| 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 | 57.6 | Low | 69.5 | Low | 211 Ų | 211 | 120.2 Ų | 120.2 | 100% | 1.039 | 63% | 0.626 | S | S | * | * | 0 | 24.6 | 0 | -88 | 174.4 | 170.4 | 0 | 0 | 110.2 | |||||
| 2 | D | 62.9 | Low | 70.8 | Confident | 108 Ų | 108 | 113.5 Ų | 113.5 | 58% | 0.578 | 60% | 0.602 | S | S | * | * | trans | -103 | -17.4 | -159.8 | -48 | -72 | 0 | 0 | 0 | 112.8 | T4 T5 Q6 | D2-T4 PolarHBondContact O-N 2.99Å; D2-T5 PolarHBondContact O-N 3.49Å; D2-Q6 WeakPolarHBondContact O-CB 3.25Å; D2-Q6 VanDerWaalsContact O-CG 3.25Å; D2-Q6 WeakPolarHBondContact O-CG 3.41Å; D2-Q6 PolarHBondContact O-N 3.47Å | ||
| 3 | S | 64 | Low | 72.1 | Confident | 98 Ų | 98 | 112 Ų | 112 | 69% | 0.685 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.3 | -39.2 | -176 | -47.3 | 0 | 0 | 0 | 0 | 112.9 | C7 | S3-C7 PolarHBondContact O-N 3.23Å |
| 4 | T | 67.6 | Low | 73.2 | Confident | 91 Ų | 91 | 106.7 Ų | 106.7 | 56% | 0.558 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -73.4 | -41 | -179.5 | -30.4 | 0 | 0 | 0 | 0 | 111.4 | D2 C7 Y8 | D2-T4 PolarHBondContact O-N 2.99Å; T4-C7 WeakPolarHBondContact O-CB 3.48Å; T4-C7 PolarHBondContact O-N 3.44Å; T4-Y8 HydrophobicContact CG2-CD2 4.28Å; T4-Y8 HydrophobicContact CG2-CE2 3.74Å; T4-Y8 WeakPolarHBondContact O-CD2 3.33Å; T4-Y8 PolarHBondContact O-N 3.16Å; T4-Y8 VanDerWaalsContact O-N 3.16Å |
| 5 | T | 66.6 | Low | 74.1 | Confident | 82 Ų | 82 | 102.6 Ų | 102.6 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 176.9 | -49.4 | 0 | 0 | 0 | 0 | 111.9 | D2 C7 Y8 N9 | D2-T5 PolarHBondContact O-N 3.49Å; T5-C7 VanDerWaalsContact C-N 3.31Å; T5-C7 PolarHBondContact O-N 3.45Å; T5-Y8 PolarHBondContact O-N 3.15Å; T5-N9 VanDerWaalsContact O-CG 3.3Å; T5-N9 PolarHBondContact O-N 3.05Å; T5-N9 VanDerWaalsContact O-N 3.15Å; T5-N9 PolarHBondContact O-ND2 3.37Å |
| 6 | Q | 66.3 | Low | 75 | Confident | 132 Ų | 132 | 101.1 Ų | 101.1 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.1 | -35.8 | 173.7 | -75.6 | 171.5 | 12.6 | 0 | 0 | 112.4 | D2 H10 | D2-Q6 WeakPolarHBondContact O-CB 3.25Å; D2-Q6 VanDerWaalsContact O-CG 3.25Å; D2-Q6 WeakPolarHBondContact O-CG 3.41Å; D2-Q6 PolarHBondContact O-N 3.47Å; Q6-H10 PolarHBondContact O-N 3.22Å; Q6-H10 VanDerWaalsContact O-N 3.12Å |
| 7 | C | 66.1 | Low | 76 | Confident | 81 Ų | 81 | 101.8 Ų | 101.8 | 55% | 0.547 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 176.7 | -169.9 | 0 | 0 | 0 | 0 | 112.5 | S3 T4 T5 N9 H10 E11 | S3-C7 PolarHBondContact O-N 3.23Å; T4-C7 WeakPolarHBondContact O-CB 3.48Å; T4-C7 PolarHBondContact O-N 3.44Å; T5-C7 VanDerWaalsContact C-N 3.31Å; T5-C7 PolarHBondContact O-N 3.45Å; C7-N9 VanDerWaalsContact C-N 3.32Å; C7-N9 PolarHBondContact O-N 3.24Å; C7-H10 PolarHBondContact O-N 3.12Å; C7-E11 PolarHBondContact O-N 3.44Å |
| 8 | Y | 69.7 | Low | 76.8 | Confident | 156 Ų | 156 | 100.6 Ų | 100.6 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.5 | -39.7 | 177.8 | -76.6 | -65.6 | 0 | 0 | 0 | 112.5 | T4 T5 H10 E11 A12 | T4-Y8 HydrophobicContact CG2-CD2 4.28Å; T4-Y8 HydrophobicContact CG2-CE2 3.74Å; T4-Y8 WeakPolarHBondContact O-CD2 3.33Å; T4-Y8 PolarHBondContact O-N 3.16Å; T4-Y8 VanDerWaalsContact O-N 3.16Å; T5-Y8 PolarHBondContact O-N 3.15Å; Y8-H10 VanDerWaalsContact C-N 3.35Å; Y8-E11 PolarHBondContact O-N 2.98Å; Y8-A12 WeakPolarHBondContact O-CB 3.11Å; Y8-A12 PolarHBondContact O-N 3.34Å |
| 9 | N | 78.1 | Confident | 77.5 | Confident | 91 Ų | 91 | 98.5 Ų | 98.5 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 175.9 | -67.5 | -17.9 | 0 | 0 | 0 | 111.2 | T5 C7 E11 A12 D13 | T5-N9 VanDerWaalsContact O-CG 3.3Å; T5-N9 PolarHBondContact O-N 3.05Å; T5-N9 VanDerWaalsContact O-N 3.15Å; T5-N9 PolarHBondContact O-ND2 3.37Å; C7-N9 VanDerWaalsContact C-N 3.32Å; C7-N9 PolarHBondContact O-N 3.24Å; N9-E11 PolarHBondContact O-N 3.46Å; N9-A12 PolarHBondContact O-N 3.04Å; N9-D13 WeakPolarHBondContact O-CB 3.47Å; N9-D13 PolarHBondContact O-N 3.39Å |
| 10 | H | 82.5 | Confident | 78.3 | Confident | 140 Ų | 140 | 98.2 Ų | 98.2 | 65% | 0.648 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.6 | -37.5 | 177.3 | -172.8 | -70.7 | 0 | 0 | 0 | 112.7 | Q6 C7 Y8 A14 | Q6-H10 PolarHBondContact O-N 3.22Å; Q6-H10 VanDerWaalsContact O-N 3.12Å; C7-H10 PolarHBondContact O-N 3.12Å; Y8-H10 VanDerWaalsContact C-N 3.35Å; H10-A14 WeakPolarHBondContact O-CB 3.32Å; H10-A14 PolarHBondContact O-N 2.97Å |
| 11 | E | 82.8 | Confident | 79 | Confident | 132 Ų | 132 | 99.4 Ų | 99.4 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.8 | -42.4 | 175.7 | -173.5 | 176.1 | -171.7 | 0 | 0 | 111.7 | C7 Y8 N9 A14 F15 | C7-E11 PolarHBondContact O-N 3.44Å; Y8-E11 PolarHBondContact O-N 2.98Å; N9-E11 PolarHBondContact O-N 3.46Å; E11-A14 PolarHBondContact O-N 3.38Å; E11-F15 WeakPolarHBondContact O-CB 3.5Å; E11-F15 PolarHBondContact O-N 2.83Å |
| 12 | A | 85 | Confident | 80.6 | Confident | 40 Ų | 40 | 91.7 Ų | 91.7 | 33% | 0.331 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y8 N9 F15 I16 | Y8-A12 WeakPolarHBondContact O-CB 3.11Å; Y8-A12 PolarHBondContact O-N 3.34Å; N9-A12 PolarHBondContact O-N 3.04Å; A12-F15 PolarHBondContact O-N 3.45Å; A12-I16 WeakPolarHBondContact O-CD1 3.49Å; A12-I16 VanDerWaalsContact O-CG1 3.22Å; A12-I16 WeakPolarHBondContact O-CG1 3.3Å; A12-I16 PolarHBondContact O-N 2.9Å |
| 13 | D | 88.3 | Confident | 82.1 | Confident | 94 Ų | 94 | 88.9 Ų | 88.9 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 177.4 | -72.6 | -16.7 | 0 | 0 | 0 | 111.1 | N9 F15 I16 L17 | N9-D13 WeakPolarHBondContact O-CB 3.47Å; N9-D13 PolarHBondContact O-N 3.39Å; D13-F15 PolarHBondContact O-N 3.02Å; D13-I16 PolarHBondContact O-N 3.29Å; D13-L17 VanDerWaalsContact O-CG 3.3Å; D13-L17 WeakPolarHBondContact O-CG 3.22Å; D13-L17 PolarHBondContact O-N 3.49Å |
| 14 | A | 87.6 | Confident | 83.5 | Confident | 38 Ų | 38 | 88 Ų | 88 | 31% | 0.314 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H10 E11 I16 L17 D18 | H10-A14 WeakPolarHBondContact O-CB 3.32Å; H10-A14 PolarHBondContact O-N 2.97Å; E11-A14 PolarHBondContact O-N 3.38Å; A14-I16 PolarHBondContact O-N 3.24Å; A14-L17 PolarHBondContact O-N 3.28Å; A14-D18 PolarHBondContact O-N 2.93Å |
| 15 | F | 87 | Confident | 84.8 | Confident | 45 Ų | 45 | 86.4 Ų | 86.4 | 20% | 0.197 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 176 | 174.9 | -90.2 | 0 | 0 | 0 | 112.7 | E11 A12 D13 L17 D18 Y19 L136 K139 F140 | E11-F15 WeakPolarHBondContact O-CB 3.5Å; E11-F15 PolarHBondContact O-N 2.83Å; A12-F15 PolarHBondContact O-N 3.45Å; D13-F15 PolarHBondContact O-N 3.02Å; F15-L17 VanDerWaalsContact C-N 3.32Å; F15-D18 PolarHBondContact O-N 2.61Å; F15-Y19 WeakPolarHBondContact O-CB 3.48Å; F15-Y19 PolarHBondContact O-N 3.39Å; F15-L136 HydrophobicContact CD2-CD2 4.23Å; F15-L136 HydrophobicContact CE2-CB 3.91Å; F15-L136 HydrophobicContact CE2-CD2 3.63Å; F15-L136 HydrophobicContact CE2-CG 4.27Å; F15-L136 HydrophobicContact CZ-CB 3.87Å; F15-L136 HydrophobicContact CZ-CD2 4.44Å; F15-L136 VanDerWaalsContact CZ-O 3.31Å; F15-L136 WeakPolarHBondContact CZ-O 3.48Å; F15-K139 HydrophobicContact CE2-CD 4.41Å; F15-F140 HydrophobicContact CD1-CD2 4.37Å; F15-F140 AromaticContact CE1-CD2 3.88Å; F15-F140 HydrophobicContact CE1-CD2 3.88Å |
| 16 | I | 88.6 | Confident | 86.1 | Confident | 78 Ų | 78 | 84.9 Ų | 84.9 | 40% | 0.4 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 176.8 | -70.3 | 163.6 | 0 | 0 | 0 | 110.1 | A12 D13 A14 Y19 L20 | A12-I16 WeakPolarHBondContact O-CD1 3.49Å; A12-I16 VanDerWaalsContact O-CG1 3.22Å; A12-I16 WeakPolarHBondContact O-CG1 3.3Å; A12-I16 PolarHBondContact O-N 2.9Å; D13-I16 PolarHBondContact O-N 3.29Å; A14-I16 PolarHBondContact O-N 3.24Å; I16-Y19 PolarHBondContact O-N 2.94Å; I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 HydrophobicContact CG2-CG 4.29Å; I16-L20 WeakPolarHBondContact O-CB 3.45Å; I16-L20 VanDerWaalsContact O-CG 3.26Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 2.92Å |
| 17 | L | 91.2 | Very high | 87.5 | Confident | 113 Ų | 113 | 81.5 Ų | 81.5 | 59% | 0.592 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.4 | -47.8 | 176 | -70.9 | 172.5 | 0 | 0 | 0 | 111.5 | D13 A14 F15 Y19 L20 E21 | D13-L17 VanDerWaalsContact O-CG 3.3Å; D13-L17 WeakPolarHBondContact O-CG 3.22Å; D13-L17 PolarHBondContact O-N 3.49Å; A14-L17 PolarHBondContact O-N 3.28Å; F15-L17 VanDerWaalsContact C-N 3.32Å; L17-Y19 VanDerWaalsContact C-N 3.31Å; L17-Y19 PolarHBondContact O-N 2.89Å; L17-L20 PolarHBondContact O-N 3.47Å; L17-E21 WeakPolarHBondContact O-CB 3.4Å; L17-E21 PolarHBondContact O-N 3.31Å |
| 18 | D | 89.9 | Confident | 88.9 | Confident | 81 Ų | 81 | 84 Ų | 84 | 43% | 0.433 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 176.5 | -73 | -10.2 | 0 | 0 | 0 | 111.7 | A14 F15 E21 M22 | A14-D18 PolarHBondContact O-N 2.93Å; F15-D18 PolarHBondContact O-N 2.61Å; D18-E21 PolarHBondContact O-N 3.26Å; D18-M22 VanDerWaalsContact O-CG 3.32Å; D18-M22 WeakPolarHBondContact O-CG 3.43Å; D18-M22 PolarHBondContact O-N 3.4Å |
| 19 | Y | 91.1 | Very high | 90.1 | Very high | 60 Ų | 60 | 80.2 Ų | 80.2 | 24% | 0.235 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 177.4 | 176.7 | -103 | 0 | 0 | 0 | 112.3 | F15 I16 L17 M22 L23 I133 L136 M137 | F15-Y19 WeakPolarHBondContact O-CB 3.48Å; F15-Y19 PolarHBondContact O-N 3.39Å; I16-Y19 PolarHBondContact O-N 2.94Å; L17-Y19 VanDerWaalsContact C-N 3.31Å; L17-Y19 PolarHBondContact O-N 2.89Å; Y19-M22 PolarHBondContact O-N 3.27Å; Y19-L23 HydrophobicContact CD1-CD1 3.8Å; Y19-L23 HydrophobicContact CD1-CG 4.35Å; Y19-L23 HydrophobicContact CE1-CD1 3.18Å; Y19-L23 HydrophobicContact CE1-CG 3.93Å; Y19-L23 HydrophobicContact CE2-CD1 4.35Å; Y19-L23 HydrophobicContact CE2-CG 4.28Å; Y19-L23 VanDerWaalsContact CZ-CD1 3.49Å; Y19-L23 WeakPolarHBondContact O-CB 3.26Å; Y19-L23 WeakPolarHBondContact O-CG 3.42Å; Y19-L23 PolarHBondContact O-N 2.7Å; Y19-I133 HydrophobicContact CE2-CG2 3.88Å; Y19-L136 HydrophobicContact CD2-CB 4.49Å; Y19-L136 HydrophobicContact CD2-CD1 4.36Å; Y19-M137 HydrophobicContact CD2-SD 4.47Å; Y19-M137 HydrophobicContact CE2-CG 3.89Å; Y19-M137 HydrophobicContact CE2-SD 3.63Å |
| 20 | L | 92.6 | Very high | 90.9 | Very high | 93 Ų | 93 | 80.5 Ų | 80.5 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | 177.5 | -72.7 | 175.2 | 0 | 0 | 0 | 111.8 | I16 L17 L23 D24 | I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 HydrophobicContact CG2-CG 4.29Å; I16-L20 WeakPolarHBondContact O-CB 3.45Å; I16-L20 VanDerWaalsContact O-CG 3.26Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 2.92Å; L17-L20 PolarHBondContact O-N 3.47Å; L20-L23 PolarHBondContact O-N 3.48Å; L20-D24 WeakPolarHBondContact O-CB 3.37Å; L20-D24 PolarHBondContact O-N 2.99Å |
| 21 | E | 93.2 | Very high | 91.6 | Very high | 123 Ų | 123 | 80.4 Ų | 80.4 | 58% | 0.575 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.3 | -46.2 | 174.7 | -173.8 | 172.9 | -167.7 | 0 | 0 | 111.3 | L17 D18 L23 D24 D25 | L17-E21 WeakPolarHBondContact O-CB 3.4Å; L17-E21 PolarHBondContact O-N 3.31Å; D18-E21 PolarHBondContact O-N 3.26Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 3.43Å; E21-D24 PolarHBondContact O-N 3.46Å; E21-D25 PolarHBondContact O-N 2.93Å |
| 22 | M | 91.3 | Very high | 92.1 | Very high | 49 Ų | 49 | 76.6 Ų | 76.6 | 24% | 0.241 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 176.1 | -70.1 | -171.8 | -149.7 | 0 | 0 | 112.8 | D18 Y19 Y26 K132 I133 L136 | D18-M22 VanDerWaalsContact O-CG 3.32Å; D18-M22 WeakPolarHBondContact O-CG 3.43Å; D18-M22 PolarHBondContact O-N 3.4Å; Y19-M22 PolarHBondContact O-N 3.27Å; M22-Y26 VanDerWaalsContact O-CB 3.31Å; M22-Y26 WeakPolarHBondContact O-CB 3.48Å; M22-Y26 PolarHBondContact O-N 3Å; M22-K132 HydrophobicContact SD-CB 3.99Å; M22-I133 HydrophobicContact CB-CG1 4.11Å; M22-L136 HydrophobicContact CE-CD1 3.58Å; M22-L136 HydrophobicContact CE-CG 4.4Å; M22-L136 HydrophobicContact SD-CD1 3.43Å; M22-L136 WeakPolarHBondContact SD-CD1 3.47Å; M22-L136 HydrophobicContact SD-CG 4.31Å |
| 23 | L | 93.7 | Very high | 92.6 | Very high | 50 Ų | 50 | 75.9 Ų | 75.9 | 26% | 0.262 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 174.5 | -82.9 | -178.2 | 0 | 0 | 0 | 112.2 | Y19 L20 E21 Y26 V27 I133 | Y19-L23 HydrophobicContact CD1-CD1 3.8Å; Y19-L23 HydrophobicContact CD1-CG 4.35Å; Y19-L23 HydrophobicContact CE1-CD1 3.18Å; Y19-L23 HydrophobicContact CE1-CG 3.93Å; Y19-L23 HydrophobicContact CE2-CD1 4.35Å; Y19-L23 HydrophobicContact CE2-CG 4.28Å; Y19-L23 VanDerWaalsContact CZ-CD1 3.49Å; Y19-L23 WeakPolarHBondContact O-CB 3.26Å; Y19-L23 WeakPolarHBondContact O-CG 3.42Å; Y19-L23 PolarHBondContact O-N 2.7Å; L20-L23 PolarHBondContact O-N 3.48Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 3.43Å; L23-Y26 WeakPolarHBondContact O-CB 3.32Å; L23-Y26 PolarHBondContact O-N 2.9Å; L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3.31Å; L23-V27 PolarHBondContact O-N 3.3Å; L23-I133 HydrophobicContact CD2-CD1 4.12Å |
| 24 | D | 95.3 | Very high | 92.9 | Very high | 78 Ų | 78 | 75.1 Ų | 75.1 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 178.1 | -171.7 | 33.6 | 0 | 0 | 0 | 110.7 | L20 E21 Y26 V27 R28 | L20-D24 WeakPolarHBondContact O-CB 3.37Å; L20-D24 PolarHBondContact O-N 2.99Å; E21-D24 PolarHBondContact O-N 3.46Å; D24-Y26 VanDerWaalsContact C-N 3.33Å; D24-Y26 PolarHBondContact O-N 2.91Å; D24-V27 PolarHBondContact O-N 3.39Å; D24-R28 VanDerWaalsContact CG-NE 3.33Å; D24-R28 WeakPolarHBondContact O-CB 3.29Å; D24-R28 VanDerWaalsContact O-CG 3.29Å; D24-R28 WeakPolarHBondContact O-CG 3.39Å; D24-R28 PolarHBondContact O-N 2.93Å; D24-R28 IonicContact OD1-NE 3.48Å; D24-R28 PolarHBondContact OD1-NE 2.86Å; D24-R28 IonicContact OD2-CZ 3.13Å; D24-R28 IonicContact OD2-NE 2.92Å; D24-R28 PolarHBondContact OD2-NE 3.43Å; D24-R28 IonicContact OD2-NH2 2.61Å; D24-R28 PolarHBondContact OD2-NH2 3.27Å |
| 25 | D | 94.4 | Very high | 93.2 | Very high | 58 Ų | 58 | 79.6 Ų | 79.6 | 31% | 0.31 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 173 | -84.9 | -5.4 | 0 | 0 | 0 | 112.3 | E21 R28 K29 L129 | E21-D25 PolarHBondContact O-N 2.93Å; D25-R28 PolarHBondContact O-N 2.95Å; D25-R28 IonicContact OD1-CZ 3.18Å; D25-R28 IonicContact OD1-NH1 2.7Å; D25-R28 PolarHBondContact OD1-NH1 3.4Å; D25-R28 IonicContact OD1-NH2 3.27Å; D25-R28 PolarHBondContact OD1-NH2 2.88Å; D25-K29 WeakPolarHBondContact O-CB 2.93Å; D25-K29 VanDerWaalsContact O-CG 3.25Å; D25-K29 WeakPolarHBondContact O-CG 3.31Å; D25-K29 PolarHBondContact O-N 3.36Å; D25-L129 HydrophobicContact CB-CD1 4.38Å |
| 26 | Y | 93.8 | Very high | 93.4 | Very high | 51 Ų | 51 | 82 Ų | 82 | 20% | 0.2 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 176.5 | 172.2 | -100.9 | 0 | 0 | 0 | 112.2 | M22 L23 D24 K29 K30 I126 L129 Q130 I133 | M22-Y26 VanDerWaalsContact O-CB 3.31Å; M22-Y26 WeakPolarHBondContact O-CB 3.48Å; M22-Y26 PolarHBondContact O-N 3Å; L23-Y26 WeakPolarHBondContact O-CB 3.32Å; L23-Y26 PolarHBondContact O-N 2.9Å; D24-Y26 VanDerWaalsContact C-N 3.33Å; D24-Y26 PolarHBondContact O-N 2.91Å; Y26-K29 PolarHBondContact O-N 3.28Å; Y26-K30 WeakPolarHBondContact O-CB 3.33Å; Y26-K30 PolarHBondContact O-N 2.95Å; Y26-I126 HydrophobicContact CD2-CG2 4.09Å; Y26-I126 HydrophobicContact CE2-CG2 3.54Å; Y26-L129 HydrophobicContact CD2-CB 4.3Å; Y26-Q130 HydrophobicContact CD2-CG 4.06Å; Y26-Q130 HydrophobicContact CE2-CG 3.37Å; Y26-Q130 PolarHBondContact OH-NE2 2.96Å; Y26-I133 HydrophobicContact CD2-CD1 4.33Å; Y26-I133 HydrophobicContact CG-CD1 4Å |
| 27 | V | 95.6 | Very high | 93.6 | Very high | 61 Ų | 61 | 80.8 Ų | 80.8 | 37% | 0.37 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 178 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | L23 D24 K29 K30 F31 | L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3.31Å; L23-V27 PolarHBondContact O-N 3.3Å; D24-V27 PolarHBondContact O-N 3.39Å; V27-K29 PolarHBondContact O-N 3.03Å; V27-K30 PolarHBondContact O-N 3.24Å; V27-F31 HydrophobicContact CG1-CD2 3.64Å; V27-F31 HydrophobicContact CG1-CE2 3.48Å; V27-F31 VanDerWaalsContact CG1-CE2 3.48Å; V27-F31 VanDerWaalsContact O-CD2 3.26Å; V27-F31 WeakPolarHBondContact O-CD2 3.25Å; V27-F31 PolarHBondContact O-N 3.35Å |
| 28 | R | 96.3 | Very high | 93.7 | Very high | 133 Ų | 133 | 81.8 Ų | 81.8 | 50% | 0.502 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 176.7 | -74.2 | -170.1 | -112.1 | 131.1 | -6.7 | 111.7 | D24 D25 F31 E32 | D24-R28 VanDerWaalsContact CG-NE 3.33Å; D24-R28 WeakPolarHBondContact O-CB 3.29Å; D24-R28 VanDerWaalsContact O-CG 3.29Å; D24-R28 WeakPolarHBondContact O-CG 3.39Å; D24-R28 PolarHBondContact O-N 2.93Å; D24-R28 IonicContact OD1-NE 3.48Å; D24-R28 PolarHBondContact OD1-NE 2.86Å; D24-R28 IonicContact OD2-CZ 3.13Å; D24-R28 IonicContact OD2-NE 2.92Å; D24-R28 PolarHBondContact OD2-NE 3.43Å; D24-R28 IonicContact OD2-NH2 2.61Å; D24-R28 PolarHBondContact OD2-NH2 3.27Å; D25-R28 PolarHBondContact O-N 2.95Å; D25-R28 IonicContact OD1-CZ 3.18Å; D25-R28 IonicContact OD1-NH1 2.7Å; D25-R28 PolarHBondContact OD1-NH1 3.4Å; D25-R28 IonicContact OD1-NH2 3.27Å; D25-R28 PolarHBondContact OD1-NH2 2.88Å; R28-F31 PolarHBondContact O-N 2.89Å; R28-E32 PolarHBondContact O-N 3.27Å; R28-E32 VanDerWaalsContact O-N 3.11Å |
| 29 | K | 94.2 | Very high | 93.7 | Very high | 77 Ų | 77 | 82.3 Ų | 82.3 | 34% | 0.335 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 177.6 | -69.9 | -73.7 | 179.6 | 170.6 | 0 | 112.5 | D25 Y26 V27 E32 L33 L122 E125 I126 L129 | D25-K29 WeakPolarHBondContact O-CB 2.93Å; D25-K29 VanDerWaalsContact O-CG 3.25Å; D25-K29 WeakPolarHBondContact O-CG 3.31Å; D25-K29 PolarHBondContact O-N 3.36Å; Y26-K29 PolarHBondContact O-N 3.28Å; V27-K29 PolarHBondContact O-N 3.03Å; K29-E32 PolarHBondContact O-N 2.95Å; K29-L33 PolarHBondContact O-N 2.94Å; K29-L122 HydrophobicContact CD-CD2 3.78Å; K29-E125 WeakPolarHBondContact CE-OE2 3.48Å; K29-E125 IonicContact NZ-OE2 2.94Å; K29-E125 PolarHBondContact NZ-OE2 3.19Å; K29-I126 HydrophobicContact CB-CD1 4.29Å; K29-I126 HydrophobicContact CB-CG1 3.77Å; K29-L129 HydrophobicContact CG-CD1 4.15Å |
| 30 | K | 95.3 | Very high | 93.7 | Very high | 97 Ų | 97 | 79.7 Ų | 79.7 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 175.9 | -175 | 179.4 | 175.3 | -174.5 | 0 | 112.1 | Y26 V27 E32 L33 E34 | Y26-K30 WeakPolarHBondContact O-CB 3.33Å; Y26-K30 PolarHBondContact O-N 2.95Å; V27-K30 PolarHBondContact O-N 3.24Å; K30-E32 VanDerWaalsContact C-N 3.35Å; K30-E32 PolarHBondContact O-N 2.67Å; K30-L33 WeakPolarHBondContact O-CB 3.43Å; K30-L33 PolarHBondContact O-N 3.15Å; K30-E34 WeakPolarHBondContact O-CG 3.28Å; K30-E34 PolarHBondContact O-N 3.29Å |
| 31 | F | 95.9 | Very high | 93.7 | Very high | 137 Ų | 137 | 82.7 Ų | 82.7 | 60% | 0.601 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 175 | -85.6 | -68.9 | 0 | 0 | 0 | 112.4 | V27 R28 E34 R35 | V27-F31 HydrophobicContact CG1-CD2 3.64Å; V27-F31 HydrophobicContact CG1-CE2 3.48Å; V27-F31 VanDerWaalsContact CG1-CE2 3.48Å; V27-F31 VanDerWaalsContact O-CD2 3.26Å; V27-F31 WeakPolarHBondContact O-CD2 3.25Å; V27-F31 PolarHBondContact O-N 3.35Å; R28-F31 PolarHBondContact O-N 2.89Å; F31-E34 PolarHBondContact O-N 3.26Å; F31-R35 WeakPolarHBondContact O-CB 3.48Å; F31-R35 PolarHBondContact O-N 3.31Å |
| 32 | E | 94.4 | Very high | 93.6 | Very high | 53 Ų | 53 | 83.4 Ų | 83.4 | 25% | 0.248 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.3 | -179.9 | 60.1 | -167.2 | 0 | 0 | 111.5 | R28 K29 K30 R35 R36 L122 | R28-E32 PolarHBondContact O-N 3.27Å; R28-E32 VanDerWaalsContact O-N 3.11Å; K29-E32 PolarHBondContact O-N 2.95Å; K30-E32 VanDerWaalsContact C-N 3.35Å; K30-E32 PolarHBondContact O-N 2.67Å; E32-R35 WeakPolarHBondContact O-CB 3.31Å; E32-R35 PolarHBondContact O-N 3.44Å; E32-R35 IonicContact OE1-CZ 2.69Å; E32-R35 IonicContact OE1-NE 3.62Å; E32-R35 IonicContact OE1-NH2 2.77Å; E32-R35 PolarHBondContact OE1-NH2 2.96Å; E32-R35 IonicContact OE2-CZ 2.67Å; E32-R35 VanDerWaalsContact OE2-CZ 3.29Å; E32-R35 IonicContact OE2-NE 3.29Å; E32-R35 PolarHBondContact OE2-NE 3.19Å; E32-R35 IonicContact OE2-NH2 2.95Å; E32-R35 PolarHBondContact OE2-NH2 3.38Å; E32-R36 VanDerWaalsContact O-CG 3.28Å; E32-R36 WeakPolarHBondContact O-CG 3.42Å; E32-R36 PolarHBondContact O-N 3.38Å; E32-R36 IonicContact OE1-CZ 2.8Å; E32-R36 VanDerWaalsContact OE1-CZ 3.3Å; E32-R36 IonicContact OE1-NE 3.3Å; E32-R36 PolarHBondContact OE1-NE 3.32Å; E32-R36 IonicContact OE1-NH2 3.8Å; E32-R36 PolarHBondContact OE1-NH2 2.93Å; E32-L122 HydrophobicContact CB-CD1 4.43Å; E32-L122 HydrophobicContact CG-CD1 3.75Å; E32-L122 HydrophobicContact CG-CD2 4.27Å |
| 33 | L | 95.2 | Very high | 93.6 | Very high | 24 Ų | 24 | 81.7 Ų | 81.7 | 13% | 0.126 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.5 | -49 | 173.8 | 174.1 | 63.4 | 0 | 0 | 0 | 111.6 | K29 K30 R35 R36 L37 A119 L122 V123 I126 | K29-L33 PolarHBondContact O-N 2.94Å; K30-L33 WeakPolarHBondContact O-CB 3.43Å; K30-L33 PolarHBondContact O-N 3.15Å; L33-R35 VanDerWaalsContact C-N 3.29Å; L33-R35 PolarHBondContact O-N 2.89Å; L33-R36 PolarHBondContact O-N 3.04Å; L33-L37 HydrophobicContact CD1-CD1 3.98Å; L33-L37 HydrophobicContact CD1-CG 4.03Å; L33-L37 HydrophobicContact CG-CD1 3.93Å; L33-L37 HydrophobicContact CG-CG 4.39Å; L33-L37 WeakPolarHBondContact O-CG 3.31Å; L33-L37 PolarHBondContact O-N 2.94Å; L33-A119 HydrophobicContact CD1-CB 4.08Å; L33-A119 WeakPolarHBondContact CD1-O 2.93Å; L33-L122 HydrophobicContact CB-CB 4.32Å; L33-L122 HydrophobicContact CB-CD1 4.5Å; L33-L122 HydrophobicContact CD1-CB 4.28Å; L33-V123 HydrophobicContact CD1-CG2 3.78Å; L33-V123 HydrophobicContact CD2-CG2 3.69Å; L33-V123 HydrophobicContact CG-CG2 4.41Å; L33-I126 HydrophobicContact CB-CD1 3.92Å; L33-I126 HydrophobicContact CD2-CD1 3.64Å; L33-I126 HydrophobicContact CG-CD1 4.4Å |
| 34 | E | 94.5 | Very high | 93.3 | Very high | 78 Ų | 78 | 81.9 Ų | 81.9 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 178.5 | -74.6 | -176.7 | -171.2 | 0 | 0 | 112 | K30 F31 L37 K38 | K30-E34 WeakPolarHBondContact O-CG 3.28Å; K30-E34 PolarHBondContact O-N 3.29Å; F31-E34 PolarHBondContact O-N 3.26Å; E34-L37 PolarHBondContact O-N 3.11Å; E34-K38 VanDerWaalsContact O-CG 3.3Å; E34-K38 WeakPolarHBondContact O-CG 3.46Å; E34-K38 PolarHBondContact O-N 3.29Å |
| 35 | R | 93.2 | Very high | 93 | Very high | 132 Ų | 132 | 80.2 Ų | 80.2 | 50% | 0.498 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 176.1 | -169.4 | -179 | 71.7 | 93.8 | -4.6 | 111.6 | F31 E32 L33 K38 E39 | F31-R35 WeakPolarHBondContact O-CB 3.48Å; F31-R35 PolarHBondContact O-N 3.31Å; E32-R35 WeakPolarHBondContact O-CB 3.31Å; E32-R35 PolarHBondContact O-N 3.44Å; E32-R35 IonicContact OE1-CZ 2.69Å; E32-R35 IonicContact OE1-NE 3.62Å; E32-R35 IonicContact OE1-NH2 2.77Å; E32-R35 PolarHBondContact OE1-NH2 2.96Å; E32-R35 IonicContact OE2-CZ 2.67Å; E32-R35 VanDerWaalsContact OE2-CZ 3.29Å; E32-R35 IonicContact OE2-NE 3.29Å; E32-R35 PolarHBondContact OE2-NE 3.19Å; E32-R35 IonicContact OE2-NH2 2.95Å; E32-R35 PolarHBondContact OE2-NH2 3.38Å; L33-R35 VanDerWaalsContact C-N 3.29Å; L33-R35 PolarHBondContact O-N 2.89Å; R35-K38 PolarHBondContact O-N 3.2Å; R35-E39 PolarHBondContact O-N 3.45Å |
| 36 | R | 91.7 | Very high | 92.8 | Very high | 95 Ų | 95 | 82.6 Ų | 82.6 | 36% | 0.358 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 177.7 | -65 | -67.1 | 176.2 | 165.4 | 4.7 | 112.4 | E32 L33 E39 C40 A119 L122 | E32-R36 VanDerWaalsContact O-CG 3.28Å; E32-R36 WeakPolarHBondContact O-CG 3.42Å; E32-R36 PolarHBondContact O-N 3.38Å; E32-R36 IonicContact OE1-CZ 2.8Å; E32-R36 VanDerWaalsContact OE1-CZ 3.3Å; E32-R36 IonicContact OE1-NE 3.3Å; E32-R36 PolarHBondContact OE1-NE 3.32Å; E32-R36 IonicContact OE1-NH2 3.8Å; E32-R36 PolarHBondContact OE1-NH2 2.93Å; L33-R36 PolarHBondContact O-N 3.04Å; R36-E39 PolarHBondContact O-N 3.4Å; R36-C40 WeakPolarHBondContact O-CB 3.45Å; R36-C40 PolarHBondContact O-N 2.83Å; R36-A119 HydrophobicContact CB-CB 4.26Å; R36-L122 HydrophobicContact CG-CD1 4.07Å |
| 37 | L | 93.2 | Very high | 92.3 | Very high | 53 Ų | 53 | 80.3 Ų | 80.3 | 28% | 0.277 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 176.8 | -74.2 | 174.4 | 0 | 0 | 0 | 111.9 | L33 E34 E39 C40 W41 | L33-L37 HydrophobicContact CD1-CD1 3.98Å; L33-L37 HydrophobicContact CD1-CG 4.03Å; L33-L37 HydrophobicContact CG-CD1 3.93Å; L33-L37 HydrophobicContact CG-CG 4.39Å; L33-L37 WeakPolarHBondContact O-CG 3.31Å; L33-L37 PolarHBondContact O-N 2.94Å; E34-L37 PolarHBondContact O-N 3.11Å; L37-E39 PolarHBondContact O-N 2.92Å; L37-C40 PolarHBondContact O-N 2.96Å; L37-W41 HydrophobicContact CB-CH2 4.37Å; L37-W41 HydrophobicContact CB-CZ2 4.27Å; L37-W41 WeakPolarHBondContact O-CB 3.49Å; L37-W41 PolarHBondContact O-N 2.84Å |
| 38 | K | 92.7 | Very high | 91.7 | Very high | 134 Ų | 134 | 85.6 Ų | 85.6 | 58% | 0.583 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.2 | -46.8 | 174.7 | -74.6 | 171.1 | -174.8 | 172.3 | 0 | 111.9 | E34 R35 W41 Y42 | E34-K38 VanDerWaalsContact O-CG 3.3Å; E34-K38 WeakPolarHBondContact O-CG 3.46Å; E34-K38 PolarHBondContact O-N 3.29Å; R35-K38 PolarHBondContact O-N 3.2Å; K38-W41 PolarHBondContact O-N 3.41Å; K38-Y42 WeakPolarHBondContact O-CB 3.31Å; K38-Y42 PolarHBondContact O-N 3.44Å |
| 39 | E | 90.3 | Very high | 91.1 | Very high | 92 Ų | 92 | 84.9 Ų | 84.9 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 176.5 | -179.5 | 56.1 | -147.1 | 0 | 0 | 111.4 | R35 R36 L37 W41 Y42 Q43 | R35-E39 PolarHBondContact O-N 3.45Å; R36-E39 PolarHBondContact O-N 3.4Å; L37-E39 PolarHBondContact O-N 2.92Å; E39-W41 PolarHBondContact O-N 3.23Å; E39-Y42 PolarHBondContact O-N 2.69Å; E39-Q43 WeakPolarHBondContact O-CG 3.22Å; E39-Q43 PolarHBondContact O-N 3.1Å; E39-Q43 WeakPolarHBondContact OE1-CG 3.29Å; E39-Q43 PolarHBondContact OE1-NE2 3.11Å |
| 40 | C | 91.5 | Very high | 90.6 | Very high | 5 Ų | 5 | 85.3 Ų | 85.3 | 3% | 0.034 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.6 | -48.8 | 176.7 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | R36 L37 Y42 Q43 L44 A115 V116 | R36-C40 WeakPolarHBondContact O-CB 3.45Å; R36-C40 PolarHBondContact O-N 2.83Å; L37-C40 PolarHBondContact O-N 2.96Å; C40-Y42 VanDerWaalsContact C-N 3.33Å; C40-Y42 PolarHBondContact O-N 3.28Å; C40-Q43 PolarHBondContact O-N 2.8Å; C40-L44 WeakPolarHBondContact O-CG 3.39Å; C40-L44 PolarHBondContact O-N 3.42Å; C40-A115 HydrophobicContact CB-CB 4.5Å; C40-V116 WeakPolarHBondContact SG-CG2 3.39Å |
| 41 | W | 91.4 | Very high | 89.8 | Confident | 156 Ų | 156 | 82.1 Ų | 82.1 | 59% | 0.591 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64 | -37.5 | 178.9 | -67.7 | -21 | 0 | 0 | 0 | 112.7 | L37 K38 E39 L44 A45 | L37-W41 HydrophobicContact CB-CH2 4.37Å; L37-W41 HydrophobicContact CB-CZ2 4.27Å; L37-W41 WeakPolarHBondContact O-CB 3.49Å; L37-W41 PolarHBondContact O-N 2.84Å; K38-W41 PolarHBondContact O-N 3.41Å; E39-W41 PolarHBondContact O-N 3.23Å; W41-L44 PolarHBondContact O-N 2.98Å; W41-A45 WeakPolarHBondContact O-CB 3.33Å; W41-A45 PolarHBondContact O-N 3.15Å |
| 42 | Y | 92.6 | Very high | 89 | Confident | 138 Ų | 138 | 77.7 Ų | 77.7 | 54% | 0.541 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60 | -47.8 | 172.7 | 175.3 | -102.2 | 0 | 0 | 0 | 111.3 | K38 E39 C40 L44 A45 R46 | K38-Y42 WeakPolarHBondContact O-CB 3.31Å; K38-Y42 PolarHBondContact O-N 3.44Å; E39-Y42 PolarHBondContact O-N 2.69Å; C40-Y42 VanDerWaalsContact C-N 3.33Å; C40-Y42 PolarHBondContact O-N 3.28Å; Y42-L44 PolarHBondContact O-N 3.22Å; Y42-A45 PolarHBondContact O-N 2.76Å; Y42-R46 WeakPolarHBondContact O-CB 3.37Å; Y42-R46 PolarHBondContact O-N 3.15Å |
| 43 | Q | 90.4 | Very high | 87.7 | Confident | 14 Ų | 14 | 79.1 Ų | 79.1 | 7% | 0.065 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66 | -37.1 | 177.9 | -65 | -61.7 | -15.7 | 0 | 0 | 112.7 | E39 C40 R46 A47 T111 A112 | E39-Q43 WeakPolarHBondContact O-CG 3.22Å; E39-Q43 PolarHBondContact O-N 3.1Å; E39-Q43 WeakPolarHBondContact OE1-CG 3.29Å; E39-Q43 PolarHBondContact OE1-NE2 3.11Å; C40-Q43 PolarHBondContact O-N 2.8Å; Q43-R46 PolarHBondContact O-N 3.49Å; Q43-A47 WeakPolarHBondContact O-CB 3.46Å; Q43-A47 PolarHBondContact O-N 3.33Å; Q43-T111 HydrophobicContact CG-CG2 4.11Å; Q43-A112 HydrophobicContact CB-CB 3.85Å |
| 44 | L | 88 | Confident | 86.1 | Confident | 54 Ų | 54 | 84.7 Ų | 84.7 | 28% | 0.283 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 173.3 | -72.9 | 175 | 0 | 0 | 0 | 112 | C40 W41 Y42 A47 R48 L109 A112 | C40-L44 WeakPolarHBondContact O-CG 3.39Å; C40-L44 PolarHBondContact O-N 3.42Å; W41-L44 PolarHBondContact O-N 2.98Å; Y42-L44 PolarHBondContact O-N 3.22Å; L44-A47 PolarHBondContact O-N 2.95Å; L44-R48 WeakPolarHBondContact O-CG 3.26Å; L44-R48 PolarHBondContact O-N 3Å; L44-L109 HydrophobicContact CD2-CD1 3.83Å; L44-A112 HydrophobicContact CD2-CB 3.65Å; L44-A112 HydrophobicContact CG-CB 3.78Å |
| 45 | A | 88.6 | Confident | 84.5 | Confident | 42 Ų | 42 | 82.3 Ų | 82.3 | 35% | 0.347 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | W41 Y42 A47 R48 V49 | W41-A45 WeakPolarHBondContact O-CB 3.33Å; W41-A45 PolarHBondContact O-N 3.15Å; Y42-A45 PolarHBondContact O-N 2.76Å; A45-A47 VanDerWaalsContact C-N 3.34Å; A45-A47 PolarHBondContact O-N 2.91Å; A45-R48 WeakPolarHBondContact O-CB 3.4Å; A45-R48 PolarHBondContact O-N 3.43Å; A45-V49 PolarHBondContact O-N 2.95Å |
| 46 | R | 89.1 | Confident | 83.1 | Confident | 109 Ų | 109 | 83.3 Ų | 83.3 | 41% | 0.411 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 175.5 | -159.2 | 177.5 | 96.3 | -174.3 | 2.2 | 111.8 | Y42 Q43 R48 V49 C50 | Y42-R46 WeakPolarHBondContact O-CB 3.37Å; Y42-R46 PolarHBondContact O-N 3.15Å; Q43-R46 PolarHBondContact O-N 3.49Å; R46-R48 VanDerWaalsContact C-N 3.35Å; R46-R48 PolarHBondContact O-N 2.77Å; R46-V49 PolarHBondContact O-N 2.94Å; R46-C50 PolarHBondContact O-N 2.7Å; R46-C50 PolarHBondContact O-SG 2.86Å |
| 47 | A | 84.6 | Confident | 81.7 | Confident | 2 Ų | 2 | 80.9 Ų | 80.9 | 2% | 0.017 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q43 L44 A45 V49 C50 L51 S108 L109 | Q43-A47 WeakPolarHBondContact O-CB 3.46Å; Q43-A47 PolarHBondContact O-N 3.33Å; L44-A47 PolarHBondContact O-N 2.95Å; A45-A47 VanDerWaalsContact C-N 3.34Å; A45-A47 PolarHBondContact O-N 2.91Å; A47-V49 PolarHBondContact O-N 3.29Å; A47-C50 PolarHBondContact O-N 3.41Å; A47-L51 WeakPolarHBondContact O-CB 3.38Å; A47-L51 VanDerWaalsContact O-CG 3.26Å; A47-L51 WeakPolarHBondContact O-CG 3.14Å; A47-L51 PolarHBondContact O-N 2.94Å; A47-S108 VanDerWaalsContact CA-OG 3.23Å; A47-S108 WeakPolarHBondContact CA-OG 3.4Å; A47-S108 WeakPolarHBondContact CB-OG 3.36Å; A47-S108 PolarHBondContact N-OG 3.44Å; A47-L109 HydrophobicContact CB-CB 3.98Å; A47-L109 HydrophobicContact CB-CD1 4.32Å |
| 48 | R | 82.8 | Confident | 80.5 | Confident | 173 Ų | 173 | 80.8 Ų | 80.8 | 65% | 0.653 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.6 | -41.2 | 175.6 | -72.5 | -177.3 | -124.9 | 148 | -1.7 | 112.6 | L44 A45 R46 L51 G52 | L44-R48 WeakPolarHBondContact O-CG 3.26Å; L44-R48 PolarHBondContact O-N 3Å; A45-R48 WeakPolarHBondContact O-CB 3.4Å; A45-R48 PolarHBondContact O-N 3.43Å; R46-R48 VanDerWaalsContact C-N 3.35Å; R46-R48 PolarHBondContact O-N 2.77Å; R48-L51 PolarHBondContact O-N 2.9Å; R48-G52 PolarHBondContact O-N 3.42Å |
| 49 | V | 84.6 | Confident | 79.2 | Confident | 118 Ų | 118 | 83.3 Ų | 83.3 | 72% | 0.715 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | A45 R46 A47 L51 G52 | A45-V49 PolarHBondContact O-N 2.95Å; R46-V49 PolarHBondContact O-N 2.94Å; A47-V49 PolarHBondContact O-N 3.29Å; V49-L51 VanDerWaalsContact C-N 3.31Å; V49-L51 PolarHBondContact O-N 3.43Å; V49-G52 PolarHBondContact O-N 3.35Å |
| 50 | C | 83.3 | Confident | 78 | Confident | 86 Ų | 86 | 87 Ų | 87 | 58% | 0.581 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.3 | -33.6 | 178.4 | -67 | 0 | 0 | 0 | 0 | 113.6 | R46 A47 G52 P106 | R46-C50 PolarHBondContact O-N 2.7Å; R46-C50 PolarHBondContact O-SG 2.86Å; A47-C50 PolarHBondContact O-N 3.41Å; C50-G52 VanDerWaalsContact C-N 3.31Å; C50-P106 HydrophobicContact CB-CB 4.34Å; C50-P106 HydrophobicContact CB-CG 4.5Å |
| 51 | L | 78.1 | Confident | 76.9 | Confident | 30 Ų | 30 | 92.6 Ų | 92.6 | 16% | 0.157 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -77.4 | -16.4 | 177.9 | -75.8 | 172.2 | 0 | 0 | 0 | 113.3 | A47 R48 V49 T54 P106 | A47-L51 WeakPolarHBondContact O-CB 3.38Å; A47-L51 VanDerWaalsContact O-CG 3.26Å; A47-L51 WeakPolarHBondContact O-CG 3.14Å; A47-L51 PolarHBondContact O-N 2.94Å; R48-L51 PolarHBondContact O-N 2.9Å; V49-L51 VanDerWaalsContact C-N 3.31Å; V49-L51 PolarHBondContact O-N 3.43Å; L51-T54 PolarHBondContact O-OG1 3.11Å; L51-T54 VanDerWaalsContact O-OG1 3.07Å; L51-P106 HydrophobicContact CD1-CG 4.07Å; L51-P106 HydrophobicContact CD2-CG 3.49Å; L51-P106 VanDerWaalsContact CD2-CG 3.49Å; L51-P106 HydrophobicContact CG-CG 3.52Å |
| 52 | G | 78 | Confident | 75.7 | Confident | 43 Ų | 43 | 88 Ų | 88 | 44% | 0.443 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | -153.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R48 V49 C50 T54 | R48-G52 PolarHBondContact O-N 3.42Å; V49-G52 PolarHBondContact O-N 3.35Å; C50-G52 VanDerWaalsContact C-N 3.31Å; G52-T54 VanDerWaalsContact C-N 3.34Å |
| 53 | S | 66.9 | Low | 74.4 | Confident | 84 Ų | 84 | 85 Ų | 85 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -6.5 | 179.7 | -162.6 | 0 | 0 | 0 | 0 | 114.2 | K56 | S53-K56 WeakPolarHBondContact OG-CE 3.41Å; S53-K56 PolarHBondContact OG-NZ 3.45Å |
| 54 | T | 61.8 | Low | 73.2 | Confident | 141 Ų | 141 | 91.5 Ų | 91.5 | 87% | 0.865 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -24.7 | -172.1 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | L51 G52 | L51-T54 PolarHBondContact O-OG1 3.11Å; L51-T54 VanDerWaalsContact O-OG1 3.07Å; G52-T54 VanDerWaalsContact C-N 3.34Å |
| 55 | S | 61.3 | Low | 72.2 | Confident | 27 Ų | 27 | 99.6 Ų | 99.6 | 19% | 0.189 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 42.5 | 179.1 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | V57 | S55-V57 VanDerWaalsContact C-N 3.27Å; S55-V57 PolarHBondContact O-N 3.04Å |
| 56 | K | 63.6 | Low | 71 | Confident | 153 Ų | 153 | 103.5 Ų | 103.5 | 67% | 0.665 | 52% | 0.524 | S | S | * | . | trans | -75.4 | 83.2 | 165.8 | -71.4 | -179.5 | 179.8 | 167.9 | 0 | 108.7 | S53 S58 Q61 | S53-K56 WeakPolarHBondContact OG-CE 3.41Å; S53-K56 PolarHBondContact OG-NZ 3.45Å; K56-S58 PolarHBondContact O-N 3.32Å; K56-S58 VanDerWaalsContact O-N 3.1Å; K56-Q61 PolarHBondContact O-OE1 3.29Å | ||
| 57 | V | 63.3 | Low | 69.8 | Low | 44 Ų | 44 | 100.9 Ų | 100.9 | 27% | 0.267 | 52% | 0.517 | S | S | . | . | trans | -69.4 | 108.1 | 173.2 | -169.4 | 0 | 0 | 0 | 0 | 108 | S55 Q61 F62 F101 | S55-V57 VanDerWaalsContact C-N 3.27Å; S55-V57 PolarHBondContact O-N 3.04Å; V57-Q61 HydrophobicContact CG1-CB 3.59Å; V57-F62 HydrophobicContact CB-CE2 3.74Å; V57-F62 HydrophobicContact CB-CZ 4.08Å; V57-F62 HydrophobicContact CG1-CD2 3.73Å; V57-F62 HydrophobicContact CG1-CE1 4.4Å; V57-F62 HydrophobicContact CG1-CE2 3.25Å; V57-F62 HydrophobicContact CG1-CG 4.48Å; V57-F62 HydrophobicContact CG1-CZ 3.63Å; V57-F101 HydrophobicContact CB-CE1 4.2Å; V57-F101 HydrophobicContact CG2-CD1 3.61Å; V57-F101 HydrophobicContact CG2-CE1 3.64Å | ||
| 58 | S | 66.8 | Low | 68.9 | Low | 51 Ų | 51 | 105.3 Ų | 105.3 | 36% | 0.357 | 55% | 0.545 | S | S | . | . | trans | -73.2 | 158.7 | 177.7 | 79.3 | 0 | 0 | 0 | 0 | 110.3 | K56 L60 Q61 F62 | K56-S58 PolarHBondContact O-N 3.32Å; K56-S58 VanDerWaalsContact O-N 3.1Å; S58-L60 PolarHBondContact O-N 3.1Å; S58-L60 PolarHBondContact OG-N 3.25Å; S58-Q61 WeakPolarHBondContact O-CB 3.34Å; S58-Q61 PolarHBondContact O-N 2.99Å; S58-F62 WeakPolarHBondContact O-CD2 3.29Å | ||
| 59 | K | 65.6 | Low | 68.3 | Low | 188 Ų | 188 | 101 Ų | 101 | 82% | 0.817 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -54.5 | -25.6 | 173.6 | -69.7 | -175.6 | 178.9 | -178.2 | 0 | 112.6 | Q61 F62 | K59-Q61 VanDerWaalsContact C-N 3.31Å; K59-F62 PolarHBondContact O-N 3.16Å |
| 60 | L | 66.8 | Low | 67.7 | Low | 168 Ų | 168 | 97.5 Ų | 97.5 | 88% | 0.88 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -74.8 | -19 | 177.4 | -61.6 | 172.2 | 0 | 0 | 0 | 113.4 | S58 F62 | S58-L60 PolarHBondContact O-N 3.1Å; S58-L60 PolarHBondContact OG-N 3.25Å; L60-F62 VanDerWaalsContact C-N 3.33Å |
| 61 | Q | 67.7 | Low | 67.2 | Low | 123 Ų | 123 | 95.3 Ų | 95.3 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -89 | -6 | 175.9 | -68.9 | 171.1 | -54.3 | 0 | 0 | 112.2 | K56 V57 S58 K59 | K56-Q61 PolarHBondContact O-OE1 3.29Å; V57-Q61 HydrophobicContact CG1-CB 3.59Å; S58-Q61 WeakPolarHBondContact O-CB 3.34Å; S58-Q61 PolarHBondContact O-N 2.99Å; K59-Q61 VanDerWaalsContact C-N 3.31Å |
| 62 | F | 65.5 | Low | 67.2 | Low | 59 Ų | 59 | 96.4 Ų | 96.4 | 26% | 0.259 | 51% | 0.509 | S | S | . | . | trans | -97.4 | 103.4 | 170.9 | -74 | -78.2 | 0 | 0 | 0 | 109.3 | V57 S58 K59 L60 F64 F101 | V57-F62 HydrophobicContact CB-CE2 3.74Å; V57-F62 HydrophobicContact CB-CZ 4.08Å; V57-F62 HydrophobicContact CG1-CD2 3.73Å; V57-F62 HydrophobicContact CG1-CE1 4.4Å; V57-F62 HydrophobicContact CG1-CE2 3.25Å; V57-F62 HydrophobicContact CG1-CG 4.48Å; V57-F62 HydrophobicContact CG1-CZ 3.63Å; S58-F62 WeakPolarHBondContact O-CD2 3.29Å; K59-F62 PolarHBondContact O-N 3.16Å; L60-F62 VanDerWaalsContact C-N 3.33Å; F62-F64 HydrophobicContact CB-CE1 4.5Å; F62-F64 HydrophobicContact CB-CE2 4.1Å; F62-F64 HydrophobicContact CB-CZ 4.01Å; F62-F101 HydrophobicContact CE1-CZ 4.4Å; F62-F101 HydrophobicContact CZ-CE1 4.13Å; F62-F101 AromaticContact CZ-CZ 3.92Å; F62-F101 HydrophobicContact CZ-CZ 3.92Å | ||
| 63 | D | 64.7 | Low | 67.3 | Low | 77 Ų | 77 | 99.2 Ų | 99.2 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | trans | -86.7 | 114.6 | 160 | -160.5 | -19.4 | 0 | 0 | 0 | 108.9 | R65 | D63-R65 VanDerWaalsContact C-N 3.31Å; D63-R65 VanDerWaalsContact OD1-CB 3.27Å; D63-R65 WeakPolarHBondContact OD1-CB 3.49Å; D63-R65 VanDerWaalsContact OD1-CG 3.29Å; D63-R65 WeakPolarHBondContact OD1-CG 3.31Å; D63-R65 PolarHBondContact OD1-N 2.99Å | ||
| 64 | F | 66.3 | Low | 67.9 | Low | 150 Ų | 150 | 100.1 Ų | 100.1 | 66% | 0.658 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -80.5 | -13.3 | 178.5 | -63.5 | -79.2 | 0 | 0 | 0 | 112.6 | F62 D66 | F62-F64 HydrophobicContact CB-CE1 4.5Å; F62-F64 HydrophobicContact CB-CE2 4.1Å; F62-F64 HydrophobicContact CB-CZ 4.01Å; F64-D66 VanDerWaalsContact C-N 3.27Å; F64-D66 PolarHBondContact O-N 3.01Å |
| 65 | R | 67.1 | Low | 68.7 | Low | 223 Ų | 223 | 97.4 Ų | 97.4 | 84% | 0.842 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -28.7 | -176.2 | -65.1 | 173.8 | 175.8 | -174.4 | -0.8 | 112.7 | D63 | D63-R65 VanDerWaalsContact C-N 3.31Å; D63-R65 VanDerWaalsContact OD1-CB 3.27Å; D63-R65 WeakPolarHBondContact OD1-CB 3.49Å; D63-R65 VanDerWaalsContact OD1-CG 3.29Å; D63-R65 WeakPolarHBondContact OD1-CG 3.31Å; D63-R65 PolarHBondContact OD1-N 2.99Å |
| 66 | D | 63.6 | Low | 69.5 | Low | 124 Ų | 124 | 98.7 Ų | 98.7 | 66% | 0.663 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 9 | -175.3 | -61.6 | -28.3 | 0 | 0 | 0 | 113.7 | F64 | F64-D66 VanDerWaalsContact C-N 3.27Å; F64-D66 PolarHBondContact O-N 3.01Å |
| 67 | Q | 64.4 | Low | 69.8 | Low | 54 Ų | 54 | 101 Ų | 101 | 25% | 0.252 | 51% | 0.514 | S | S | . | . | trans | -112.3 | 113 | -176.9 | -64.8 | -154.5 | -74.8 | 0 | 0 | 112 | R100 | Q67-R100 VanDerWaalsContact CD-CZ 3.42Š| ||
| 68 | P | 65.2 | Low | 70 | Confident | 95 Ų | 95 | 105 Ų | 105 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | trans | -66.3 | 139.4 | 171 | 28.1 | -32.9 | 0 | 0 | 0 | 110 | I70 | P68-I70 PolarHBondContact O-N 2.9Š| ||
| 69 | S | 70.6 | Confident | 70.1 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 58% | 0.58 | 52% | 0.524 | S | S | * | . | trans | -59 | 122.7 | 172.8 | -61.6 | 0 | 0 | 0 | 0 | 110 | L71 S87 | S69-L71 VanDerWaalsContact C-N 3.29Å; S69-L71 PolarHBondContact O-N 2.87Å; S69-S87 PolarHBondContact O-OG 2.99Å | ||
| 70 | I | 70.3 | Confident | 70.1 | Confident | 45 Ų | 45 | 97.7 Ų | 97.7 | 23% | 0.231 | 50% | 0.503 | C | S | . | . | S | Bend | trans | -61.2 | -41.9 | 178.7 | -58 | 172.8 | 0 | 0 | 0 | 110.9 | P68 V93 T97 | P68-I70 PolarHBondContact O-N 2.9Å; I70-V93 HydrophobicContact CB-CG1 4.09Å; I70-V93 HydrophobicContact CD1-CG1 3.3Å; I70-V93 HydrophobicContact CG1-CB 4.5Å; I70-V93 HydrophobicContact CG1-CG1 3.33Å; I70-V93 HydrophobicContact CG1-CG2 4.4Å; I70-V93 HydrophobicContact CG2-CB 4.39Å; I70-V93 HydrophobicContact CG2-CG1 3.73Å; I70-V93 HydrophobicContact CG2-CG2 4.16Å; I70-T97 HydrophobicContact CD1-CG2 4.24Å |
| 71 | L | 74.2 | Confident | 70.3 | Confident | 39 Ų | 39 | 94 Ų | 94 | 20% | 0.204 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.9 | 177.7 | -67.8 | 111 | 0 | 0 | 0 | 108.1 | S69 L84 F86 I120 | S69-L71 VanDerWaalsContact C-N 3.29Å; S69-L71 PolarHBondContact O-N 2.87Å; L71-L84 HydrophobicContact CB-CD2 4.4Å; L71-L84 HydrophobicContact CD2-CD1 4.37Å; L71-L84 HydrophobicContact CD2-CD2 4.04Å; L71-F86 HydrophobicContact CD1-CE1 4.3Å; L71-F86 HydrophobicContact CD2-CD1 4.01Å; L71-F86 HydrophobicContact CD2-CE1 3.34Å; L71-F86 HydrophobicContact CD2-CE2 4.26Å; L71-F86 HydrophobicContact CD2-CZ 3.49Å; L71-F86 VanDerWaalsContact CD2-CZ 3.49Å; L71-F86 HydrophobicContact CG-CD1 3.98Å; L71-F86 HydrophobicContact CG-CE1 3.69Å; L71-F86 HydrophobicContact CG-CZ 4.33Å; L71-I120 HydrophobicContact CD1-CD1 3.84Å |
| 72 | T | 77.2 | Confident | 70.7 | Confident | 54 Ų | 54 | 91.1 Ų | 91.1 | 33% | 0.331 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 149 | 169.5 | 53.1 | 0 | 0 | 0 | 0 | 109 | M85 | T72-M85 PolarHBondContact N-O 3.01Å; T72-M85 PolarHBondContact O-N 3.2Å; T72-M85 PolarHBondContact OG1-O 2.98Å |
| 73 | L | 80.5 | Confident | 71.1 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 53% | 0.534 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 118.8 | 177.4 | -75.8 | 164.4 | 0 | 0 | 0 | 108.2 | L84 C124 | L73-L84 HydrophobicContact CD2-CD2 3.31Å; L73-L84 HydrophobicContact CD2-CG 3.91Å; L73-L84 HydrophobicContact CG-CD2 3.94Å; L73-C124 WeakPolarHBondContact CD2-SG 3.43Å |
| 74 | E | 79.4 | Confident | 71.4 | Confident | 102 Ų | 102 | 92 Ų | 92 | 48% | 0.477 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.7 | 166.2 | -71.8 | -179 | -175.4 | 0 | 0 | 108 | K83 M85 | E74-K83 PolarHBondContact N-O 3.45Å; E74-K83 PolarHBondContact O-N 3.21Å; E74-M85 HydrophobicContact CB-CG 4.36Å; E74-M85 VanDerWaalsContact CD-CG 3.48Å; E74-M85 HydrophobicContact CG-CG 3.91Å |
| 75 | V | 78.7 | Confident | 71.5 | Confident | 84 Ų | 84 | 88 Ų | 88 | 51% | 0.509 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 120.3 | 174.2 | -176.4 | 0 | 0 | 0 | 0 | 106.4 | F82 | V75-F82 HydrophobicContact CG1-CE1 4.38Å; V75-F82 HydrophobicContact CG2-CD1 3.94Å; V75-F82 HydrophobicContact CG2-CE1 4.07Å |
| 76 | S | 77.2 | Confident | 71.4 | Confident | 55 Ų | 55 | 81.9 Ų | 81.9 | 39% | 0.385 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 150.4 | 172.5 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | D78 G79 V81 | S76-D78 PolarHBondContact O-N 3.15Å; S76-D78 VanDerWaalsContact O-N 3.15Å; S76-G79 VanDerWaalsContact O-CA 3.29Å; S76-G79 WeakPolarHBondContact O-CA 3.32Å; S76-G79 PolarHBondContact O-N 2.87Å; S76-V81 PolarHBondContact N-O 3.37Å; S76-V81 VanDerWaalsContact N-O 3.1Å |
| 77 | E | 71.5 | Confident | 71.1 | Confident | 202 Ų | 202 | 79.1 Ų | 79.1 | 94% | 0.944 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -32.6 | -176.1 | -64.7 | -177.4 | 175.5 | 0 | 0 | 113.1 | G79 | E77-G79 PolarHBondContact O-N 3.01Š|
| 78 | D | 66.6 | Low | 70.9 | Confident | 127 Ų | 127 | 78.7 Ų | 78.7 | 68% | 0.679 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -9 | 175.6 | -58.6 | -41.6 | 0 | 0 | 0 | 112.9 | S76 D80 K131 | S76-D78 PolarHBondContact O-N 3.15Å; S76-D78 VanDerWaalsContact O-N 3.15Å; D78-D80 PolarHBondContact O-N 3.37Å; D78-D80 VanDerWaalsContact O-N 3.15Å; D78-K131 PolarHBondContact O-NZ 3.36Å |
| 79 | G | 69.9 | Low | 70.7 | Confident | 16 Ų | 16 | 78.6 Ų | 78.6 | 17% | 0.165 | 43% | 0.429 | C | S | . | . | S | Bend | trans | 66.3 | 8.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S76 E77 K131 | S76-G79 VanDerWaalsContact O-CA 3.29Å; S76-G79 WeakPolarHBondContact O-CA 3.32Å; S76-G79 PolarHBondContact O-N 2.87Å; E77-G79 PolarHBondContact O-N 3.01Å; G79-K131 WeakPolarHBondContact O-CD 3.35Å; G79-K131 PolarHBondContact O-NZ 3.13Å |
| 80 | D | 65.2 | Low | 70.1 | Confident | 70 Ų | 70 | 77.1 Ų | 77.1 | 37% | 0.374 | 41% | 0.413 | S | S | . | . | trans | -93.2 | -22.2 | -172.2 | -78.8 | -8.2 | 0 | 0 | 0 | 113.1 | D78 A128 K131 | D78-D80 PolarHBondContact O-N 3.37Å; D78-D80 VanDerWaalsContact O-N 3.15Å; D80-A128 WeakPolarHBondContact O-CB 3.04Å; D80-K131 WeakPolarHBondContact OD1-CD 3.26Å; D80-K131 VanDerWaalsContact OD1-CE 3.31Å; D80-K131 WeakPolarHBondContact OD1-CE 3.45Å; D80-K131 IonicContact OD1-NZ 2.7Å; D80-K131 PolarHBondContact OD1-NZ 3.3Å | ||
| 81 | V | 71 | Confident | 69.5 | Low | 90 Ų | 90 | 77.8 Ų | 77.8 | 55% | 0.545 | 43% | 0.426 | S | S | . | . | trans | -122.5 | 116.2 | -177.7 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | S76 | S76-V81 PolarHBondContact N-O 3.37Å; S76-V81 VanDerWaalsContact N-O 3.1Å | ||
| 82 | F | 74.6 | Confident | 68.7 | Low | 63 Ų | 63 | 78.6 Ų | 78.6 | 28% | 0.276 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 106 | 169.8 | -60.6 | -79.9 | 0 | 0 | 0 | 108.2 | V75 C124 A127 A128 | V75-F82 HydrophobicContact CG1-CE1 4.38Å; V75-F82 HydrophobicContact CG2-CD1 3.94Å; V75-F82 HydrophobicContact CG2-CE1 4.07Å; F82-C124 HydrophobicContact CB-CB 3.76Å; F82-C124 WeakPolarHBondContact CD2-O 3.39Å; F82-A127 HydrophobicContact CD2-CB 4.01Å; F82-A127 HydrophobicContact CE2-CB 3.75Å; F82-A127 HydrophobicContact CZ-CB 4.34Å; F82-A128 HydrophobicContact CD2-CB 4Å; F82-A128 HydrophobicContact CE2-CB 4.31Å |
| 83 | K | 74.1 | Confident | 67.8 | Low | 126 Ų | 126 | 76.5 Ų | 76.5 | 55% | 0.548 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.8 | 177.3 | -169 | 177.8 | 178.5 | -173.9 | 0 | 109.5 | E74 | E74-K83 PolarHBondContact N-O 3.45Å; E74-K83 PolarHBondContact O-N 3.21Å |
| 84 | L | 71.7 | Confident | 66.7 | Low | 29 Ų | 29 | 74.4 Ų | 74.4 | 15% | 0.152 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 125 | 171.1 | -76.9 | 168.1 | 0 | 0 | 0 | 109.9 | L71 L73 I120 Q121 | L71-L84 HydrophobicContact CB-CD2 4.4Å; L71-L84 HydrophobicContact CD2-CD1 4.37Å; L71-L84 HydrophobicContact CD2-CD2 4.04Å; L73-L84 HydrophobicContact CD2-CD2 3.31Å; L73-L84 HydrophobicContact CD2-CG 3.91Å; L73-L84 HydrophobicContact CG-CD2 3.94Å; L84-I120 HydrophobicContact CD1-CB 4.32Å; L84-I120 HydrophobicContact CD1-CG2 3.89Å; L84-I120 HydrophobicContact CD2-CG2 3.74Å; L84-I120 HydrophobicContact CG-CG2 4.46Å; L84-Q121 HydrophobicContact CD1-CB 3.65Å; L84-Q121 HydrophobicContact CD1-CG 4.23Å |
| 85 | M | 67.5 | Low | 65.6 | Low | 66 Ų | 66 | 77.6 Ų | 77.6 | 33% | 0.325 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.2 | 171.6 | -70 | -71.6 | -77.1 | 0 | 0 | 108.7 | T72 E74 S87 | T72-M85 PolarHBondContact N-O 3.01Å; T72-M85 PolarHBondContact O-N 3.2Å; T72-M85 PolarHBondContact OG1-O 2.98Å; E74-M85 HydrophobicContact CB-CG 4.36Å; E74-M85 VanDerWaalsContact CD-CG 3.48Å; E74-M85 HydrophobicContact CG-CG 3.91Å; M85-S87 PolarHBondContact O-N 3.3Å |
| 86 | F | 65.2 | Low | 64.8 | Low | 93 Ų | 93 | 79.8 Ų | 79.8 | 41% | 0.408 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 102.3 | 168.3 | -66.7 | -91.8 | 0 | 0 | 0 | 106.5 | L71 V88 M90 A117 | L71-F86 HydrophobicContact CD1-CE1 4.3Å; L71-F86 HydrophobicContact CD2-CD1 4.01Å; L71-F86 HydrophobicContact CD2-CE1 3.34Å; L71-F86 HydrophobicContact CD2-CE2 4.26Å; L71-F86 HydrophobicContact CD2-CZ 3.49Å; L71-F86 VanDerWaalsContact CD2-CZ 3.49Å; L71-F86 HydrophobicContact CG-CD1 3.98Å; L71-F86 HydrophobicContact CG-CE1 3.69Å; L71-F86 HydrophobicContact CG-CZ 4.33Å; F86-V88 PolarHBondContact O-N 2.89Å; F86-V88 VanDerWaalsContact O-N 3.15Å; F86-M90 HydrophobicContact CD1-CG 4.25Å; F86-M90 HydrophobicContact CE1-CG 4.29Å; F86-M90 HydrophobicContact CE1-SD 4.39Å; F86-A117 HydrophobicContact CE1-CB 4.14Å; F86-A117 HydrophobicContact CZ-CB 4Å |
| 87 | S | 59.1 | Low | 64.1 | Low | 66 Ų | 66 | 78.6 Ų | 78.6 | 46% | 0.462 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -60 | -23 | 179.3 | 59 | 0 | 0 | 0 | 0 | 112.1 | S69 M85 | S69-S87 PolarHBondContact O-OG 2.99Å; M85-S87 PolarHBondContact O-N 3.3Å |
| 88 | V | 59.7 | Low | 63.8 | Low | 46 Ų | 46 | 69.4 Ų | 69.4 | 28% | 0.279 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -142.1 | 138 | -176 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | F86 M90 T92 V93 | F86-V88 PolarHBondContact O-N 2.89Å; F86-V88 VanDerWaalsContact O-N 3.15Å; V88-M90 PolarHBondContact O-N 3.48Å; V88-T92 WeakPolarHBondContact CG1-OG1 3.42Å; V88-V93 HydrophobicContact CB-CG2 3.67Å; V88-V93 HydrophobicContact CG1-CG2 3.61Å |
| 89 | P | 60.6 | Low | 63.7 | Low | 92 Ų | 92 | 70.3 Ų | 70.3 | 60% | 0.597 | 37% | 0.365 | S | S | * | . | trans | -53.4 | 132.7 | 174.1 | -23.4 | 32.2 | 0 | 0 | 0 | 111 | A91 T92 V93 | P89-A91 PolarHBondContact O-N 2.91Å; P89-T92 PolarHBondContact O-N 3.12Å; P89-T92 PolarHBondContact O-OG1 3.35Å; P89-V93 PolarHBondContact O-N 2.8Å | ||
| 90 | M | 57.7 | Low | 63.3 | Low | 52 Ų | 52 | 74.7 Ų | 74.7 | 26% | 0.256 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -51.9 | -31 | -177.3 | -77.4 | -153.1 | 78.1 | 0 | 0 | 113.2 | F86 V88 T92 V93 E94 Q113 | F86-M90 HydrophobicContact CD1-CG 4.25Å; F86-M90 HydrophobicContact CE1-CG 4.29Å; F86-M90 HydrophobicContact CE1-SD 4.39Å; V88-M90 PolarHBondContact O-N 3.48Å; M90-T92 VanDerWaalsContact C-N 3.34Å; M90-T92 PolarHBondContact O-N 3.39Å; M90-V93 PolarHBondContact O-N 3.07Å; M90-E94 WeakPolarHBondContact O-CB 3.49Å; M90-E94 VanDerWaalsContact O-CG 3.3Å; M90-E94 WeakPolarHBondContact O-CG 3.49Å; M90-E94 PolarHBondContact O-N 3.27Å; M90-Q113 HydrophobicContact CE-CG 4.21Å |
| 91 | A | 57.3 | Low | 63.3 | Low | 59 Ų | 59 | 73.8 Ų | 73.8 | 49% | 0.488 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.9 | -33 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P89 R95 | P89-A91 PolarHBondContact O-N 2.91Å; A91-R95 WeakPolarHBondContact O-CG 3.38Å |
| 92 | T | 58.3 | Low | 63 | Low | 57 Ų | 57 | 71.3 Ų | 71.3 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -83.7 | -36.8 | 177.5 | 43.4 | 0 | 0 | 0 | 0 | 111.1 | V88 P89 M90 R95 E96 | V88-T92 WeakPolarHBondContact CG1-OG1 3.42Å; P89-T92 PolarHBondContact O-N 3.12Å; P89-T92 PolarHBondContact O-OG1 3.35Å; M90-T92 VanDerWaalsContact C-N 3.34Å; M90-T92 PolarHBondContact O-N 3.39Å; T92-R95 PolarHBondContact O-N 2.93Å; T92-E96 PolarHBondContact O-N 3.35Å |
| 93 | V | 57.9 | Low | 62.5 | Low | 10 Ų | 10 | 77 Ų | 77 | 6% | 0.061 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 174.3 | 170.7 | 0 | 0 | 0 | 0 | 112.4 | I70 V88 P89 M90 R95 E96 T97 | I70-V93 HydrophobicContact CB-CG1 4.09Å; I70-V93 HydrophobicContact CD1-CG1 3.3Å; I70-V93 HydrophobicContact CG1-CB 4.5Å; I70-V93 HydrophobicContact CG1-CG1 3.33Å; I70-V93 HydrophobicContact CG1-CG2 4.4Å; I70-V93 HydrophobicContact CG2-CB 4.39Å; I70-V93 HydrophobicContact CG2-CG1 3.73Å; I70-V93 HydrophobicContact CG2-CG2 4.16Å; V88-V93 HydrophobicContact CB-CG2 3.67Å; V88-V93 HydrophobicContact CG1-CG2 3.61Å; P89-V93 PolarHBondContact O-N 2.8Å; M90-V93 PolarHBondContact O-N 3.07Å; V93-R95 PolarHBondContact O-N 3.43Å; V93-E96 PolarHBondContact O-N 2.98Å; V93-T97 HydrophobicContact CG1-CG2 4.04Å; V93-T97 WeakPolarHBondContact O-CB 3.42Å; V93-T97 WeakPolarHBondContact O-CG2 3.49Å; V93-T97 PolarHBondContact O-N 3.45Å; V93-T97 PolarHBondContact O-OG1 2.97Å |
| 94 | E | 56.9 | Low | 62.2 | Low | 57 Ų | 57 | 78.2 Ų | 78.2 | 27% | 0.266 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.8 | -37 | 177.8 | -79 | -178.9 | -172.7 | 0 | 0 | 111 | M90 L98 | M90-E94 WeakPolarHBondContact O-CB 3.49Å; M90-E94 VanDerWaalsContact O-CG 3.3Å; M90-E94 WeakPolarHBondContact O-CG 3.49Å; M90-E94 PolarHBondContact O-N 3.27Å; E94-L98 HydrophobicContact CB-CD1 3.96Å; E94-L98 HydrophobicContact CG-CD1 4.21Å; E94-L98 WeakPolarHBondContact O-CB 3.4Å; E94-L98 VanDerWaalsContact O-CD1 3.31Å; E94-L98 WeakPolarHBondContact O-CD1 3.39Å; E94-L98 WeakPolarHBondContact O-CG 3.39Å; E94-L98 PolarHBondContact O-N 3.26Å |
| 95 | R | 56.3 | Low | 62.2 | Low | 169 Ų | 169 | 78 Ų | 78 | 64% | 0.638 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -69.8 | -40.2 | 179.7 | -71.5 | 176.7 | -172.3 | 166 | 2.1 | 112.2 | A91 T92 V93 K99 | A91-R95 WeakPolarHBondContact O-CG 3.38Å; T92-R95 PolarHBondContact O-N 2.93Å; V93-R95 PolarHBondContact O-N 3.43Å; R95-K99 VanDerWaalsContact O-CB 3.25Å; R95-K99 WeakPolarHBondContact O-CB 3.28Å; R95-K99 WeakPolarHBondContact O-CD 3.5Å; R95-K99 WeakPolarHBondContact O-CE 3.38Å; R95-K99 WeakPolarHBondContact O-CG 3.39Å; R95-K99 PolarHBondContact O-N 2.88Å |
| 96 | E | 61.7 | Low | 62.8 | Low | 130 Ų | 130 | 75.8 Ų | 75.8 | 61% | 0.607 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -85.2 | -41.3 | -174.9 | -69.9 | -178.4 | 172.8 | 0 | 0 | 113.1 | T92 V93 | T92-E96 PolarHBondContact O-N 3.35Å; V93-E96 PolarHBondContact O-N 2.98Å |
| 97 | T | 63.3 | Low | 63.7 | Low | 30 Ų | 30 | 79.7 Ų | 79.7 | 18% | 0.184 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -72.7 | -36 | -179.6 | 58.5 | 0 | 0 | 0 | 0 | 111.8 | I70 V93 | I70-T97 HydrophobicContact CD1-CG2 4.24Å; V93-T97 HydrophobicContact CG1-CG2 4.04Å; V93-T97 WeakPolarHBondContact O-CB 3.42Å; V93-T97 WeakPolarHBondContact O-CG2 3.49Å; V93-T97 PolarHBondContact O-N 3.45Å; V93-T97 PolarHBondContact O-OG1 2.97Å |
| 98 | L | 64.6 | Low | 65 | Low | 9 Ų | 9 | 76.6 Ų | 76.6 | 5% | 0.047 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -87.2 | -21.3 | -177.3 | -51.5 | 168.7 | 0 | 0 | 0 | 113.9 | E94 R100 F101 V105 L109 K110 | E94-L98 HydrophobicContact CB-CD1 3.96Å; E94-L98 HydrophobicContact CG-CD1 4.21Å; E94-L98 WeakPolarHBondContact O-CB 3.4Å; E94-L98 VanDerWaalsContact O-CD1 3.31Å; E94-L98 WeakPolarHBondContact O-CD1 3.39Å; E94-L98 WeakPolarHBondContact O-CG 3.39Å; E94-L98 PolarHBondContact O-N 3.26Å; L98-R100 PolarHBondContact O-N 2.9Å; L98-R100 VanDerWaalsContact O-N 3.13Å; L98-F101 HydrophobicContact CB-CD2 4.5Å; L98-F101 HydrophobicContact CD2-CD2 4.12Å; L98-F101 HydrophobicContact CD2-CE2 4.16Å; L98-F101 PolarHBondContact O-N 2.99Å; L98-V105 HydrophobicContact CB-CB 4.42Å; L98-V105 HydrophobicContact CB-CG1 4.04Å; L98-V105 HydrophobicContact CB-CG2 3.58Å; L98-V105 HydrophobicContact CD1-CG1 4.03Å; L98-V105 HydrophobicContact CD2-CG1 4.14Å; L98-V105 HydrophobicContact CG-CG1 4.31Å; L98-V105 WeakPolarHBondContact O-CG2 3.23Å; L98-L109 HydrophobicContact CD2-CD2 3.97Å; L98-L109 HydrophobicContact CD2-CG 4.22Å; L98-K110 HydrophobicContact CD1-CG 3.98Å |
| 99 | K | 64.5 | Low | 66.1 | Low | 147 Ų | 147 | 75.5 Ų | 75.5 | 64% | 0.639 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -55.2 | -27.9 | 171.6 | -91.3 | 170.4 | -163.2 | -179.4 | 0 | 112.6 | R95 F101 G102 | R95-K99 VanDerWaalsContact O-CB 3.25Å; R95-K99 WeakPolarHBondContact O-CB 3.28Å; R95-K99 WeakPolarHBondContact O-CD 3.5Å; R95-K99 WeakPolarHBondContact O-CE 3.38Å; R95-K99 WeakPolarHBondContact O-CG 3.39Å; R95-K99 PolarHBondContact O-N 2.88Å; K99-F101 PolarHBondContact O-N 3.42Å; K99-G102 PolarHBondContact O-N 2.77Å |
| 100 | R | 62.6 | Low | 67.1 | Low | 108 Ų | 108 | 75.7 Ų | 75.7 | 41% | 0.408 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -19.1 | 177.3 | -60.4 | -176.7 | -179.2 | -159.6 | -2.1 | 113.2 | Q67 L98 G102 | Q67-R100 VanDerWaalsContact CD-CZ 3.42Å; L98-R100 PolarHBondContact O-N 2.9Å; L98-R100 VanDerWaalsContact O-N 3.13Å; R100-G102 VanDerWaalsContact C-N 3.28Å |
| 101 | F | 64.1 | Low | 68.5 | Low | 50 Ų | 50 | 76 Ų | 76 | 22% | 0.219 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 11.5 | 172.3 | -57.3 | -72.9 | 0 | 0 | 0 | 113 | V57 F62 L98 K99 L109 | V57-F101 HydrophobicContact CB-CE1 4.2Å; V57-F101 HydrophobicContact CG2-CD1 3.61Å; V57-F101 HydrophobicContact CG2-CE1 3.64Å; F62-F101 HydrophobicContact CE1-CZ 4.4Å; F62-F101 HydrophobicContact CZ-CE1 4.13Å; F62-F101 AromaticContact CZ-CZ 3.92Å; F62-F101 HydrophobicContact CZ-CZ 3.92Å; L98-F101 HydrophobicContact CB-CD2 4.5Å; L98-F101 HydrophobicContact CD2-CD2 4.12Å; L98-F101 HydrophobicContact CD2-CE2 4.16Å; L98-F101 PolarHBondContact O-N 2.99Å; K99-F101 PolarHBondContact O-N 3.42Å; F101-L109 HydrophobicContact CD2-CD2 3.77Å; F101-L109 HydrophobicContact CE2-CD2 3.94Å; F101-L109 HydrophobicContact CG-CD2 4.17Å; F101-L109 HydrophobicContact CZ-CD2 4.44Å |
| 102 | G | 64.4 | Low | 69.9 | Low | 39 Ų | 39 | 73.2 Ų | 73.2 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | trans | 86.6 | -172.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K99 R100 L104 | K99-G102 PolarHBondContact O-N 2.77Å; R100-G102 VanDerWaalsContact C-N 3.28Å; G102-L104 VanDerWaalsContact C-N 3.27Å; G102-L104 PolarHBondContact O-N 2.93Å | ||
| 103 | I | 64.2 | Low | 71.1 | Confident | 183 Ų | 183 | 72.1 Ų | 72.1 | 94% | 0.938 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -68.3 | -29.1 | -171.8 | -58.4 | 167.2 | 0 | 0 | 0 | 111.4 | ||
| 104 | L | 68.1 | Low | 72.2 | Confident | 150 Ų | 150 | 74.5 Ų | 74.5 | 79% | 0.785 | 37% | 0.365 | S | S | * | . | trans | -111.5 | 87.3 | -175.4 | -164.5 | 72.5 | 0 | 0 | 0 | 111.8 | G102 P106 | G102-L104 VanDerWaalsContact C-N 3.27Å; G102-L104 PolarHBondContact O-N 2.93Å; L104-P106 WeakPolarHBondContact O-CD 3.3Å | ||
| 105 | V | 72.5 | Confident | 73.4 | Confident | 26 Ų | 26 | 72.7 Ų | 72.7 | 16% | 0.158 | 36% | 0.36 | C | S | . | . | trans | -77.1 | 121.4 | 172.3 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | L98 K107 L109 K110 | L98-V105 HydrophobicContact CB-CB 4.42Å; L98-V105 HydrophobicContact CB-CG1 4.04Å; L98-V105 HydrophobicContact CB-CG2 3.58Å; L98-V105 HydrophobicContact CD1-CG1 4.03Å; L98-V105 HydrophobicContact CD2-CG1 4.14Å; L98-V105 HydrophobicContact CG-CG1 4.31Å; L98-V105 WeakPolarHBondContact O-CG2 3.23Å; V105-K107 PolarHBondContact O-N 3.31Å; V105-L109 HydrophobicContact CG1-CB 4.22Å; V105-L109 HydrophobicContact CG1-CD2 4.07Å; V105-K110 HydrophobicContact CG1-CG 4.06Å | ||
| 106 | P | 79 | Confident | 74.8 | Confident | 18 Ų | 18 | 67.2 Ų | 67.2 | 12% | 0.117 | 35% | 0.345 | C | S | . | . | trans | -59.1 | 138.4 | 177.9 | -18 | 26.2 | 0 | 0 | 0 | 111 | C50 L51 L104 S108 L109 K110 | C50-P106 HydrophobicContact CB-CB 4.34Å; C50-P106 HydrophobicContact CB-CG 4.5Å; L51-P106 HydrophobicContact CD1-CG 4.07Å; L51-P106 HydrophobicContact CD2-CG 3.49Å; L51-P106 VanDerWaalsContact CD2-CG 3.49Å; L51-P106 HydrophobicContact CG-CG 3.52Å; L104-P106 WeakPolarHBondContact O-CD 3.3Å; P106-S108 PolarHBondContact O-N 3.4Å; P106-L109 WeakPolarHBondContact O-CB 3.4Å; P106-L109 PolarHBondContact O-N 3.5Å; P106-K110 PolarHBondContact O-N 3.32Å | ||
| 107 | K | 85.5 | Confident | 75.7 | Confident | 175 Ų | 175 | 61.6 Ų | 61.6 | 76% | 0.761 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -54.2 | -37 | 175.4 | -67.7 | -175.9 | 179.7 | -179.1 | 0 | 112 | V105 L109 K110 T111 | V105-K107 PolarHBondContact O-N 3.31Å; K107-L109 VanDerWaalsContact C-N 3.28Å; K107-L109 PolarHBondContact O-N 3.47Å; K107-K110 PolarHBondContact O-N 2.99Å; K107-T111 PolarHBondContact O-N 2.94Å; K107-T111 PolarHBondContact O-OG1 3.02Å |
| 108 | S | 85.4 | Confident | 76.8 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.9 | -31.7 | 176.3 | 46.9 | 0 | 0 | 0 | 0 | 113.4 | A47 P106 A112 | A47-S108 VanDerWaalsContact CA-OG 3.23Å; A47-S108 WeakPolarHBondContact CA-OG 3.4Å; A47-S108 WeakPolarHBondContact CB-OG 3.36Å; A47-S108 PolarHBondContact N-OG 3.44Å; P106-S108 PolarHBondContact O-N 3.4Å; S108-A112 WeakPolarHBondContact O-CB 3.4Å; S108-A112 PolarHBondContact O-N 2.9Å |
| 109 | L | 82.7 | Confident | 78 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.9 | -41.6 | 176 | -171 | 61.2 | 0 | 0 | 0 | 111.2 | L44 A47 L98 F101 V105 P106 K107 T111 A112 Q113 | L44-L109 HydrophobicContact CD2-CD1 3.83Å; A47-L109 HydrophobicContact CB-CB 3.98Å; A47-L109 HydrophobicContact CB-CD1 4.32Å; L98-L109 HydrophobicContact CD2-CD2 3.97Å; L98-L109 HydrophobicContact CD2-CG 4.22Å; F101-L109 HydrophobicContact CD2-CD2 3.77Å; F101-L109 HydrophobicContact CE2-CD2 3.94Å; F101-L109 HydrophobicContact CG-CD2 4.17Å; F101-L109 HydrophobicContact CZ-CD2 4.44Å; V105-L109 HydrophobicContact CG1-CB 4.22Å; V105-L109 HydrophobicContact CG1-CD2 4.07Å; P106-L109 WeakPolarHBondContact O-CB 3.4Å; P106-L109 PolarHBondContact O-N 3.5Å; K107-L109 VanDerWaalsContact C-N 3.28Å; K107-L109 PolarHBondContact O-N 3.47Å; L109-T111 VanDerWaalsContact C-N 3.35Å; L109-A112 PolarHBondContact O-N 3.31Å; L109-Q113 PolarHBondContact O-N 3.46Å |
| 110 | K | 82.8 | Confident | 79.2 | Confident | 96 Ų | 96 | 57.8 Ų | 57.8 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 173.6 | -65.1 | -175.2 | 177.4 | -172.7 | 0 | 111.2 | L98 V105 P106 K107 A112 Q113 S114 | L98-K110 HydrophobicContact CD1-CG 3.98Å; V105-K110 HydrophobicContact CG1-CG 4.06Å; P106-K110 PolarHBondContact O-N 3.32Å; K107-K110 PolarHBondContact O-N 2.99Å; K110-A112 PolarHBondContact O-N 3.49Å; K110-Q113 PolarHBondContact O-N 2.93Å; K110-S114 PolarHBondContact O-N 3.12Å |
| 111 | T | 86.7 | Confident | 80.4 | Confident | 59 Ų | 59 | 57.5 Ų | 57.5 | 36% | 0.362 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 175.4 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | Q43 K107 L109 Q113 S114 A115 | Q43-T111 HydrophobicContact CG-CG2 4.11Å; K107-T111 PolarHBondContact O-N 2.94Å; K107-T111 PolarHBondContact O-OG1 3.02Å; L109-T111 VanDerWaalsContact C-N 3.35Å; T111-Q113 PolarHBondContact O-N 3.44Å; T111-S114 PolarHBondContact O-N 2.84Å; T111-S114 PolarHBondContact O-OG 3.23Å; T111-A115 WeakPolarHBondContact O-CB 3.39Å; T111-A115 PolarHBondContact O-N 3.44Å |
| 112 | A | 85.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58 | -48.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q43 L44 S108 L109 K110 S114 A115 V116 | Q43-A112 HydrophobicContact CB-CB 3.85Å; L44-A112 HydrophobicContact CD2-CB 3.65Å; L44-A112 HydrophobicContact CG-CB 3.78Å; S108-A112 WeakPolarHBondContact O-CB 3.4Å; S108-A112 PolarHBondContact O-N 2.9Å; L109-A112 PolarHBondContact O-N 3.31Å; K110-A112 PolarHBondContact O-N 3.49Å; A112-S114 PolarHBondContact O-N 3.33Å; A112-A115 PolarHBondContact O-N 2.93Å; A112-A115 VanDerWaalsContact O-N 3.12Å; A112-V116 WeakPolarHBondContact O-CG2 3.3Å; A112-V116 PolarHBondContact O-N 2.91Å; A112-V116 VanDerWaalsContact O-N 3.12Å |
| 113 | Q | 83.3 | Confident | 83 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 178.5 | -174.3 | 175.9 | 19.1 | 0 | 0 | 112 | M90 L109 K110 T111 A115 V116 | M90-Q113 HydrophobicContact CE-CG 4.21Å; L109-Q113 PolarHBondContact O-N 3.46Å; K110-Q113 PolarHBondContact O-N 2.93Å; T111-Q113 PolarHBondContact O-N 3.44Å; Q113-A115 VanDerWaalsContact C-N 3.26Å; Q113-A115 PolarHBondContact O-N 3.3Å; Q113-V116 PolarHBondContact O-N 2.89Å |
| 114 | S | 81.1 | Confident | 84.2 | Confident | 60 Ų | 60 | 49.3 Ų | 49.3 | 42% | 0.42 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.9 | -30.7 | 176.8 | 74.6 | 0 | 0 | 0 | 0 | 112.9 | K110 T111 A112 P118 | K110-S114 PolarHBondContact O-N 3.12Å; T111-S114 PolarHBondContact O-N 2.84Å; T111-S114 PolarHBondContact O-OG 3.23Å; A112-S114 PolarHBondContact O-N 3.33Å; S114-P118 VanDerWaalsContact O-CD 3.23Å; S114-P118 WeakPolarHBondContact O-CD 3.41Å |
| 115 | A | 83.1 | Confident | 85.3 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -78.4 | -19.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C40 T111 A112 Q113 P118 | C40-A115 HydrophobicContact CB-CB 4.5Å; T111-A115 WeakPolarHBondContact O-CB 3.39Å; T111-A115 PolarHBondContact O-N 3.44Å; A112-A115 PolarHBondContact O-N 2.93Å; A112-A115 VanDerWaalsContact O-N 3.12Å; Q113-A115 VanDerWaalsContact C-N 3.26Å; Q113-A115 PolarHBondContact O-N 3.3Å; A115-P118 WeakPolarHBondContact O-CD 3.35Å; A115-P118 WeakPolarHBondContact O-CG 3.42Å |
| 116 | V | 85.3 | Confident | 86.2 | Confident | 54 Ų | 54 | 44.3 Ų | 44.3 | 33% | 0.327 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -72.9 | -38.9 | 179.4 | 168.9 | 0 | 0 | 0 | 0 | 111.8 | C40 A112 Q113 A119 I120 | C40-V116 WeakPolarHBondContact SG-CG2 3.39Å; A112-V116 WeakPolarHBondContact O-CG2 3.3Å; A112-V116 PolarHBondContact O-N 2.91Å; A112-V116 VanDerWaalsContact O-N 3.12Å; Q113-V116 PolarHBondContact O-N 2.89Å; V116-A119 WeakPolarHBondContact O-CB 3.43Å; V116-A119 PolarHBondContact O-N 3.35Å; V116-A119 VanDerWaalsContact O-N 3.07Å; V116-I120 HydrophobicContact CG1-CD1 3.55Å; V116-I120 HydrophobicContact CG1-CG1 3.97Å; V116-I120 WeakPolarHBondContact O-CG1 3.49Å; V116-I120 PolarHBondContact O-N 3.46Å |
| 117 | A | 81.7 | Confident | 86.8 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53 | -53.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F86 A119 I120 Q121 | F86-A117 HydrophobicContact CE1-CB 4.14Å; F86-A117 HydrophobicContact CZ-CB 4Å; A117-A119 VanDerWaalsContact C-N 3.29Å; A117-A119 PolarHBondContact O-N 3.27Å; A117-I120 PolarHBondContact O-N 3.23Å; A117-Q121 PolarHBondContact O-N 3.47Å; A117-Q121 VanDerWaalsContact O-N 3.1Å |
| 118 | P | 86 | Confident | 87 | Confident | 47 Ų | 47 | 37.3 Ų | 37.3 | 31% | 0.305 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.3 | -28.3 | 176.3 | 26.3 | -34.8 | 0 | 0 | 0 | 112.9 | S114 A115 Q121 L122 | S114-P118 VanDerWaalsContact O-CD 3.23Å; S114-P118 WeakPolarHBondContact O-CD 3.41Å; A115-P118 WeakPolarHBondContact O-CD 3.35Å; A115-P118 WeakPolarHBondContact O-CG 3.42Å; P118-Q121 PolarHBondContact O-N 3.34Å; P118-L122 WeakPolarHBondContact O-CG 3.39Å; P118-L122 PolarHBondContact O-N 3.39Å |
| 119 | A | 90.2 | Very high | 87.2 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66 | -41.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L33 R36 V116 A117 Q121 L122 V123 | L33-A119 HydrophobicContact CD1-CB 4.08Å; L33-A119 WeakPolarHBondContact CD1-O 2.93Å; R36-A119 HydrophobicContact CB-CB 4.26Å; V116-A119 WeakPolarHBondContact O-CB 3.43Å; V116-A119 PolarHBondContact O-N 3.35Å; V116-A119 VanDerWaalsContact O-N 3.07Å; A117-A119 VanDerWaalsContact C-N 3.29Å; A117-A119 PolarHBondContact O-N 3.27Å; A119-Q121 VanDerWaalsContact C-N 3.31Å; A119-Q121 PolarHBondContact O-N 3.24Å; A119-L122 PolarHBondContact O-N 2.87Å; A119-V123 WeakPolarHBondContact O-CG2 3.37Å; A119-V123 PolarHBondContact O-N 2.89Å |
| 120 | I | 89.4 | Confident | 87.6 | Confident | 54 Ų | 54 | 41 Ų | 41 | 28% | 0.277 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 174.7 | -62.3 | 168.8 | 0 | 0 | 0 | 110.1 | L71 L84 V116 A117 L122 V123 C124 | L71-I120 HydrophobicContact CD1-CD1 3.84Å; L84-I120 HydrophobicContact CD1-CB 4.32Å; L84-I120 HydrophobicContact CD1-CG2 3.89Å; L84-I120 HydrophobicContact CD2-CG2 3.74Å; L84-I120 HydrophobicContact CG-CG2 4.46Å; V116-I120 HydrophobicContact CG1-CD1 3.55Å; V116-I120 HydrophobicContact CG1-CG1 3.97Å; V116-I120 WeakPolarHBondContact O-CG1 3.49Å; V116-I120 PolarHBondContact O-N 3.46Å; A117-I120 PolarHBondContact O-N 3.23Å; I120-L122 VanDerWaalsContact C-N 3.34Å; I120-L122 PolarHBondContact O-N 2.83Å; I120-V123 WeakPolarHBondContact O-CB 3.35Å; I120-V123 PolarHBondContact O-N 3.26Å; I120-V123 VanDerWaalsContact O-N 3.11Å; I120-C124 PolarHBondContact O-N 3.17Å; I120-C124 PolarHBondContact O-SG 3.35Å |
| 121 | Q | 87.8 | Confident | 87.9 | Confident | 103 Ų | 103 | 40.1 Ų | 40.1 | 48% | 0.481 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.1 | -43.3 | 175.2 | -171.9 | -178 | -25.8 | 0 | 0 | 112.5 | L84 A117 P118 A119 V123 C124 E125 | L84-Q121 HydrophobicContact CD1-CB 3.65Å; L84-Q121 HydrophobicContact CD1-CG 4.23Å; A117-Q121 PolarHBondContact O-N 3.47Å; A117-Q121 VanDerWaalsContact O-N 3.1Å; P118-Q121 PolarHBondContact O-N 3.34Å; A119-Q121 VanDerWaalsContact C-N 3.31Å; A119-Q121 PolarHBondContact O-N 3.24Å; Q121-V123 VanDerWaalsContact C-N 3.3Å; Q121-V123 PolarHBondContact O-N 3.43Å; Q121-C124 WeakPolarHBondContact O-CB 3.23Å; Q121-C124 PolarHBondContact O-N 3.23Å; Q121-C124 VanDerWaalsContact O-N 3.16Å; Q121-E125 PolarHBondContact NE2-OE1 3.37Å; Q121-E125 VanDerWaalsContact NE2-OE1 3.15Å; Q121-E125 WeakPolarHBondContact O-CG 3.31Å; Q121-E125 PolarHBondContact O-N 3.44Å |
| 122 | L | 91.2 | Very high | 88 | Confident | 16 Ų | 16 | 42 Ų | 42 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 174.1 | -71.2 | 166 | 0 | 0 | 0 | 111.9 | K29 E32 L33 R36 P118 A119 I120 C124 E125 I126 | K29-L122 HydrophobicContact CD-CD2 3.78Å; E32-L122 HydrophobicContact CB-CD1 4.43Å; E32-L122 HydrophobicContact CG-CD1 3.75Å; E32-L122 HydrophobicContact CG-CD2 4.27Å; L33-L122 HydrophobicContact CB-CB 4.32Å; L33-L122 HydrophobicContact CB-CD1 4.5Å; L33-L122 HydrophobicContact CD1-CB 4.28Å; R36-L122 HydrophobicContact CG-CD1 4.07Å; P118-L122 WeakPolarHBondContact O-CG 3.39Å; P118-L122 PolarHBondContact O-N 3.39Å; A119-L122 PolarHBondContact O-N 2.87Å; I120-L122 VanDerWaalsContact C-N 3.34Å; I120-L122 PolarHBondContact O-N 2.83Å; L122-C124 VanDerWaalsContact C-N 3.3Å; L122-C124 PolarHBondContact O-N 3.36Å; L122-E125 PolarHBondContact O-N 3.21Å; L122-I126 WeakPolarHBondContact O-CB 3.38Å; L122-I126 WeakPolarHBondContact O-CD1 3.35Å; L122-I126 WeakPolarHBondContact O-CG1 3.43Å; L122-I126 PolarHBondContact O-N 2.68Å |
| 123 | V | 91.8 | Very high | 88.2 | Confident | 72 Ų | 72 | 42.8 Ų | 42.8 | 44% | 0.436 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 174.5 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L33 A119 I120 Q121 I126 A127 | L33-V123 HydrophobicContact CD1-CG2 3.78Å; L33-V123 HydrophobicContact CD2-CG2 3.69Å; L33-V123 HydrophobicContact CG-CG2 4.41Å; A119-V123 WeakPolarHBondContact O-CG2 3.37Å; A119-V123 PolarHBondContact O-N 2.89Å; I120-V123 WeakPolarHBondContact O-CB 3.35Å; I120-V123 PolarHBondContact O-N 3.26Å; I120-V123 VanDerWaalsContact O-N 3.11Å; Q121-V123 VanDerWaalsContact C-N 3.3Å; Q121-V123 PolarHBondContact O-N 3.43Å; V123-I126 PolarHBondContact O-N 3.4Å; V123-A127 WeakPolarHBondContact O-CB 3.45Å; V123-A127 PolarHBondContact O-N 2.87Å |
| 124 | C | 90.1 | Very high | 88.5 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 175.2 | -63 | 0 | 0 | 0 | 0 | 112.4 | L73 F82 I120 Q121 L122 A127 A128 | L73-C124 WeakPolarHBondContact CD2-SG 3.43Å; F82-C124 HydrophobicContact CB-CB 3.76Å; F82-C124 WeakPolarHBondContact CD2-O 3.39Å; I120-C124 PolarHBondContact O-N 3.17Å; I120-C124 PolarHBondContact O-SG 3.35Å; Q121-C124 WeakPolarHBondContact O-CB 3.23Å; Q121-C124 PolarHBondContact O-N 3.23Å; Q121-C124 VanDerWaalsContact O-N 3.16Å; L122-C124 VanDerWaalsContact C-N 3.3Å; L122-C124 PolarHBondContact O-N 3.36Å; C124-A127 PolarHBondContact O-N 3.28Å; C124-A128 PolarHBondContact O-N 2.96Å |
| 125 | E | 89.9 | Confident | 88.8 | Confident | 58 Ų | 58 | 45.8 Ų | 45.8 | 27% | 0.271 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 177 | -69 | 171.6 | -165.8 | 0 | 0 | 111.6 | K29 Q121 L122 A128 L129 | K29-E125 WeakPolarHBondContact CE-OE2 3.48Å; K29-E125 IonicContact NZ-OE2 2.94Å; K29-E125 PolarHBondContact NZ-OE2 3.19Å; Q121-E125 PolarHBondContact NE2-OE1 3.37Å; Q121-E125 VanDerWaalsContact NE2-OE1 3.15Å; Q121-E125 WeakPolarHBondContact O-CG 3.31Å; Q121-E125 PolarHBondContact O-N 3.44Å; L122-E125 PolarHBondContact O-N 3.21Å; E125-A128 PolarHBondContact O-N 2.93Å; E125-L129 WeakPolarHBondContact O-CG 3.25Å; E125-L129 PolarHBondContact O-N 3.44Å |
| 126 | I | 92.3 | Very high | 89 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 7% | 0.067 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.6 | -43 | 175.3 | -71.4 | 166.5 | 0 | 0 | 0 | 110.5 | Y26 K29 L33 L122 V123 L129 Q130 | Y26-I126 HydrophobicContact CD2-CG2 4.09Å; Y26-I126 HydrophobicContact CE2-CG2 3.54Å; K29-I126 HydrophobicContact CB-CD1 4.29Å; K29-I126 HydrophobicContact CB-CG1 3.77Å; L33-I126 HydrophobicContact CB-CD1 3.92Å; L33-I126 HydrophobicContact CD2-CD1 3.64Å; L33-I126 HydrophobicContact CG-CD1 4.4Å; L122-I126 WeakPolarHBondContact O-CB 3.38Å; L122-I126 WeakPolarHBondContact O-CD1 3.35Å; L122-I126 WeakPolarHBondContact O-CG1 3.43Å; L122-I126 PolarHBondContact O-N 2.68Å; V123-I126 PolarHBondContact O-N 3.4Å; I126-L129 PolarHBondContact O-N 3.39Å; I126-Q130 WeakPolarHBondContact O-CB 3.13Å; I126-Q130 VanDerWaalsContact O-CG 3.29Å; I126-Q130 WeakPolarHBondContact O-CG 3.07Å; I126-Q130 PolarHBondContact O-N 3.32Å |
| 127 | A | 90.9 | Very high | 89 | Confident | 30 Ų | 30 | 47.4 Ų | 47.4 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F82 V123 C124 Q130 K131 | F82-A127 HydrophobicContact CD2-CB 4.01Å; F82-A127 HydrophobicContact CE2-CB 3.75Å; F82-A127 HydrophobicContact CZ-CB 4.34Å; V123-A127 WeakPolarHBondContact O-CB 3.45Å; V123-A127 PolarHBondContact O-N 2.87Å; C124-A127 PolarHBondContact O-N 3.28Å; A127-Q130 PolarHBondContact O-N 3.26Å; A127-K131 PolarHBondContact O-N 3.07Å |
| 128 | A | 89.3 | Confident | 89.2 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D80 F82 C124 E125 K131 K132 | D80-A128 WeakPolarHBondContact O-CB 3.04Å; F82-A128 HydrophobicContact CD2-CB 4Å; F82-A128 HydrophobicContact CE2-CB 4.31Å; C124-A128 PolarHBondContact O-N 2.96Å; E125-A128 PolarHBondContact O-N 2.93Å; A128-K131 WeakPolarHBondContact O-CB 2.92Å; A128-K131 PolarHBondContact O-N 3.24Å; A128-K132 WeakPolarHBondContact O-CG 3.45Å; A128-K132 PolarHBondContact O-N 3.25Å; A128-K132 VanDerWaalsContact O-N 3.11Å |
| 129 | L | 89.6 | Confident | 89 | Confident | 25 Ų | 25 | 55.5 Ų | 55.5 | 13% | 0.131 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 176 | -73.6 | 171.8 | 0 | 0 | 0 | 111.9 | D25 Y26 K29 E125 I126 K131 K132 I133 | D25-L129 HydrophobicContact CB-CD1 4.38Å; Y26-L129 HydrophobicContact CD2-CB 4.3Å; K29-L129 HydrophobicContact CG-CD1 4.15Å; E125-L129 WeakPolarHBondContact O-CG 3.25Å; E125-L129 PolarHBondContact O-N 3.44Å; I126-L129 PolarHBondContact O-N 3.39Å; L129-K131 VanDerWaalsContact C-N 3.29Å; L129-K131 PolarHBondContact O-N 3.18Å; L129-K132 PolarHBondContact O-N 2.97Å; L129-I133 WeakPolarHBondContact O-CB 3.38Å; L129-I133 VanDerWaalsContact O-CG1 3.28Å; L129-I133 WeakPolarHBondContact O-CG1 3.29Å; L129-I133 PolarHBondContact O-N 2.94Å |
| 130 | Q | 91.5 | Very high | 88.2 | Confident | 77 Ų | 77 | 61.9 Ų | 61.9 | 36% | 0.36 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.4 | -42.2 | 175 | -75.6 | 173.9 | -19.4 | 0 | 0 | 111.6 | Y26 I126 A127 I133 N134 | Y26-Q130 HydrophobicContact CD2-CG 4.06Å; Y26-Q130 HydrophobicContact CE2-CG 3.37Å; Y26-Q130 PolarHBondContact OH-NE2 2.96Å; I126-Q130 WeakPolarHBondContact O-CB 3.13Å; I126-Q130 VanDerWaalsContact O-CG 3.29Å; I126-Q130 WeakPolarHBondContact O-CG 3.07Å; I126-Q130 PolarHBondContact O-N 3.32Å; A127-Q130 PolarHBondContact O-N 3.26Å; Q130-I133 PolarHBondContact O-N 3.31Å; Q130-N134 WeakPolarHBondContact O-CB 3.49Å; Q130-N134 PolarHBondContact O-N 3.47Å; Q130-N134 PolarHBondContact O-ND2 2.95Å |
| 131 | K | 89.6 | Confident | 87.3 | Confident | 78 Ų | 78 | 66.8 Ų | 66.8 | 34% | 0.339 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 176.2 | -169 | -172.8 | 177.4 | -161 | 0 | 111.5 | D78 G79 D80 A127 A128 L129 N134 A135 | D78-K131 PolarHBondContact O-NZ 3.36Å; G79-K131 WeakPolarHBondContact O-CD 3.35Å; G79-K131 PolarHBondContact O-NZ 3.13Å; D80-K131 WeakPolarHBondContact OD1-CD 3.26Å; D80-K131 VanDerWaalsContact OD1-CE 3.31Å; D80-K131 WeakPolarHBondContact OD1-CE 3.45Å; D80-K131 IonicContact OD1-NZ 2.7Å; D80-K131 PolarHBondContact OD1-NZ 3.3Å; A127-K131 PolarHBondContact O-N 3.07Å; A128-K131 WeakPolarHBondContact O-CB 2.92Å; A128-K131 PolarHBondContact O-N 3.24Å; L129-K131 VanDerWaalsContact C-N 3.29Å; L129-K131 PolarHBondContact O-N 3.18Å; K131-N134 PolarHBondContact O-N 3.03Å; K131-A135 WeakPolarHBondContact O-CB 3.48Å; K131-A135 PolarHBondContact O-N 2.94Å |
| 132 | K | 88.6 | Confident | 86 | Confident | 99 Ų | 99 | 67.3 Ų | 67.3 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 177.5 | -68.8 | 178.4 | 179.8 | -176.5 | 0 | 112.4 | M22 A128 L129 N134 A135 L136 | M22-K132 HydrophobicContact SD-CB 3.99Å; A128-K132 WeakPolarHBondContact O-CG 3.45Å; A128-K132 PolarHBondContact O-N 3.25Å; A128-K132 VanDerWaalsContact O-N 3.11Å; L129-K132 PolarHBondContact O-N 2.97Å; K132-N134 VanDerWaalsContact C-N 3.34Å; K132-N134 PolarHBondContact O-N 3.32Å; K132-A135 PolarHBondContact O-N 3.38Å; K132-L136 PolarHBondContact O-N 3.07Å |
| 133 | I | 89.8 | Confident | 84.1 | Confident | 15 Ų | 15 | 72.1 Ų | 72.1 | 8% | 0.077 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 176.9 | -70.5 | 165.4 | 0 | 0 | 0 | 110.3 | Y19 M22 L23 Y26 L129 Q130 A135 L136 M137 | Y19-I133 HydrophobicContact CE2-CG2 3.88Å; M22-I133 HydrophobicContact CB-CG1 4.11Å; L23-I133 HydrophobicContact CD2-CD1 4.12Å; Y26-I133 HydrophobicContact CD2-CD1 4.33Å; Y26-I133 HydrophobicContact CG-CD1 4Å; L129-I133 WeakPolarHBondContact O-CB 3.38Å; L129-I133 VanDerWaalsContact O-CG1 3.28Å; L129-I133 WeakPolarHBondContact O-CG1 3.29Å; L129-I133 PolarHBondContact O-N 2.94Å; Q130-I133 PolarHBondContact O-N 3.31Å; I133-A135 VanDerWaalsContact C-N 3.34Å; I133-A135 PolarHBondContact O-N 3.47Å; I133-L136 PolarHBondContact O-N 3.47Å; I133-M137 HydrophobicContact CG2-CG 4.49Å; I133-M137 VanDerWaalsContact O-CG 3.31Å; I133-M137 WeakPolarHBondContact O-CG 3.48Å; I133-M137 PolarHBondContact O-N 3.38Å |
| 134 | N | 89.7 | Confident | 81.5 | Confident | 108 Ų | 108 | 81.4 Ų | 81.4 | 58% | 0.578 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 177.7 | -70.6 | -19 | 0 | 0 | 0 | 112.2 | Q130 K131 K132 M137 S138 | Q130-N134 WeakPolarHBondContact O-CB 3.49Å; Q130-N134 PolarHBondContact O-N 3.47Å; Q130-N134 PolarHBondContact O-ND2 2.95Å; K131-N134 PolarHBondContact O-N 3.03Å; K132-N134 VanDerWaalsContact C-N 3.34Å; K132-N134 PolarHBondContact O-N 3.32Å; N134-M137 PolarHBondContact O-N 2.89Å; N134-S138 PolarHBondContact O-N 3.21Å; N134-S138 PolarHBondContact O-OG 3.4Å |
| 135 | A | 87.7 | Confident | 81.1 | Confident | 50 Ų | 50 | 85 Ų | 85 | 41% | 0.413 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.8 | -31.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | K131 K132 I133 S138 | K131-A135 WeakPolarHBondContact O-CB 3.48Å; K131-A135 PolarHBondContact O-N 2.94Å; K132-A135 PolarHBondContact O-N 3.38Å; I133-A135 VanDerWaalsContact C-N 3.34Å; I133-A135 PolarHBondContact O-N 3.47Å; A135-S138 PolarHBondContact O-OG 3.22Å |
| 136 | L | 86.3 | Confident | 80.6 | Confident | 18 Ų | 18 | 86.4 Ų | 86.4 | 9% | 0.094 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -69.1 | -48.2 | 169.6 | -70.2 | -178 | 0 | 0 | 0 | 110.5 | F15 Y19 M22 K132 I133 S138 K139 | F15-L136 HydrophobicContact CD2-CD2 4.23Å; F15-L136 HydrophobicContact CE2-CB 3.91Å; F15-L136 HydrophobicContact CE2-CD2 3.63Å; F15-L136 HydrophobicContact CE2-CG 4.27Å; F15-L136 HydrophobicContact CZ-CB 3.87Å; F15-L136 HydrophobicContact CZ-CD2 4.44Å; F15-L136 VanDerWaalsContact CZ-O 3.31Å; F15-L136 WeakPolarHBondContact CZ-O 3.48Å; Y19-L136 HydrophobicContact CD2-CB 4.49Å; Y19-L136 HydrophobicContact CD2-CD1 4.36Å; M22-L136 HydrophobicContact CE-CD1 3.58Å; M22-L136 HydrophobicContact CE-CG 4.4Å; M22-L136 HydrophobicContact SD-CD1 3.43Å; M22-L136 WeakPolarHBondContact SD-CD1 3.47Å; M22-L136 HydrophobicContact SD-CG 4.31Å; K132-L136 PolarHBondContact O-N 3.07Å; I133-L136 PolarHBondContact O-N 3.47Å; L136-S138 VanDerWaalsContact C-N 3.28Å; L136-S138 PolarHBondContact O-N 3Å; L136-K139 WeakPolarHBondContact O-CB 3.27Å; L136-K139 PolarHBondContact O-N 3.06Å |
| 137 | M | 86.4 | Confident | 80 | Confident | 89 Ų | 89 | 90.4 Ų | 90.4 | 44% | 0.438 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.8 | -38.2 | 179.1 | -72.5 | -66.3 | -67.9 | 0 | 0 | 112.4 | Y19 I133 N134 K139 F140 E141 | Y19-M137 HydrophobicContact CD2-SD 4.47Å; Y19-M137 HydrophobicContact CE2-CG 3.89Å; Y19-M137 HydrophobicContact CE2-SD 3.63Å; I133-M137 HydrophobicContact CG2-CG 4.49Å; I133-M137 VanDerWaalsContact O-CG 3.31Å; I133-M137 WeakPolarHBondContact O-CG 3.48Å; I133-M137 PolarHBondContact O-N 3.38Å; N134-M137 PolarHBondContact O-N 2.89Å; M137-K139 PolarHBondContact O-N 3.03Å; M137-F140 PolarHBondContact O-N 3.1Å; M137-E141 PolarHBondContact O-N 3.24Å |
| 138 | S | 86.3 | Confident | 79.4 | Confident | 74 Ų | 74 | 94 Ų | 94 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.3 | -21.4 | 177.4 | 62.5 | 0 | 0 | 0 | 0 | 113.9 | N134 A135 L136 | N134-S138 PolarHBondContact O-N 3.21Å; N134-S138 PolarHBondContact O-OG 3.4Å; A135-S138 PolarHBondContact O-OG 3.22Å; L136-S138 VanDerWaalsContact C-N 3.28Å; L136-S138 PolarHBondContact O-N 3Å |
| 139 | K | 81.1 | Confident | 78.7 | Confident | 156 Ų | 156 | 98.9 Ų | 98.9 | 68% | 0.678 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.7 | -20.7 | 171.8 | -65.9 | 176.1 | 179.7 | -179.1 | 0 | 112.2 | F15 L136 M137 | F15-K139 HydrophobicContact CE2-CD 4.41Å; L136-K139 WeakPolarHBondContact O-CB 3.27Å; L136-K139 PolarHBondContact O-N 3.06Å; M137-K139 PolarHBondContact O-N 3.03Å |
| 140 | F | 72.5 | Confident | 78 | Confident | 137 Ų | 137 | 103.8 Ų | 103.8 | 60% | 0.601 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -99.6 | -14.7 | -175.2 | -147.6 | -88 | 0 | 0 | 0 | 113.4 | F15 M137 P142 | F15-F140 HydrophobicContact CD1-CD2 4.37Å; F15-F140 AromaticContact CE1-CD2 3.88Å; F15-F140 HydrophobicContact CE1-CD2 3.88Å; M137-F140 PolarHBondContact O-N 3.1Å; F140-P142 WeakPolarHBondContact O-CD 3.45Å |
| 141 | E | 72 | Confident | 77.1 | Confident | 158 Ų | 158 | 105.7 Ų | 105.7 | 74% | 0.738 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -74.8 | 104.5 | 168.1 | -79.7 | -173.6 | 156.3 | 0 | 0 | 108.7 | M137 S143 | M137-E141 PolarHBondContact O-N 3.24Å; E141-S143 PolarHBondContact O-N 3.32Å |
| 142 | P | 59.1 | Low | 76.1 | Confident | 114 Ų | 114 | 107.8 Ų | 107.8 | 74% | 0.74 | 56% | 0.56 | S | S | * | * | trans | -61.8 | 127.7 | 164.4 | 28.9 | -33.7 | 0 | 0 | 0 | 106.5 | F140 K144 | F140-P142 WeakPolarHBondContact O-CD 3.45Å; P142-K144 PolarHBondContact O-N 3.33Å | ||
| 143 | S | 51.8 | Low | 75 | Confident | 117 Ų | 117 | 108.6 Ų | 108.6 | 82% | 0.818 | 57% | 0.571 | S | S | * | * | trans | -45.4 | 116.5 | 160.8 | -179.7 | 0 | 0 | 0 | 0 | 106.9 | E141 | E141-S143 PolarHBondContact O-N 3.32Š| ||
| 144 | K | 38.1 | Very low | 73.7 | Confident | 267 Ų | 267 | 117.1 Ų | 117.1 | 100% | 1.161 | 62% | 0.616 | S | S | * | * | trans | -54.6 | 0 | 165 | -87.2 | -174.8 | 177.1 | 179 | 0 | 110.2 | P142 | P142-K144 PolarHBondContact O-N 3.33Š|
Retrieved 144 of 144 residues in 180.1 ms
(Link to these results)