T | 75.4 | Confident | 65.8 | Low | 78 Ų | 78 | 101.8 Ų | 101.8 | 48% | 0.479 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.6 | -49.2 | 177 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | A155 A156 R161 A162 Q163 | A155-T159 PolarHBondContact O-N 3.18Å; A155-T159 PolarHBondContact O-OG1 3.34Å; A156-T159 PolarHBondContact O-N 3.35Å; T159-R161 PolarHBondContact O-N 3.25Å; T159-A162 WeakPolarHBondContact O-CB 3.4Å; T159-A162 PolarHBondContact O-N 2.97Å; T159-A162 VanDerWaalsContact O-N 3.1Å; T159-Q163 WeakPolarHBondContact O-CG 3.46Å; T159-Q163 PolarHBondContact O-N 3.1Å |
| 160 | S | 74.1 | Confident | 65.8 | Low | 71 Ų | 71 | 100.5 Ų | 100.5 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.1 | -31.6 | 176.4 | -55.2 | 0 | 0 | 0 | 0 | 112.7 | A156 G164 | A156-S160 PolarHBondContact O-N 2.97Å; A156-S160 PolarHBondContact O-OG 3.44Å; A156-S160 VanDerWaalsContact O-OG 3.11Å; S160-G164 PolarHBondContact O-N 3.1Å |
| 161 | R | 73.7 | Confident | 65.1 | Low | 205 Ų | 205 | 105 Ų | 105 | 77% | 0.774 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76.7 | -28.2 | 175.7 | -170.3 | 168.2 | -179.1 | 142.2 | 0.4 | 112.8 | K157 L158 T159 R165 | K157-R161 VanDerWaalsContact O-CB 3.24Å; K157-R161 WeakPolarHBondContact O-CB 3.44Å; K157-R161 PolarHBondContact O-N 3.05Å; L158-R161 PolarHBondContact O-N 3.34Å; T159-R161 PolarHBondContact O-N 3.25Å; R161-R165 WeakPolarHBondContact O-CB 3.26Å; R161-R165 PolarHBondContact O-N 3.36Å |
| 162 | A | 71.8 | Confident | 64.4 | Low | 63 Ų | 63 | 110.7 Ų | 110.7 | 52% | 0.521 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.9 | -46.3 | 168 | 0 | 0 | 0 | 0 | 0 | 111.1 | L158 T159 G164 R165 A166 | L158-A162 PolarHBondContact O-N 2.97Å; T159-A162 WeakPolarHBondContact O-CB 3.4Å; T159-A162 PolarHBondContact O-N 2.97Å; T159-A162 VanDerWaalsContact O-N 3.1Å; A162-G164 PolarHBondContact O-N 2.72Å; A162-R165 WeakPolarHBondContact O-CB 3.43Å; A162-R165 PolarHBondContact O-N 3.06Å; A162-A166 PolarHBondContact O-N 3.32Å |
| 163 | Q | 65.3 | Low | 63.5 | Low | 108 Ų | 108 | 115.3 Ų | 115.3 | 51% | 0.505 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.4 | -39.6 | 175.7 | -69.9 | 166.8 | -33.3 | 0 | 0 | 112.6 | T159 R165 A166 Q167 | T159-Q163 WeakPolarHBondContact O-CG 3.46Å; T159-Q163 PolarHBondContact O-N 3.1Å; Q163-R165 VanDerWaalsContact C-N 3.31Å; Q163-R165 PolarHBondContact O-N 3.3Å; Q163-A166 PolarHBondContact O-N 3.1Å; Q163-Q167 PolarHBondContact O-N 3.11Å; Q163-Q167 VanDerWaalsContact O-N 3.16Å; Q163-Q167 PolarHBondContact O-NE2 3.5Å |
| 164 | G | 58.8 | Low | 62.7 | Low | 43 Ų | 43 | 114.4 Ų | 114.4 | 44% | 0.443 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.1 | -28.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S160 A162 M168 | S160-G164 PolarHBondContact O-N 3.1Å; A162-G164 PolarHBondContact O-N 2.72Å; G164-M168 PolarHBondContact O-N 3.1Å |
| 165 | R | 57.9 | Low | 61.9 | Low | 211 Ų | 211 | 118.4 Ų | 118.4 | 80% | 0.796 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -77.8 | -28 | 174.2 | -166.3 | 173.6 | -173.5 | -104.2 | 4.9 | 112.6 | R161 A162 Q163 Q167 | R161-R165 WeakPolarHBondContact O-CB 3.26Å; R161-R165 PolarHBondContact O-N 3.36Å; A162-R165 WeakPolarHBondContact O-CB 3.43Å; A162-R165 PolarHBondContact O-N 3.06Å; Q163-R165 VanDerWaalsContact C-N 3.31Å; Q163-R165 PolarHBondContact O-N 3.3Å; R165-Q167 VanDerWaalsContact C-N 3.34Å |
| 166 | A | 55.4 | Low | 61 | Low | 83 Ų | 83 | 120.6 Ų | 120.6 | 69% | 0.686 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.6 | -25.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A162 Q163 | A162-A166 PolarHBondContact O-N 3.32Å; Q163-A166 PolarHBondContact O-N 3.1Å |
| 167 | Q | 57.8 | Low | 60.4 | Low | 161 Ų | 161 | 123.2 Ų | 123.2 | 75% | 0.752 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -85.5 | -4 | 175.4 | -74.9 | 172.8 | 88.4 | 0 | 0 | 114.3 | Q163 R165 G169 | Q163-Q167 PolarHBondContact O-N 3.11Å; Q163-Q167 VanDerWaalsContact O-N 3.16Å; Q163-Q167 PolarHBondContact O-NE2 3.5Å; R165-Q167 VanDerWaalsContact C-N 3.34Å; Q167-G169 VanDerWaalsContact C-N 3.35Å; Q167-G169 PolarHBondContact O-N 3.36Å |
| 168 | M | 47.8 | Very low | 59.7 | Low | 139 Ų | 139 | 121.2 Ų | 121.2 | 69% | 0.685 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -74 | 97 | 160 | -168.8 | 173.1 | -160.9 | 0 | 0 | 107.5 | G164 | G164-M168 PolarHBondContact O-N 3.1Š|
| 169 | G | 59 | Low | 59 | Low | 47 Ų | 47 | 119 Ų | 119 | 49% | 0.485 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 161.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q167 K171 | Q167-G169 VanDerWaalsContact C-N 3.35Å; Q167-G169 PolarHBondContact O-N 3.36Å; G169-K171 PolarHBondContact O-N 3.46Å; G169-K171 VanDerWaalsContact O-N 3.1Å |
| 170 | P | 58.1 | Low | 58 | Low | 129 Ų | 129 | 119.4 Ų | 119.4 | 84% | 0.838 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 122.4 | -170.3 | 21.3 | -33.5 | 0 | 0 | 0 | 110.4 | K172 | P170-K172 PolarHBondContact O-N 3.4Å; P170-K172 VanDerWaalsContact O-N 3.1Å |
| 171 | K | 50.3 | Low | 57.1 | Low | 174 Ų | 174 | 117.8 Ų | 117.8 | 76% | 0.757 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 122.2 | 170.3 | -72 | -173 | 176.1 | -172.5 | 0 | 106.7 | G169 E173 | G169-K171 PolarHBondContact O-N 3.46Å; G169-K171 VanDerWaalsContact O-N 3.1Å; K171-E173 PolarHBondContact O-N 3.02Å |
| 172 | K | 51.7 | Low | 56.3 | Low | 201 Ų | 201 | 110 Ų | 110 | 87% | 0.874 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 130.4 | 170.9 | -66.1 | -176.1 | 177.4 | -176.2 | 0 | 107.7 | P170 | P170-K172 PolarHBondContact O-N 3.4Å; P170-K172 VanDerWaalsContact O-N 3.1Å |
| 173 | E | 47.9 | Very low | 55.5 | Low | 163 Ų | 163 | 113.2 Ų | 113.2 | 76% | 0.762 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 129.5 | 175.3 | -77.1 | -70.2 | 94.3 | 0 | 0 | 109.4 | K171 T175 | K171-E173 PolarHBondContact O-N 3.02Å; E173-T175 PolarHBondContact O-N 3.15Å; E173-T175 VanDerWaalsContact O-N 3.11Å |
| 174 | P | 53.8 | Low | 55.3 | Low | 98 Ų | 98 | 114.5 Ų | 114.5 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 119.7 | 168.8 | 27.6 | -31.5 | 0 | 0 | 0 | 106.7 | V176 | P174-V176 PolarHBondContact O-N 3.42Š|
| 175 | T | 52.5 | Low | 55.3 | Low | 140 Ų | 140 | 118.6 Ų | 118.6 | 86% | 0.859 | 67% | 0.665 | S | S | * | * | trans | -69.7 | 78.3 | -178 | -48.2 | 0 | 0 | 0 | 0 | 110.3 | E173 T177 | E173-T175 PolarHBondContact O-N 3.15Å; E173-T175 VanDerWaalsContact O-N 3.11Å; T175-T177 PolarHBondContact O-N 2.87Å | ||
| 176 | V | 52 | Low | 55.4 | Low | 98 Ų | 98 | 113.3 Ų | 113.3 | 59% | 0.594 | 65% | 0.653 | S | S | * | * | trans | -71.3 | 116.3 | 172.2 | -176.9 | 0 | 0 | 0 | 0 | 107.3 | P174 S178 V180 | P174-V176 PolarHBondContact O-N 3.42Å; V176-S178 PolarHBondContact O-N 3.3Å; V176-V180 HydrophobicContact CG1-CB 3.97Å; V176-V180 HydrophobicContact CG1-CG1 4.38Å; V176-V180 HydrophobicContact CG1-CG2 4.05Å | ||
| 177 | T | 60.1 | Low | 55.5 | Low | 107 Ų | 107 | 119.5 Ų | 119.5 | 66% | 0.656 | 66% | 0.658 | S | S | * | * | trans | -57.8 | 132.2 | -175.1 | -30.2 | 0 | 0 | 0 | 0 | 110.9 | T175 A179 V180 | T175-T177 PolarHBondContact O-N 2.87Å; T177-A179 PolarHBondContact O-N 3.48Å; T177-V180 PolarHBondContact O-N 3.03Å | ||
| 178 | S | 59.3 | Low | 55.1 | Low | 108 Ų | 108 | 115.2 Ų | 115.2 | 76% | 0.755 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.6 | -34 | -171.8 | -176.4 | 0 | 0 | 0 | 0 | 115.2 | V176 V180 G181 | V176-S178 PolarHBondContact O-N 3.3Å; S178-V180 PolarHBondContact O-N 3.33Å; S178-G181 PolarHBondContact O-N 3.39Å |
| 179 | A | 55.8 | Low | 55.1 | Low | 73 Ų | 73 | 115.2 Ų | 115.2 | 60% | 0.603 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -50 | -30.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T177 | T177-A179 PolarHBondContact O-N 3.48Å |
| 180 | V | 54.7 | Low | 54.5 | Low | 85 Ų | 85 | 119 Ų | 119 | 52% | 0.515 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -73.8 | -34.2 | 179.7 | -176.2 | 0 | 0 | 0 | 0 | 112 | V176 T177 S178 | V176-V180 HydrophobicContact CG1-CB 3.97Å; V176-V180 HydrophobicContact CG1-CG1 4.38Å; V176-V180 HydrophobicContact CG1-CG2 4.05Å; T177-V180 PolarHBondContact O-N 3.03Å; S178-V180 PolarHBondContact O-N 3.33Å |
| 181 | G | 55.6 | Low | 53.9 | Low | 37 Ų | 37 | 116.7 Ų | 116.7 | 38% | 0.381 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -67.5 | -44.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S178 L183 L184 Q185 | S178-G181 PolarHBondContact O-N 3.39Å; G181-L183 VanDerWaalsContact C-N 3.28Å; G181-L183 PolarHBondContact O-N 3.02Å; G181-L184 PolarHBondContact O-N 3.25Å; G181-Q185 WeakPolarHBondContact O-CG 3.45Å; G181-Q185 PolarHBondContact O-N 3.45Å |
| 182 | A | 57.2 | Low | 53.7 | Low | 41 Ų | 41 | 114 Ų | 114 | 34% | 0.339 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -59 | -38.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L184 Q185 N186 | A182-L184 VanDerWaalsContact C-N 3.34Å; A182-L184 PolarHBondContact O-N 2.98Å; A182-Q185 PolarHBondContact O-N 3.11Å; A182-N186 WeakPolarHBondContact O-CB 3.46Å; A182-N186 VanDerWaalsContact O-CG 3.24Å; A182-N186 PolarHBondContact O-N 3.28Å; A182-N186 PolarHBondContact O-ND2 3.06Å |
| 183 | L | 55 | Low | 52.9 | Low | 132 Ų | 132 | 109.6 Ų | 109.6 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.7 | -32.5 | -177.4 | -158.6 | 71.7 | 0 | 0 | 0 | 112.9 | G181 R187 | G181-L183 VanDerWaalsContact C-N 3.28Å; G181-L183 PolarHBondContact O-N 3.02Å; L183-R187 PolarHBondContact O-N 2.88Å |
| 184 | L | 60.6 | Low | 52.6 | Low | 134 Ų | 134 | 110.8 Ų | 110.8 | 70% | 0.702 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.9 | -39.9 | 174.2 | -115.9 | 70.9 | 0 | 0 | 0 | 112.1 | G181 A182 R187 | G181-L184 PolarHBondContact O-N 3.25Å; A182-L184 VanDerWaalsContact C-N 3.34Å; A182-L184 PolarHBondContact O-N 2.98Å; L184-R187 PolarHBondContact O-N 3.3Å |
| 185 | Q | 59.2 | Low | 51.7 | Low | 130 Ų | 130 | 112.7 Ų | 112.7 | 61% | 0.607 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.8 | -43.4 | -178.3 | -68.9 | 166.6 | -10.2 | 0 | 0 | 111.4 | G181 A182 R187 A188 | G181-Q185 WeakPolarHBondContact O-CG 3.45Å; G181-Q185 PolarHBondContact O-N 3.45Å; A182-Q185 PolarHBondContact O-N 3.11Å; Q185-R187 PolarHBondContact O-N 3.32Å; Q185-A188 PolarHBondContact O-N 3.25Å; Q185-A188 VanDerWaalsContact O-N 3.11Å |
| 186 | N | 58.9 | Low | 51.4 | Low | 99 Ų | 99 | 111 Ų | 111 | 53% | 0.529 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -63.4 | -26 | 175.6 | -67.8 | -16.1 | 0 | 0 | 0 | 112.8 | A182 A188 | A182-N186 WeakPolarHBondContact O-CB 3.46Å; A182-N186 VanDerWaalsContact O-CG 3.24Å; A182-N186 PolarHBondContact O-N 3.28Å; A182-N186 PolarHBondContact O-ND2 3.06Å; N186-A188 VanDerWaalsContact C-N 3.33Å |
| 187 | R | 58.6 | Low | 50.4 | Low | 214 Ų | 214 | 112.5 Ų | 112.5 | 81% | 0.808 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.8 | -23.3 | 176.3 | -173.6 | 59.1 | 175.7 | -172.1 | 1.9 | 113.2 | L183 L184 Q185 | L183-R187 PolarHBondContact O-N 2.88Å; L184-R187 PolarHBondContact O-N 3.3Å; Q185-R187 PolarHBondContact O-N 3.32Å |
| 188 | A | 48.5 | Very low | 49.3 | Very low | 70 Ų | 70 | 116.4 Ų | 116.4 | 58% | 0.579 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -83.5 | -28.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q185 N186 V190 | Q185-A188 PolarHBondContact O-N 3.25Å; Q185-A188 VanDerWaalsContact O-N 3.11Å; N186-A188 VanDerWaalsContact C-N 3.33Å; A188-V190 PolarHBondContact O-N 2.99Å |
| 189 | Q | 49.6 | Very low | 48.1 | Very low | 139 Ų | 139 | 116.9 Ų | 116.9 | 65% | 0.65 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -79 | -16.4 | -174 | -63.9 | -178.1 | 6.6 | 0 | 0 | 114.2 | A191 | Q189-A191 PolarHBondContact O-N 3.37Å |
| 190 | V | 45.2 | Very low | 46.9 | Very low | 127 Ų | 127 | 116.9 Ų | 116.9 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 3.1 | -178.2 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | A188 | A188-V190 PolarHBondContact O-N 2.99Š|
| 191 | A | 46.7 | Very low | 45.8 | Very low | 81 Ų | 81 | 121.6 Ų | 121.6 | 67% | 0.669 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -2.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q189 | Q189-A191 PolarHBondContact O-N 3.37Š|
| 192 | T | 45 | Very low | 44.8 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 72% | 0.724 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -145 | 65.6 | -169.4 | 58 | 0 | 0 | 0 | 0 | 114 | ||
| 193 | S | 33.9 | Very low | 43.8 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -163.3 | 80.2 | 167.3 | 43.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 194 | E | 42.3 | Very low | 43.2 | Very low | 187 Ų | 187 | 131.2 Ų | 131.2 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -98.3 | 135.2 | 173.2 | 57.5 | -163.8 | 92.2 | 0 | 0 | 112 | ||||
| 195 | V | 34.6 | Very low | 42.4 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | trans | -141.6 | 139.3 | 177.7 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 196 | P | 47.6 | Very low | 41.3 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | trans | -116.1 | -165.9 | -157.1 | 44 | -35.6 | 0 | 0 | 0 | 115.6 | ||||
| 197 | T | 30.6 | Very low | 40.6 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 69.3 | 144 | 174.6 | 51.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 198 | K | 36.1 | Very low | 39.4 | Very low | 189 Ų | 189 | 123.5 Ų | 123.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | cis | -169.5 | 156.9 | -1.1 | 55.5 | -163.1 | 175.1 | -170.4 | 0 | 106.9 | ||||
| 199 | S | 33.6 | Very low | 39.2 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | cis | -144.4 | -179.8 | 6.3 | -58.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 200 | G | 31.2 | Very low | 38.9 | Very low | 73 Ų | 73 | 128 Ų | 128 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | cis | 124.7 | 75.4 | -3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 201 | L | 31.4 | Very low | 38.6 | Very low | 184 Ų | 184 | 128.9 Ų | 128.9 | 96% | 0.963 | 80% | 0.798 | S | S | * | * | trans | -143.6 | 147.2 | 163.1 | -93.3 | 177 | 0 | 0 | 0 | 109.5 | ||||
| 202 | A | 35.7 | Very low | 38.2 | Very low | 78 Ų | 78 | 136.6 Ų | 136.6 | 65% | 0.645 | 81% | 0.809 | S | S | * | * | trans | -100.8 | 159.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 203 | M | 36.5 | Very low | 38.3 | Very low | 175 Ų | 175 | 138.5 Ų | 138.5 | 86% | 0.862 | 81% | 0.81 | S | S | * | * | -175 | 129.5 | 122.3 | -79.2 | -33.5 | 145.7 | 0 | 0 | 110.3 | |||||
| 204 | D | 40.5 | Very low | 38.7 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -78.3 | 149 | 156.2 | -79 | -79.1 | 0 | 0 | 0 | 109.2 | ||||
| 205 | P | 44.4 | Very low | 38.4 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | -150.1 | 144.6 | 96.8 | 37 | -19.5 | 0 | 0 | 0 | 117.3 | |||||
| 206 | A | 36.6 | Very low | 38.9 | Very low | 86 Ų | 86 | 134.7 Ų | 134.7 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | 41.1 | 131.4 | 135.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 207 | S | 45 | Very low | 38.5 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | 57.2 | 97.2 | 136.3 | -61.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 208 | G | 32.7 | Very low | 39 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -143.4 | 82.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 209 | A | 44.8 | Very low | 39.4 | Very low | 99 Ų | 99 | 136 Ų | 136 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -83.1 | 128.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 210 | K | 42.3 | Very low | 40.1 | Very low | 206 Ų | 206 | 139 Ų | 139 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -149.9 | 115.2 | 144.7 | -77.3 | -147.6 | 176.5 | -176.4 | 0 | 113.9 | R212 | K210-R212 PolarHBondContact O-N 3.49Š| ||
| 211 | L | 38.7 | Very low | 41.2 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -13.3 | 117.4 | 146.5 | 178.6 | 69.2 | 0 | 0 | 0 | 115.5 | Q213 | L211-Q213 HydrophobicContact CD2-CG 3.99Å; L211-Q213 HydrophobicContact CG-CG 4.2Å; L211-Q213 PolarHBondContact O-N 3.32Å | ||
| 212 | R | 39.2 | Very low | 42.2 | Very low | 243 Ų | 243 | 144.3 Ų | 144.3 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | -78 | 109.9 | 155.8 | -91.7 | -173.3 | 171.5 | -96.2 | -0.1 | 108.9 | K210 | K210-R212 PolarHBondContact O-N 3.49Š| ||
| 213 | Q | 46.4 | Very low | 42.5 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 74% | 0.738 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 133.3 | 172.2 | -67.9 | 176.8 | -17.6 | 0 | 0 | 110.2 | L211 | L211-Q213 HydrophobicContact CD2-CG 3.99Å; L211-Q213 HydrophobicContact CG-CG 4.2Å; L211-Q213 PolarHBondContact O-N 3.32Å |
| 214 | G | 43.1 | Very low | 42.8 | Very low | 79 Ų | 79 | 146.2 Ų | 146.2 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78 | 127.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 215 | F | 36.1 | Very low | 42.9 | Very low | 194 Ų | 194 | 145.4 Ų | 145.4 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 141 | 178.9 | -142.6 | -95.2 | 0 | 0 | 0 | 111.8 | ||
| 216 | S | 44.7 | Very low | 42.9 | Very low | 82 Ų | 82 | 147.1 Ų | 147.1 | 57% | 0.573 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 151.6 | -165.5 | 49.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 217 | K | 39 | Very low | 43.2 | Very low | 214 Ų | 214 | 150.9 Ų | 150.9 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | trans | -128.5 | 109.2 | 141 | -81.5 | -163 | 172.8 | -174.3 | 0 | 109.5 | ||||
| 218 | S | 41.8 | Very low | 43.1 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | trans | -74.3 | 135.2 | 173 | -45.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 219 | S | 44 | Very low | 43.9 | Very low | 129 Ų | 129 | 157.4 Ų | 157.4 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -92.8 | 142.5 | 147.9 | -75.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 220 | K | 48.8 | Very low | 43.8 | Very low | 180 Ų | 180 | 161.8 Ų | 161.8 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | trans | -128.1 | 113.7 | -170.6 | 170 | -172.4 | 169.3 | -174.8 | 0 | 109.2 | ||||
| 221 | K | 53.6 | Low | 43.9 | Very low | 163 Ų | 163 | 158.2 Ų | 158.2 | 71% | 0.709 | 82% | 0.818 | S | S | * | * | trans | 61.5 | 167.8 | 152.1 | -74.7 | -177.4 | 141.9 | -109 | 0 | 117.5 | ||||
| 222 | D | 51.7 | Low | 44.4 | Very low | 205 Ų | 205 | 159.5 Ų | 159.5 | 100% | 1.096 | 82% | 0.824 | S | S | * | * | cis | -109.3 | 0 | -5.1 | -78.9 | -77.1 | 0 | 0 | 0 | 111.5 |
Retrieved 222 of 222 residues in 47.3 ms
(Link to these results)