| 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 | 60.7 | Low | 72.7 | Confident | 234 Ų | 234 | 115.2 Ų | 115.2 | 100% | 1.153 | 56% | 0.561 | S | S | * | * | 0 | 125.3 | 0 | -82.1 | -72.8 | 169.2 | 0 | 0 | 107.4 | |||||
| 2 | S | 62.8 | Low | 73.2 | Confident | 61 Ų | 61 | 111.9 Ų | 111.9 | 43% | 0.427 | 54% | 0.538 | S | S | . | . | trans | -86.4 | 140.1 | -172.8 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | F4 Y5 | S2-F4 WeakPolarHBondContact OG-CD2 3.4Å; S2-F4 WeakPolarHBondContact OG-CE2 3.03Å; S2-Y5 WeakPolarHBondContact O-CE1 3.28Å | ||
| 3 | T | 75.9 | Confident | 73.3 | Confident | 87 Ų | 87 | 107.7 Ų | 107.7 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | trans | -95.1 | 11.9 | -173.4 | 50.4 | 0 | 0 | 0 | 0 | 114.5 | Y5 L6 | T3-Y5 PolarHBondContact O-N 3.22Å; T3-L6 HydrophobicContact CG2-CD1 4.1Å; T3-L6 WeakPolarHBondContact O-CB 3.47Å; T3-L6 PolarHBondContact O-N 2.89Å | ||
| 4 | F | 68.3 | Low | 73.4 | Confident | 97 Ų | 97 | 106.3 Ų | 106.3 | 43% | 0.425 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -59.1 | -23.2 | -173.5 | -63.3 | -55 | 0 | 0 | 0 | 114.8 | S2 L6 L7 R12 L16 | S2-F4 WeakPolarHBondContact OG-CD2 3.4Å; S2-F4 WeakPolarHBondContact OG-CE2 3.03Å; F4-L6 PolarHBondContact O-N 2.9Å; F4-L7 HydrophobicContact CD1-CD1 4.4Å; F4-L7 PolarHBondContact O-N 3.08Å; F4-R12 WeakPolarHBondContact O-CD 3.34Å; F4-L16 HydrophobicContact CB-CD1 4.44Å; F4-L16 HydrophobicContact CD1-CD1 4.4Å; F4-L16 HydrophobicContact CD1-CD2 4.48Å; F4-L16 HydrophobicContact CE1-CD2 4.23Å; F4-L16 HydrophobicContact CG-CD1 4.25Å; F4-L16 HydrophobicContact CZ-CD2 4.28Å |
| 5 | Y | 68.5 | Low | 73.6 | Confident | 162 Ų | 162 | 106.9 Ų | 106.9 | 64% | 0.635 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -70.6 | -15.4 | 177.9 | 47.3 | -100.3 | 0 | 0 | 0 | 114.4 | S2 T3 L7 | S2-Y5 WeakPolarHBondContact O-CE1 3.28Å; T3-Y5 PolarHBondContact O-N 3.22Å; Y5-L7 PolarHBondContact O-N 3.36Å |
| 6 | L | 81.5 | Confident | 73.6 | Confident | 131 Ų | 131 | 103.6 Ų | 103.6 | 69% | 0.686 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -74 | -14.8 | 173.3 | -78.3 | 133.2 | 0 | 0 | 0 | 112.8 | T3 F4 | T3-L6 HydrophobicContact CG2-CD1 4.1Å; T3-L6 WeakPolarHBondContact O-CB 3.47Å; T3-L6 PolarHBondContact O-N 2.89Å; F4-L6 PolarHBondContact O-N 2.9Å |
| 7 | L | 78.8 | Confident | 73.2 | Confident | 55 Ų | 55 | 101.5 Ų | 101.5 | 29% | 0.288 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -88.5 | 142.1 | -177.1 | -64.1 | 174.4 | 0 | 0 | 0 | 111.5 | F4 Y5 T11 R12 E15 | F4-L7 HydrophobicContact CD1-CD1 4.4Å; F4-L7 PolarHBondContact O-N 3.08Å; Y5-L7 PolarHBondContact O-N 3.36Å; L7-T11 HydrophobicContact CD2-CG2 4.29Å; L7-R12 HydrophobicContact CB-CG 3.77Å; L7-R12 HydrophobicContact CD1-CG 4.43Å; L7-R12 PolarHBondContact O-NE 3.33Å; L7-R12 PolarHBondContact O-NH2 2.9Å; L7-E15 VanDerWaalsContact CD1-OE2 3.3Å; L7-E15 WeakPolarHBondContact CD1-OE2 3.37Å |
| 8 | D | 77.2 | Confident | 72.9 | Confident | 125 Ų | 125 | 101.3 Ų | 101.3 | 67% | 0.668 | 53% | 0.527 | S | S | * | . | trans | -57 | 152.1 | 171.8 | -74.3 | -23.2 | 0 | 0 | 0 | 111.4 | R10 T11 R12 | D8-R10 VanDerWaalsContact C-N 3.29Å; D8-R10 PolarHBondContact O-N 2.72Å; D8-T11 PolarHBondContact O-N 3.4Å; D8-T11 VanDerWaalsContact O-N 3.12Å; D8-R12 PolarHBondContact O-N 3Å | ||
| 9 | H | 72.9 | Confident | 72.6 | Confident | 48 Ų | 48 | 103.6 Ų | 103.6 | 22% | 0.222 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -54 | -44.4 | -176.7 | 173.2 | 59.9 | 0 | 0 | 0 | 112.7 | R12 Q13 G21 P23 | H9-R12 PolarHBondContact O-N 2.64Å; H9-Q13 PolarHBondContact CE1-NE2 3.29Å; H9-Q13 VanDerWaalsContact NE2-CD 3.25Å; H9-Q13 PolarHBondContact NE2-NE2 3.13Å; H9-Q13 PolarHBondContact NE2-OE1 3.4Å; H9-Q13 WeakPolarHBondContact O-CG 3.1Å; H9-Q13 PolarHBondContact O-N 3.01Å; H9-G21 PolarHBondContact CE1-O 2.73Å; H9-P23 HydrophobicContact CB-CG 4.28Å |
| 10 | R | 73.6 | Confident | 72.2 | Confident | 213 Ų | 213 | 104.5 Ų | 104.5 | 80% | 0.804 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 179.3 | -75.1 | -172.6 | 173.5 | -177.7 | -1.5 | 112.2 | D8 Q13 A14 | D8-R10 VanDerWaalsContact C-N 3.29Å; D8-R10 PolarHBondContact O-N 2.72Å; R10-Q13 PolarHBondContact O-N 3.05Å; R10-A14 PolarHBondContact O-N 3.03Å; R10-A14 VanDerWaalsContact O-N 3.13Å |
| 11 | T | 79.5 | Confident | 72.3 | Confident | 54 Ų | 54 | 100.8 Ų | 100.8 | 33% | 0.331 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 179.4 | -46.7 | 0 | 0 | 0 | 0 | 110.6 | L7 D8 Q13 A14 E15 | L7-T11 HydrophobicContact CD2-CG2 4.29Å; D8-T11 PolarHBondContact O-N 3.4Å; D8-T11 VanDerWaalsContact O-N 3.12Å; T11-Q13 PolarHBondContact O-N 2.89Å; T11-A14 PolarHBondContact O-N 3.38Å; T11-E15 WeakPolarHBondContact CG2-OE1 3.36Å; T11-E15 WeakPolarHBondContact O-CG 3.39Å; T11-E15 PolarHBondContact O-N 3.19Å |
| 12 | R | 79.3 | Confident | 73.3 | Confident | 76 Ų | 76 | 92.7 Ų | 92.7 | 29% | 0.287 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 174.4 | -84.9 | -170.8 | -86.6 | 173.2 | -2.3 | 113.8 | F4 L7 D8 H9 A14 L16 | F4-R12 WeakPolarHBondContact O-CD 3.34Å; L7-R12 HydrophobicContact CB-CG 3.77Å; L7-R12 HydrophobicContact CD1-CG 4.43Å; L7-R12 PolarHBondContact O-NE 3.33Å; L7-R12 PolarHBondContact O-NH2 2.9Å; D8-R12 PolarHBondContact O-N 3Å; H9-R12 PolarHBondContact O-N 2.64Å; R12-A14 VanDerWaalsContact C-N 3.34Å; R12-L16 HydrophobicContact CG-CD1 4.45Å; R12-L16 WeakPolarHBondContact O-CB 3.48Å; R12-L16 PolarHBondContact O-N 3.21Å |
| 13 | Q | 73.9 | Confident | 74.3 | Confident | 57 Ų | 57 | 91.9 Ų | 91.9 | 27% | 0.266 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 178.7 | -77.9 | 179.1 | -47.3 | 0 | 0 | 111.9 | H9 R10 T11 G17 N19 | H9-Q13 PolarHBondContact CE1-NE2 3.29Å; H9-Q13 VanDerWaalsContact NE2-CD 3.25Å; H9-Q13 PolarHBondContact NE2-NE2 3.13Å; H9-Q13 PolarHBondContact NE2-OE1 3.4Å; H9-Q13 WeakPolarHBondContact O-CG 3.1Å; H9-Q13 PolarHBondContact O-N 3.01Å; R10-Q13 PolarHBondContact O-N 3.05Å; T11-Q13 PolarHBondContact O-N 2.89Å; Q13-G17 PolarHBondContact O-N 3.24Å; Q13-N19 PolarHBondContact NE2-OD1 3.25Å |
| 14 | A | 75.4 | Confident | 74.7 | Confident | 88 Ų | 88 | 94.5 Ų | 94.5 | 73% | 0.727 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.7 | -41.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R10 T11 R12 | R10-A14 PolarHBondContact O-N 3.03Å; R10-A14 VanDerWaalsContact O-N 3.13Å; T11-A14 PolarHBondContact O-N 3.38Å; R12-A14 VanDerWaalsContact C-N 3.34Å |
| 15 | E | 76.1 | Confident | 75.6 | Confident | 116 Ų | 116 | 93 Ų | 93 | 54% | 0.542 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -80.8 | -36.2 | -174.5 | -69.3 | 177.5 | -175.3 | 0 | 0 | 113.6 | L7 T11 | L7-E15 VanDerWaalsContact CD1-OE2 3.3Å; L7-E15 WeakPolarHBondContact CD1-OE2 3.37Å; T11-E15 WeakPolarHBondContact CG2-OE1 3.36Å; T11-E15 WeakPolarHBondContact O-CG 3.39Å; T11-E15 PolarHBondContact O-N 3.19Å |
| 16 | L | 73.8 | Confident | 76.5 | Confident | 53 Ų | 53 | 94 Ų | 94 | 28% | 0.277 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -103.4 | -10 | -171 | -60.1 | 173.9 | 0 | 0 | 0 | 113.6 | F4 R12 L18 Y20 | F4-L16 HydrophobicContact CB-CD1 4.44Å; F4-L16 HydrophobicContact CD1-CD1 4.4Å; F4-L16 HydrophobicContact CD1-CD2 4.48Å; F4-L16 HydrophobicContact CE1-CD2 4.23Å; F4-L16 HydrophobicContact CG-CD1 4.25Å; F4-L16 HydrophobicContact CZ-CD2 4.28Å; R12-L16 HydrophobicContact CG-CD1 4.45Å; R12-L16 WeakPolarHBondContact O-CB 3.48Å; R12-L16 PolarHBondContact O-N 3.21Å; L16-L18 HydrophobicContact CB-CD1 4.29Å; L16-L18 PolarHBondContact O-N 3.09Å; L16-Y20 HydrophobicContact CB-CE2 4.46Å; L16-Y20 HydrophobicContact CD1-CE2 4.23Å |
| 17 | G | 66.6 | Low | 76.5 | Confident | 68 Ų | 68 | 93.2 Ų | 93.2 | 70% | 0.701 | 47% | 0.474 | S | S | * | . | trans | 61.5 | 4.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | Q13 | Q13-G17 PolarHBondContact O-N 3.24Š| ||
| 18 | L | 67.4 | Low | 76.6 | Confident | 98 Ų | 98 | 95.6 Ų | 95.6 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | trans | -92.7 | 113.2 | -178.4 | -78 | 149.9 | 0 | 0 | 0 | 108.2 | L16 Y20 | L16-L18 HydrophobicContact CB-CD1 4.29Å; L16-L18 PolarHBondContact O-N 3.09Å; L18-Y20 VanDerWaalsContact C-N 3.28Å; L18-Y20 HydrophobicContact CB-CD2 4.14Å; L18-Y20 HydrophobicContact CB-CE1 4.04Å; L18-Y20 HydrophobicContact CB-CE2 3.51Å; L18-Y20 VanDerWaalsContact CB-CZ 3.45Å; L18-Y20 VanDerWaalsContact CD1-OH 3.28Å; L18-Y20 WeakPolarHBondContact CD1-OH 3.19Å; L18-Y20 WeakPolarHBondContact O-CD2 2.8Å; L18-Y20 WeakPolarHBondContact O-CE2 2.89Å; L18-Y20 PolarHBondContact O-N 2.88Å | ||
| 19 | N | 67.1 | Low | 76.8 | Confident | 145 Ų | 145 | 96.9 Ų | 96.9 | 78% | 0.775 | 50% | 0.503 | S | S | * | . | trans | -74.4 | 83.1 | 175.3 | -103.4 | -40.1 | 0 | 0 | 0 | 109.9 | Q13 G21 | Q13-N19 PolarHBondContact NE2-OD1 3.25Å; N19-G21 PolarHBondContact O-N 2.75Å; N19-G21 VanDerWaalsContact O-N 3.08Å | ||
| 20 | Y | 65.5 | Low | 77.3 | Confident | 122 Ų | 122 | 99.3 Ų | 99.3 | 48% | 0.478 | 51% | 0.514 | S | S | . | . | trans | -65.2 | -8 | 176.8 | -62.1 | -74.9 | 0 | 0 | 0 | 113.6 | L16 L18 | L16-Y20 HydrophobicContact CB-CE2 4.46Å; L16-Y20 HydrophobicContact CD1-CE2 4.23Å; L18-Y20 VanDerWaalsContact C-N 3.28Å; L18-Y20 HydrophobicContact CB-CD2 4.14Å; L18-Y20 HydrophobicContact CB-CE1 4.04Å; L18-Y20 HydrophobicContact CB-CE2 3.51Å; L18-Y20 VanDerWaalsContact CB-CZ 3.45Å; L18-Y20 VanDerWaalsContact CD1-OH 3.28Å; L18-Y20 WeakPolarHBondContact CD1-OH 3.19Å; L18-Y20 WeakPolarHBondContact O-CD2 2.8Å; L18-Y20 WeakPolarHBondContact O-CE2 2.89Å; L18-Y20 PolarHBondContact O-N 2.88Å | ||
| 21 | G | 74.1 | Confident | 78 | Confident | 26 Ų | 26 | 90.3 Ų | 90.3 | 27% | 0.268 | 49% | 0.485 | S | S | . | . | trans | 69.1 | 174.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112 | H9 N19 | H9-G21 PolarHBondContact CE1-O 2.73Å; N19-G21 PolarHBondContact O-N 2.75Å; N19-G21 VanDerWaalsContact O-N 3.08Å | ||
| 22 | E | 80.6 | Confident | 78.4 | Confident | 65 Ų | 65 | 89.7 Ų | 89.7 | 30% | 0.304 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -57.9 | 145 | 177.6 | -69 | 164.8 | 160.3 | 0 | 0 | 111.4 | R24 V33 R35 | E22-R24 WeakPolarHBondContact O-CG 3.25Å; E22-R24 PolarHBondContact O-N 3.23Å; E22-V33 HydrophobicContact CB-CG1 3.46Å; E22-V33 VanDerWaalsContact CB-CG1 3.46Å; E22-V33 HydrophobicContact CG-CG1 4.37Å; E22-V33 WeakPolarHBondContact OE2-CG1 3.15Å; E22-R35 IonicContact OE1-CZ 2.73Å; E22-R35 IonicContact OE1-NH1 3Å; E22-R35 PolarHBondContact OE1-NH1 3.19Å; E22-R35 IonicContact OE2-CZ 3.26Å; E22-R35 IonicContact OE2-NE 3.31Å; E22-R35 PolarHBondContact OE2-NE 2.76Å; E22-R35 IonicContact OE2-NH1 2.62Å; E22-R35 PolarHBondContact OE2-NH1 3.2Å; E22-R35 IonicContact OE2-NH2 3.78Å; E22-R35 PolarHBondContact OE2-NH2 3.02Å |
| 23 | P | 84.3 | Confident | 78.9 | Confident | 44 Ų | 44 | 86.1 Ų | 86.1 | 29% | 0.286 | 47% | 0.465 | S | S | . | . | trans | -52.7 | 127.6 | 179.1 | -23.6 | 31.2 | 0 | 0 | 0 | 111.4 | H9 V33 F34 W39 | H9-P23 HydrophobicContact CB-CG 4.28Å; P23-V33 WeakPolarHBondContact O-CA 3.41Å; P23-F34 HydrophobicContact CB-CB 3.91Å; P23-F34 HydrophobicContact CG-CB 4.17Å; P23-F34 HydrophobicContact CG-CD1 4.38Å; P23-F34 PolarHBondContact O-N 3.12Å; P23-W39 HydrophobicContact CB-CH2 4.09Å; P23-W39 VanDerWaalsContact O-CZ3 3.29Å; P23-W39 WeakPolarHBondContact O-CZ3 3.47Å | ||
| 24 | R | 84.6 | Confident | 79.4 | Confident | 141 Ų | 141 | 87.1 Ų | 87.1 | 53% | 0.532 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147 | 179.2 | -48.2 | -163.6 | -174.3 | 165.2 | 10.5 | 111 | E22 F32 V33 E42 | E22-R24 WeakPolarHBondContact O-CG 3.25Å; E22-R24 PolarHBondContact O-N 3.23Å; R24-F32 CarbonylContact C-O 3.51Å; R24-F32 WeakPolarHBondContact CA-O 3.36Å; R24-V33 HydrophobicContact CG-CG1 4.35Å; R24-V33 HydrophobicContact CG-CG2 4.01Å; R24-E42 IonicContact CZ-OE1 3.28Å; R24-E42 VanDerWaalsContact CZ-OE1 3.28Å; R24-E42 IonicContact NE-OE1 3.56Å; R24-E42 IonicContact NH1-OE1 2.72Å; R24-E42 PolarHBondContact NH1-OE1 3.33Å |
| 25 | T | 86.7 | Confident | 79.8 | Confident | 67 Ų | 67 | 88.1 Ų | 88.1 | 41% | 0.411 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 156.3 | 172 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | A31 F32 W39 | T25-A31 CarbonylContact O-C 3.56Å; T25-A31 WeakPolarHBondContact O-CA 3.42Å; T25-F32 HydrophobicContact CG2-CB 3.93Å; T25-F32 PolarHBondContact N-O 2.85Å; T25-F32 PolarHBondContact O-N 3.19Å; T25-W39 HydrophobicContact CG2-CD2 4.28Å; T25-W39 HydrophobicContact CG2-CE3 3.77Å; T25-W39 HydrophobicContact CG2-CH2 3.92Å; T25-W39 HydrophobicContact CG2-CZ2 4.42Å; T25-W39 HydrophobicContact CG2-CZ3 3.57Å |
| 26 | R | 87.5 | Confident | 79.7 | Confident | 183 Ų | 183 | 87 Ų | 87 | 69% | 0.691 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126.8 | 175.3 | -65.8 | -178.1 | 66.3 | -162.5 | -2.1 | 108.2 | E30 A31 | R26-E30 WeakPolarHBondContact CA-O 3.33Å; R26-A31 HydrophobicContact CG-CB 4.02Å |
| 27 | L | 82.4 | Confident | 80.1 | Confident | 113 Ų | 113 | 87.5 Ų | 87.5 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 115.2 | 174.3 | -175 | 65.4 | 0 | 0 | 0 | 107.7 | D29 E30 F32 | L27-D29 PolarHBondContact O-N 2.84Å; L27-E30 PolarHBondContact N-O 2.94Å; L27-E30 PolarHBondContact O-N 2.96Å; L27-F32 HydrophobicContact CB-CD2 4.45Å; L27-F32 HydrophobicContact CB-CE2 4.04Å |
| 28 | S | 81 | Confident | 80.9 | Confident | 105 Ų | 105 | 90.4 Ų | 90.4 | 73% | 0.734 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | -120.6 | -166.7 | -51.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 29 | D | 81.2 | Confident | 81.8 | Confident | 153 Ų | 153 | 90.8 Ų | 90.8 | 82% | 0.818 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -0.2 | -179.2 | -61.8 | -44.9 | 0 | 0 | 0 | 113.7 | L27 | L27-D29 PolarHBondContact O-N 2.84Š|
| 30 | E | 83.8 | Confident | 82.7 | Confident | 99 Ų | 99 | 86.1 Ų | 86.1 | 46% | 0.463 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 128.5 | -177.7 | -164.3 | 171.5 | -165.8 | 0 | 0 | 111 | R26 L27 F32 P41 | R26-E30 WeakPolarHBondContact CA-O 3.33Å; L27-E30 PolarHBondContact N-O 2.94Å; L27-E30 PolarHBondContact O-N 2.96Å; E30-F32 HydrophobicContact CB-CE2 3.88Å; E30-F32 HydrophobicContact CB-CZ 4.17Å; E30-F32 HydrophobicContact CG-CE2 3.92Å; E30-F32 HydrophobicContact CG-CZ 3.86Å; E30-P41 HydrophobicContact CG-CB 4.21Å; E30-P41 WeakPolarHBondContact OE1-CB 3.16Å |
| 31 | A | 86.8 | Confident | 83.7 | Confident | 24 Ų | 24 | 83.6 Ų | 83.6 | 20% | 0.198 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 143.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | T25 R26 P41 E42 | T25-A31 CarbonylContact O-C 3.56Å; T25-A31 WeakPolarHBondContact O-CA 3.42Å; R26-A31 HydrophobicContact CG-CB 4.02Å; A31-P41 CarbonylContact O-C 3.48Å; A31-P41 WeakPolarHBondContact O-CA 3.29Å; A31-E42 HydrophobicContact CB-CB 3.83Å; A31-E42 WeakPolarHBondContact CB-OE2 3.44Å; A31-E42 WeakPolarHBondContact O-CB 3.45Å; A31-E42 PolarHBondContact O-N 3.19Å |
| 32 | F | 89.1 | Confident | 84 | Confident | 41 Ų | 41 | 85.3 Ų | 85.3 | 18% | 0.18 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 143.7 | 179.7 | -63.4 | -94.3 | 0 | 0 | 0 | 110.1 | R24 T25 L27 E30 W39 T40 P41 | R24-F32 CarbonylContact C-O 3.51Å; R24-F32 WeakPolarHBondContact CA-O 3.36Å; T25-F32 HydrophobicContact CG2-CB 3.93Å; T25-F32 PolarHBondContact N-O 2.85Å; T25-F32 PolarHBondContact O-N 3.19Å; L27-F32 HydrophobicContact CB-CD2 4.45Å; L27-F32 HydrophobicContact CB-CE2 4.04Å; E30-F32 HydrophobicContact CB-CE2 3.88Å; E30-F32 HydrophobicContact CB-CZ 4.17Å; E30-F32 HydrophobicContact CG-CE2 3.92Å; E30-F32 HydrophobicContact CG-CZ 3.86Å; F32-W39 HydrophobicContact CB-CB 4.46Å; F32-W39 HydrophobicContact CB-CE3 3.87Å; F32-T40 CarbonylContact C-O 3.48Å; F32-T40 VanDerWaalsContact CA-O 3.25Å; F32-T40 WeakPolarHBondContact CA-O 3.3Å; F32-P41 HydrophobicContact CD1-CB 4.1Å; F32-P41 HydrophobicContact CE1-CB 3.94Å |
| 33 | V | 89.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 85.3 Ų | 85.3 | 1% | 0.006 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.7 | 176.6 | -172 | 0 | 0 | 0 | 0 | 109.5 | E22 P23 R24 R35 T40 E42 | E22-V33 HydrophobicContact CB-CG1 3.46Å; E22-V33 VanDerWaalsContact CB-CG1 3.46Å; E22-V33 HydrophobicContact CG-CG1 4.37Å; E22-V33 WeakPolarHBondContact OE2-CG1 3.15Å; P23-V33 WeakPolarHBondContact O-CA 3.41Å; R24-V33 HydrophobicContact CG-CG1 4.35Å; R24-V33 HydrophobicContact CG-CG2 4.01Å; V33-R35 HydrophobicContact CG1-CG 4.16Å; V33-R35 PolarHBondContact O-N 3.45Å; V33-T40 PolarHBondContact N-O 3.48Å; V33-T40 PolarHBondContact O-N 2.97Å; V33-T40 PolarHBondContact O-OG1 2.94Å; V33-E42 HydrophobicContact CG2-CB 3.92Å; V33-E42 HydrophobicContact CG2-CG 3.74Å |
| 34 | F | 83.9 | Confident | 81.9 | Confident | 78 Ų | 78 | 92.9 Ų | 92.9 | 34% | 0.342 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 110.6 | 177.3 | -171.7 | -103.3 | 0 | 0 | 0 | 110.7 | P23 G37 R38 W39 | P23-F34 HydrophobicContact CB-CB 3.91Å; P23-F34 HydrophobicContact CG-CB 4.17Å; P23-F34 HydrophobicContact CG-CD1 4.38Å; P23-F34 PolarHBondContact O-N 3.12Å; F34-G37 WeakPolarHBondContact CE2-O 2.97Å; F34-G37 VanDerWaalsContact CZ-CA 3.41Å; F34-R38 WeakPolarHBondContact CA-O 3.11Å; F34-W39 HydrophobicContact CB-CD2 4.17Å; F34-W39 HydrophobicContact CB-CE3 3.94Å; F34-W39 HydrophobicContact CB-CH2 4.05Å; F34-W39 HydrophobicContact CB-CZ2 4.25Å; F34-W39 HydrophobicContact CB-CZ3 3.88Å; F34-W39 HydrophobicContact CD2-CD2 4.1Å; F34-W39 AromaticContact CD2-CE2 3.91Å; F34-W39 HydrophobicContact CD2-CG 4.29Å; F34-W39 HydrophobicContact CD2-CZ2 4.38Å; F34-W39 AromaticContact CD2-NE1 3.93Å |
| 35 | R | 83 | Confident | 80.2 | Confident | 108 Ų | 108 | 96.1 Ų | 96.1 | 41% | 0.408 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 132.8 | 177.9 | -55.9 | -171.5 | -166.9 | -95.4 | -10.3 | 109.8 | E22 V33 G37 R38 | E22-R35 IonicContact OE1-CZ 2.73Å; E22-R35 IonicContact OE1-NH1 3Å; E22-R35 PolarHBondContact OE1-NH1 3.19Å; E22-R35 IonicContact OE2-CZ 3.26Å; E22-R35 IonicContact OE2-NE 3.31Å; E22-R35 PolarHBondContact OE2-NE 2.76Å; E22-R35 IonicContact OE2-NH1 2.62Å; E22-R35 PolarHBondContact OE2-NH1 3.2Å; E22-R35 IonicContact OE2-NH2 3.78Å; E22-R35 PolarHBondContact OE2-NH2 3.02Å; V33-R35 HydrophobicContact CG1-CG 4.16Å; V33-R35 PolarHBondContact O-N 3.45Å; R35-G37 VanDerWaalsContact C-N 3.27Å; R35-G37 PolarHBondContact O-N 3.26Å; R35-R38 PolarHBondContact N-O 3.28Å; R35-R38 PolarHBondContact O-N 3.05Å; R35-R38 VanDerWaalsContact O-O 3.06Å |
| 36 | G | 75.1 | Confident | 78.1 | Confident | 93 Ų | 93 | 97.4 Ų | 97.4 | 96% | 0.959 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 34.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 37 | G | 81.6 | Confident | 75.8 | Confident | 63 Ų | 63 | 94.3 Ų | 94.3 | 65% | 0.649 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 3.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | F34 R35 | F34-G37 WeakPolarHBondContact CE2-O 2.97Å; F34-G37 VanDerWaalsContact CZ-CA 3.41Å; R35-G37 VanDerWaalsContact C-N 3.27Å; R35-G37 PolarHBondContact O-N 3.26Å |
| 38 | R | 83.1 | Confident | 74 | Confident | 129 Ų | 129 | 93.1 Ų | 93.1 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146.6 | -174.2 | -159.8 | -176.3 | -161.9 | -67.4 | -1.4 | 112.6 | F34 R35 | F34-R38 WeakPolarHBondContact CA-O 3.11Å; R35-R38 PolarHBondContact N-O 3.28Å; R35-R38 PolarHBondContact O-N 3.05Å; R35-R38 VanDerWaalsContact O-O 3.06Å |
| 39 | W | 87.1 | Confident | 72 | Confident | 107 Ų | 107 | 99.5 Ų | 99.5 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 128.8 | 167.2 | -66.3 | 100.7 | 0 | 0 | 0 | 111 | P23 T25 F32 F34 | P23-W39 HydrophobicContact CB-CH2 4.09Å; P23-W39 VanDerWaalsContact O-CZ3 3.29Å; P23-W39 WeakPolarHBondContact O-CZ3 3.47Å; T25-W39 HydrophobicContact CG2-CD2 4.28Å; T25-W39 HydrophobicContact CG2-CE3 3.77Å; T25-W39 HydrophobicContact CG2-CH2 3.92Å; T25-W39 HydrophobicContact CG2-CZ2 4.42Å; T25-W39 HydrophobicContact CG2-CZ3 3.57Å; F32-W39 HydrophobicContact CB-CB 4.46Å; F32-W39 HydrophobicContact CB-CE3 3.87Å; F34-W39 HydrophobicContact CB-CD2 4.17Å; F34-W39 HydrophobicContact CB-CE3 3.94Å; F34-W39 HydrophobicContact CB-CH2 4.05Å; F34-W39 HydrophobicContact CB-CZ2 4.25Å; F34-W39 HydrophobicContact CB-CZ3 3.88Å; F34-W39 HydrophobicContact CD2-CD2 4.1Å; F34-W39 AromaticContact CD2-CE2 3.91Å; F34-W39 HydrophobicContact CD2-CG 4.29Å; F34-W39 HydrophobicContact CD2-CZ2 4.38Å; F34-W39 AromaticContact CD2-NE1 3.93Å |
| 40 | T | 86.1 | Confident | 70.4 | Confident | 47 Ų | 47 | 98.7 Ų | 98.7 | 29% | 0.288 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.5 | 178.9 | 54.7 | 0 | 0 | 0 | 0 | 109.7 | F32 V33 | F32-T40 CarbonylContact C-O 3.48Å; F32-T40 VanDerWaalsContact CA-O 3.25Å; F32-T40 WeakPolarHBondContact CA-O 3.3Å; V33-T40 PolarHBondContact N-O 3.48Å; V33-T40 PolarHBondContact O-N 2.97Å; V33-T40 PolarHBondContact O-OG1 2.94Å |
| 41 | P | 86.4 | Confident | 68.4 | Low | 69 Ų | 69 | 99.5 Ų | 99.5 | 45% | 0.448 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.6 | 135.6 | -179.8 | 27.2 | -33.4 | 0 | 0 | 0 | 111.1 | E30 A31 F32 G43 | E30-P41 HydrophobicContact CG-CB 4.21Å; E30-P41 WeakPolarHBondContact OE1-CB 3.16Å; A31-P41 CarbonylContact O-C 3.48Å; A31-P41 WeakPolarHBondContact O-CA 3.29Å; F32-P41 HydrophobicContact CD1-CB 4.1Å; F32-P41 HydrophobicContact CE1-CB 3.94Å; P41-G43 PolarHBondContact O-N 3.06Å |
| 42 | E | 80.8 | Confident | 66.2 | Low | 62 Ų | 62 | 105.7 Ų | 105.7 | 29% | 0.29 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -74.4 | -1.2 | -176.3 | -160.7 | 168.6 | -169.2 | 0 | 0 | 112.6 | R24 A31 V33 K44 | R24-E42 IonicContact CZ-OE1 3.28Å; R24-E42 VanDerWaalsContact CZ-OE1 3.28Å; R24-E42 IonicContact NE-OE1 3.56Å; R24-E42 IonicContact NH1-OE1 2.72Å; R24-E42 PolarHBondContact NH1-OE1 3.33Å; A31-E42 HydrophobicContact CB-CB 3.83Å; A31-E42 WeakPolarHBondContact CB-OE2 3.44Å; A31-E42 WeakPolarHBondContact O-CB 3.45Å; A31-E42 PolarHBondContact O-N 3.19Å; V33-E42 HydrophobicContact CG2-CB 3.92Å; V33-E42 HydrophobicContact CG2-CG 3.74Å; E42-K44 PolarHBondContact O-N 3.47Å |
| 43 | G | 67.8 | Low | 64.2 | Low | 64 Ų | 64 | 109.4 Ų | 109.4 | 66% | 0.66 | 62% | 0.62 | S | S | * | * | trans | -89.1 | 17.3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | P41 | P41-G43 PolarHBondContact O-N 3.06Š| ||
| 44 | K | 53 | Low | 61.6 | Low | 203 Ų | 203 | 114.3 Ų | 114.3 | 88% | 0.883 | 65% | 0.654 | S | S | * | * | trans | -141.5 | 85.9 | 171.6 | -68 | -169.4 | -177.4 | -174.2 | 0 | 112.5 | E42 | E42-K44 PolarHBondContact O-N 3.47Š| ||
| 45 | R | 48.3 | Very low | 59.8 | Low | 209 Ų | 209 | 116 Ų | 116 | 79% | 0.789 | 68% | 0.676 | S | S | * | * | trans | -103.5 | 86.9 | 153.2 | -65 | -170.6 | -159.6 | 171.1 | 7.6 | 108.6 | ||||
| 46 | A | 41.7 | Very low | 57.8 | Low | 95 Ų | 95 | 116.1 Ų | 116.1 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | trans | -108.5 | 107.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 47 | S | 40.6 | Very low | 56.4 | Low | 118 Ų | 118 | 118.8 Ų | 118.8 | 83% | 0.825 | 68% | 0.679 | S | S | * | * | trans | 53.5 | 132.8 | 147.3 | -147.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 48 | A | 44.4 | Very low | 54.6 | Low | 88 Ų | 88 | 119.7 Ų | 119.7 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | trans | -38.1 | 130.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 49 | R | 38.5 | Very low | 53 | Low | 238 Ų | 238 | 117.7 Ų | 117.7 | 90% | 0.898 | 69% | 0.685 | S | S | * | * | 174.2 | 128.2 | 123.3 | -98.7 | 174 | -160.8 | -165.1 | 4.2 | 109.8 | P51 | R49-P51 WeakPolarHBondContact O-CD 3.48Š| |||
| 50 | T | 47.2 | Very low | 51 | Low | 137 Ų | 137 | 120.4 Ų | 120.4 | 84% | 0.84 | 70% | 0.695 | S | S | * | * | trans | -51.6 | 132.8 | 157.3 | -42 | 0 | 0 | 0 | 0 | 109 | ||||
| 51 | P | 42.2 | Very low | 49.3 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | -138.7 | 142.2 | 108.8 | 20.7 | 0 | 0 | 0 | 0 | 113.8 | R49 | R49-P51 WeakPolarHBondContact O-CD 3.48Š| |||
| 52 | L | 39.9 | Very low | 47.6 | Very low | 154 Ų | 154 | 128.3 Ų | 128.3 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | trans | 26.3 | 150.3 | 149.2 | -112.9 | 59.2 | 0 | 0 | 0 | 122.4 | S54 | L52-S54 PolarHBondContact O-N 2.89Å; L52-S54 VanDerWaalsContact O-N 3.09Å | ||
| 53 | P | 47.3 | Very low | 46.3 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -81 | 98.5 | -169.2 | 34.2 | -26.8 | 0 | 0 | 0 | 111 | S55 | P53-S55 PolarHBondContact O-N 2.92Š| ||
| 54 | S | 35.7 | Very low | 45.6 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -79.7 | 101.9 | 159.2 | 55.1 | 0 | 0 | 0 | 0 | 108.4 | L52 T56 | L52-S54 PolarHBondContact O-N 2.89Å; L52-S54 VanDerWaalsContact O-N 3.09Å; S54-T56 VanDerWaalsContact C-N 3.33Å; S54-T56 PolarHBondContact O-N 3.29Å | ||
| 55 | S | 46.4 | Very low | 45.7 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | trans | -51 | 99.2 | 159.2 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | P53 | P53-S55 PolarHBondContact O-N 2.92Š| ||
| 56 | T | 40.6 | Very low | 46.3 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 68% | 0.681 | 72% | 0.719 | S | S | * | * | trans | -148.2 | 87.3 | 163.1 | -55.3 | 0 | 0 | 0 | 0 | 104.9 | S54 P58 | S54-T56 VanDerWaalsContact C-N 3.33Å; S54-T56 PolarHBondContact O-N 3.29Å; T56-P58 WeakPolarHBondContact O-CD 3.08Å | ||
| 57 | I | 45.9 | Very low | 47.3 | Very low | 148 Ų | 148 | 125.6 Ų | 125.6 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | trans | -59.1 | 111.7 | 165 | -59 | 168.5 | 0 | 0 | 0 | 105.5 | A59 | I57-A59 PolarHBondContact O-N 3.03Š| ||
| 58 | P | 44.8 | Very low | 48.7 | Very low | 82 Ų | 82 | 126.3 Ų | 126.3 | 53% | 0.532 | 70% | 0.7 | S | S | . | * | trans | -74 | 122 | 155.6 | 6.5 | 14.6 | 0 | 0 | 0 | 104.1 | T56 W60 | T56-P58 WeakPolarHBondContact O-CD 3.08Å; P58-W60 VanDerWaalsContact C-N 3.31Å; P58-W60 VanDerWaalsContact CG-NE1 3.31Å; P58-W60 PolarHBondContact O-N 3.39Å; P58-W60 PolarHBondContact O-NE1 3.01Å | ||
| 59 | A | 48.3 | Very low | 50.3 | Low | 88 Ų | 88 | 124.9 Ų | 124.9 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -64.8 | 96.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | I57 K61 | I57-A59 PolarHBondContact O-N 3.03Å; A59-K61 PolarHBondContact O-N 2.95Å | ||
| 60 | W | 45.1 | Very low | 52.6 | Low | 164 Ų | 164 | 118 Ų | 118 | 62% | 0.621 | 66% | 0.663 | S | S | * | * | trans | -73 | 98.5 | 178.7 | -50.3 | -7.5 | 0 | 0 | 0 | 106.1 | P58 P62 | P58-W60 VanDerWaalsContact C-N 3.31Å; P58-W60 VanDerWaalsContact CG-NE1 3.31Å; P58-W60 PolarHBondContact O-N 3.39Å; P58-W60 PolarHBondContact O-NE1 3.01Å; W60-P62 WeakPolarHBondContact O-CD 3.41Å | ||
| 61 | K | 49.6 | Very low | 54.6 | Low | 171 Ų | 171 | 114.6 Ų | 114.6 | 74% | 0.743 | 64% | 0.642 | S | S | * | * | trans | -52.7 | 120.4 | 178.5 | -66.8 | -177.4 | 176.5 | -174.9 | 0 | 109.6 | A59 Q63 | A59-K61 PolarHBondContact O-N 2.95Å; K61-Q63 PolarHBondContact O-N 2.91Å | ||
| 62 | P | 51.3 | Low | 57 | Low | 111 Ų | 111 | 114.3 Ų | 114.3 | 72% | 0.721 | 63% | 0.633 | S | S | * | * | trans | -84.3 | 68 | 177.5 | 34.3 | -31.6 | 0 | 0 | 0 | 108.9 | W60 P66 | W60-P62 WeakPolarHBondContact O-CD 3.41Å; P62-P66 WeakPolarHBondContact O-CD 3.38Å | ||
| 63 | Q | 54.1 | Low | 59.6 | Low | 146 Ų | 146 | 112.2 Ų | 112.2 | 68% | 0.682 | 62% | 0.622 | S | S | * | * | trans | -106.6 | -12 | -173.8 | -147.3 | 173.8 | -1.9 | 0 | 0 | 114.3 | K61 | K61-Q63 PolarHBondContact O-N 2.91Š| ||
| 64 | V | 52.2 | Low | 61.8 | Low | 117 Ų | 117 | 111.8 Ų | 111.8 | 71% | 0.709 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -109.7 | -17 | 180 | -171 | 0 | 0 | 0 | 0 | 113.2 | P66 | V64-P66 VanDerWaalsContact C-CD 3.48Š|
| 65 | Q | 55 | Low | 64.6 | Low | 124 Ų | 124 | 112 Ų | 112 | 58% | 0.579 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -84.1 | -25.7 | 175.6 | -62.5 | -70.5 | 19.7 | 0 | 0 | 116.8 | I67 K68 S69 | Q65-I67 VanDerWaalsContact C-N 3.3Å; Q65-I67 PolarHBondContact O-N 3.41Å; Q65-K68 PolarHBondContact O-N 3.02Å; Q65-S69 PolarHBondContact O-N 3.3Å; Q65-S69 PolarHBondContact O-OG 2.86Å; Q65-S69 VanDerWaalsContact O-OG 3.11Å |
| 66 | P | 61 | Low | 67 | Low | 64 Ų | 64 | 110.3 Ų | 110.3 | 42% | 0.416 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.6 | -32.8 | -171.2 | 22.3 | -28.6 | 0 | 0 | 0 | 112.5 | P62 V64 S69 Q70 | P62-P66 WeakPolarHBondContact O-CD 3.38Å; V64-P66 VanDerWaalsContact C-CD 3.48Å; P66-S69 VanDerWaalsContact CA-OG 3.28Å; P66-S69 WeakPolarHBondContact CA-OG 3.28Å; P66-S69 PolarHBondContact O-OG 3.11Å; P66-Q70 WeakPolarHBondContact O-CB 3.32Å; P66-Q70 PolarHBondContact O-N 3.16Å |
| 67 | I | 63 | Low | 69.8 | Low | 125 Ų | 125 | 110.2 Ų | 110.2 | 64% | 0.641 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.5 | -45.1 | -180 | -56.9 | 172.1 | 0 | 0 | 0 | 110.5 | Q65 Q70 V71 | Q65-I67 VanDerWaalsContact C-N 3.3Å; Q65-I67 PolarHBondContact O-N 3.41Å; I67-Q70 PolarHBondContact O-N 3.34Å; I67-V71 WeakPolarHBondContact O-CG2 3.32Å; I67-V71 PolarHBondContact O-N 3.23Å |
| 68 | K | 69.8 | Low | 72.3 | Confident | 133 Ų | 133 | 109.8 Ų | 109.8 | 58% | 0.578 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.8 | -39.7 | 177.3 | -67.5 | -177.6 | -179.7 | -179.9 | 0 | 111.6 | Q65 Q70 L72 | Q65-K68 PolarHBondContact O-N 3.02Å; K68-Q70 VanDerWaalsContact C-N 3.32Å; K68-L72 VanDerWaalsContact O-CG 3.32Å; K68-L72 WeakPolarHBondContact O-CG 3.3Å; K68-L72 PolarHBondContact O-N 3.01Å; K68-L72 VanDerWaalsContact O-N 3.16Å |
| 69 | S | 79.4 | Confident | 74.8 | Confident | 57 Ų | 57 | 110.1 Ų | 110.1 | 40% | 0.399 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.8 | -34.6 | 174.3 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | Q65 P66 L73 | Q65-S69 PolarHBondContact O-N 3.3Å; Q65-S69 PolarHBondContact O-OG 2.86Å; Q65-S69 VanDerWaalsContact O-OG 3.11Å; P66-S69 VanDerWaalsContact CA-OG 3.28Å; P66-S69 WeakPolarHBondContact CA-OG 3.28Å; P66-S69 PolarHBondContact O-OG 3.11Å; S69-L73 WeakPolarHBondContact O-CB 3.23Å; S69-L73 VanDerWaalsContact O-CG 3.23Å; S69-L73 WeakPolarHBondContact O-CG 3.47Å; S69-L73 PolarHBondContact O-N 3Å |
| 70 | Q | 86.1 | Confident | 77.2 | Confident | 93 Ų | 93 | 111.3 Ų | 111.3 | 44% | 0.435 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.4 | -46.7 | 177.9 | -176.7 | 60.2 | 32.9 | 0 | 0 | 111.4 | P66 I67 K68 L72 L73 E74 | P66-Q70 WeakPolarHBondContact O-CB 3.32Å; P66-Q70 PolarHBondContact O-N 3.16Å; I67-Q70 PolarHBondContact O-N 3.34Å; K68-Q70 VanDerWaalsContact C-N 3.32Å; Q70-L72 VanDerWaalsContact C-N 3.33Å; Q70-L72 PolarHBondContact O-N 3.4Å; Q70-L73 WeakPolarHBondContact O-CB 3.21Å; Q70-L73 PolarHBondContact O-N 3Å; Q70-L73 VanDerWaalsContact O-N 3.13Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.45Å; Q70-E74 PolarHBondContact NE2-OE1 3Å; Q70-E74 WeakPolarHBondContact O-CG 3.49Å; Q70-E74 PolarHBondContact O-N 3.4Å |
| 71 | V | 88.8 | Confident | 79.7 | Confident | 66 Ų | 66 | 108.3 Ų | 108.3 | 40% | 0.4 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 176.5 | 173.8 | 0 | 0 | 0 | 0 | 111 | I67 L73 E74 E75 | I67-V71 WeakPolarHBondContact O-CG2 3.32Å; I67-V71 PolarHBondContact O-N 3.23Å; V71-L73 VanDerWaalsContact C-N 3.31Å; V71-L73 PolarHBondContact O-N 2.87Å; V71-E74 PolarHBondContact O-N 2.95Å; V71-E75 WeakPolarHBondContact O-CG 3.46Å; V71-E75 PolarHBondContact O-N 3.35Å |
| 72 | L | 92.9 | Very high | 82.1 | Confident | 111 Ų | 111 | 103.9 Ų | 103.9 | 58% | 0.581 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -33.3 | 177.2 | -70.4 | 172.4 | 0 | 0 | 0 | 113 | K68 Q70 N76 | K68-L72 VanDerWaalsContact O-CG 3.32Å; K68-L72 WeakPolarHBondContact O-CG 3.3Å; K68-L72 PolarHBondContact O-N 3.01Å; K68-L72 VanDerWaalsContact O-N 3.16Å; Q70-L72 VanDerWaalsContact C-N 3.33Å; Q70-L72 PolarHBondContact O-N 3.4Å; L72-N76 WeakPolarHBondContact O-CB 3.35Å; L72-N76 PolarHBondContact O-N 2.88Å |
| 73 | L | 93.6 | Very high | 84.3 | Confident | 109 Ų | 109 | 104.7 Ų | 104.7 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.6 | -39.9 | 175.2 | -75.9 | 170.1 | 0 | 0 | 0 | 111.8 | S69 Q70 V71 N76 N77 | S69-L73 WeakPolarHBondContact O-CB 3.23Å; S69-L73 VanDerWaalsContact O-CG 3.23Å; S69-L73 WeakPolarHBondContact O-CG 3.47Å; S69-L73 PolarHBondContact O-N 3Å; Q70-L73 WeakPolarHBondContact O-CB 3.21Å; Q70-L73 PolarHBondContact O-N 3Å; Q70-L73 VanDerWaalsContact O-N 3.13Å; V71-L73 VanDerWaalsContact C-N 3.31Å; V71-L73 PolarHBondContact O-N 2.87Å; L73-N76 PolarHBondContact O-N 3.23Å; L73-N77 WeakPolarHBondContact O-CB 3.48Å; L73-N77 PolarHBondContact O-N 3.38Å |
| 74 | E | 94 | Very high | 86.4 | Confident | 111 Ų | 111 | 103.4 Ų | 103.4 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -44.8 | 176.3 | -73.2 | 171.1 | -166.4 | 0 | 0 | 111.5 | Q70 V71 N76 N77 Y78 | Q70-E74 WeakPolarHBondContact CG-OE1 3.45Å; Q70-E74 PolarHBondContact NE2-OE1 3Å; Q70-E74 WeakPolarHBondContact O-CG 3.49Å; Q70-E74 PolarHBondContact O-N 3.4Å; V71-E74 PolarHBondContact O-N 2.95Å; E74-N76 VanDerWaalsContact C-N 3.32Å; E74-N76 PolarHBondContact O-N 3.25Å; E74-N77 PolarHBondContact O-N 3.44Å; E74-Y78 WeakPolarHBondContact O-CB 3.41Å; E74-Y78 PolarHBondContact O-N 3.38Å |
| 75 | E | 95.4 | Very high | 88.6 | Confident | 107 Ų | 107 | 102.8 Ų | 102.8 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 172.7 | -72.7 | 179.1 | 177.4 | 0 | 0 | 111.4 | V71 N77 Y78 L79 | V71-E75 WeakPolarHBondContact O-CG 3.46Å; V71-E75 PolarHBondContact O-N 3.35Å; E75-N77 VanDerWaalsContact C-N 3.33Å; E75-N77 PolarHBondContact O-N 3.44Å; E75-Y78 PolarHBondContact O-N 2.93Å; E75-L79 WeakPolarHBondContact O-CB 3.48Å; E75-L79 VanDerWaalsContact O-CG 3.3Å; E75-L79 WeakPolarHBondContact O-CG 3.36Å; E75-L79 PolarHBondContact O-N 3.16Å |
| 76 | N | 96.9 | Very high | 90.7 | Very high | 78 Ų | 78 | 102.3 Ų | 102.3 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 177.3 | -169.7 | -99 | 0 | 0 | 0 | 112.3 | L72 L73 E74 K80 | L72-N76 WeakPolarHBondContact O-CB 3.35Å; L72-N76 PolarHBondContact O-N 2.88Å; L73-N76 PolarHBondContact O-N 3.23Å; E74-N76 VanDerWaalsContact C-N 3.32Å; E74-N76 PolarHBondContact O-N 3.25Å; N76-K80 WeakPolarHBondContact O-CG 3.44Å; N76-K80 PolarHBondContact O-N 2.69Å; N76-K80 VanDerWaalsContact O-N 3.09Å; N76-K80 WeakPolarHBondContact OD1-CE 3.48Å; N76-K80 PolarHBondContact OD1-NZ 2.96Å |
| 77 | N | 97.7 | Very high | 92.5 | Very high | 109 Ų | 109 | 104.5 Ų | 104.5 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65 | -47.1 | 176.6 | -170.1 | -56.4 | 0 | 0 | 0 | 110.9 | L73 E74 E75 L79 K80 L81 | L73-N77 WeakPolarHBondContact O-CB 3.48Å; L73-N77 PolarHBondContact O-N 3.38Å; E74-N77 PolarHBondContact O-N 3.44Å; E75-N77 VanDerWaalsContact C-N 3.33Å; E75-N77 PolarHBondContact O-N 3.44Å; N77-L79 VanDerWaalsContact C-N 3.35Å; N77-L79 PolarHBondContact O-N 2.94Å; N77-K80 WeakPolarHBondContact O-CB 3.18Å; N77-K80 PolarHBondContact O-N 2.92Å; N77-K80 VanDerWaalsContact O-N 3.16Å; N77-L81 PolarHBondContact O-N 3.46Å |
| 78 | Y | 98.4 | Very high | 94.2 | Very high | 139 Ų | 139 | 103.5 Ų | 103.5 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 177.5 | -178.9 | -102.5 | 0 | 0 | 0 | 112.1 | E74 E75 K80 L81 Q82 | E74-Y78 WeakPolarHBondContact O-CB 3.41Å; E74-Y78 PolarHBondContact O-N 3.38Å; E75-Y78 PolarHBondContact O-N 2.93Å; Y78-K80 VanDerWaalsContact C-N 3.34Å; Y78-K80 PolarHBondContact O-N 3.13Å; Y78-L81 PolarHBondContact O-N 3.09Å; Y78-Q82 HydrophobicContact CD1-CG 4.3Å; Y78-Q82 HydrophobicContact CE1-CG 3.9Å; Y78-Q82 VanDerWaalsContact CE1-NE2 3.27Å; Y78-Q82 HydrophobicContact CE2-CG 4.49Å; Y78-Q82 WeakPolarHBondContact O-CG 3.3Å; Y78-Q82 PolarHBondContact O-N 3.49Å; Y78-Q82 PolarHBondContact OH-NE2 3.27Å; Y78-Q82 VanDerWaalsContact OH-NE2 3.14Å |
| 79 | L | 98.6 | Very high | 95.6 | Very high | 90 Ų | 90 | 102 Ų | 102 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 177.5 | -71.9 | 171.4 | 0 | 0 | 0 | 112.5 | E75 N77 Q82 Q83 | E75-L79 WeakPolarHBondContact O-CB 3.48Å; E75-L79 VanDerWaalsContact O-CG 3.3Å; E75-L79 WeakPolarHBondContact O-CG 3.36Å; E75-L79 PolarHBondContact O-N 3.16Å; N77-L79 VanDerWaalsContact C-N 3.35Å; N77-L79 PolarHBondContact O-N 2.94Å; L79-Q82 PolarHBondContact O-N 2.84Å; L79-Q83 WeakPolarHBondContact O-CG 3.42Å; L79-Q83 PolarHBondContact O-N 3.14Å |
| 80 | K | 98.3 | Very high | 96.5 | Very high | 112 Ų | 112 | 104 Ų | 104 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 174.8 | -78.9 | 170 | 171.9 | 162 | 0 | 111.4 | N76 N77 Y78 Q82 Q83 E84 | N76-K80 WeakPolarHBondContact O-CG 3.44Å; N76-K80 PolarHBondContact O-N 2.69Å; N76-K80 VanDerWaalsContact O-N 3.09Å; N76-K80 WeakPolarHBondContact OD1-CE 3.48Å; N76-K80 PolarHBondContact OD1-NZ 2.96Å; N77-K80 WeakPolarHBondContact O-CB 3.18Å; N77-K80 PolarHBondContact O-N 2.92Å; N77-K80 VanDerWaalsContact O-N 3.16Å; Y78-K80 VanDerWaalsContact C-N 3.34Å; Y78-K80 PolarHBondContact O-N 3.13Å; K80-Q82 VanDerWaalsContact C-N 3.32Å; K80-Q82 PolarHBondContact O-N 2.92Å; K80-Q83 WeakPolarHBondContact O-CB 3.39Å; K80-Q83 PolarHBondContact O-N 3.39Å; K80-Q83 VanDerWaalsContact O-N 3.13Å; K80-E84 WeakPolarHBondContact O-CG 3.29Å; K80-E84 PolarHBondContact O-N 2.99Å |
| 81 | L | 98.6 | Very high | 97.1 | Very high | 102 Ų | 102 | 103.2 Ų | 103.2 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 177.7 | -173.2 | 69.9 | 0 | 0 | 0 | 111.8 | N77 Y78 Q83 E84 L85 | N77-L81 PolarHBondContact O-N 3.46Å; Y78-L81 PolarHBondContact O-N 3.09Å; L81-Q83 VanDerWaalsContact C-N 3.33Å; L81-Q83 PolarHBondContact O-N 3.01Å; L81-E84 PolarHBondContact O-N 3.18Å; L81-L85 WeakPolarHBondContact O-CB 3.45Å; L81-L85 PolarHBondContact O-N 3.47Å |
| 82 | Q | 98.5 | Very high | 97.5 | Very high | 77 Ų | 77 | 104.7 Ų | 104.7 | 36% | 0.36 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 174.3 | -74.8 | -173.6 | -48.3 | 0 | 0 | 112.2 | Y78 L79 K80 L86 | Y78-Q82 HydrophobicContact CD1-CG 4.3Å; Y78-Q82 HydrophobicContact CE1-CG 3.9Å; Y78-Q82 VanDerWaalsContact CE1-NE2 3.27Å; Y78-Q82 HydrophobicContact CE2-CG 4.49Å; Y78-Q82 WeakPolarHBondContact O-CG 3.3Å; Y78-Q82 PolarHBondContact O-N 3.49Å; Y78-Q82 PolarHBondContact OH-NE2 3.27Å; Y78-Q82 VanDerWaalsContact OH-NE2 3.14Å; L79-Q82 PolarHBondContact O-N 2.84Å; K80-Q82 VanDerWaalsContact C-N 3.32Å; K80-Q82 PolarHBondContact O-N 2.92Å; Q82-L86 WeakPolarHBondContact O-CB 3.47Å; Q82-L86 VanDerWaalsContact O-CG 3.3Å; Q82-L86 WeakPolarHBondContact O-CG 3.47Å; Q82-L86 PolarHBondContact O-N 3.41Å |
| 83 | Q | 98.1 | Very high | 97.8 | Very high | 128 Ų | 128 | 103 Ų | 103 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66 | -45 | 177.1 | -73.7 | 175.5 | 6.3 | 0 | 0 | 111.8 | L79 K80 L81 L85 L86 M87 | L79-Q83 WeakPolarHBondContact O-CG 3.42Å; L79-Q83 PolarHBondContact O-N 3.14Å; K80-Q83 WeakPolarHBondContact O-CB 3.39Å; K80-Q83 PolarHBondContact O-N 3.39Å; K80-Q83 VanDerWaalsContact O-N 3.13Å; L81-Q83 VanDerWaalsContact C-N 3.33Å; L81-Q83 PolarHBondContact O-N 3.01Å; Q83-L85 PolarHBondContact O-N 3.49Å; Q83-L86 PolarHBondContact O-N 2.94Å; Q83-M87 VanDerWaalsContact O-CG 3.29Å; Q83-M87 WeakPolarHBondContact O-CG 3.3Å; Q83-M87 PolarHBondContact O-N 2.84Å |
| 84 | E | 98.4 | Very high | 98 | Very high | 119 Ų | 119 | 100.2 Ų | 100.2 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.8 | -48.9 | 176.3 | -73.2 | 174.2 | -175.6 | 0 | 0 | 111.1 | K80 L81 L86 M87 D88 | K80-E84 WeakPolarHBondContact O-CG 3.29Å; K80-E84 PolarHBondContact O-N 2.99Å; L81-E84 PolarHBondContact O-N 3.18Å; E84-L86 PolarHBondContact O-N 3.41Å; E84-M87 PolarHBondContact O-N 2.93Å; E84-D88 PolarHBondContact O-N 2.98Å |
| 85 | L | 98.6 | Very high | 98.2 | Very high | 104 Ų | 104 | 97.2 Ų | 97.2 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 176.8 | 178.3 | 64 | 0 | 0 | 0 | 112.3 | L81 Q83 M87 D88 M89 | L81-L85 WeakPolarHBondContact O-CB 3.45Å; L81-L85 PolarHBondContact O-N 3.47Å; Q83-L85 PolarHBondContact O-N 3.49Å; L85-M87 VanDerWaalsContact C-N 3.31Å; L85-M87 PolarHBondContact O-N 2.9Å; L85-D88 PolarHBondContact O-N 3.13Å; L85-M89 HydrophobicContact CD1-CG 4.32Å; L85-M89 HydrophobicContact CD1-SD 4.38Å; L85-M89 HydrophobicContact CG-SD 4.2Å; L85-M89 WeakPolarHBondContact O-CB 3.45Å; L85-M89 VanDerWaalsContact O-CG 3.3Å; L85-M89 WeakPolarHBondContact O-CG 3.27Å; L85-M89 PolarHBondContact O-N 3.29Å |
| 86 | L | 98.8 | Very high | 98.3 | Very high | 114 Ų | 114 | 99 Ų | 99 | 60% | 0.597 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.8 | -38 | 178.5 | -77.8 | 170.8 | 0 | 0 | 0 | 111.9 | Q82 Q83 E84 M89 L90 | Q82-L86 WeakPolarHBondContact O-CB 3.47Å; Q82-L86 VanDerWaalsContact O-CG 3.3Å; Q82-L86 WeakPolarHBondContact O-CG 3.47Å; Q82-L86 PolarHBondContact O-N 3.41Å; Q83-L86 PolarHBondContact O-N 2.94Å; E84-L86 PolarHBondContact O-N 3.41Å; L86-M89 PolarHBondContact O-N 3.27Å; L86-L90 VanDerWaalsContact O-CB 3.3Å; L86-L90 WeakPolarHBondContact O-CB 3.4Å; L86-L90 PolarHBondContact O-N 3.44Å |
| 87 | M | 98.8 | Very high | 98.3 | Very high | 110 Ų | 110 | 99.9 Ų | 99.9 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 175.2 | -71 | -55.1 | -56.6 | 0 | 0 | 111.7 | Q83 E84 L85 L90 T91 | Q83-M87 VanDerWaalsContact O-CG 3.29Å; Q83-M87 WeakPolarHBondContact O-CG 3.3Å; Q83-M87 PolarHBondContact O-N 2.84Å; E84-M87 PolarHBondContact O-N 2.93Å; L85-M87 VanDerWaalsContact C-N 3.31Å; L85-M87 PolarHBondContact O-N 2.9Å; M87-L90 PolarHBondContact O-N 2.86Å; M87-T91 WeakPolarHBondContact O-CB 3.27Å; M87-T91 VanDerWaalsContact O-CG2 3.27Å; M87-T91 WeakPolarHBondContact O-CG2 3.44Å; M87-T91 PolarHBondContact O-N 3.33Å; M87-T91 PolarHBondContact O-OG1 2.96Å |
| 88 | D | 98.6 | Very high | 98.2 | Very high | 105 Ų | 105 | 99 Ų | 99 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 175.5 | -73.7 | -10.8 | 0 | 0 | 0 | 111.4 | E84 L85 L90 T91 E92 | E84-D88 PolarHBondContact O-N 2.98Å; L85-D88 PolarHBondContact O-N 3.13Å; D88-L90 PolarHBondContact O-N 3.03Å; D88-T91 WeakPolarHBondContact CA-OG1 3.28Å; D88-T91 PolarHBondContact O-N 2.91Å; D88-T91 PolarHBondContact O-OG1 3.46Å; D88-E92 WeakPolarHBondContact O-CB 3.45Å; D88-E92 PolarHBondContact O-N 3.48Å |
| 89 | M | 98.8 | Very high | 98 | Very high | 102 Ų | 102 | 97.3 Ų | 97.3 | 50% | 0.502 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 176.5 | -70.9 | -178.2 | 70.7 | 0 | 0 | 112.2 | L85 L86 T93 | L85-M89 HydrophobicContact CD1-CG 4.32Å; L85-M89 HydrophobicContact CD1-SD 4.38Å; L85-M89 HydrophobicContact CG-SD 4.2Å; L85-M89 WeakPolarHBondContact O-CB 3.45Å; L85-M89 VanDerWaalsContact O-CG 3.3Å; L85-M89 WeakPolarHBondContact O-CG 3.27Å; L85-M89 PolarHBondContact O-N 3.29Å; L86-M89 PolarHBondContact O-N 3.27Å; M89-T93 WeakPolarHBondContact O-CB 3.41Å; M89-T93 VanDerWaalsContact O-CG2 3.27Å; M89-T93 WeakPolarHBondContact O-CG2 3.5Å; M89-T93 PolarHBondContact O-N 3.42Å; M89-T93 PolarHBondContact O-OG1 2.96Å |
| 90 | L | 98.6 | Very high | 97.8 | Very high | 99 Ų | 99 | 98 Ų | 98 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 178.1 | -172.6 | 146.4 | 0 | 0 | 0 | 111.4 | L86 M87 D88 T93 T94 | L86-L90 VanDerWaalsContact O-CB 3.3Å; L86-L90 WeakPolarHBondContact O-CB 3.4Å; L86-L90 PolarHBondContact O-N 3.44Å; M87-L90 PolarHBondContact O-N 2.86Å; D88-L90 PolarHBondContact O-N 3.03Å; L90-T93 WeakPolarHBondContact CA-OG1 3.43Å; L90-T93 PolarHBondContact O-OG1 2.81Å; L90-T94 VanDerWaalsContact O-CB 3.28Å; L90-T94 WeakPolarHBondContact O-CB 3.33Å; L90-T94 PolarHBondContact O-N 3.37Å; L90-T94 PolarHBondContact O-OG1 2.88Å |
| 91 | T | 98.4 | Very high | 97.5 | Very high | 75 Ų | 75 | 97.2 Ų | 97.2 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -42 | 177.3 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | M87 D88 T94 A95 | M87-T91 WeakPolarHBondContact O-CB 3.27Å; M87-T91 VanDerWaalsContact O-CG2 3.27Å; M87-T91 WeakPolarHBondContact O-CG2 3.44Å; M87-T91 PolarHBondContact O-N 3.33Å; M87-T91 PolarHBondContact O-OG1 2.96Å; D88-T91 WeakPolarHBondContact CA-OG1 3.28Å; D88-T91 PolarHBondContact O-N 2.91Å; D88-T91 PolarHBondContact O-OG1 3.46Å; T91-T94 PolarHBondContact O-N 2.94Å; T91-A95 WeakPolarHBondContact O-CB 3.35Å; T91-A95 PolarHBondContact O-N 3.47Å |
| 92 | E | 98.1 | Very high | 97.1 | Very high | 97 Ų | 97 | 98.7 Ų | 98.7 | 45% | 0.453 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 175.6 | -177.5 | 177.1 | -159 | 0 | 0 | 112.1 | D88 T94 A95 R96 | D88-E92 WeakPolarHBondContact O-CB 3.45Å; D88-E92 PolarHBondContact O-N 3.48Å; E92-T94 VanDerWaalsContact C-N 3.3Å; E92-T94 PolarHBondContact O-N 2.88Å; E92-A95 PolarHBondContact O-N 2.95Å; E92-R96 VanDerWaalsContact CD-NH2 3.33Å; E92-R96 WeakPolarHBondContact O-CG 3.38Å; E92-R96 PolarHBondContact O-N 3.35Å; E92-R96 IonicContact OE1-CZ 2.64Å; E92-R96 VanDerWaalsContact OE1-CZ 3.26Å; E92-R96 IonicContact OE1-NE 2.9Å; E92-R96 PolarHBondContact OE1-NE 2.89Å; E92-R96 IonicContact OE1-NH2 3.65Å; E92-R96 PolarHBondContact OE1-NH2 2.91Å; E92-R96 IonicContact OE2-NH2 3.33Å |
| 93 | T | 98.1 | Very high | 96.5 | Very high | 77 Ų | 77 | 101.4 Ų | 101.4 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 178.3 | 49.9 | 0 | 0 | 0 | 0 | 111.7 | M89 L90 R96 M97 | M89-T93 WeakPolarHBondContact O-CB 3.41Å; M89-T93 VanDerWaalsContact O-CG2 3.27Å; M89-T93 WeakPolarHBondContact O-CG2 3.5Å; M89-T93 PolarHBondContact O-N 3.42Å; M89-T93 PolarHBondContact O-OG1 2.96Å; L90-T93 WeakPolarHBondContact CA-OG1 3.43Å; L90-T93 PolarHBondContact O-OG1 2.81Å; T93-R96 PolarHBondContact O-N 3.39Å; T93-M97 WeakPolarHBondContact O-CB 3.32Å; T93-M97 PolarHBondContact O-N 3.31Å |
| 94 | T | 98.1 | Very high | 96 | Very high | 49 Ų | 49 | 99.1 Ų | 99.1 | 30% | 0.301 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 174.6 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | L90 T91 E92 R96 M97 Q98 | L90-T94 VanDerWaalsContact O-CB 3.28Å; L90-T94 WeakPolarHBondContact O-CB 3.33Å; L90-T94 PolarHBondContact O-N 3.37Å; L90-T94 PolarHBondContact O-OG1 2.88Å; T91-T94 PolarHBondContact O-N 2.94Å; E92-T94 VanDerWaalsContact C-N 3.3Å; E92-T94 PolarHBondContact O-N 2.88Å; T94-R96 PolarHBondContact O-N 3.4Å; T94-M97 PolarHBondContact O-N 2.91Å; T94-Q98 WeakPolarHBondContact O-CG 3.3Å; T94-Q98 PolarHBondContact O-N 3.16Å |
| 95 | A | 97.9 | Very high | 95.1 | Very high | 49 Ų | 49 | 98.5 Ų | 98.5 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T91 E92 Q98 L99 | T91-A95 WeakPolarHBondContact O-CB 3.35Å; T91-A95 PolarHBondContact O-N 3.47Å; E92-A95 PolarHBondContact O-N 2.95Å; A95-Q98 PolarHBondContact O-N 3.46Å; A95-L99 WeakPolarHBondContact O-CG 3.45Å; A95-L99 PolarHBondContact O-N 3.33Å |
| 96 | R | 97.5 | Very high | 94 | Very high | 144 Ų | 144 | 96.3 Ų | 96.3 | 54% | 0.543 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 175.5 | -70.5 | 173.5 | -178.7 | -168.4 | 1.4 | 111.7 | E92 T93 T94 L99 L100 | E92-R96 VanDerWaalsContact CD-NH2 3.33Å; E92-R96 WeakPolarHBondContact O-CG 3.38Å; E92-R96 PolarHBondContact O-N 3.35Å; E92-R96 IonicContact OE1-CZ 2.64Å; E92-R96 VanDerWaalsContact OE1-CZ 3.26Å; E92-R96 IonicContact OE1-NE 2.9Å; E92-R96 PolarHBondContact OE1-NE 2.89Å; E92-R96 IonicContact OE1-NH2 3.65Å; E92-R96 PolarHBondContact OE1-NH2 2.91Å; E92-R96 IonicContact OE2-NH2 3.33Å; T93-R96 PolarHBondContact O-N 3.39Å; T94-R96 PolarHBondContact O-N 3.4Å; R96-L99 PolarHBondContact O-N 2.95Å; R96-L100 WeakPolarHBondContact O-CG 3.44Å; R96-L100 PolarHBondContact O-N 3.46Å |
| 97 | M | 97.2 | Very high | 92.8 | Very high | 96 Ų | 96 | 97.2 Ų | 97.2 | 47% | 0.473 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.1 | -49.6 | 176.7 | -176.6 | -175.5 | 76.4 | 0 | 0 | 111.2 | T93 T94 L99 L100 E101 | T93-M97 WeakPolarHBondContact O-CB 3.32Å; T93-M97 PolarHBondContact O-N 3.31Å; T94-M97 PolarHBondContact O-N 2.91Å; M97-L99 VanDerWaalsContact C-N 3.28Å; M97-L99 PolarHBondContact O-N 2.93Å; M97-L100 WeakPolarHBondContact O-CB 3.47Å; M97-L100 PolarHBondContact O-N 3.01Å; M97-E101 HydrophobicContact CG-CG 4.49Å; M97-E101 WeakPolarHBondContact O-CG 3.35Å; M97-E101 PolarHBondContact O-N 2.62Å |
| 98 | Q | 96 | Very high | 91.5 | Very high | 91 Ų | 91 | 98 Ų | 98 | 43% | 0.425 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -34.1 | 178.3 | -71.5 | 177.3 | -3.4 | 0 | 0 | 113.1 | T94 A95 K102 | T94-Q98 WeakPolarHBondContact O-CG 3.3Å; T94-Q98 PolarHBondContact O-N 3.16Å; A95-Q98 PolarHBondContact O-N 3.46Å; Q98-K102 VanDerWaalsContact O-CG 3.25Å; Q98-K102 WeakPolarHBondContact O-CG 3.38Å; Q98-K102 PolarHBondContact O-N 3.16Å; Q98-K102 VanDerWaalsContact O-N 3.12Å |
| 99 | L | 94.8 | Very high | 89.8 | Confident | 104 Ų | 104 | 97.3 Ų | 97.3 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.8 | -36.9 | 173.8 | -75 | 174.6 | 0 | 0 | 0 | 112.1 | A95 R96 M97 K103 | A95-L99 WeakPolarHBondContact O-CG 3.45Å; A95-L99 PolarHBondContact O-N 3.33Å; R96-L99 PolarHBondContact O-N 2.95Å; M97-L99 VanDerWaalsContact C-N 3.28Å; M97-L99 PolarHBondContact O-N 2.93Å; L99-K103 WeakPolarHBondContact O-CG 3.41Å; L99-K103 PolarHBondContact O-N 3.45Å |
| 100 | L | 94.4 | Very high | 87.9 | Confident | 104 Ų | 104 | 97.4 Ų | 97.4 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.5 | -44.2 | 175.5 | -69 | 173.5 | 0 | 0 | 0 | 111.5 | R96 M97 K102 K103 V104 | R96-L100 WeakPolarHBondContact O-CG 3.44Å; R96-L100 PolarHBondContact O-N 3.46Å; M97-L100 WeakPolarHBondContact O-CB 3.47Å; M97-L100 PolarHBondContact O-N 3.01Å; L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 2.85Å; L100-K103 PolarHBondContact O-N 3.38Å; L100-K103 VanDerWaalsContact O-N 3.09Å; L100-V104 WeakPolarHBondContact O-CG2 3.35Å; L100-V104 PolarHBondContact O-N 3.22Å |
| 101 | E | 91.4 | Very high | 86 | Confident | 95 Ų | 95 | 94.8 Ų | 94.8 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -53.5 | -49.9 | 174.4 | -72.4 | 172.3 | 168.8 | 0 | 0 | 110.9 | M97 K103 V104 D105 | M97-E101 HydrophobicContact CG-CG 4.49Å; M97-E101 WeakPolarHBondContact O-CG 3.35Å; M97-E101 PolarHBondContact O-N 2.62Å; E101-K103 VanDerWaalsContact C-N 3.3Å; E101-K103 PolarHBondContact O-N 3.07Å; E101-V104 PolarHBondContact O-N 2.93Å; E101-D105 WeakPolarHBondContact O-CB 3.37Å; E101-D105 VanDerWaalsContact O-CG 3.24Å; E101-D105 PolarHBondContact O-N 3.09Å |
| 102 | K | 89.6 | Confident | 84 | Confident | 134 Ų | 134 | 94 Ų | 94 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.4 | -36.8 | 176.9 | -72.9 | 170.5 | -176.7 | 173.7 | 0 | 113.8 | Q98 L100 A106 | Q98-K102 VanDerWaalsContact O-CG 3.25Å; Q98-K102 WeakPolarHBondContact O-CG 3.38Å; Q98-K102 PolarHBondContact O-N 3.16Å; Q98-K102 VanDerWaalsContact O-N 3.12Å; L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 2.85Å; K102-A106 WeakPolarHBondContact O-CB 3.45Å; K102-A106 PolarHBondContact O-N 3.4Å |
| 103 | K | 86.5 | Confident | 81.9 | Confident | 134 Ų | 134 | 93.2 Ų | 93.2 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.8 | -45.9 | 177.4 | -74.5 | 175.6 | -179.4 | -175.2 | 0 | 111 | L99 L100 E101 D105 A106 D107 | L99-K103 WeakPolarHBondContact O-CG 3.41Å; L99-K103 PolarHBondContact O-N 3.45Å; L100-K103 PolarHBondContact O-N 3.38Å; L100-K103 VanDerWaalsContact O-N 3.09Å; E101-K103 VanDerWaalsContact C-N 3.3Å; E101-K103 PolarHBondContact O-N 3.07Å; K103-D105 VanDerWaalsContact C-N 3.32Å; K103-D105 PolarHBondContact O-N 3.25Å; K103-A106 WeakPolarHBondContact O-CB 3.33Å; K103-A106 PolarHBondContact O-N 3.12Å; K103-A106 VanDerWaalsContact O-N 3.16Å; K103-D107 PolarHBondContact O-N 3.29Å |
| 104 | V | 87.2 | Confident | 79.8 | Confident | 79 Ų | 79 | 92.8 Ų | 92.8 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 176 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L100 E101 A106 D107 N108 | L100-V104 WeakPolarHBondContact O-CG2 3.35Å; L100-V104 PolarHBondContact O-N 3.22Å; E101-V104 PolarHBondContact O-N 2.93Å; V104-A106 VanDerWaalsContact C-N 3.33Å; V104-A106 PolarHBondContact O-N 3.07Å; V104-D107 PolarHBondContact O-N 3.29Å; V104-N108 VanDerWaalsContact CG1-ND2 3.32Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.49Å; V104-N108 WeakPolarHBondContact O-CB 3.25Å; V104-N108 VanDerWaalsContact O-CG 3.29Å; V104-N108 PolarHBondContact O-N 3.06Å; V104-N108 PolarHBondContact O-ND2 3.31Å |
| 105 | D | 79 | Confident | 77.8 | Confident | 107 Ų | 107 | 100.1 Ų | 100.1 | 57% | 0.572 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.9 | -36.6 | 175.5 | -70.2 | -27.8 | 0 | 0 | 0 | 112.7 | E101 K103 N109 | E101-D105 WeakPolarHBondContact O-CB 3.37Å; E101-D105 VanDerWaalsContact O-CG 3.24Å; E101-D105 PolarHBondContact O-N 3.09Å; K103-D105 VanDerWaalsContact C-N 3.32Å; K103-D105 PolarHBondContact O-N 3.25Å; D105-N109 PolarHBondContact O-N 2.93Å; D105-N109 VanDerWaalsContact O-N 3.16Å |
| 106 | A | 77.3 | Confident | 75.8 | Confident | 58 Ų | 58 | 101.8 Ų | 101.8 | 48% | 0.479 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.3 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K102 K103 V104 N109 | K102-A106 WeakPolarHBondContact O-CB 3.45Å; K102-A106 PolarHBondContact O-N 3.4Å; K103-A106 WeakPolarHBondContact O-CB 3.33Å; K103-A106 PolarHBondContact O-N 3.12Å; K103-A106 VanDerWaalsContact O-N 3.16Å; V104-A106 VanDerWaalsContact C-N 3.33Å; V104-A106 PolarHBondContact O-N 3.07Å; A106-N109 CarbonylContact O-C 3.25Å; A106-N109 VanDerWaalsContact O-C 3.25Å; A106-N109 PolarHBondContact O-N 3.23Å |
| 107 | D | 72.9 | Confident | 73.6 | Confident | 133 Ų | 133 | 105.6 Ų | 105.6 | 71% | 0.711 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.6 | -35.8 | 177.5 | -71.2 | -23 | 0 | 0 | 0 | 111.9 | K103 V104 N109 | K103-D107 PolarHBondContact O-N 3.29Å; V104-D107 PolarHBondContact O-N 3.29Å; D107-N109 VanDerWaalsContact C-N 3.29Å; D107-N109 PolarHBondContact O-N 3.44Å |
| 108 | N | 72.3 | Confident | 71.6 | Confident | 127 Ų | 127 | 109.9 Ų | 109.9 | 68% | 0.679 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -75.4 | -14.7 | 175.5 | -72.3 | -40.7 | 0 | 0 | 0 | 113.6 | V104 | V104-N108 VanDerWaalsContact CG1-ND2 3.32Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.49Å; V104-N108 WeakPolarHBondContact O-CB 3.25Å; V104-N108 VanDerWaalsContact O-CG 3.29Å; V104-N108 PolarHBondContact O-N 3.06Å; V104-N108 PolarHBondContact O-ND2 3.31Å |
| 109 | N | 61.4 | Low | 70 | Confident | 89 Ų | 89 | 116.3 Ų | 116.3 | 48% | 0.476 | 60% | 0.599 | S | S | . | * | trans | -134 | 74.8 | 177 | -171.8 | 4.8 | 0 | 0 | 0 | 112.1 | D105 A106 D107 A111 A112 | D105-N109 PolarHBondContact O-N 2.93Å; D105-N109 VanDerWaalsContact O-N 3.16Å; A106-N109 CarbonylContact O-C 3.25Å; A106-N109 VanDerWaalsContact O-C 3.25Å; A106-N109 PolarHBondContact O-N 3.23Å; D107-N109 VanDerWaalsContact C-N 3.29Å; D107-N109 PolarHBondContact O-N 3.44Å; N109-A111 PolarHBondContact O-N 3.39Å; N109-A111 PolarHBondContact OD1-N 2.94Å; N109-A112 PolarHBondContact O-N 2.94Å | ||
| 110 | P | 59.8 | Low | 68.5 | Low | 104 Ų | 104 | 120.6 Ų | 120.6 | 68% | 0.675 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -3.4 | 179.6 | 27.4 | -35.4 | 0 | 0 | 0 | 113.9 | ||
| 111 | A | 57.7 | Low | 66.8 | Low | 44 Ų | 44 | 123.9 Ų | 123.9 | 36% | 0.364 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.2 | -8.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N109 | N109-A111 PolarHBondContact O-N 3.39Å; N109-A111 PolarHBondContact OD1-N 2.94Å |
| 112 | A | 56 | Low | 65 | Low | 59 Ų | 59 | 125 Ų | 125 | 49% | 0.488 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65.9 | -46.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | N109 A114 R115 | N109-A112 PolarHBondContact O-N 2.94Å; A112-A114 VanDerWaalsContact C-N 3.26Å; A112-A114 PolarHBondContact O-N 3.31Å; A112-R115 PolarHBondContact O-N 3.33Å |
| 113 | P | 55.2 | Low | 63.5 | Low | 81 Ų | 81 | 127.3 Ų | 127.3 | 53% | 0.526 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -68 | -25.1 | 177.8 | 26.2 | -33.7 | 0 | 0 | 0 | 112.5 | R115 S116 W117 | P113-R115 VanDerWaalsContact C-N 3.25Å; P113-R115 PolarHBondContact O-N 3.09Å; P113-S116 PolarHBondContact O-OG 3.32Å; P113-S116 VanDerWaalsContact O-OG 3.09Å; P113-W117 VanDerWaalsContact O-CD1 3.25Å |
| 114 | A | 53.2 | Low | 62.1 | Low | 68 Ų | 68 | 130.4 Ų | 130.4 | 56% | 0.562 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.1 | -21.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A112 | A112-A114 VanDerWaalsContact C-N 3.26Å; A112-A114 PolarHBondContact O-N 3.31Å |
| 115 | R | 55.7 | Low | 59.9 | Low | 203 Ų | 203 | 137.2 Ų | 137.2 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -84.9 | -22.9 | -177.4 | -69.3 | 178.9 | 178.2 | -118.6 | 1.5 | 113.7 | A112 P113 | A112-R115 PolarHBondContact O-N 3.33Å; P113-R115 VanDerWaalsContact C-N 3.25Å; P113-R115 PolarHBondContact O-N 3.09Å |
| 116 | S | 56.2 | Low | 58.3 | Low | 83 Ų | 83 | 135.6 Ų | 135.6 | 58% | 0.58 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -77.7 | -24.2 | -177.1 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | P113 | P113-S116 PolarHBondContact O-OG 3.32Å; P113-S116 VanDerWaalsContact O-OG 3.09Å |
| 117 | W | 50.9 | Low | 57 | Low | 224 Ų | 224 | 138 Ų | 138 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -83.9 | -12.6 | 179.8 | -64.4 | 77.7 | 0 | 0 | 0 | 114 | P113 R119 | P113-W117 VanDerWaalsContact O-CD1 3.25Å; W117-R119 VanDerWaalsContact C-N 3.3Å; W117-R119 PolarHBondContact O-N 3.34Å |
| 118 | K | 57.1 | Low | 55.6 | Low | 187 Ų | 187 | 135.1 Ų | 135.1 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -79.6 | 0.4 | -178.3 | -87.3 | -83.3 | -173.8 | -173.4 | 0 | 114.8 | ||
| 119 | R | 60.9 | Low | 54.5 | Low | 226 Ų | 226 | 135.3 Ų | 135.3 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -114.4 | 33.6 | -174.2 | -152.9 | -175.7 | -179.5 | 166.2 | 0.8 | 115 | W117 | W117-R119 VanDerWaalsContact C-N 3.3Å; W117-R119 PolarHBondContact O-N 3.34Å |
| 120 | K | 63.2 | Low | 53.9 | Low | 193 Ų | 193 | 138.9 Ų | 138.9 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | trans | -136.5 | 74.9 | 166.6 | -69.3 | -78.8 | -173.1 | 170.5 | 0 | 109.4 | ||||
| 121 | M | 59.9 | Low | 53.3 | Low | 173 Ų | 173 | 140.9 Ų | 140.9 | 85% | 0.852 | 74% | 0.744 | S | S | * | * | trans | -96 | 119.4 | 155.6 | -73.8 | -66.4 | -177.1 | 0 | 0 | 107.2 | K123 | M121-K123 PolarHBondContact O-N 2.92Š| ||
| 122 | P | 54.1 | Low | 52.7 | Low | 119 Ų | 119 | 146.2 Ų | 146.2 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -64 | 118.6 | 167.4 | -14 | 28.1 | 0 | 0 | 0 | 108.1 | Q124 | P122-Q124 VanDerWaalsContact C-N 3.33Å; P122-Q124 PolarHBondContact O-N 3.21Å | ||
| 123 | K | 57.3 | Low | 52.4 | Low | 183 Ų | 183 | 151.8 Ų | 151.8 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | -68.7 | 89.6 | 173.8 | -175.7 | 170.1 | -179.4 | 177.3 | 0 | 108.2 | M121 R125 | M121-K123 PolarHBondContact O-N 2.92Å; K123-R125 HydrophobicContact CG-CB 4.32Å; K123-R125 PolarHBondContact O-N 3.11Å; K123-R125 VanDerWaalsContact O-N 3.11Å | ||
| 124 | Q | 56.9 | Low | 52.2 | Low | 198 Ų | 198 | 153.5 Ų | 153.5 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -67.9 | 106.7 | 161.9 | -103.8 | -153.2 | 13.2 | 0 | 0 | 107.7 | P122 | P122-Q124 VanDerWaalsContact C-N 3.33Å; P122-Q124 PolarHBondContact O-N 3.21Å | ||
| 125 | R | 41.8 | Very low | 51.6 | Low | 222 Ų | 222 | 161.1 Ų | 161.1 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -142.4 | 100.6 | 167.4 | -153 | -178.1 | -132.7 | -127.2 | 3.4 | 109.2 | K123 | K123-R125 HydrophobicContact CG-CB 4.32Å; K123-R125 PolarHBondContact O-N 3.11Å; K123-R125 VanDerWaalsContact O-N 3.11Å | ||
| 126 | G | 45.1 | Very low | 51.1 | Low | 74 Ų | 74 | 156.3 Ų | 156.3 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | 102.9 | 117.2 | 141 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 127 | A | 48.6 | Very low | 50.6 | Low | 109 Ų | 109 | 159.4 Ų | 159.4 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | 72.8 | 83.2 | 138 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 128 | G | 43.4 | Very low | 50.4 | Low | 71 Ų | 71 | 157.4 Ų | 157.4 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | -123.6 | 104.7 | 145.5 | 0 | 0 | 0 | 0 | 0 | 108 | L130 | G128-L130 PolarHBondContact O-N 3.21Š| ||
| 129 | V | 50.4 | Low | 49.8 | Very low | 131 Ų | 131 | 153.5 Ų | 153.5 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -58.3 | 116.6 | 171.3 | 173.2 | 0 | 0 | 0 | 0 | 107.9 | I131 | V129-I131 HydrophobicContact CG1-CG1 4.28Š| ||
| 130 | L | 49 | Very low | 48.9 | Very low | 164 Ų | 164 | 158 Ų | 158 | 86% | 0.859 | 83% | 0.832 | S | S | * | * | trans | -114.5 | 109.8 | 161.2 | -73.8 | 175.1 | 0 | 0 | 0 | 107.6 | G128 I132 | G128-L130 PolarHBondContact O-N 3.21Å; L130-I132 PolarHBondContact O-N 3.33Å | ||
| 131 | I | 46.1 | Very low | 48.2 | Very low | 146 Ų | 146 | 156.2 Ų | 156.2 | 75% | 0.749 | 83% | 0.832 | S | S | * | * | trans | -54.6 | 120 | 175.9 | -65.1 | 171.3 | 0 | 0 | 0 | 108.3 | V129 Q133 | V129-I131 HydrophobicContact CG1-CG1 4.28Å; I131-Q133 PolarHBondContact O-N 3.3Å | ||
| 132 | I | 45.5 | Very low | 47.6 | Very low | 156 Ų | 156 | 155.3 Ų | 155.3 | 80% | 0.8 | 83% | 0.831 | S | S | * | * | trans | -73.3 | 110.8 | 167.4 | -61.6 | 166.6 | 0 | 0 | 0 | 106.6 | L130 | L130-I132 PolarHBondContact O-N 3.33Š| ||
| 133 | Q | 49.8 | Very low | 47.2 | Very low | 177 Ų | 177 | 157.3 Ų | 157.3 | 83% | 0.827 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 121.9 | 157.3 | -97.6 | -176.6 | 56 | 0 | 0 | 107.9 | I131 R135 | I131-Q133 PolarHBondContact O-N 3.3Å; Q133-R135 PolarHBondContact O-N 3.44Å |
| 134 | P | 50.2 | Low | 46.6 | Very low | 116 Ų | 116 | 155.8 Ų | 155.8 | 75% | 0.753 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 124.1 | 173.4 | 28.9 | -29.5 | 0 | 0 | 0 | 109.7 | A136 | P134-A136 PolarHBondContact O-N 3.36Š|
| 135 | R | 41.5 | Very low | 45.9 | Very low | 228 Ų | 228 | 153.2 Ų | 153.2 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 124.3 | 159.3 | -91.9 | -168.3 | 173.5 | -173.7 | -1 | 108.7 | Q133 | Q133-R135 PolarHBondContact O-N 3.44Š|
| 136 | A | 44.9 | Very low | 46.2 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 122 | 152.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | P134 | P134-A136 PolarHBondContact O-N 3.36Š|
| 137 | L | 46.7 | Very low | 46.3 | Very low | 147 Ų | 147 | 153.9 Ų | 153.9 | 77% | 0.77 | 84% | 0.835 | S | S | * | * | trans | -109 | 110.2 | 169.2 | -123 | 166.9 | 0 | 0 | 0 | 105 | ||||
| 138 | E | 44.9 | Very low | 46.1 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | trans | -161.7 | 143.7 | 162.9 | -97.8 | 158.1 | -152.4 | 0 | 0 | 105.6 | ||||
| 139 | S | 44.9 | Very low | 46.3 | Very low | 104 Ų | 104 | 164.6 Ų | 164.6 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | cis | 173.2 | 123.2 | -15.1 | -90.6 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 140 | R | 42.1 | Very low | 46 | Very low | 320 Ų | 320 | 167.6 Ų | 167.6 | 100% | 1.208 | 84% | 0.842 | S | S | * | * | trans | 67.8 | 0 | 159.8 | -163.9 | 177.9 | -96.2 | -92.3 | 4.8 | 119.5 |
Retrieved 140 of 140 residues in 22.5 ms
(Link to these results)