| 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 | 64.2 | Low | 90.1 | Very high | 210 Ų | 210 | 102.1 Ų | 102.1 | 100% | 1.034 | 56% | 0.555 | S | S | * | * | 0 | 133.9 | 0 | -76.6 | -63.3 | -170.6 | 0 | 0 | 107.6 | |||||
| 2 | D | 89.4 | Confident | 90.5 | Very high | 103 Ų | 103 | 101.3 Ų | 101.3 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | trans | -62.4 | 130.2 | 170.1 | -174.4 | -29.7 | 0 | 0 | 0 | 108.9 | L4 R5 A6 | D2-L4 PolarHBondContact O-N 3.09Å; D2-L4 PolarHBondContact OD1-N 2.76Å; D2-R5 HydrophobicContact CB-CB 4.22Å; D2-R5 WeakPolarHBondContact O-CB 3.34Å; D2-R5 PolarHBondContact O-N 2.06Å; D2-A6 PolarHBondContact O-N 2.98Å; D2-A6 VanDerWaalsContact O-N 3.13Å | ||
| 3 | P | 88.9 | Confident | 90.9 | Very high | 104 Ų | 104 | 100.9 Ų | 100.9 | 68% | 0.675 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -49.9 | -37.4 | 176.3 | -28.2 | 34.9 | 0 | 0 | 0 | 113.8 | R5 A6 Q7 | P3-R5 VanDerWaalsContact C-N 3.34Å; P3-R5 PolarHBondContact O-N 3.36Å; P3-A6 PolarHBondContact O-N 2.76Å; P3-Q7 PolarHBondContact O-N 3.2Å |
| 4 | L | 91.2 | Very high | 91.3 | Very high | 101 Ų | 101 | 102.7 Ų | 102.7 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 178.5 | -178.7 | 63.6 | 0 | 0 | 0 | 111.5 | D2 Q7 Q8 | D2-L4 PolarHBondContact O-N 3.09Å; D2-L4 PolarHBondContact OD1-N 2.76Å; L4-Q7 PolarHBondContact O-N 3.08Å; L4-Q8 WeakPolarHBondContact O-CG 3.28Å; L4-Q8 PolarHBondContact O-N 3.19Å |
| 5 | R | 92.6 | Very high | 91.6 | Very high | 126 Ų | 126 | 102.5 Ų | 102.5 | 48% | 0.475 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.6 | -37 | 178.1 | -175.4 | 59.9 | 176.7 | 160 | 6.2 | 111.8 | D2 P3 Q8 L9 | D2-R5 HydrophobicContact CB-CB 4.22Å; D2-R5 WeakPolarHBondContact O-CB 3.34Å; D2-R5 PolarHBondContact O-N 2.06Å; P3-R5 VanDerWaalsContact C-N 3.34Å; P3-R5 PolarHBondContact O-N 3.36Å; R5-Q8 PolarHBondContact O-N 2.95Å; R5-L9 PolarHBondContact O-N 2.93Å |
| 6 | A | 93.1 | Very high | 92 | Very high | 53 Ų | 53 | 104.4 Ų | 104.4 | 44% | 0.438 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.9 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D2 P3 L9 A10 | D2-A6 PolarHBondContact O-N 2.98Å; D2-A6 VanDerWaalsContact O-N 3.13Å; P3-A6 PolarHBondContact O-N 2.76Å; A6-L9 PolarHBondContact O-N 3.04Å; A6-A10 PolarHBondContact O-N 3.4Å |
| 7 | Q | 93.1 | Very high | 92.1 | Very high | 140 Ų | 140 | 105.5 Ų | 105.5 | 65% | 0.654 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.9 | -41 | 176.4 | -173.6 | 177.5 | 0.3 | 0 | 0 | 112.3 | P3 L4 A10 A11 | P3-Q7 PolarHBondContact O-N 3.2Å; L4-Q7 PolarHBondContact O-N 3.08Å; Q7-A10 PolarHBondContact O-N 3.22Å; Q7-A11 PolarHBondContact O-N 3.13Å |
| 8 | Q | 94.5 | Very high | 92.3 | Very high | 86 Ų | 86 | 106.8 Ų | 106.8 | 40% | 0.402 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.5 | -46.3 | 174.3 | -75.7 | 174.7 | -16.4 | 0 | 0 | 111.8 | L4 R5 A10 A11 E12 | L4-Q8 WeakPolarHBondContact O-CG 3.28Å; L4-Q8 PolarHBondContact O-N 3.19Å; R5-Q8 PolarHBondContact O-N 2.95Å; Q8-A10 VanDerWaalsContact C-N 3.33Å; Q8-A10 PolarHBondContact O-N 3.24Å; Q8-A11 PolarHBondContact O-N 3.24Å; Q8-E12 WeakPolarHBondContact O-CG 3.24Å; Q8-E12 PolarHBondContact O-N 3.38Å |
| 9 | L | 94.2 | Very high | 92.6 | Very high | 103 Ų | 103 | 103.7 Ų | 103.7 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.7 | -39.4 | 179.3 | -176.6 | 65.5 | 0 | 0 | 0 | 112 | R5 A6 E12 L13 | R5-L9 PolarHBondContact O-N 2.93Å; A6-L9 PolarHBondContact O-N 3.04Å; L9-E12 PolarHBondContact O-N 2.87Å; L9-L13 WeakPolarHBondContact O-CB 3.24Å; L9-L13 PolarHBondContact O-N 3.03Å |
| 10 | A | 94 | Very high | 92.8 | Very high | 49 Ų | 49 | 102.4 Ų | 102.4 | 41% | 0.405 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A6 Q7 Q8 L13 E14 | A6-A10 PolarHBondContact O-N 3.4Å; Q7-A10 PolarHBondContact O-N 3.22Å; Q8-A10 VanDerWaalsContact C-N 3.33Å; Q8-A10 PolarHBondContact O-N 3.24Å; A10-L13 PolarHBondContact O-N 3.17Å; A10-E14 WeakPolarHBondContact O-CG 3.46Å; A10-E14 PolarHBondContact O-N 3.1Å |
| 11 | A | 95.5 | Very high | 93 | Very high | 48 Ų | 48 | 99.2 Ų | 99.2 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q7 Q8 L13 E14 V15 | Q7-A11 PolarHBondContact O-N 3.13Å; Q8-A11 PolarHBondContact O-N 3.24Å; A11-L13 VanDerWaalsContact C-N 3.33Å; A11-L13 PolarHBondContact O-N 2.97Å; A11-E14 PolarHBondContact O-N 2.79Å; A11-V15 WeakPolarHBondContact O-CG2 3.38Å; A11-V15 PolarHBondContact O-N 3.29Å |
| 12 | E | 95.5 | Very high | 94.6 | Very high | 92 Ų | 92 | 95.8 Ų | 95.8 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.3 | -46.7 | 173.9 | -74 | 168.4 | -170.9 | 0 | 0 | 110.7 | Q8 L9 E14 V15 E16 | Q8-E12 WeakPolarHBondContact O-CG 3.24Å; Q8-E12 PolarHBondContact O-N 3.38Å; L9-E12 PolarHBondContact O-N 2.87Å; E12-E14 PolarHBondContact O-N 3.38Å; E12-V15 PolarHBondContact O-N 3.23Å; E12-E16 WeakPolarHBondContact O-CG 3.04Å; E12-E16 PolarHBondContact O-N 3.5Å; E12-E16 VanDerWaalsContact O-N 3.07Å |
| 13 | L | 95.7 | Very high | 95 | Very high | 97 Ų | 97 | 95.7 Ų | 95.7 | 51% | 0.508 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 177.1 | -176.9 | 66.4 | 0 | 0 | 0 | 112.2 | L9 A10 A11 V15 E16 M17 | L9-L13 WeakPolarHBondContact O-CB 3.24Å; L9-L13 PolarHBondContact O-N 3.03Å; A10-L13 PolarHBondContact O-N 3.17Å; A11-L13 VanDerWaalsContact C-N 3.33Å; A11-L13 PolarHBondContact O-N 2.97Å; L13-V15 VanDerWaalsContact C-N 3.31Å; L13-V15 PolarHBondContact O-N 3.46Å; L13-E16 PolarHBondContact O-N 3.02Å; L13-M17 HydrophobicContact CG-CG 4.49Å; L13-M17 HydrophobicContact CG-SD 4.18Å; L13-M17 WeakPolarHBondContact O-CB 3.46Å; L13-M17 VanDerWaalsContact O-CG 3.28Å; L13-M17 WeakPolarHBondContact O-CG 3.33Å; L13-M17 PolarHBondContact O-N 2.82Å |
| 14 | E | 95.6 | Very high | 95.5 | Very high | 126 Ų | 126 | 98 Ų | 98 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59 | -43 | 176.7 | -77 | 176.3 | -175.3 | 0 | 0 | 111.8 | A10 A11 E12 M17 M18 | A10-E14 WeakPolarHBondContact O-CG 3.46Å; A10-E14 PolarHBondContact O-N 3.1Å; A11-E14 PolarHBondContact O-N 2.79Å; E12-E14 PolarHBondContact O-N 3.38Å; E14-M17 PolarHBondContact O-N 3.22Å; E14-M18 WeakPolarHBondContact O-CB 3.45Å; E14-M18 VanDerWaalsContact O-CG 3.31Å; E14-M18 WeakPolarHBondContact O-CG 3.12Å; E14-M18 PolarHBondContact O-N 3.46Å |
| 15 | V | 97 | Very high | 95.8 | Very high | 99 Ų | 99 | 94.1 Ų | 94.1 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.9 | -44.4 | 177.6 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | A11 E12 L13 M17 M18 A19 | A11-V15 WeakPolarHBondContact O-CG2 3.38Å; A11-V15 PolarHBondContact O-N 3.29Å; E12-V15 PolarHBondContact O-N 3.23Å; L13-V15 VanDerWaalsContact C-N 3.31Å; L13-V15 PolarHBondContact O-N 3.46Å; V15-M17 PolarHBondContact O-N 3.27Å; V15-M18 PolarHBondContact O-N 2.05Å; V15-A19 WeakPolarHBondContact O-CB 3.29Å; V15-A19 PolarHBondContact O-N 3.46Å |
| 16 | E | 96.7 | Very high | 96.1 | Very high | 133 Ų | 133 | 91 Ų | 91 | 62% | 0.621 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.6 | -44 | 177.3 | -72.3 | -179.3 | -178.6 | 0 | 0 | 111.9 | E12 L13 A19 D20 | E12-E16 WeakPolarHBondContact O-CG 3.04Å; E12-E16 PolarHBondContact O-N 3.5Å; E12-E16 VanDerWaalsContact O-N 3.07Å; L13-E16 PolarHBondContact O-N 3.02Å; E16-A19 PolarHBondContact O-N 2.89Å; E16-D20 PolarHBondContact O-N 2.86Å |
| 17 | M | 94.4 | Very high | 96.3 | Very high | 123 Ų | 123 | 92 Ų | 92 | 61% | 0.606 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.4 | -43.9 | 176.3 | -71.3 | -179.3 | 69.5 | 0 | 0 | 111.8 | L13 E14 V15 A19 D20 M21 | L13-M17 HydrophobicContact CG-CG 4.49Å; L13-M17 HydrophobicContact CG-SD 4.18Å; L13-M17 WeakPolarHBondContact O-CB 3.46Å; L13-M17 VanDerWaalsContact O-CG 3.28Å; L13-M17 WeakPolarHBondContact O-CG 3.33Å; L13-M17 PolarHBondContact O-N 2.82Å; E14-M17 PolarHBondContact O-N 3.22Å; V15-M17 PolarHBondContact O-N 3.27Å; M17-A19 VanDerWaalsContact C-N 3.32Å; M17-A19 PolarHBondContact O-N 3.16Å; M17-D20 PolarHBondContact O-N 3.36Å; M17-M21 WeakPolarHBondContact O-CB 3.44Å; M17-M21 PolarHBondContact O-N 2.9Å |
| 18 | M | 96 | Very high | 96.6 | Very high | 129 Ų | 129 | 86 Ų | 86 | 64% | 0.635 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63 | -38.6 | 176.2 | -74.4 | -176.8 | 68.4 | 0 | 0 | 111.9 | E14 V15 Y22 | E14-M18 WeakPolarHBondContact O-CB 3.45Å; E14-M18 VanDerWaalsContact O-CG 3.31Å; E14-M18 WeakPolarHBondContact O-CG 3.12Å; E14-M18 PolarHBondContact O-N 3.46Å; V15-M18 PolarHBondContact O-N 2.05Å; M18-Y22 VanDerWaalsContact O-CB 3.27Å; M18-Y22 WeakPolarHBondContact O-CB 3.42Å; M18-Y22 PolarHBondContact O-N 3.45Å |
| 19 | A | 97.5 | Very high | 96.8 | Very high | 48 Ų | 48 | 82.1 Ų | 82.1 | 40% | 0.397 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V15 E16 M17 Y22 N23 | V15-A19 WeakPolarHBondContact O-CB 3.29Å; V15-A19 PolarHBondContact O-N 3.46Å; E16-A19 PolarHBondContact O-N 2.89Å; M17-A19 VanDerWaalsContact C-N 3.32Å; M17-A19 PolarHBondContact O-N 3.16Å; A19-Y22 PolarHBondContact O-N 2.85Å; A19-N23 WeakPolarHBondContact O-CB 3.3Å; A19-N23 VanDerWaalsContact O-CG 3.29Å; A19-N23 PolarHBondContact O-N 2.96Å; A19-N23 PolarHBondContact O-ND2 3.48Å; A19-N23 VanDerWaalsContact O-ND2 3.09Å |
| 20 | D | 97.2 | Very high | 97 | Very high | 77 Ų | 77 | 81.4 Ų | 81.4 | 41% | 0.412 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 174.8 | 176.7 | 74.1 | 0 | 0 | 0 | 111.2 | E16 M17 Y22 N23 R24 | E16-D20 PolarHBondContact O-N 2.86Å; M17-D20 PolarHBondContact O-N 3.36Å; D20-Y22 VanDerWaalsContact C-N 3.35Å; D20-Y22 PolarHBondContact O-N 3.48Å; D20-N23 PolarHBondContact O-N 3.41Å; D20-R24 WeakPolarHBondContact O-CG 3.44Å; D20-R24 PolarHBondContact O-N 3.04Å; D20-R24 IonicContact OD1-CZ 3.57Å; D20-R24 IonicContact OD1-NE 2.94Å; D20-R24 PolarHBondContact OD1-NE 2.84Å; D20-R24 IonicContact OD1-NH2 3.25Å; D20-R24 PolarHBondContact OD1-NH2 3.32Å; D20-R24 WeakPolarHBondContact OD2-CD 3.31Å; D20-R24 IonicContact OD2-CZ 3.5Å; D20-R24 IonicContact OD2-NE 2.79Å; D20-R24 PolarHBondContact OD2-NE 3.37Å; D20-R24 IonicContact OD2-NH2 3.57Å |
| 21 | M | 96.8 | Very high | 97.2 | Very high | 36 Ų | 36 | 87.6 Ų | 87.6 | 18% | 0.177 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -57.3 | -47.8 | 175.9 | -174 | -159.7 | 73.6 | 0 | 0 | 111.4 | M17 N23 R24 M25 Y58 L59 | M17-M21 WeakPolarHBondContact O-CB 3.44Å; M17-M21 PolarHBondContact O-N 2.9Å; M21-N23 PolarHBondContact O-N 3.27Å; M21-R24 PolarHBondContact O-N 3.14Å; M21-M25 VanDerWaalsContact O-CB 3.26Å; M21-M25 WeakPolarHBondContact O-CB 3.28Å; M21-M25 PolarHBondContact O-N 3.03Å; M21-Y58 HydrophobicContact CG-CE1 4.05Å; M21-L59 HydrophobicContact CE-CD2 4.04Å; M21-L59 HydrophobicContact SD-CD2 4.26Å |
| 22 | Y | 98.1 | Very high | 97.3 | Very high | 138 Ų | 138 | 92 Ų | 92 | 54% | 0.541 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 179.7 | 178 | -95.5 | 0 | 0 | 0 | 112.1 | M18 A19 D20 M25 T26 | M18-Y22 VanDerWaalsContact O-CB 3.27Å; M18-Y22 WeakPolarHBondContact O-CB 3.42Å; M18-Y22 PolarHBondContact O-N 3.45Å; A19-Y22 PolarHBondContact O-N 2.85Å; D20-Y22 VanDerWaalsContact C-N 3.35Å; D20-Y22 PolarHBondContact O-N 3.48Å; Y22-M25 HydrophobicContact CD2-CE 4.18Å; Y22-M25 PolarHBondContact O-N 3.03Å; Y22-T26 VanDerWaalsContact O-CB 3.28Å; Y22-T26 WeakPolarHBondContact O-CB 3.3Å; Y22-T26 PolarHBondContact O-N 2.98Å; Y22-T26 PolarHBondContact O-OG1 2.87Å |
| 23 | N | 98.1 | Very high | 97.4 | Very high | 102 Ų | 102 | 88.1 Ų | 88.1 | 55% | 0.545 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 178.9 | -73.5 | -34.6 | 0 | 0 | 0 | 111.8 | A19 D20 M21 S27 | A19-N23 WeakPolarHBondContact O-CB 3.3Å; A19-N23 VanDerWaalsContact O-CG 3.29Å; A19-N23 PolarHBondContact O-N 2.96Å; A19-N23 PolarHBondContact O-ND2 3.48Å; A19-N23 VanDerWaalsContact O-ND2 3.09Å; D20-N23 PolarHBondContact O-N 3.41Å; M21-N23 PolarHBondContact O-N 3.27Å; N23-S27 WeakPolarHBondContact O-CB 3.06Å; N23-S27 PolarHBondContact O-N 3.43Å |
| 24 | R | 98 | Very high | 97.5 | Very high | 152 Ų | 152 | 84.1 Ų | 84.1 | 57% | 0.574 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.4 | -44 | 177.2 | -69.8 | 175.7 | -172.5 | -118.7 | 1.3 | 112.1 | D20 M21 S27 A28 Y58 | D20-R24 WeakPolarHBondContact O-CG 3.44Å; D20-R24 PolarHBondContact O-N 3.04Å; D20-R24 IonicContact OD1-CZ 3.57Å; D20-R24 IonicContact OD1-NE 2.94Å; D20-R24 PolarHBondContact OD1-NE 2.84Å; D20-R24 IonicContact OD1-NH2 3.25Å; D20-R24 PolarHBondContact OD1-NH2 3.32Å; D20-R24 WeakPolarHBondContact OD2-CD 3.31Å; D20-R24 IonicContact OD2-CZ 3.5Å; D20-R24 IonicContact OD2-NE 2.79Å; D20-R24 PolarHBondContact OD2-NE 3.37Å; D20-R24 IonicContact OD2-NH2 3.57Å; M21-R24 PolarHBondContact O-N 3.14Å; R24-S27 PolarHBondContact O-N 3.39Å; R24-A28 VanDerWaalsContact O-CB 3.24Å; R24-A28 WeakPolarHBondContact O-CB 3.48Å; R24-A28 PolarHBondContact O-N 2.78Å; R24-Y58 WeakPolarHBondContact CB-OH 3.46Å |
| 25 | M | 98.6 | Very high | 97.5 | Very high | 19 Ų | 19 | 81.5 Ų | 81.5 | 9% | 0.094 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.1 | -50 | 176.8 | -177.4 | 176.7 | 64.9 | 0 | 0 | 110.9 | M21 Y22 S27 A28 C29 V55 Y58 L59 | M21-M25 VanDerWaalsContact O-CB 3.26Å; M21-M25 WeakPolarHBondContact O-CB 3.28Å; M21-M25 PolarHBondContact O-N 3.03Å; Y22-M25 HydrophobicContact CD2-CE 4.18Å; Y22-M25 PolarHBondContact O-N 3.03Å; M25-S27 PolarHBondContact O-N 3Å; M25-A28 PolarHBondContact O-N 2.88Å; M25-C29 WeakPolarHBondContact O-CB 3.3Å; M25-C29 PolarHBondContact O-N 3.01Å; M25-V55 HydrophobicContact CE-CG1 4.48Å; M25-V55 HydrophobicContact SD-CB 4.49Å; M25-V55 HydrophobicContact SD-CG1 3.96Å; M25-V55 HydrophobicContact SD-CG2 4.37Å; M25-Y58 HydrophobicContact CB-CD1 3.7Å; M25-Y58 HydrophobicContact CB-CD2 4.24Å; M25-Y58 HydrophobicContact CB-CE1 3.57Å; M25-Y58 HydrophobicContact CB-CE2 4.11Å; M25-Y58 HydrophobicContact CB-CG 4.05Å; M25-Y58 HydrophobicContact CG-CD1 3.56Å; M25-Y58 HydrophobicContact CG-CD2 4.11Å; M25-Y58 HydrophobicContact CG-CE1 4Å; M25-Y58 HydrophobicContact CG-CE2 4.49Å; M25-Y58 HydrophobicContact CG-CG 3.63Å; M25-Y58 HydrophobicContact SD-CD1 3.8Å; M25-Y58 HydrophobicContact SD-CE1 4.46Å; M25-Y58 HydrophobicContact SD-CG 4.23Å; M25-L59 HydrophobicContact SD-CD2 4.09Å; M25-L59 HydrophobicContact SD-CG 4.23Å |
| 26 | T | 98.3 | Very high | 97.3 | Very high | 61 Ų | 61 | 81.8 Ų | 81.8 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 179.9 | -59 | 0 | 0 | 0 | 0 | 110.7 | Y22 A28 C29 H30 | Y22-T26 VanDerWaalsContact O-CB 3.28Å; Y22-T26 WeakPolarHBondContact O-CB 3.3Å; Y22-T26 PolarHBondContact O-N 2.98Å; Y22-T26 PolarHBondContact O-OG1 2.87Å; T26-A28 PolarHBondContact O-N 2.82Å; T26-C29 PolarHBondContact O-N 3.46Å; T26-H30 WeakPolarHBondContact O-CB 3.41Å; T26-H30 PolarHBondContact O-N 2.89Å |
| 27 | S | 98.2 | Very high | 97.2 | Very high | 73 Ų | 73 | 83 Ų | 83 | 51% | 0.51 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.7 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | N23 R24 M25 R31 | N23-S27 WeakPolarHBondContact O-CB 3.06Å; N23-S27 PolarHBondContact O-N 3.43Å; R24-S27 PolarHBondContact O-N 3.39Å; M25-S27 PolarHBondContact O-N 3Å; S27-R31 VanDerWaalsContact O-CB 3.31Å; S27-R31 WeakPolarHBondContact O-CB 3.21Å; S27-R31 PolarHBondContact O-N 3.25Å |
| 28 | A | 98.6 | Very high | 97.1 | Very high | 15 Ų | 15 | 83.9 Ų | 83.9 | 12% | 0.124 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R24 M25 T26 K32 Y58 | R24-A28 VanDerWaalsContact O-CB 3.24Å; R24-A28 WeakPolarHBondContact O-CB 3.48Å; R24-A28 PolarHBondContact O-N 2.78Å; M25-A28 PolarHBondContact O-N 2.88Å; T26-A28 PolarHBondContact O-N 2.82Å; A28-K32 WeakPolarHBondContact O-CB 3.24Å; A28-K32 WeakPolarHBondContact O-CG 3.04Å; A28-K32 PolarHBondContact O-N 2.87Å; A28-K32 VanDerWaalsContact O-N 3.13Å; A28-Y58 HydrophobicContact CB-CE2 4.32Å |
| 29 | C | 98.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 87.7 Ų | 87.7 | 3% | 0.027 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -75.2 | -38.6 | -179 | -70.2 | 0 | 0 | 0 | 0 | 112.6 | M25 T26 R31 K32 C33 L51 C54 | M25-C29 WeakPolarHBondContact O-CB 3.3Å; M25-C29 PolarHBondContact O-N 3.01Å; T26-C29 PolarHBondContact O-N 3.46Å; C29-R31 PolarHBondContact O-N 2.79Å; C29-K32 PolarHBondContact O-N 3.47Å; C29-C33 VanDerWaalsContact O-CB 3.29Å; C29-C33 WeakPolarHBondContact O-CB 3.3Å; C29-C33 PolarHBondContact O-N 3.07Å; C29-L51 HydrophobicContact CB-CD2 4.13Å; C29-C54 WeakPolarHBondContact CA-SG 3.27Å; C29-C54 HydrophobicContact CB-CB 3.84Å; C29-C54 WeakPolarHBondContact CB-SG 3.35Å; C29-C54 VanDerWaalsContact SG-C 3.5Å; C29-C54 WeakPolarHBondContact SG-CB 3.5Å; C29-C54 CovalentContact SG-SG 2.05Å; C29-C54 PolarHBondContact SG-SG 2.94Å |
| 30 | H | 97.8 | Very high | 96.7 | Very high | 88 Ų | 88 | 90.9 Ų | 90.9 | 41% | 0.407 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.5 | -50.5 | 170.5 | -177.7 | -95 | 0 | 0 | 0 | 110.7 | T26 K32 C33 V34 Y38 | T26-H30 WeakPolarHBondContact O-CB 3.41Å; T26-H30 PolarHBondContact O-N 2.89Å; H30-K32 VanDerWaalsContact C-N 3.27Å; H30-K32 PolarHBondContact O-N 3.46Å; H30-C33 PolarHBondContact O-N 3.47Å; H30-V34 PolarHBondContact O-N 2.9Å; H30-Y38 PolarHBondContact CE1-OH 3.28Å; H30-Y38 PolarHBondContact NE2-OH 3.43Å |
| 31 | R | 97.9 | Very high | 96.5 | Very high | 180 Ų | 180 | 92.3 Ų | 92.3 | 68% | 0.679 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60 | -33.6 | 178.6 | -170 | -179.9 | 77.7 | -127.1 | 8.4 | 113.7 | S27 C29 | S27-R31 VanDerWaalsContact O-CB 3.31Å; S27-R31 WeakPolarHBondContact O-CB 3.21Å; S27-R31 PolarHBondContact O-N 3.25Å; C29-R31 PolarHBondContact O-N 2.79Å |
| 32 | K | 98.4 | Very high | 96.4 | Very high | 139 Ų | 139 | 97.9 Ų | 97.9 | 60% | 0.604 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -84.8 | -33.9 | -176.9 | -74.5 | 173.4 | -176.6 | -179 | 0 | 113.2 | A28 C29 H30 | A28-K32 WeakPolarHBondContact O-CB 3.24Å; A28-K32 WeakPolarHBondContact O-CG 3.04Å; A28-K32 PolarHBondContact O-N 2.87Å; A28-K32 VanDerWaalsContact O-N 3.13Å; C29-K32 PolarHBondContact O-N 3.47Å; H30-K32 VanDerWaalsContact C-N 3.27Å; H30-K32 PolarHBondContact O-N 3.46Å |
| 33 | C | 98.4 | Very high | 96.4 | Very high | 12 Ų | 12 | 95.5 Ų | 95.5 | 8% | 0.081 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -111 | -23.4 | -166.9 | -68.6 | 0 | 0 | 0 | 0 | 114.1 | C29 H30 E47 C50 L51 | C29-C33 VanDerWaalsContact O-CB 3.29Å; C29-C33 WeakPolarHBondContact O-CB 3.3Å; C29-C33 PolarHBondContact O-N 3.07Å; H30-C33 PolarHBondContact O-N 3.47Å; C33-E47 WeakPolarHBondContact O-CG 3.42Å; C33-C50 WeakPolarHBondContact CA-SG 3.49Å; C33-C50 HydrophobicContact CB-CB 3.63Å; C33-C50 WeakPolarHBondContact CB-SG 3.47Å; C33-C50 WeakPolarHBondContact SG-CB 3.32Å; C33-C50 PolarHBondContact SG-O 3.25Å; C33-C50 CovalentContact SG-SG 2.06Å; C33-C50 PolarHBondContact SG-SG 2.97Å; C33-L51 HydrophobicContact CB-CD2 3.8Å; C33-L51 HydrophobicContact CB-CG 3.9Å |
| 34 | V | 97.4 | Very high | 96.3 | Very high | 13 Ų | 13 | 92.3 Ų | 92.3 | 8% | 0.079 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -114.7 | 106.7 | -176 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | H30 Y38 L43 L51 | H30-V34 PolarHBondContact O-N 2.9Å; V34-Y38 HydrophobicContact CG1-CD1 4.26Å; V34-Y38 HydrophobicContact CG1-CE1 3.47Å; V34-Y38 VanDerWaalsContact CG1-CE1 3.47Å; V34-L43 HydrophobicContact CG2-CD2 4.19Å; V34-L51 HydrophobicContact CG2-CD1 4.37Å; V34-L51 HydrophobicContact CG2-CD2 4.43Å |
| 35 | P | 94.4 | Very high | 96.2 | Very high | 70 Ų | 70 | 93.8 Ų | 93.8 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | trans | -60.9 | 148.6 | 177.6 | -21.8 | 33.9 | 0 | 0 | 0 | 111.6 | H37 E47 | P35-H37 PolarHBondContact O-N 3.06Å; P35-H37 VanDerWaalsContact O-N 3.09Å; P35-E47 WeakPolarHBondContact CD-OE1 3.44Å | ||
| 36 | P | 93.8 | Very high | 96.1 | Very high | 105 Ų | 105 | 95.3 Ų | 95.3 | 68% | 0.682 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -66.6 | -13.8 | -179.8 | 27.7 | -35.7 | 0 | 0 | 0 | 113.7 | Y38 | P36-Y38 WeakPolarHBondContact O-CD2 3.44Å; P36-Y38 WeakPolarHBondContact O-CE2 3.34Å |
| 37 | H | 94.1 | Very high | 96.1 | Very high | 159 Ų | 159 | 93.9 Ų | 93.9 | 74% | 0.736 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -98.8 | 92.1 | 176.9 | -63.5 | -62.4 | 0 | 0 | 0 | 110.5 | P35 K39 | P35-H37 PolarHBondContact O-N 3.06Å; P35-H37 VanDerWaalsContact O-N 3.09Å; H37-K39 PolarHBondContact O-N 3.5Å |
| 38 | Y | 93.5 | Very high | 96.1 | Very high | 142 Ų | 142 | 92.4 Ų | 92.4 | 56% | 0.557 | 47% | 0.474 | S | S | * | . | trans | -73.5 | 114.1 | 177.1 | -56.2 | -91.1 | 0 | 0 | 0 | 110.2 | H30 V34 P36 | H30-Y38 PolarHBondContact CE1-OH 3.28Å; H30-Y38 PolarHBondContact NE2-OH 3.43Å; V34-Y38 HydrophobicContact CG1-CD1 4.26Å; V34-Y38 HydrophobicContact CG1-CE1 3.47Å; V34-Y38 VanDerWaalsContact CG1-CE1 3.47Å; P36-Y38 WeakPolarHBondContact O-CD2 3.44Å; P36-Y38 WeakPolarHBondContact O-CE2 3.34Å | ||
| 39 | K | 91.4 | Very high | 96.1 | Very high | 208 Ų | 208 | 94.5 Ų | 94.5 | 90% | 0.904 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -90.7 | -24.3 | 176.1 | -65.9 | -176.4 | -179.8 | 179.6 | 0 | 112.6 | H37 | H37-K39 PolarHBondContact O-N 3.5Š|
| 40 | E | 92.4 | Very high | 96.1 | Very high | 115 Ų | 115 | 96.5 Ų | 96.5 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -141.1 | 157.1 | -177.1 | 48 | -172.5 | -169.8 | 0 | 0 | 109.3 | S44 | E40-S44 VanDerWaalsContact OE1-CB 3.24Å; E40-S44 WeakPolarHBondContact OE1-CB 3.2Å |
| 41 | A | 92.9 | Very high | 96.2 | Very high | 107 Ų | 107 | 94 Ų | 94 | 88% | 0.884 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -77.9 | -25.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 42 | E | 96.1 | Very high | 96.2 | Very high | 154 Ų | 154 | 91 Ų | 91 | 72% | 0.72 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -98.1 | 157.6 | -178.8 | -64.7 | -60 | 149.9 | 0 | 0 | 111 | S44 | E42-S44 PolarHBondContact O-N 3.49Š|
| 43 | L | 96.4 | Very high | 96.2 | Very high | 87 Ų | 87 | 92.3 Ų | 92.3 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 127.1 | 172.4 | -65.8 | 171.4 | 0 | 0 | 0 | 110.2 | V34 E47 S48 L51 | V34-L43 HydrophobicContact CG2-CD2 4.19Å; L43-E47 HydrophobicContact CB-CB 4.38Å; L43-E47 HydrophobicContact CD2-CB 4.01Å; L43-S48 WeakPolarHBondContact CB-OG 3.4Å; L43-L51 HydrophobicContact CD1-CD1 3.63Å; L43-L51 HydrophobicContact CD2-CD1 3.95Å; L43-L51 HydrophobicContact CG-CD1 4.44Å |
| 44 | S | 96.5 | Very high | 96.2 | Very high | 35 Ų | 35 | 92.4 Ų | 92.4 | 25% | 0.245 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 155.9 | 167.5 | 69.9 | 0 | 0 | 0 | 0 | 110.3 | E40 E42 G46 E47 S48 | E40-S44 VanDerWaalsContact OE1-CB 3.24Å; E40-S44 WeakPolarHBondContact OE1-CB 3.2Å; E42-S44 PolarHBondContact O-N 3.49Å; S44-G46 PolarHBondContact O-N 2.89Å; S44-G46 VanDerWaalsContact O-N 3.08Å; S44-E47 VanDerWaalsContact CB-OE2 3.28Å; S44-E47 WeakPolarHBondContact CB-OE2 3.34Å; S44-E47 PolarHBondContact N-OE2 2.79Å; S44-E47 PolarHBondContact O-N 3.41Å; S44-E47 VanDerWaalsContact OG-CD 3.28Å; S44-E47 VanDerWaalsContact OG-CG 3.24Å; S44-E47 WeakPolarHBondContact OG-CG 3.26Å; S44-E47 PolarHBondContact OG-N 3.25Å; S44-E47 PolarHBondContact OG-OE2 2.94Å; S44-S48 PolarHBondContact O-N 3.31Å; S44-S48 PolarHBondContact O-OG 2.97Å |
| 45 | K | 96.6 | Very high | 96.3 | Very high | 183 Ų | 183 | 94.3 Ų | 94.3 | 80% | 0.796 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -52.8 | -34.8 | 174.3 | -175.1 | 177.3 | -179.3 | 178.6 | 0 | 112.6 | V49 | K45-V49 VanDerWaalsContact O-CG2 3.3Å; K45-V49 WeakPolarHBondContact O-CG2 3.34Å; K45-V49 PolarHBondContact O-N 2.95Å |
| 46 | G | 96.7 | Very high | 96.5 | Very high | 52 Ų | 52 | 94.7 Ų | 94.7 | 54% | 0.536 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.8 | -44.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S44 C50 | S44-G46 PolarHBondContact O-N 2.89Å; S44-G46 VanDerWaalsContact O-N 3.08Å; G46-C50 WeakPolarHBondContact O-CB 3.28Å; G46-C50 PolarHBondContact O-N 3.36Å |
| 47 | E | 98.2 | Very high | 96.8 | Very high | 30 Ų | 30 | 96.4 Ų | 96.4 | 14% | 0.14 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 177.4 | -69.8 | 162.6 | 141 | 0 | 0 | 111.1 | C33 P35 L43 S44 V49 C50 L51 | C33-E47 WeakPolarHBondContact O-CG 3.42Å; P35-E47 WeakPolarHBondContact CD-OE1 3.44Å; L43-E47 HydrophobicContact CB-CB 4.38Å; L43-E47 HydrophobicContact CD2-CB 4.01Å; S44-E47 VanDerWaalsContact CB-OE2 3.28Å; S44-E47 WeakPolarHBondContact CB-OE2 3.34Å; S44-E47 PolarHBondContact N-OE2 2.79Å; S44-E47 PolarHBondContact O-N 3.41Å; S44-E47 VanDerWaalsContact OG-CD 3.28Å; S44-E47 VanDerWaalsContact OG-CG 3.24Å; S44-E47 WeakPolarHBondContact OG-CG 3.26Å; S44-E47 PolarHBondContact OG-N 3.25Å; S44-E47 PolarHBondContact OG-OE2 2.94Å; E47-V49 PolarHBondContact O-N 3.09Å; E47-C50 WeakPolarHBondContact O-CB 3.26Å; E47-C50 PolarHBondContact O-N 2.99Å; E47-C50 VanDerWaalsContact O-N 3.16Å; E47-L51 WeakPolarHBondContact O-CB 3.34Å; E47-L51 VanDerWaalsContact O-CG 3.3Å; E47-L51 WeakPolarHBondContact O-CG 3.48Å; E47-L51 PolarHBondContact O-N 3.4Å |
| 48 | S | 98.1 | Very high | 97 | Very high | 43 Ų | 43 | 91.3 Ų | 91.3 | 30% | 0.301 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.2 | -50 | 177.9 | -55.8 | 0 | 0 | 0 | 0 | 112 | L43 S44 C50 L51 D52 | L43-S48 WeakPolarHBondContact CB-OG 3.4Å; S44-S48 PolarHBondContact O-N 3.31Å; S44-S48 PolarHBondContact O-OG 2.97Å; S48-C50 VanDerWaalsContact C-N 3.3Å; S48-C50 PolarHBondContact O-N 2.98Å; S48-L51 PolarHBondContact O-N 3.23Å; S48-D52 PolarHBondContact O-N 2.87Å |
| 49 | V | 98.7 | Very high | 97.2 | Very high | 58 Ų | 58 | 88.1 Ų | 88.1 | 35% | 0.352 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.8 | -34.9 | 177.7 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | K45 E47 R53 | K45-V49 VanDerWaalsContact O-CG2 3.3Å; K45-V49 WeakPolarHBondContact O-CG2 3.34Å; K45-V49 PolarHBondContact O-N 2.95Å; E47-V49 PolarHBondContact O-N 3.09Å; V49-R53 VanDerWaalsContact O-CG 3.28Å; V49-R53 WeakPolarHBondContact O-CG 3.46Å; V49-R53 PolarHBondContact O-N 3.39Å |
| 50 | C | 98.8 | Very high | 97.6 | Very high | 46 Ų | 46 | 81 Ų | 81 | 31% | 0.311 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 174.3 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | C33 G46 E47 S48 D52 R53 C54 | C33-C50 WeakPolarHBondContact CA-SG 3.49Å; C33-C50 HydrophobicContact CB-CB 3.63Å; C33-C50 WeakPolarHBondContact CB-SG 3.47Å; C33-C50 WeakPolarHBondContact SG-CB 3.32Å; C33-C50 PolarHBondContact SG-O 3.25Å; C33-C50 CovalentContact SG-SG 2.06Å; C33-C50 PolarHBondContact SG-SG 2.97Å; G46-C50 WeakPolarHBondContact O-CB 3.28Å; G46-C50 PolarHBondContact O-N 3.36Å; E47-C50 WeakPolarHBondContact O-CB 3.26Å; E47-C50 PolarHBondContact O-N 2.99Å; E47-C50 VanDerWaalsContact O-N 3.16Å; S48-C50 VanDerWaalsContact C-N 3.3Å; S48-C50 PolarHBondContact O-N 2.98Å; C50-D52 PolarHBondContact O-N 3.44Å; C50-R53 PolarHBondContact O-N 2.93Å; C50-C54 VanDerWaalsContact O-CB 3.3Å; C50-C54 WeakPolarHBondContact O-CB 3.29Å; C50-C54 PolarHBondContact O-N 3.46Å |
| 51 | L | 98.8 | Very high | 97.8 | Very high | 37 Ų | 37 | 79.9 Ų | 79.9 | 19% | 0.194 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.3 | -47.6 | -179.8 | -74.3 | 167.4 | 0 | 0 | 0 | 110.9 | C29 C33 V34 L43 E47 S48 R53 C54 V55 | C29-L51 HydrophobicContact CB-CD2 4.13Å; C33-L51 HydrophobicContact CB-CD2 3.8Å; C33-L51 HydrophobicContact CB-CG 3.9Å; V34-L51 HydrophobicContact CG2-CD1 4.37Å; V34-L51 HydrophobicContact CG2-CD2 4.43Å; L43-L51 HydrophobicContact CD1-CD1 3.63Å; L43-L51 HydrophobicContact CD2-CD1 3.95Å; L43-L51 HydrophobicContact CG-CD1 4.44Å; E47-L51 WeakPolarHBondContact O-CB 3.34Å; E47-L51 VanDerWaalsContact O-CG 3.3Å; E47-L51 WeakPolarHBondContact O-CG 3.48Å; E47-L51 PolarHBondContact O-N 3.4Å; S48-L51 PolarHBondContact O-N 3.23Å; L51-R53 VanDerWaalsContact C-N 3.35Å; L51-R53 PolarHBondContact O-N 3.45Å; L51-C54 WeakPolarHBondContact O-CB 3.41Å; L51-C54 PolarHBondContact O-N 2.92Å; L51-C54 VanDerWaalsContact O-N 3.1Å; L51-V55 WeakPolarHBondContact O-CG2 3.25Å; L51-V55 PolarHBondContact O-N 2.91Å |
| 52 | D | 98.8 | Very high | 97.9 | Very high | 116 Ų | 116 | 79.3 Ų | 79.3 | 62% | 0.62 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -55.8 | -48.8 | 176.5 | -68 | -25.3 | 0 | 0 | 0 | 111.8 | S48 C50 C54 S56 | S48-D52 PolarHBondContact O-N 2.87Å; C50-D52 PolarHBondContact O-N 3.44Å; D52-C54 VanDerWaalsContact C-N 3.33Å; D52-C54 PolarHBondContact O-N 3.33Å; D52-S56 WeakPolarHBondContact O-CB 3.39Å; D52-S56 PolarHBondContact O-N 3.5Å |
| 53 | R | 98.8 | Very high | 98 | Very high | 166 Ų | 166 | 76.9 Ų | 76.9 | 63% | 0.626 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.4 | -37.1 | 177.6 | -71.6 | 172.6 | 175 | -177.8 | -0.8 | 112.1 | V49 C50 L51 K57 | V49-R53 VanDerWaalsContact O-CG 3.28Å; V49-R53 WeakPolarHBondContact O-CG 3.46Å; V49-R53 PolarHBondContact O-N 3.39Å; C50-R53 PolarHBondContact O-N 2.93Å; L51-R53 VanDerWaalsContact C-N 3.35Å; L51-R53 PolarHBondContact O-N 3.45Å; R53-K57 WeakPolarHBondContact O-CB 3.41Å; R53-K57 VanDerWaalsContact O-CG 3.26Å; R53-K57 WeakPolarHBondContact O-CG 3.49Å; R53-K57 PolarHBondContact O-N 3.27Å |
| 54 | C | 98.9 | Very high | 98.1 | Very high | 15 Ų | 15 | 79.3 Ų | 79.3 | 10% | 0.101 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66 | -48.6 | 179.8 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | C29 C50 L51 D52 K57 Y58 | C29-C54 WeakPolarHBondContact CA-SG 3.27Å; C29-C54 HydrophobicContact CB-CB 3.84Å; C29-C54 WeakPolarHBondContact CB-SG 3.35Å; C29-C54 VanDerWaalsContact SG-C 3.5Å; C29-C54 WeakPolarHBondContact SG-CB 3.5Å; C29-C54 CovalentContact SG-SG 2.05Å; C29-C54 PolarHBondContact SG-SG 2.94Å; C50-C54 VanDerWaalsContact O-CB 3.3Å; C50-C54 WeakPolarHBondContact O-CB 3.29Å; C50-C54 PolarHBondContact O-N 3.46Å; L51-C54 WeakPolarHBondContact O-CB 3.41Å; L51-C54 PolarHBondContact O-N 2.92Å; L51-C54 VanDerWaalsContact O-N 3.1Å; D52-C54 VanDerWaalsContact C-N 3.33Å; D52-C54 PolarHBondContact O-N 3.33Å; C54-K57 PolarHBondContact O-N 2.92Å; C54-Y58 WeakPolarHBondContact O-CB 3.37Å; C54-Y58 PolarHBondContact O-N 2.94Å |
| 55 | V | 98.8 | Very high | 98 | Very high | 52 Ų | 52 | 83.1 Ų | 83.1 | 32% | 0.315 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60 | -48.3 | 177.3 | 171 | 0 | 0 | 0 | 0 | 110.4 | M25 L51 K57 Y58 L59 | M25-V55 HydrophobicContact CE-CG1 4.48Å; M25-V55 HydrophobicContact SD-CB 4.49Å; M25-V55 HydrophobicContact SD-CG1 3.96Å; M25-V55 HydrophobicContact SD-CG2 4.37Å; L51-V55 WeakPolarHBondContact O-CG2 3.25Å; L51-V55 PolarHBondContact O-N 2.91Å; V55-K57 PolarHBondContact O-N 2.63Å; V55-Y58 PolarHBondContact O-N 2.93Å; V55-Y58 VanDerWaalsContact O-N 3.14Å; V55-L59 HydrophobicContact CG1-CD1 4.01Å; V55-L59 HydrophobicContact CG1-CG 4.48Å; V55-L59 WeakPolarHBondContact O-CG 3.29Å; V55-L59 PolarHBondContact O-N 3.4Å |
| 56 | S | 98.8 | Very high | 98 | Very high | 78 Ų | 78 | 76 Ų | 76 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -55.7 | -47.8 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 112.3 | D52 L59 D60 | D52-S56 WeakPolarHBondContact O-CB 3.39Å; D52-S56 PolarHBondContact O-N 3.5Å; S56-L59 PolarHBondContact O-N 3.16Å; S56-D60 WeakPolarHBondContact O-CB 3.43Å; S56-D60 PolarHBondContact O-N 3.11Å |
| 57 | K | 98.8 | Very high | 98 | Very high | 141 Ų | 141 | 79.1 Ų | 79.1 | 61% | 0.613 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.4 | -37.3 | 177.2 | -72.7 | 176.2 | -177.7 | -174.1 | 0 | 112.9 | R53 C54 V55 I61 | R53-K57 WeakPolarHBondContact O-CB 3.41Å; R53-K57 VanDerWaalsContact O-CG 3.26Å; R53-K57 WeakPolarHBondContact O-CG 3.49Å; R53-K57 PolarHBondContact O-N 3.27Å; C54-K57 PolarHBondContact O-N 2.92Å; V55-K57 PolarHBondContact O-N 2.63Å; K57-I61 WeakPolarHBondContact O-CB 3.48Å; K57-I61 WeakPolarHBondContact O-CG1 3.17Å; K57-I61 PolarHBondContact O-N 3.29Å |
| 58 | Y | 98.7 | Very high | 98 | Very high | 52 Ų | 52 | 82 Ų | 82 | 20% | 0.204 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 179.5 | -170.9 | -80.8 | 0 | 0 | 0 | 110.4 | M21 R24 M25 A28 C54 V55 I61 H62 | M21-Y58 HydrophobicContact CG-CE1 4.05Å; R24-Y58 WeakPolarHBondContact CB-OH 3.46Å; M25-Y58 HydrophobicContact CB-CD1 3.7Å; M25-Y58 HydrophobicContact CB-CD2 4.24Å; M25-Y58 HydrophobicContact CB-CE1 3.57Å; M25-Y58 HydrophobicContact CB-CE2 4.11Å; M25-Y58 HydrophobicContact CB-CG 4.05Å; M25-Y58 HydrophobicContact CG-CD1 3.56Å; M25-Y58 HydrophobicContact CG-CD2 4.11Å; M25-Y58 HydrophobicContact CG-CE1 4Å; M25-Y58 HydrophobicContact CG-CE2 4.49Å; M25-Y58 HydrophobicContact CG-CG 3.63Å; M25-Y58 HydrophobicContact SD-CD1 3.8Å; M25-Y58 HydrophobicContact SD-CE1 4.46Å; M25-Y58 HydrophobicContact SD-CG 4.23Å; A28-Y58 HydrophobicContact CB-CE2 4.32Å; C54-Y58 WeakPolarHBondContact O-CB 3.37Å; C54-Y58 PolarHBondContact O-N 2.94Å; V55-Y58 PolarHBondContact O-N 2.93Å; V55-Y58 VanDerWaalsContact O-N 3.14Å; Y58-I61 PolarHBondContact O-N 3.09Å; Y58-H62 VanDerWaalsContact O-CB 3.29Å; Y58-H62 WeakPolarHBondContact O-CB 3.31Å; Y58-H62 PolarHBondContact O-N 3.28Å |
| 59 | L | 98.4 | Very high | 97.9 | Very high | 76 Ų | 76 | 85.4 Ų | 85.4 | 40% | 0.398 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 179.3 | -65.6 | 175.8 | 0 | 0 | 0 | 112.4 | M21 M25 V55 S56 I61 H62 E63 | M21-L59 HydrophobicContact CE-CD2 4.04Å; M21-L59 HydrophobicContact SD-CD2 4.26Å; M25-L59 HydrophobicContact SD-CD2 4.09Å; M25-L59 HydrophobicContact SD-CG 4.23Å; V55-L59 HydrophobicContact CG1-CD1 4.01Å; V55-L59 HydrophobicContact CG1-CG 4.48Å; V55-L59 WeakPolarHBondContact O-CG 3.29Å; V55-L59 PolarHBondContact O-N 3.4Å; S56-L59 PolarHBondContact O-N 3.16Å; L59-I61 PolarHBondContact O-N 3.4Å; L59-H62 WeakPolarHBondContact O-CB 3.47Å; L59-H62 PolarHBondContact O-N 3.06Å; L59-E63 PolarHBondContact O-N 3.36Å |
| 60 | D | 98.4 | Very high | 97.8 | Very high | 59 Ų | 59 | 86.7 Ų | 86.7 | 32% | 0.316 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 175 | 176 | 36.2 | 0 | 0 | 0 | 111.6 | S56 E63 R64 | S56-D60 WeakPolarHBondContact O-CB 3.43Å; S56-D60 PolarHBondContact O-N 3.11Å; D60-E63 PolarHBondContact O-N 3.42Å; D60-R64 VanDerWaalsContact CG-NH2 3.33Å; D60-R64 VanDerWaalsContact O-CG 3.29Å; D60-R64 WeakPolarHBondContact O-CG 3.5Å; D60-R64 PolarHBondContact O-N 3.19Å; D60-R64 VanDerWaalsContact O-N 3.07Å; D60-R64 IonicContact OD1-CZ 3.32Å; D60-R64 VanDerWaalsContact OD1-CZ 3.32Å; D60-R64 IonicContact OD1-NE 2.79Å; D60-R64 PolarHBondContact OD1-NE 3.43Å; D60-R64 IonicContact OD1-NH2 3.01Å; D60-R64 PolarHBondContact OD1-NH2 3.16Å; D60-R64 IonicContact OD2-CZ 3.34Å; D60-R64 IonicContact OD2-NE 3.46Å; D60-R64 PolarHBondContact OD2-NE 3.28Å; D60-R64 IonicContact OD2-NH2 2.82Å; D60-R64 PolarHBondContact OD2-NH2 3.29Å |
| 61 | I | 97.3 | Very high | 97.7 | Very high | 91 Ų | 91 | 88.8 Ų | 88.8 | 47% | 0.467 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 176.2 | -68 | -67.3 | 0 | 0 | 0 | 111.2 | K57 Y58 L59 E63 R64 M65 | K57-I61 WeakPolarHBondContact O-CB 3.48Å; K57-I61 WeakPolarHBondContact O-CG1 3.17Å; K57-I61 PolarHBondContact O-N 3.29Å; Y58-I61 PolarHBondContact O-N 3.09Å; L59-I61 PolarHBondContact O-N 3.4Å; I61-E63 VanDerWaalsContact C-N 3.34Å; I61-E63 PolarHBondContact O-N 3.45Å; I61-R64 PolarHBondContact O-N 3.45Å; I61-M65 HydrophobicContact CG2-CG 4.11Å; I61-M65 WeakPolarHBondContact O-CB 3.42Å; I61-M65 VanDerWaalsContact O-CG 3.25Å; I61-M65 WeakPolarHBondContact O-CG 3.46Å; I61-M65 PolarHBondContact O-N 2.98Å |
| 62 | H | 96.1 | Very high | 97.6 | Very high | 95 Ų | 95 | 90.5 Ų | 90.5 | 44% | 0.44 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.5 | -46 | 176.9 | -179.4 | -93.4 | 0 | 0 | 0 | 111.6 | Y58 L59 M65 G66 | Y58-H62 VanDerWaalsContact O-CB 3.29Å; Y58-H62 WeakPolarHBondContact O-CB 3.31Å; Y58-H62 PolarHBondContact O-N 3.28Å; L59-H62 WeakPolarHBondContact O-CB 3.47Å; L59-H62 PolarHBondContact O-N 3.06Å; H62-M65 PolarHBondContact O-N 3.07Å; H62-G66 PolarHBondContact O-N 3.32Å |
| 63 | E | 97.5 | Very high | 97.5 | Very high | 103 Ų | 103 | 88 Ų | 88 | 48% | 0.481 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 176.4 | -174.7 | -173.5 | 168.7 | 0 | 0 | 111.9 | L59 D60 I61 M65 G66 K67 | L59-E63 PolarHBondContact O-N 3.36Å; D60-E63 PolarHBondContact O-N 3.42Å; I61-E63 VanDerWaalsContact C-N 3.34Å; I61-E63 PolarHBondContact O-N 3.45Å; E63-M65 VanDerWaalsContact C-N 3.33Å; E63-M65 PolarHBondContact O-N 2.94Å; E63-G66 PolarHBondContact O-N 3.42Å; E63-K67 WeakPolarHBondContact O-CG 3.31Å; E63-K67 PolarHBondContact O-N 3.13Å; E63-K67 WeakPolarHBondContact OE1-CE 3.38Å; E63-K67 IonicContact OE1-NZ 2.63Å; E63-K67 PolarHBondContact OE1-NZ 3.34Å |
| 64 | R | 97.9 | Very high | 97.3 | Very high | 138 Ų | 138 | 86.2 Ų | 86.2 | 52% | 0.521 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 178.6 | -70 | 174.1 | -164.9 | -154.2 | 7.5 | 112.1 | D60 I61 K68 | D60-R64 VanDerWaalsContact CG-NH2 3.33Å; D60-R64 VanDerWaalsContact O-CG 3.29Å; D60-R64 WeakPolarHBondContact O-CG 3.5Å; D60-R64 PolarHBondContact O-N 3.19Å; D60-R64 VanDerWaalsContact O-N 3.07Å; D60-R64 IonicContact OD1-CZ 3.32Å; D60-R64 VanDerWaalsContact OD1-CZ 3.32Å; D60-R64 IonicContact OD1-NE 2.79Å; D60-R64 PolarHBondContact OD1-NE 3.43Å; D60-R64 IonicContact OD1-NH2 3.01Å; D60-R64 PolarHBondContact OD1-NH2 3.16Å; D60-R64 IonicContact OD2-CZ 3.34Å; D60-R64 IonicContact OD2-NE 3.46Å; D60-R64 PolarHBondContact OD2-NE 3.28Å; D60-R64 IonicContact OD2-NH2 2.82Å; D60-R64 PolarHBondContact OD2-NH2 3.29Å; I61-R64 PolarHBondContact O-N 3.45Å; R64-K68 WeakPolarHBondContact O-CB 3.49Å; R64-K68 PolarHBondContact O-N 3.03Å |
| 65 | M | 95.6 | Very high | 97.1 | Very high | 114 Ų | 114 | 90.5 Ų | 90.5 | 56% | 0.562 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.5 | -41.9 | 176.1 | -68.3 | -59.3 | 97 | 0 | 0 | 111.2 | I61 H62 E63 K68 L69 | I61-M65 HydrophobicContact CG2-CG 4.11Å; I61-M65 WeakPolarHBondContact O-CB 3.42Å; I61-M65 VanDerWaalsContact O-CG 3.25Å; I61-M65 WeakPolarHBondContact O-CG 3.46Å; I61-M65 PolarHBondContact O-N 2.98Å; H62-M65 PolarHBondContact O-N 3.07Å; E63-M65 VanDerWaalsContact C-N 3.33Å; E63-M65 PolarHBondContact O-N 2.94Å; M65-K68 PolarHBondContact O-N 3.49Å; M65-L69 WeakPolarHBondContact O-CB 3.28Å; M65-L69 PolarHBondContact O-N 3.48Å |
| 66 | G | 95.6 | Very high | 96.9 | Very high | 34 Ų | 34 | 92.5 Ų | 92.5 | 35% | 0.351 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.3 | -49.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H62 E63 K68 L69 T70 | H62-G66 PolarHBondContact O-N 3.32Å; E63-G66 PolarHBondContact O-N 3.42Å; G66-K68 VanDerWaalsContact C-N 3.32Å; G66-K68 PolarHBondContact O-N 3.06Å; G66-L69 PolarHBondContact O-N 2.91Å; G66-T70 PolarHBondContact O-N 3.47Å; G66-T70 PolarHBondContact O-OG1 3.05Å |
| 67 | K | 97.7 | Very high | 96.7 | Very high | 117 Ų | 117 | 93.6 Ų | 93.6 | 51% | 0.509 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.1 | -45.3 | 175 | -71.1 | 177 | -175.1 | 169.5 | 0 | 111.7 | E63 L69 T70 E71 | E63-K67 WeakPolarHBondContact O-CG 3.31Å; E63-K67 PolarHBondContact O-N 3.13Å; E63-K67 WeakPolarHBondContact OE1-CE 3.38Å; E63-K67 IonicContact OE1-NZ 2.63Å; E63-K67 PolarHBondContact OE1-NZ 3.34Å; K67-L69 VanDerWaalsContact C-N 3.32Å; K67-L69 PolarHBondContact O-N 3.39Å; K67-T70 PolarHBondContact O-N 3.44Å; K67-E71 WeakPolarHBondContact O-CG 3.38Å; K67-E71 PolarHBondContact O-N 3.04Å |
| 68 | K | 97.5 | Very high | 96.4 | Very high | 92 Ų | 92 | 91.6 Ų | 91.6 | 40% | 0.4 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | -178.6 | -172.2 | 57.9 | -177 | 174 | 0 | 112.3 | R64 M65 G66 E71 L72 | R64-K68 WeakPolarHBondContact O-CB 3.49Å; R64-K68 PolarHBondContact O-N 3.03Å; M65-K68 PolarHBondContact O-N 3.49Å; G66-K68 VanDerWaalsContact C-N 3.32Å; G66-K68 PolarHBondContact O-N 3.06Å; K68-E71 WeakPolarHBondContact CD-OE2 3.33Å; K68-E71 IonicContact NZ-OE2 2.98Å; K68-E71 PolarHBondContact NZ-OE2 3.29Å; K68-E71 PolarHBondContact O-N 3.05Å; K68-L72 HydrophobicContact CG-CD1 4.37Å; K68-L72 VanDerWaalsContact O-CG 3.31Å; K68-L72 WeakPolarHBondContact O-CG 3.37Å; K68-L72 PolarHBondContact O-N 3Å; K68-L72 VanDerWaalsContact O-N 3.09Å |
| 69 | L | 96.9 | Very high | 96.2 | Very high | 114 Ų | 114 | 94.1 Ų | 94.1 | 60% | 0.597 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.2 | -46 | 176.1 | -177.7 | 60.7 | 0 | 0 | 0 | 111 | M65 G66 K67 E71 L72 S73 | M65-L69 WeakPolarHBondContact O-CB 3.28Å; M65-L69 PolarHBondContact O-N 3.48Å; G66-L69 PolarHBondContact O-N 2.91Å; K67-L69 VanDerWaalsContact C-N 3.32Å; K67-L69 PolarHBondContact O-N 3.39Å; L69-E71 PolarHBondContact O-N 3.02Å; L69-L72 PolarHBondContact O-N 3.22Å; L69-S73 PolarHBondContact O-N 2.77Å; L69-S73 PolarHBondContact O-OG 3.34Å; L69-S73 VanDerWaalsContact O-OG 3.13Å |
| 70 | T | 95.8 | Very high | 95.9 | Very high | 84 Ų | 84 | 96 Ų | 96 | 52% | 0.515 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 176.2 | -57 | 0 | 0 | 0 | 0 | 112.1 | G66 K67 L72 S73 M74 | G66-T70 PolarHBondContact O-N 3.47Å; G66-T70 PolarHBondContact O-OG1 3.05Å; K67-T70 PolarHBondContact O-N 3.44Å; T70-L72 VanDerWaalsContact C-N 3.31Å; T70-L72 PolarHBondContact O-N 3.45Å; T70-S73 PolarHBondContact O-N 3.47Å; T70-M74 HydrophobicContact CG2-SD 4.33Å; T70-M74 WeakPolarHBondContact O-CG 3.47Å; T70-M74 PolarHBondContact O-N 2.98Å |
| 71 | E | 97.1 | Very high | 95.6 | Very high | 91 Ų | 91 | 98.2 Ų | 98.2 | 43% | 0.425 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.5 | -45.3 | 175.3 | -73.3 | 171 | -165.7 | 0 | 0 | 112.1 | K67 K68 L69 M74 Q75 | K67-E71 WeakPolarHBondContact O-CG 3.38Å; K67-E71 PolarHBondContact O-N 3.04Å; K68-E71 WeakPolarHBondContact CD-OE2 3.33Å; K68-E71 IonicContact NZ-OE2 2.98Å; K68-E71 PolarHBondContact NZ-OE2 3.29Å; K68-E71 PolarHBondContact O-N 3.05Å; L69-E71 PolarHBondContact O-N 3.02Å; E71-M74 PolarHBondContact O-N 3.36Å; E71-Q75 WeakPolarHBondContact O-CG 3.38Å; E71-Q75 PolarHBondContact O-N 3.44Å; E71-Q75 VanDerWaalsContact O-N 3.11Å |
| 72 | L | 96.8 | Very high | 95.3 | Very high | 73 Ų | 73 | 101.1 Ų | 101.1 | 38% | 0.382 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 179.4 | -70.3 | 170.7 | 0 | 0 | 0 | 111.2 | K68 L69 T70 M74 Q75 D76 | K68-L72 HydrophobicContact CG-CD1 4.37Å; K68-L72 VanDerWaalsContact O-CG 3.31Å; K68-L72 WeakPolarHBondContact O-CG 3.37Å; K68-L72 PolarHBondContact O-N 3Å; K68-L72 VanDerWaalsContact O-N 3.09Å; L69-L72 PolarHBondContact O-N 3.22Å; T70-L72 VanDerWaalsContact C-N 3.31Å; T70-L72 PolarHBondContact O-N 3.45Å; L72-M74 VanDerWaalsContact C-N 3.3Å; L72-M74 PolarHBondContact O-N 2.89Å; L72-Q75 WeakPolarHBondContact O-CB 3.42Å; L72-Q75 PolarHBondContact O-N 2.65Å; L72-Q75 VanDerWaalsContact O-N 3.16Å; L72-D76 PolarHBondContact O-N 3.48Å |
| 73 | S | 95.9 | Very high | 95 | Very high | 64 Ų | 64 | 100.4 Ų | 100.4 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 177.1 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | L69 T70 D76 E77 | L69-S73 PolarHBondContact O-N 2.77Å; L69-S73 PolarHBondContact O-OG 3.34Å; L69-S73 VanDerWaalsContact O-OG 3.13Å; T70-S73 PolarHBondContact O-N 3.47Å; S73-D76 PolarHBondContact O-N 3.22Å; S73-E77 PolarHBondContact O-N 3.47Å |
| 74 | M | 95 | Very high | 94.5 | Very high | 128 Ų | 128 | 101.8 Ų | 101.8 | 63% | 0.631 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.8 | -39.4 | 175.6 | -68.4 | 175.9 | 68.3 | 0 | 0 | 112.2 | T70 E71 L72 E77 E78 | T70-M74 HydrophobicContact CG2-SD 4.33Å; T70-M74 WeakPolarHBondContact O-CG 3.47Å; T70-M74 PolarHBondContact O-N 2.98Å; E71-M74 PolarHBondContact O-N 3.36Å; L72-M74 VanDerWaalsContact C-N 3.3Å; L72-M74 PolarHBondContact O-N 2.89Å; M74-E77 PolarHBondContact O-N 3.33Å; M74-E78 PolarHBondContact O-N 3.41Å |
| 75 | Q | 94.7 | Very high | 93.8 | Very high | 105 Ų | 105 | 102.7 Ų | 102.7 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 176.3 | -71.6 | 172.6 | 21.3 | 0 | 0 | 111.6 | E71 L72 E78 L79 | E71-Q75 WeakPolarHBondContact O-CG 3.38Å; E71-Q75 PolarHBondContact O-N 3.44Å; E71-Q75 VanDerWaalsContact O-N 3.11Å; L72-Q75 WeakPolarHBondContact O-CB 3.42Å; L72-Q75 PolarHBondContact O-N 2.65Å; L72-Q75 VanDerWaalsContact O-N 3.16Å; Q75-E78 PolarHBondContact O-N 3.08Å; Q75-L79 WeakPolarHBondContact O-CB 3.38Å; Q75-L79 PolarHBondContact O-N 3.4Å |
| 76 | D | 94.8 | Very high | 92.8 | Very high | 93 Ų | 93 | 102 Ų | 102 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 177 | -70.6 | -20.7 | 0 | 0 | 0 | 111.6 | L72 S73 L79 M80 | L72-D76 PolarHBondContact O-N 3.48Å; S73-D76 PolarHBondContact O-N 3.22Å; D76-L79 PolarHBondContact O-N 2.93Å; D76-M80 WeakPolarHBondContact O-CG 3.33Å; D76-M80 PolarHBondContact O-N 3Å |
| 77 | E | 94.2 | Very high | 91.5 | Very high | 101 Ų | 101 | 104.5 Ų | 104.5 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 175.9 | -165.7 | -171.2 | 126.7 | 0 | 0 | 111.9 | S73 M74 M80 K81 | S73-E77 PolarHBondContact O-N 3.47Å; M74-E77 PolarHBondContact O-N 3.33Å; E77-M80 PolarHBondContact O-N 3.11Å; E77-K81 WeakPolarHBondContact O-CG 3.36Å; E77-K81 PolarHBondContact O-N 3.03Å; E77-K81 WeakPolarHBondContact OE1-CE 3.39Å; E77-K81 IonicContact OE1-NZ 2.62Å; E77-K81 PolarHBondContact OE1-NZ 2.97Å |
| 78 | E | 93.4 | Very high | 89.6 | Confident | 99 Ų | 99 | 101 Ų | 101 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 176.3 | -172.6 | 177.6 | -177.6 | 0 | 0 | 111.6 | M74 Q75 K81 R82 | M74-E78 PolarHBondContact O-N 3.41Å; Q75-E78 PolarHBondContact O-N 3.08Å; E78-K81 PolarHBondContact O-N 3.42Å; E78-R82 WeakPolarHBondContact O-CG 3.36Å; E78-R82 PolarHBondContact O-N 3.05Å; E78-R82 IonicContact OE1-CZ 3.38Å; E78-R82 IonicContact OE1-NE 3.48Å; E78-R82 PolarHBondContact OE1-NE 3.48Å; E78-R82 IonicContact OE1-NH2 2.65Å; E78-R82 PolarHBondContact OE1-NH2 3.01Å |
| 79 | L | 93.3 | Very high | 87.8 | Confident | 105 Ų | 105 | 103 Ų | 103 | 55% | 0.55 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 175.5 | 179.4 | 62.2 | 0 | 0 | 0 | 111.1 | Q75 D76 K81 R82 V83 | Q75-L79 WeakPolarHBondContact O-CB 3.38Å; Q75-L79 PolarHBondContact O-N 3.4Å; D76-L79 PolarHBondContact O-N 2.93Å; L79-K81 VanDerWaalsContact C-N 3.34Å; L79-K81 PolarHBondContact O-N 3.33Å; L79-R82 PolarHBondContact O-N 3.41Å; L79-V83 HydrophobicContact CD1-CG2 4.47Å; L79-V83 WeakPolarHBondContact O-CG2 3.34Å; L79-V83 PolarHBondContact O-N 3.11Å |
| 80 | M | 92.2 | Very high | 85.6 | Confident | 115 Ų | 115 | 105.9 Ų | 105.9 | 57% | 0.567 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.5 | -41.8 | 177.2 | -78.3 | -161.7 | -79.5 | 0 | 0 | 112.2 | D76 E77 R82 V83 Q84 | D76-M80 WeakPolarHBondContact O-CG 3.33Å; D76-M80 PolarHBondContact O-N 3Å; E77-M80 PolarHBondContact O-N 3.11Å; M80-R82 PolarHBondContact O-N 3.36Å; M80-V83 PolarHBondContact O-N 3.08Å; M80-Q84 WeakPolarHBondContact O-CG 3.3Å; M80-Q84 PolarHBondContact O-N 2.62Å |
| 81 | K | 92.8 | Very high | 85.1 | Confident | 106 Ų | 106 | 107 Ų | 107 | 46% | 0.461 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.4 | -42.8 | 175.6 | -77.4 | 169.6 | 171.6 | 168.1 | 0 | 112.1 | E77 E78 L79 Q84 Q85 | E77-K81 WeakPolarHBondContact O-CG 3.36Å; E77-K81 PolarHBondContact O-N 3.03Å; E77-K81 WeakPolarHBondContact OE1-CE 3.39Å; E77-K81 IonicContact OE1-NZ 2.62Å; E77-K81 PolarHBondContact OE1-NZ 2.97Å; E78-K81 PolarHBondContact O-N 3.42Å; L79-K81 VanDerWaalsContact C-N 3.34Å; L79-K81 PolarHBondContact O-N 3.33Å; K81-Q84 PolarHBondContact O-N 3.06Å; K81-Q85 VanDerWaalsContact O-CG 3.3Å; K81-Q85 WeakPolarHBondContact O-CG 3.49Å; K81-Q85 PolarHBondContact O-N 3.47Å; K81-Q85 VanDerWaalsContact O-N 3.08Å |
| 82 | R | 91.3 | Very high | 84.5 | Confident | 152 Ų | 152 | 107.8 Ų | 107.8 | 57% | 0.574 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.5 | -41.7 | 177.4 | -70.3 | 176.7 | -175.1 | -172.6 | 1.6 | 112.1 | E78 L79 M80 Q85 S86 | E78-R82 WeakPolarHBondContact O-CG 3.36Å; E78-R82 PolarHBondContact O-N 3.05Å; E78-R82 IonicContact OE1-CZ 3.38Å; E78-R82 IonicContact OE1-NE 3.48Å; E78-R82 PolarHBondContact OE1-NE 3.48Å; E78-R82 IonicContact OE1-NH2 2.65Å; E78-R82 PolarHBondContact OE1-NH2 3.01Å; L79-R82 PolarHBondContact O-N 3.41Å; M80-R82 PolarHBondContact O-N 3.36Å; R82-Q85 PolarHBondContact O-N 3.06Å; R82-S86 PolarHBondContact O-N 3.13Å; R82-S86 VanDerWaalsContact O-N 3.08Å; R82-S86 PolarHBondContact O-OG 3.33Å |
| 83 | V | 90.1 | Very high | 83.8 | Confident | 81 Ų | 81 | 109.7 Ų | 109.7 | 49% | 0.491 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.8 | -48 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | L79 M80 Q85 S86 S87 | L79-V83 HydrophobicContact CD1-CG2 4.47Å; L79-V83 WeakPolarHBondContact O-CG2 3.34Å; L79-V83 PolarHBondContact O-N 3.11Å; M80-V83 PolarHBondContact O-N 3.08Å; V83-Q85 VanDerWaalsContact C-N 3.32Å; V83-Q85 PolarHBondContact O-N 3.31Å; V83-S86 PolarHBondContact O-N 3.47Å; V83-S86 VanDerWaalsContact O-N 3.11Å; V83-S86 PolarHBondContact O-OG 3Å; V83-S87 PolarHBondContact O-N 3.35Å; V83-S87 PolarHBondContact O-OG 3.46Å; V83-S87 VanDerWaalsContact O-OG 3.11Å |
| 84 | Q | 87.1 | Confident | 83.1 | Confident | 131 Ų | 131 | 112.4 Ų | 112.4 | 61% | 0.612 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60.1 | -38.1 | 178.9 | -72.8 | 174.9 | 6.1 | 0 | 0 | 113.3 | M80 K81 S87 G88 | M80-Q84 WeakPolarHBondContact O-CG 3.3Å; M80-Q84 PolarHBondContact O-N 2.62Å; K81-Q84 PolarHBondContact O-N 3.06Å; Q84-S87 PolarHBondContact O-OG 3.19Å; Q84-G88 PolarHBondContact O-N 2.97Å |
| 85 | Q | 82 | Confident | 82.4 | Confident | 157 Ų | 157 | 111.4 Ų | 111.4 | 73% | 0.734 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.9 | -36.7 | 175.7 | -72.9 | 172.5 | -2.9 | 0 | 0 | 112.3 | K81 R82 V83 | K81-Q85 VanDerWaalsContact O-CG 3.3Å; K81-Q85 WeakPolarHBondContact O-CG 3.49Å; K81-Q85 PolarHBondContact O-N 3.47Å; K81-Q85 VanDerWaalsContact O-N 3.08Å; R82-Q85 PolarHBondContact O-N 3.06Å; V83-Q85 VanDerWaalsContact C-N 3.32Å; V83-Q85 PolarHBondContact O-N 3.31Å |
| 86 | S | 74.2 | Confident | 81.6 | Confident | 101 Ų | 101 | 111.9 Ų | 111.9 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.2 | -23.3 | 178.7 | 71.6 | 0 | 0 | 0 | 0 | 114.1 | R82 V83 | R82-S86 PolarHBondContact O-N 3.13Å; R82-S86 VanDerWaalsContact O-N 3.08Å; R82-S86 PolarHBondContact O-OG 3.33Å; V83-S86 PolarHBondContact O-N 3.47Å; V83-S86 VanDerWaalsContact O-N 3.11Å; V83-S86 PolarHBondContact O-OG 3Å |
| 87 | S | 68.7 | Low | 80.6 | Confident | 86 Ų | 86 | 113.2 Ų | 113.2 | 60% | 0.601 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 12.7 | 178.3 | 60.7 | 0 | 0 | 0 | 0 | 113.7 | V83 Q84 | V83-S87 PolarHBondContact O-N 3.35Å; V83-S87 PolarHBondContact O-OG 3.46Å; V83-S87 VanDerWaalsContact O-OG 3.11Å; Q84-S87 PolarHBondContact O-OG 3.19Å |
| 88 | G | 57.6 | Low | 79.6 | Confident | 43 Ų | 43 | 114.2 Ų | 114.2 | 44% | 0.443 | 66% | 0.655 | S | S | . | * | trans | -61.2 | 141.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q84 A90 | Q84-G88 PolarHBondContact O-N 2.97Å; G88-A90 PolarHBondContact O-N 3.26Å | ||
| 89 | P | 60.3 | Low | 78.4 | Confident | 134 Ų | 134 | 115.4 Ų | 115.4 | 87% | 0.87 | 67% | 0.671 | S | S | * | * | trans | -63.4 | 122.6 | -172.4 | 26.1 | -32.6 | 0 | 0 | 0 | 110.6 | ||||
| 90 | A | 51.3 | Low | 77.1 | Confident | 174 Ų | 174 | 116.4 Ų | 116.4 | 100% | 1.438 | 68% | 0.682 | S | S | * | * | trans | -73.1 | 0 | 159 | 0 | 0 | 0 | 0 | 0 | 110.3 | G88 | G88-A90 PolarHBondContact O-N 3.26Š|
Retrieved 90 of 90 residues in 17.5 ms
(Link to these results)