| 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 | 53.3 | Low | 68.5 | Low | 234 Ų | 234 | 134.4 Ų | 134.4 | 100% | 1.153 | 66% | 0.658 | S | S | * | * | 0 | 118.6 | 0 | -61.7 | -155.7 | -175.4 | 0 | 0 | 109.9 | |||||
| 2 | G | 58.9 | Low | 70 | Confident | 62 Ų | 62 | 131.2 Ų | 131.2 | 64% | 0.639 | 64% | 0.638 | S | S | * | * | trans | -72.6 | 165.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | K4 G5 | G2-K4 PolarHBondContact O-N 3.37Å; G2-G5 PolarHBondContact O-N 3.32Å | ||
| 3 | R | 62.2 | Low | 71.4 | Confident | 201 Ų | 201 | 131.2 Ų | 131.2 | 76% | 0.758 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.6 | -13.3 | 174.9 | -93.5 | 179.8 | 171.6 | 151.8 | -2.5 | 115.1 | R7 | R3-R7 WeakPolarHBondContact O-CB 3.49Š|
| 4 | K | 65.8 | Low | 72.8 | Confident | 182 Ų | 182 | 134 Ų | 134 | 79% | 0.791 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -18.1 | -172.1 | -65.4 | 179.9 | -179.5 | 175 | 0 | 115.3 | G2 N8 | G2-K4 PolarHBondContact O-N 3.37Å; K4-N8 VanDerWaalsContact O-CB 3.27Å; K4-N8 WeakPolarHBondContact O-CB 3.49Å |
| 5 | G | 62.6 | Low | 73.8 | Confident | 40 Ų | 40 | 130.3 Ų | 130.3 | 41% | 0.412 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -86.7 | -93.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G2 R7 N8 | G2-G5 PolarHBondContact O-N 3.32Å; G5-R7 VanDerWaalsContact C-N 3.33Å; G5-R7 PolarHBondContact O-N 3.44Å; G5-N8 PolarHBondContact O-N 3.17Å |
| 6 | V | 63.8 | Low | 74.8 | Confident | 122 Ų | 122 | 132.8 Ų | 132.8 | 74% | 0.739 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -26.9 | -173.5 | -171.3 | 0 | 0 | 0 | 0 | 113.4 | N8 | V6-N8 VanDerWaalsContact C-N 3.34Š|
| 7 | R | 67.5 | Low | 75.7 | Confident | 183 Ų | 183 | 130.5 Ų | 130.5 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -13.1 | 179.2 | -65.5 | 179.5 | 179.1 | 161.4 | -1.6 | 113.3 | R3 G5 A9 | R3-R7 WeakPolarHBondContact O-CB 3.49Å; G5-R7 VanDerWaalsContact C-N 3.33Å; G5-R7 PolarHBondContact O-N 3.44Å; R7-A9 PolarHBondContact O-N 3.32Å |
| 8 | N | 75.4 | Confident | 76.6 | Confident | 62 Ų | 62 | 127.5 Ų | 127.5 | 33% | 0.332 | 62% | 0.618 | S | S | . | * | trans | -74.7 | 120.2 | 179.6 | -173.6 | -12.2 | 0 | 0 | 0 | 109.6 | K4 G5 V6 R10 Y11 | K4-N8 VanDerWaalsContact O-CB 3.27Å; K4-N8 WeakPolarHBondContact O-CB 3.49Å; G5-N8 PolarHBondContact O-N 3.17Å; V6-N8 VanDerWaalsContact C-N 3.34Å; N8-R10 PolarHBondContact O-N 3.18Å; N8-R10 WeakPolarHBondContact OD1-CB 3.04Å; N8-R10 PolarHBondContact OD1-N 3.13Å; N8-Y11 HydrophobicContact CB-CD2 3.99Å; N8-Y11 HydrophobicContact CB-CE2 4.38Å; N8-Y11 PolarHBondContact O-N 3.39Å; N8-Y11 VanDerWaalsContact O-N 3.11Å | ||
| 9 | A | 80.9 | Confident | 77.4 | Confident | 49 Ų | 49 | 123.1 Ų | 123.1 | 41% | 0.405 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -54.4 | -26.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | R7 Y11 K12 N15 | R7-A9 PolarHBondContact O-N 3.32Å; A9-Y11 PolarHBondContact O-N 2.98Å; A9-K12 PolarHBondContact O-N 3.5Å; A9-N15 WeakPolarHBondContact O-CB 3.14Å; A9-N15 PolarHBondContact O-ND2 3.34Å |
| 10 | R | 81.4 | Confident | 78.1 | Confident | 182 Ų | 182 | 120.1 Ų | 120.1 | 69% | 0.687 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -62.4 | -34.8 | 179.1 | -172.9 | 177.5 | 179.7 | -179.6 | -0.4 | 114.4 | N8 | N8-R10 PolarHBondContact O-N 3.18Å; N8-R10 WeakPolarHBondContact OD1-CB 3.04Å; N8-R10 PolarHBondContact OD1-N 3.13Å |
| 11 | Y | 82.3 | Confident | 78.8 | Confident | 161 Ų | 161 | 117.7 Ų | 117.7 | 63% | 0.631 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -95.7 | 5.5 | -176.7 | -57.7 | -66 | 0 | 0 | 0 | 112.9 | N8 A9 | N8-Y11 HydrophobicContact CB-CD2 3.99Å; N8-Y11 HydrophobicContact CB-CE2 4.38Å; N8-Y11 PolarHBondContact O-N 3.39Å; N8-Y11 VanDerWaalsContact O-N 3.11Å; A9-Y11 PolarHBondContact O-N 2.98Å |
| 12 | K | 85.9 | Confident | 80.6 | Confident | 96 Ų | 96 | 109.9 Ų | 109.9 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -74.8 | 144.9 | 174.9 | -64.5 | -173.3 | 178.1 | -173 | 0 | 109.6 | A9 K14 N15 R16 | A9-K12 PolarHBondContact O-N 3.5Å; K12-K14 HydrophobicContact CB-CG 4.1Å; K12-K14 PolarHBondContact O-N 2.77Å; K12-K14 VanDerWaalsContact O-N 3.14Å; K12-N15 PolarHBondContact O-N 3.16Å; K12-R16 PolarHBondContact O-N 3.19Å |
| 13 | V | 88.7 | Confident | 82.2 | Confident | 132 Ų | 132 | 107 Ų | 107 | 80% | 0.8 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -51.1 | -41.4 | -178.8 | -179 | 0 | 0 | 0 | 0 | 112.4 | N15 R16 | V13-N15 PolarHBondContact O-N 3.3Å; V13-N15 VanDerWaalsContact O-N 3.16Å; V13-R16 WeakPolarHBondContact O-CB 3.05Å; V13-R16 PolarHBondContact O-N 3.11Å; V13-R16 VanDerWaalsContact O-N 3.14Å |
| 14 | K | 90.1 | Very high | 83.6 | Confident | 170 Ų | 170 | 98 Ų | 98 | 74% | 0.739 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -62.6 | -19.2 | 178.4 | 59 | 160.9 | -171.6 | 178.8 | 0 | 115.9 | K12 | K12-K14 HydrophobicContact CB-CG 4.1Å; K12-K14 PolarHBondContact O-N 2.77Å; K12-K14 VanDerWaalsContact O-N 3.14Å |
| 15 | N | 88 | Confident | 84.8 | Confident | 79 Ų | 79 | 91.4 Ų | 91.4 | 42% | 0.422 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -113.1 | 16.3 | -179.5 | -67.6 | 25.4 | 0 | 0 | 0 | 111.3 | A9 K12 V13 T17 | A9-N15 WeakPolarHBondContact O-CB 3.14Å; A9-N15 PolarHBondContact O-ND2 3.34Å; K12-N15 PolarHBondContact O-N 3.16Å; V13-N15 PolarHBondContact O-N 3.3Å; V13-N15 VanDerWaalsContact O-N 3.16Å; N15-T17 PolarHBondContact O-N 3.46Å |
| 16 | R | 89.8 | Confident | 86.1 | Confident | 169 Ų | 169 | 90.6 Ų | 90.6 | 64% | 0.638 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 132.5 | -177.5 | -175.6 | -178.6 | -177.5 | -174.4 | 9.6 | 110.1 | K12 V13 D19 | K12-R16 PolarHBondContact O-N 3.19Å; V13-R16 WeakPolarHBondContact O-CB 3.05Å; V13-R16 PolarHBondContact O-N 3.11Å; V13-R16 VanDerWaalsContact O-N 3.14Å; R16-D19 IonicContact CZ-OD1 3.75Å; R16-D19 IonicContact CZ-OD2 3.2Å; R16-D19 IonicContact NE-OD1 3.47Å; R16-D19 PolarHBondContact NE-OD1 3Å; R16-D19 IonicContact NE-OD2 3.5Å; R16-D19 PolarHBondContact NE-OD2 3.48Å; R16-D19 VanDerWaalsContact NH2-CG 3.25Å; R16-D19 IonicContact NH2-OD1 3.2Å; R16-D19 PolarHBondContact NH2-OD1 3Å; R16-D19 IonicContact NH2-OD2 2.62Å; R16-D19 PolarHBondContact NH2-OD2 3.13Å |
| 17 | T | 90.7 | Very high | 87.3 | Confident | 94 Ų | 94 | 85.1 Ų | 85.1 | 58% | 0.577 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -88.8 | 158.3 | 171 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | N15 D19 | N15-T17 PolarHBondContact O-N 3.46Å; T17-D19 PolarHBondContact O-N 3.44Å |
| 18 | R | 91.4 | Very high | 88.3 | Confident | 77 Ų | 77 | 82.2 Ų | 82.2 | 29% | 0.291 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 138.9 | 172.1 | -70.5 | -164.2 | 94.4 | 169 | 23.8 | 112.3 | Q22 I23 D26 D58 R79 | R18-Q22 VanDerWaalsContact NE-OE1 3.09Å; R18-I23 HydrophobicContact CB-CD1 4.38Å; R18-I23 HydrophobicContact CB-CG1 4.21Å; R18-D26 IonicContact CZ-OD2 3.82Å; R18-D26 IonicContact NH1-OD1 2.7Å; R18-D26 IonicContact NH1-OD2 3.56Å; R18-D26 PolarHBondContact NH1-OD2 3.12Å; R18-D58 HydrophobicContact CB-CB 4.31Å; R18-D58 WeakPolarHBondContact CD-OD2 3.07Å; R18-D58 HydrophobicContact CG-CB 4.41Å; R18-D58 WeakPolarHBondContact CG-OD2 3.29Å; R18-R79 PolarHBondContact O-NH2 3.01Å |
| 19 | D | 92.4 | Very high | 88.6 | Confident | 44 Ų | 44 | 86.4 Ų | 86.4 | 24% | 0.235 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 166.7 | -177.6 | -57 | -57 | 0 | 0 | 0 | 111.3 | R16 T17 D21 Q22 I23 R79 | R16-D19 IonicContact CZ-OD1 3.75Å; R16-D19 IonicContact CZ-OD2 3.2Å; R16-D19 IonicContact NE-OD1 3.47Å; R16-D19 PolarHBondContact NE-OD1 3Å; R16-D19 IonicContact NE-OD2 3.5Å; R16-D19 PolarHBondContact NE-OD2 3.48Å; R16-D19 VanDerWaalsContact NH2-CG 3.25Å; R16-D19 IonicContact NH2-OD1 3.2Å; R16-D19 PolarHBondContact NH2-OD1 3Å; R16-D19 IonicContact NH2-OD2 2.62Å; R16-D19 PolarHBondContact NH2-OD2 3.13Å; T17-D19 PolarHBondContact O-N 3.44Å; D19-D21 WeakPolarHBondContact CB-OD1 3.38Å; D19-Q22 HydrophobicContact CB-CG 4.43Å; D19-Q22 PolarHBondContact OD2-NE2 3.26Å; D19-I23 WeakPolarHBondContact O-CG1 3.39Å; D19-I23 PolarHBondContact O-N 3.35Å; D19-R79 PolarHBondContact O-NH2 3.31Å |
| 20 | I | 91.7 | Very high | 88.9 | Confident | 63 Ų | 63 | 91.5 Ų | 91.5 | 32% | 0.323 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -70.5 | -41.4 | -174.1 | -67.4 | 166.6 | 0 | 0 | 0 | 111.2 | I23 S24 L83 | I20-I23 PolarHBondContact O-N 3.39Å; I20-S24 WeakPolarHBondContact O-CB 3.46Å; I20-S24 PolarHBondContact O-N 2.95Å; I20-L83 HydrophobicContact CG2-CD2 3.94Å |
| 21 | D | 91.3 | Very high | 89.2 | Confident | 70 Ų | 70 | 85.3 Ų | 85.3 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 176.4 | 59.8 | -29.3 | 0 | 0 | 0 | 112.3 | D19 S24 S25 P87 | D19-D21 WeakPolarHBondContact CB-OD1 3.38Å; D21-S24 WeakPolarHBondContact CA-OG 3.49Å; D21-S24 PolarHBondContact O-N 3Å; D21-S24 PolarHBondContact O-OG 3.43Å; D21-S25 PolarHBondContact O-N 3.37Å; D21-S25 PolarHBondContact O-OG 2.79Å; D21-P87 HydrophobicContact CB-CB 4.01Å |
| 22 | Q | 92.5 | Very high | 89.5 | Confident | 69 Ų | 69 | 79.7 Ų | 79.7 | 32% | 0.322 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.2 | -49.8 | 173.8 | -65.9 | -177.1 | 13.4 | 0 | 0 | 111.3 | R18 D19 S24 S25 D26 | R18-Q22 VanDerWaalsContact NE-OE1 3.09Å; D19-Q22 HydrophobicContact CB-CG 4.43Å; D19-Q22 PolarHBondContact OD2-NE2 3.26Å; Q22-S24 VanDerWaalsContact C-N 3.31Å; Q22-S24 PolarHBondContact O-N 3.29Å; Q22-S25 WeakPolarHBondContact O-CB 3.36Å; Q22-S25 PolarHBondContact O-N 3.01Å; Q22-S25 VanDerWaalsContact O-N 3.1Å; Q22-D26 PolarHBondContact O-N 3.49Å |
| 23 | I | 92.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 178.6 | -64 | -173.5 | 0 | 0 | 0 | 111 | R18 D19 I20 S25 D26 L27 F56 D58 L83 | R18-I23 HydrophobicContact CB-CD1 4.38Å; R18-I23 HydrophobicContact CB-CG1 4.21Å; D19-I23 WeakPolarHBondContact O-CG1 3.39Å; D19-I23 PolarHBondContact O-N 3.35Å; I20-I23 PolarHBondContact O-N 3.39Å; I23-S25 PolarHBondContact O-N 2.83Å; I23-D26 WeakPolarHBondContact O-CB 3.45Å; I23-D26 PolarHBondContact O-N 3.21Å; I23-L27 HydrophobicContact CG2-CD1 4.01Å; I23-L27 HydrophobicContact CG2-CG 4.28Å; I23-L27 VanDerWaalsContact O-CG 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.44Å; I23-L27 PolarHBondContact O-N 3.41Å; I23-F56 WeakPolarHBondContact CD1-O 3.44Å; I23-D58 HydrophobicContact CD1-CB 4.23Å; I23-L83 HydrophobicContact CB-CD2 4.32Å; I23-L83 HydrophobicContact CG2-CD1 4.05Å; I23-L83 HydrophobicContact CG2-CD2 3.98Å |
| 24 | S | 91 | Very high | 89.6 | Confident | 12 Ų | 12 | 78.6 Ų | 78.6 | 8% | 0.084 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.3 | -31.6 | 176.6 | 76.8 | 0 | 0 | 0 | 0 | 112.5 | I20 D21 Q22 P87 | I20-S24 WeakPolarHBondContact O-CB 3.46Å; I20-S24 PolarHBondContact O-N 2.95Å; D21-S24 WeakPolarHBondContact CA-OG 3.49Å; D21-S24 PolarHBondContact O-N 3Å; D21-S24 PolarHBondContact O-OG 3.43Å; Q22-S24 VanDerWaalsContact C-N 3.31Å; Q22-S24 PolarHBondContact O-N 3.29Å; S24-P87 WeakPolarHBondContact OG-CG 3.27Å |
| 25 | S | 90.9 | Very high | 89.5 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 32% | 0.315 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -74.6 | -37.2 | 176.1 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | D21 Q22 I23 L27 K28 N31 | D21-S25 PolarHBondContact O-N 3.37Å; D21-S25 PolarHBondContact O-OG 2.79Å; Q22-S25 WeakPolarHBondContact O-CB 3.36Å; Q22-S25 PolarHBondContact O-N 3.01Å; Q22-S25 VanDerWaalsContact O-N 3.1Å; I23-S25 PolarHBondContact O-N 2.83Å; S25-L27 VanDerWaalsContact C-N 3.3Å; S25-K28 PolarHBondContact O-N 3.43Å; S25-N31 PolarHBondContact O-ND2 3.27Å |
| 26 | D | 90.9 | Very high | 89.5 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 12% | 0.123 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66 | -32.7 | 174.3 | -65.9 | -22.6 | 0 | 0 | 0 | 112 | R18 Q22 I23 K28 N31 F32 R35 | R18-D26 IonicContact CZ-OD2 3.82Å; R18-D26 IonicContact NH1-OD1 2.7Å; R18-D26 IonicContact NH1-OD2 3.56Å; R18-D26 PolarHBondContact NH1-OD2 3.12Å; Q22-D26 PolarHBondContact O-N 3.49Å; I23-D26 WeakPolarHBondContact O-CB 3.45Å; I23-D26 PolarHBondContact O-N 3.21Å; D26-K28 PolarHBondContact O-N 2.83Å; D26-N31 CarbonylContact O-C 3.48Å; D26-F32 VanDerWaalsContact O-CA 3.24Å; D26-F32 WeakPolarHBondContact O-CA 3.31Å; D26-F32 PolarHBondContact O-N 2.95Å; D26-R35 HydrophobicContact CB-CB 4.43Å; D26-R35 HydrophobicContact CB-CG 4.14Å; D26-R35 IonicContact OD2-NE 2.79Å |
| 27 | L | 88.6 | Confident | 89.4 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -7.5 | -179.6 | -71.4 | 173 | 0 | 0 | 0 | 114.2 | I23 S25 F32 I55 F56 L83 I113 L117 | I23-L27 HydrophobicContact CG2-CD1 4.01Å; I23-L27 HydrophobicContact CG2-CG 4.28Å; I23-L27 VanDerWaalsContact O-CG 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.44Å; I23-L27 PolarHBondContact O-N 3.41Å; S25-L27 VanDerWaalsContact C-N 3.3Å; L27-F32 HydrophobicContact CD2-CD2 4.3Å; L27-F32 HydrophobicContact CD2-CE2 4.33Å; L27-I55 HydrophobicContact CD2-CG2 3.77Å; L27-F56 HydrophobicContact CD1-CD1 3.87Å; L27-F56 HydrophobicContact CD1-CE1 3.99Å; L27-F56 HydrophobicContact CD2-CD1 3.97Å; L27-F56 HydrophobicContact CD2-CE1 3.67Å; L27-F56 HydrophobicContact CD2-CZ 4.43Å; L27-L83 HydrophobicContact CD1-CD1 4.01Å; L27-L83 HydrophobicContact CD1-CD2 4.29Å; L27-I113 HydrophobicContact CD1-CG1 4.48Å; L27-L117 VanDerWaalsContact O-CD1 3.28Å; L27-L117 WeakPolarHBondContact O-CD1 3.47Å |
| 28 | K | 87.2 | Confident | 89.2 | Confident | 121 Ų | 121 | 65.9 Ų | 65.9 | 53% | 0.526 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -67.4 | 141.3 | 171.8 | -63.8 | 175.7 | -177.7 | 172.1 | 0 | 109.3 | S25 D26 E30 N31 F32 | S25-K28 PolarHBondContact O-N 3.43Å; D26-K28 PolarHBondContact O-N 2.83Å; K28-E30 PolarHBondContact O-N 3.32Å; K28-E30 VanDerWaalsContact O-N 3.07Å; K28-N31 PolarHBondContact O-N 2.68Å; K28-F32 PolarHBondContact O-N 3.21Å |
| 29 | E | 83.5 | Confident | 88.9 | Confident | 151 Ų | 151 | 62.2 Ų | 62.2 | 71% | 0.706 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -50.7 | -39.3 | -174.7 | -66.2 | 173.3 | -170.7 | 0 | 0 | 113.2 | N31 | E29-N31 VanDerWaalsContact C-N 3.3Å; E29-N31 PolarHBondContact O-N 3.35Å |
| 30 | E | 86.9 | Confident | 88.6 | Confident | 155 Ų | 155 | 62.6 Ų | 62.6 | 72% | 0.724 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.3 | -31.4 | 179.4 | -58.9 | 176.7 | 174.7 | 0 | 0 | 114.1 | K28 | K28-E30 PolarHBondContact O-N 3.32Å; K28-E30 VanDerWaalsContact O-N 3.07Å |
| 31 | N | 87.8 | Confident | 88.4 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -103.9 | -24.2 | -174 | -65.6 | -28.7 | 0 | 0 | 0 | 112.2 | S25 D26 K28 E29 A33 K34 R35 | S25-N31 PolarHBondContact O-ND2 3.27Å; D26-N31 CarbonylContact O-C 3.48Å; K28-N31 PolarHBondContact O-N 2.68Å; E29-N31 VanDerWaalsContact C-N 3.3Å; E29-N31 PolarHBondContact O-N 3.35Å; N31-A33 PolarHBondContact O-N 3.12Å; N31-K34 PolarHBondContact O-N 2.98Å; N31-R35 WeakPolarHBondContact O-CB 3.22Å; N31-R35 PolarHBondContact O-N 2.89Å |
| 32 | F | 87 | Confident | 88.2 | Confident | 42 Ų | 42 | 67.6 Ų | 67.6 | 18% | 0.184 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.6 | -51.5 | -174.4 | -176.9 | -94.3 | 0 | 0 | 0 | 111.9 | D26 L27 K28 K34 R35 V36 I55 L117 | D26-F32 VanDerWaalsContact O-CA 3.24Å; D26-F32 WeakPolarHBondContact O-CA 3.31Å; D26-F32 PolarHBondContact O-N 2.95Å; L27-F32 HydrophobicContact CD2-CD2 4.3Å; L27-F32 HydrophobicContact CD2-CE2 4.33Å; K28-F32 PolarHBondContact O-N 3.21Å; F32-K34 VanDerWaalsContact C-N 3.33Å; F32-K34 PolarHBondContact O-N 3.29Å; F32-R35 PolarHBondContact O-N 3.39Å; F32-V36 HydrophobicContact CD1-CG2 4.29Å; F32-V36 HydrophobicContact CE1-CG2 3.96Å; F32-V36 HydrophobicContact CE2-CG2 4.45Å; F32-V36 HydrophobicContact CZ-CG2 4.05Å; F32-V36 VanDerWaalsContact O-CG2 3.31Å; F32-V36 WeakPolarHBondContact O-CG2 3.24Å; F32-V36 PolarHBondContact O-N 3.17Å; F32-I55 HydrophobicContact CD2-CD1 4.1Å; F32-I55 HydrophobicContact CE1-CD1 4.4Å; F32-I55 HydrophobicContact CE2-CD1 3.2Å; F32-I55 HydrophobicContact CE2-CG1 4.49Å; F32-I55 HydrophobicContact CE2-CG2 4.47Å; F32-I55 HydrophobicContact CZ-CD1 3.38Å; F32-L117 HydrophobicContact CD1-CD2 4Å; F32-L117 HydrophobicContact CD2-CD2 3.6Å; F32-L117 HydrophobicContact CE1-CD2 4Å; F32-L117 HydrophobicContact CE2-CD2 3.56Å; F32-L117 HydrophobicContact CG-CD2 3.8Å; F32-L117 HydrophobicContact CZ-CD2 3.78Å |
| 33 | A | 87.8 | Confident | 88.1 | Confident | 68 Ų | 68 | 66.7 Ų | 66.7 | 56% | 0.562 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.5 | -42.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | N31 V36 S37 | N31-A33 PolarHBondContact O-N 3.12Å; A33-V36 PolarHBondContact O-N 3.2Å; A33-S37 PolarHBondContact O-N 2.9Å; A33-S37 PolarHBondContact O-OG 3.25Å |
| 34 | K | 89.4 | Confident | 88 | Confident | 137 Ų | 137 | 75.5 Ų | 75.5 | 60% | 0.596 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.5 | -43.5 | 178.9 | -61.8 | 176.1 | -175.9 | 167.9 | 0 | 111.7 | N31 F32 V36 S37 E38 | N31-K34 PolarHBondContact O-N 2.98Å; F32-K34 VanDerWaalsContact C-N 3.33Å; F32-K34 PolarHBondContact O-N 3.29Å; K34-V36 VanDerWaalsContact C-N 3.34Å; K34-S37 WeakPolarHBondContact CA-OG 3.13Å; K34-S37 PolarHBondContact O-N 3.39Å; K34-S37 PolarHBondContact O-OG 2.92Å; K34-E38 WeakPolarHBondContact O-CB 3.26Å; K34-E38 PolarHBondContact O-N 3.35Å |
| 35 | R | 87.6 | Confident | 88.1 | Confident | 23 Ų | 23 | 82.4 Ų | 82.4 | 9% | 0.087 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.1 | -39.3 | -179.5 | -174.9 | 67.2 | -168.5 | 93.8 | 3.3 | 111.2 | D26 N31 F32 A39 D58 | D26-R35 HydrophobicContact CB-CB 4.43Å; D26-R35 HydrophobicContact CB-CG 4.14Å; D26-R35 IonicContact OD2-NE 2.79Å; N31-R35 WeakPolarHBondContact O-CB 3.22Å; N31-R35 PolarHBondContact O-N 2.89Å; F32-R35 PolarHBondContact O-N 3.39Å; R35-A39 VanDerWaalsContact O-CB 3.27Å; R35-A39 WeakPolarHBondContact O-CB 3.1Å; R35-A39 PolarHBondContact O-N 3.14Å; R35-D58 IonicContact CZ-OD1 3.89Å; R35-D58 IonicContact NH2-OD1 2.77Å; R35-D58 PolarHBondContact NH2-OD1 3.2Å |
| 36 | V | 88.2 | Confident | 88 | Confident | 36 Ų | 36 | 82.8 Ų | 82.8 | 22% | 0.218 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66 | -46 | 175.9 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | F32 A33 K34 E38 A39 T40 I55 | F32-V36 HydrophobicContact CD1-CG2 4.29Å; F32-V36 HydrophobicContact CE1-CG2 3.96Å; F32-V36 HydrophobicContact CE2-CG2 4.45Å; F32-V36 HydrophobicContact CZ-CG2 4.05Å; F32-V36 VanDerWaalsContact O-CG2 3.31Å; F32-V36 WeakPolarHBondContact O-CG2 3.24Å; F32-V36 PolarHBondContact O-N 3.17Å; A33-V36 PolarHBondContact O-N 3.2Å; K34-V36 VanDerWaalsContact C-N 3.34Å; V36-E38 PolarHBondContact O-N 3.47Å; V36-A39 PolarHBondContact O-N 3.16Å; V36-T40 WeakPolarHBondContact O-CB 3.36Å; V36-T40 PolarHBondContact O-N 2.7Å; V36-T40 PolarHBondContact O-OG1 3.39Å; V36-T40 VanDerWaalsContact O-OG1 3.13Å; V36-I55 HydrophobicContact CG2-CD1 3.34Å; V36-I55 HydrophobicContact CG2-CG1 4.12Å |
| 37 | S | 87.5 | Confident | 88 | Confident | 67 Ų | 67 | 84.5 Ų | 84.5 | 47% | 0.469 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 178.2 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | A33 K34 A39 T40 E41 | A33-S37 PolarHBondContact O-N 2.9Å; A33-S37 PolarHBondContact O-OG 3.25Å; K34-S37 WeakPolarHBondContact CA-OG 3.13Å; K34-S37 PolarHBondContact O-N 3.39Å; K34-S37 PolarHBondContact O-OG 2.92Å; S37-A39 VanDerWaalsContact C-N 3.32Å; S37-A39 PolarHBondContact O-N 3.14Å; S37-T40 PolarHBondContact O-N 3.32Å; S37-E41 WeakPolarHBondContact O-CG 3.43Å; S37-E41 PolarHBondContact O-N 2.88Å; S37-E41 VanDerWaalsContact O-N 3.11Å |
| 38 | E | 87.8 | Confident | 88.1 | Confident | 119 Ų | 119 | 85.3 Ų | 85.3 | 56% | 0.556 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.4 | -35.5 | 178.6 | -174.2 | -170.9 | 170.8 | 0 | 0 | 112.7 | K34 V36 | K34-E38 WeakPolarHBondContact O-CB 3.26Å; K34-E38 PolarHBondContact O-N 3.35Å; V36-E38 PolarHBondContact O-N 3.47Å |
| 39 | A | 84.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -71.8 | -34.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R35 V36 S37 F53 Y60 | R35-A39 VanDerWaalsContact O-CB 3.27Å; R35-A39 WeakPolarHBondContact O-CB 3.1Å; R35-A39 PolarHBondContact O-N 3.14Å; V36-A39 PolarHBondContact O-N 3.16Å; S37-A39 VanDerWaalsContact C-N 3.32Å; S37-A39 PolarHBondContact O-N 3.14Å; A39-F53 HydrophobicContact CB-CB 4.42Å; A39-F53 HydrophobicContact CB-CD1 3.52Å; A39-F53 HydrophobicContact CB-CD2 4.37Å; A39-F53 HydrophobicContact CB-CE1 3.73Å; A39-F53 HydrophobicContact CB-CG 3.86Å; A39-F53 HydrophobicContact CB-CZ 4.27Å; A39-Y60 HydrophobicContact CB-CE1 4.34Å |
| 40 | T | 86 | Confident | 88.4 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -93.6 | -2.6 | -173 | -58.1 | 0 | 0 | 0 | 0 | 113.1 | V36 S37 | V36-T40 WeakPolarHBondContact O-CB 3.36Å; V36-T40 PolarHBondContact O-N 2.7Å; V36-T40 PolarHBondContact O-OG1 3.39Å; V36-T40 VanDerWaalsContact O-OG1 3.13Å; S37-T40 PolarHBondContact O-N 3.32Å |
| 41 | E | 87.8 | Confident | 88.5 | Confident | 126 Ų | 126 | 72 Ų | 72 | 59% | 0.589 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -57.2 | 130.9 | 167.4 | -81.9 | 178.7 | -177 | 0 | 0 | 110.6 | S37 D43 | S37-E41 WeakPolarHBondContact O-CG 3.43Å; S37-E41 PolarHBondContact O-N 2.88Å; S37-E41 VanDerWaalsContact O-N 3.11Å; E41-D43 PolarHBondContact O-N 2.89Å; E41-D43 VanDerWaalsContact O-N 3.16Å |
| 42 | P | 86.7 | Confident | 88.7 | Confident | 111 Ų | 111 | 71.5 Ų | 71.5 | 72% | 0.721 | 38% | 0.384 | S | S | * | . | trans | -65.4 | 117.3 | -175.5 | 26.6 | -33.6 | 0 | 0 | 0 | 110.2 | L49 | P42-L49 WeakPolarHBondContact CA-O 3.47Š| ||
| 43 | D | 90.4 | Very high | 89 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 27% | 0.273 | 38% | 0.381 | S | S | . | . | trans | -135.9 | 123.2 | -174 | -175.4 | -10.6 | 0 | 0 | 0 | 109.3 | E41 D45 K46 | E41-D43 PolarHBondContact O-N 2.89Å; E41-D43 VanDerWaalsContact O-N 3.16Å; D43-D45 VanDerWaalsContact C-N 3.25Å; D43-D45 PolarHBondContact O-N 3.03Å; D43-D45 PolarHBondContact OD1-N 3.48Å; D43-D45 VanDerWaalsContact OD1-N 3.13Å; D43-K46 HydrophobicContact CB-CB 4.48Å; D43-K46 HydrophobicContact CB-CD 3.95Å; D43-K46 HydrophobicContact CB-CG 4.2Å; D43-K46 PolarHBondContact O-N 3.4Å; D43-K46 WeakPolarHBondContact OD2-CE 3.4Å; D43-K46 IonicContact OD2-NZ 3.75Å; D43-K46 PolarHBondContact OD2-NZ 2.88Å | ||
| 44 | E | 90.3 | Very high | 89.2 | Confident | 186 Ų | 186 | 67.7 Ų | 67.7 | 87% | 0.869 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.7 | -175.2 | -60.2 | -174.2 | 157.1 | 0 | 0 | 112.7 | K46 | E44-K46 VanDerWaalsContact C-N 3.3Å; E44-K46 PolarHBondContact O-N 3.1Å |
| 45 | D | 92.1 | Very high | 89.3 | Confident | 156 Ų | 156 | 62.3 Ų | 62.3 | 83% | 0.834 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -14.6 | -179.9 | -71.9 | -38.6 | 0 | 0 | 0 | 112.6 | D43 | D43-D45 VanDerWaalsContact C-N 3.25Å; D43-D45 PolarHBondContact O-N 3.03Å; D43-D45 PolarHBondContact OD1-N 3.48Å; D43-D45 VanDerWaalsContact OD1-N 3.13Å |
| 46 | K | 89.7 | Confident | 89.5 | Confident | 53 Ų | 53 | 62.8 Ų | 62.8 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -99.7 | 142.6 | -176.6 | -64.5 | 176.7 | -171.6 | 134.8 | 0 | 111.2 | D43 E44 G48 L49 Y60 | D43-K46 HydrophobicContact CB-CB 4.48Å; D43-K46 HydrophobicContact CB-CD 3.95Å; D43-K46 HydrophobicContact CB-CG 4.2Å; D43-K46 PolarHBondContact O-N 3.4Å; D43-K46 WeakPolarHBondContact OD2-CE 3.4Å; D43-K46 IonicContact OD2-NZ 3.75Å; D43-K46 PolarHBondContact OD2-NZ 2.88Å; E44-K46 VanDerWaalsContact C-N 3.3Å; E44-K46 PolarHBondContact O-N 3.1Å; K46-G48 PolarHBondContact O-N 3.49Å; K46-L49 PolarHBondContact O-N 3.23Å; K46-Y60 HydrophobicContact CD-CD1 4.29Å; K46-Y60 HydrophobicContact CD-CE1 3.79Å; K46-Y60 HydrophobicContact CD-CE2 4.22Å |
| 47 | P | 91.8 | Very high | 89.7 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 38% | 0.383 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -64.6 | 140.1 | 175.4 | 29.2 | -33.5 | 0 | 0 | 0 | 110 | L49 G50 Y60 F61 I62 | P47-L49 VanDerWaalsContact C-N 3.26Å; P47-L49 PolarHBondContact O-N 2.99Å; P47-G50 PolarHBondContact O-N 3.48Å; P47-Y60 VanDerWaalsContact CG-CB 3.47Å; P47-F61 CarbonylContact C-O 3.59Å; P47-I62 HydrophobicContact CB-CG1 4.11Å |
| 48 | G | 89.5 | Confident | 89.9 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 25% | 0.247 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | 65.1 | 25.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | K46 G50 Q51 | K46-G48 PolarHBondContact O-N 3.49Å; G48-G50 PolarHBondContact O-N 2.94Å; G48-G50 VanDerWaalsContact O-N 3.12Å; G48-Q51 WeakPolarHBondContact O-CB 3.42Å; G48-Q51 WeakPolarHBondContact O-CG 3.5Å; G48-Q51 PolarHBondContact O-N 3.4Å |
| 49 | L | 89.9 | Confident | 90.1 | Very high | 84 Ų | 84 | 59.9 Ų | 59.9 | 44% | 0.44 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | 54.1 | 30.4 | -177.5 | -58.2 | 172.9 | 0 | 0 | 0 | 113.1 | P42 K46 P47 Q51 | P42-L49 WeakPolarHBondContact CA-O 3.47Å; K46-L49 PolarHBondContact O-N 3.23Å; P47-L49 VanDerWaalsContact C-N 3.26Å; P47-L49 PolarHBondContact O-N 2.99Å; L49-Q51 HydrophobicContact CB-CG 4.46Å; L49-Q51 PolarHBondContact O-N 3.16Å |
| 50 | G | 88.1 | Confident | 90.5 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | 75 | -3.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | P47 G48 F52 | P47-G50 PolarHBondContact O-N 3.48Å; G48-G50 PolarHBondContact O-N 2.94Å; G48-G50 VanDerWaalsContact O-N 3.12Å; G50-F52 PolarHBondContact O-N 2.93Å |
| 51 | Q | 88.6 | Confident | 91 | Very high | 63 Ų | 63 | 61.9 Ų | 61.9 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | trans | -69.3 | -38.8 | -172.4 | -61.3 | 179.6 | 6.4 | 0 | 0 | 113 | G48 L49 F53 I125 | G48-Q51 WeakPolarHBondContact O-CB 3.42Å; G48-Q51 WeakPolarHBondContact O-CG 3.5Å; G48-Q51 PolarHBondContact O-N 3.4Å; L49-Q51 HydrophobicContact CB-CG 4.46Å; L49-Q51 PolarHBondContact O-N 3.16Å; Q51-F53 PolarHBondContact O-N 3.36Å; Q51-I125 HydrophobicContact CG-CD1 4.49Å | ||
| 52 | F | 92.2 | Very high | 91.2 | Very high | 43 Ų | 43 | 61.2 Ų | 61.2 | 19% | 0.189 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 80.7 | -175.5 | -54.1 | -66.3 | 0 | 0 | 0 | 111.6 | G50 Y60 F61 I62 Q64 L67 | G50-F52 PolarHBondContact O-N 2.93Å; F52-Y60 CarbonylContact O-C 3.53Å; F52-Y60 WeakPolarHBondContact O-CA 2.97Å; F52-F61 HydrophobicContact CB-CB 3.96Å; F52-F61 PolarHBondContact O-N 3.32Å; F52-I62 WeakPolarHBondContact CD2-O 3.36Å; F52-I62 WeakPolarHBondContact CE2-O 3.4Å; F52-Q64 HydrophobicContact CD1-CB 4.07Å; F52-Q64 VanDerWaalsContact CD1-OE1 3.29Å; F52-Q64 HydrophobicContact CE1-CB 3.64Å; F52-Q64 HydrophobicContact CZ-CB 4.34Å; F52-L67 HydrophobicContact CB-CD1 3.95Å |
| 53 | F | 92.6 | Very high | 91.5 | Very high | 25 Ų | 25 | 59.9 Ų | 59.9 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 141.2 | -175.6 | 179.2 | -115 | 0 | 0 | 0 | 113.7 | A39 Q51 I55 D58 K59 Y60 | A39-F53 HydrophobicContact CB-CB 4.42Å; A39-F53 HydrophobicContact CB-CD1 3.52Å; A39-F53 HydrophobicContact CB-CD2 4.37Å; A39-F53 HydrophobicContact CB-CE1 3.73Å; A39-F53 HydrophobicContact CB-CG 3.86Å; A39-F53 HydrophobicContact CB-CZ 4.27Å; Q51-F53 PolarHBondContact O-N 3.36Å; F53-I55 HydrophobicContact CD1-CG1 3.82Å; F53-I55 HydrophobicContact CE1-CB 4.11Å; F53-I55 HydrophobicContact CE1-CG1 3.61Å; F53-D58 WeakPolarHBondContact CE2-OD1 3.35Å; F53-D58 VanDerWaalsContact CZ-OD1 3.26Å; F53-D58 WeakPolarHBondContact CZ-OD1 3.28Å; F53-K59 WeakPolarHBondContact CD2-O 3.5Å; F53-Y60 HydrophobicContact CB-CD1 4.12Å; F53-Y60 HydrophobicContact CB-CE1 4.2Å; F53-Y60 AromaticContact CD2-CD1 3.64Å; F53-Y60 HydrophobicContact CD2-CD1 3.64Å; F53-Y60 HydrophobicContact CD2-CD2 4.4Å; F53-Y60 AromaticContact CD2-CE1 3.44Å; F53-Y60 HydrophobicContact CD2-CE1 3.44Å; F53-Y60 VanDerWaalsContact CD2-CE1 3.44Å; F53-Y60 HydrophobicContact CD2-CE2 4.24Å; F53-Y60 HydrophobicContact CD2-CG 4.12Å; F53-Y60 AromaticContact CD2-CZ 3.77Å; F53-Y60 HydrophobicContact CE2-CE1 4.07Å; F53-Y60 HydrophobicContact CE2-CE2 4.22Å; F53-Y60 AromaticContact CE2-CZ 3.91Å; F53-Y60 HydrophobicContact CG-CD1 4.27Å; F53-Y60 HydrophobicContact CG-CE1 4.04Å |
| 54 | C | 92.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.034 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 111.2 | 169.8 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | F56 C57 D58 K59 F61 H76 | C54-F56 PolarHBondContact O-N 3.07Å; C54-C57 PolarHBondContact O-N 3.42Å; C54-D58 WeakPolarHBondContact O-CA 3.32Å; C54-D58 PolarHBondContact O-N 3.04Å; C54-K59 PolarHBondContact N-O 3.37Å; C54-K59 PolarHBondContact O-N 2.92Å; C54-F61 HydrophobicContact CB-CE2 3.95Å; C54-H76 VanDerWaalsContact SG-CE1 3.52Å |
| 55 | I | 91.5 | Very high | 91.9 | Very high | 24 Ų | 24 | 58.6 Ų | 58.6 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -44 | -176.7 | -55.6 | 162.8 | 0 | 0 | 0 | 111.8 | L27 F32 V36 F53 C57 D58 | L27-I55 HydrophobicContact CD2-CG2 3.77Å; F32-I55 HydrophobicContact CD2-CD1 4.1Å; F32-I55 HydrophobicContact CE1-CD1 4.4Å; F32-I55 HydrophobicContact CE2-CD1 3.2Å; F32-I55 HydrophobicContact CE2-CG1 4.49Å; F32-I55 HydrophobicContact CE2-CG2 4.47Å; F32-I55 HydrophobicContact CZ-CD1 3.38Å; V36-I55 HydrophobicContact CG2-CD1 3.34Å; V36-I55 HydrophobicContact CG2-CG1 4.12Å; F53-I55 HydrophobicContact CD1-CG1 3.82Å; F53-I55 HydrophobicContact CE1-CB 4.11Å; F53-I55 HydrophobicContact CE1-CG1 3.61Å; I55-C57 PolarHBondContact O-N 3.36Å; I55-D58 PolarHBondContact O-N 3.45Å |
| 56 | F | 91.4 | Very high | 92 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -30.8 | -176.9 | -55.9 | -72.4 | 0 | 0 | 0 | 113.8 | I23 L27 C54 H76 R79 L80 L83 | I23-F56 WeakPolarHBondContact CD1-O 3.44Å; L27-F56 HydrophobicContact CD1-CD1 3.87Å; L27-F56 HydrophobicContact CD1-CE1 3.99Å; L27-F56 HydrophobicContact CD2-CD1 3.97Å; L27-F56 HydrophobicContact CD2-CE1 3.67Å; L27-F56 HydrophobicContact CD2-CZ 4.43Å; C54-F56 PolarHBondContact O-N 3.07Å; F56-H76 AromaticContact CD2-CE1 3.81Å; F56-R79 WeakPolarHBondContact O-CG 3.5Å; F56-R79 PolarHBondContact O-NE 3.11Å; F56-L80 HydrophobicContact CB-CD2 4.2Å; F56-L80 HydrophobicContact CD1-CD2 3.64Å; F56-L80 HydrophobicContact CD2-CD2 3.98Å; F56-L80 HydrophobicContact CE1-CD2 3.94Å; F56-L80 HydrophobicContact CE2-CD2 4.24Å; F56-L80 HydrophobicContact CG-CD2 3.66Å; F56-L80 HydrophobicContact CZ-CD2 4.23Å; F56-L83 HydrophobicContact CB-CD1 4.12Å; F56-L83 HydrophobicContact CD1-CD1 3.9Å |
| 57 | C | 91.9 | Very high | 92.2 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -10 | -176.4 | -71.6 | 0 | 0 | 0 | 0 | 113.4 | C54 I55 K59 H70 | C54-C57 PolarHBondContact O-N 3.42Å; I55-C57 PolarHBondContact O-N 3.36Å; C57-K59 HydrophobicContact CB-CB 4.48Å; C57-K59 HydrophobicContact CB-CD 4.36Å; C57-K59 HydrophobicContact CB-CG 4.29Å; C57-H70 VanDerWaalsContact SG-CE1 3.59Å; C57-H70 PolarHBondContact SG-NE2 2.83Å; C57-H70 VanDerWaalsContact SG-NE2 3.42Å |
| 58 | D | 92.8 | Very high | 92.3 | Very high | 40 Ų | 40 | 51.6 Ų | 51.6 | 21% | 0.214 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 56.9 | -170.9 | -165.2 | 52.6 | 0 | 0 | 0 | 111.8 | R18 I23 R35 F53 C54 I55 | R18-D58 HydrophobicContact CB-CB 4.31Å; R18-D58 WeakPolarHBondContact CD-OD2 3.07Å; R18-D58 HydrophobicContact CG-CB 4.41Å; R18-D58 WeakPolarHBondContact CG-OD2 3.29Å; I23-D58 HydrophobicContact CD1-CB 4.23Å; R35-D58 IonicContact CZ-OD1 3.89Å; R35-D58 IonicContact NH2-OD1 2.77Å; R35-D58 PolarHBondContact NH2-OD1 3.2Å; F53-D58 WeakPolarHBondContact CE2-OD1 3.35Å; F53-D58 VanDerWaalsContact CZ-OD1 3.26Å; F53-D58 WeakPolarHBondContact CZ-OD1 3.28Å; C54-D58 WeakPolarHBondContact O-CA 3.32Å; C54-D58 PolarHBondContact O-N 3.04Å; I55-D58 PolarHBondContact O-N 3.45Å |
| 59 | K | 92.2 | Very high | 92.6 | Very high | 99 Ų | 99 | 54.9 Ų | 54.9 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 137 | -177.1 | -72.8 | -175.6 | -174.2 | -55.9 | 0 | 111.7 | F53 C54 C57 F61 | F53-K59 WeakPolarHBondContact CD2-O 3.5Å; C54-K59 PolarHBondContact N-O 3.37Å; C54-K59 PolarHBondContact O-N 2.92Å; C57-K59 HydrophobicContact CB-CB 4.48Å; C57-K59 HydrophobicContact CB-CD 4.36Å; C57-K59 HydrophobicContact CB-CG 4.29Å; K59-F61 HydrophobicContact CB-CE2 3.99Å; K59-F61 HydrophobicContact CB-CZ 4.08Å |
| 60 | Y | 93.8 | Very high | 92.8 | Very high | 60 Ų | 60 | 52 Ų | 52 | 24% | 0.235 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 146 | 172.4 | -57.1 | -85.6 | 0 | 0 | 0 | 110.4 | A39 K46 P47 F52 F53 | A39-Y60 HydrophobicContact CB-CE1 4.34Å; K46-Y60 HydrophobicContact CD-CD1 4.29Å; K46-Y60 HydrophobicContact CD-CE1 3.79Å; K46-Y60 HydrophobicContact CD-CE2 4.22Å; P47-Y60 VanDerWaalsContact CG-CB 3.47Å; F52-Y60 CarbonylContact O-C 3.53Å; F52-Y60 WeakPolarHBondContact O-CA 2.97Å; F53-Y60 HydrophobicContact CB-CD1 4.12Å; F53-Y60 HydrophobicContact CB-CE1 4.2Å; F53-Y60 AromaticContact CD2-CD1 3.64Å; F53-Y60 HydrophobicContact CD2-CD1 3.64Å; F53-Y60 HydrophobicContact CD2-CD2 4.4Å; F53-Y60 AromaticContact CD2-CE1 3.44Å; F53-Y60 HydrophobicContact CD2-CE1 3.44Å; F53-Y60 VanDerWaalsContact CD2-CE1 3.44Å; F53-Y60 HydrophobicContact CD2-CE2 4.24Å; F53-Y60 HydrophobicContact CD2-CG 4.12Å; F53-Y60 AromaticContact CD2-CZ 3.77Å; F53-Y60 HydrophobicContact CE2-CE1 4.07Å; F53-Y60 HydrophobicContact CE2-CE2 4.22Å; F53-Y60 AromaticContact CE2-CZ 3.91Å; F53-Y60 HydrophobicContact CG-CD1 4.27Å; F53-Y60 HydrophobicContact CG-CE1 4.04Å |
| 61 | F | 94.6 | Very high | 93.1 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 161.5 | -179.4 | -66.9 | -79.9 | 0 | 0 | 0 | 110.1 | P47 F52 C54 K59 L67 H70 | P47-F61 CarbonylContact C-O 3.59Å; F52-F61 HydrophobicContact CB-CB 3.96Å; F52-F61 PolarHBondContact O-N 3.32Å; C54-F61 HydrophobicContact CB-CE2 3.95Å; K59-F61 HydrophobicContact CB-CE2 3.99Å; K59-F61 HydrophobicContact CB-CZ 4.08Å; F61-L67 HydrophobicContact CB-CB 4.33Å; F61-L67 HydrophobicContact CD2-CB 4.16Å; F61-L67 HydrophobicContact CD2-CG 4.25Å; F61-L67 HydrophobicContact CG-CB 4.29Å; F61-H70 HydrophobicContact CE1-CB 3.72Å; F61-H70 AromaticContact CE1-CG 3.94Å; F61-H70 HydrophobicContact CE2-CB 4.08Å; F61-H70 AromaticContact CE2-CD2 3.73Å; F61-H70 AromaticContact CE2-CG 3.79Å; F61-H70 HydrophobicContact CZ-CB 3.45Å; F61-H70 VanDerWaalsContact CZ-CB 3.45Å; F61-H70 AromaticContact CZ-CD2 3.6Å; F61-H70 AromaticContact CZ-CE1 3.97Å; F61-H70 AromaticContact CZ-CG 3.19Å; F61-H70 AromaticContact CZ-ND1 3.47Å; F61-H70 WeakPolarHBondContact CZ-ND1 3.41Å |
| 62 | I | 93.3 | Very high | 93.3 | Very high | 113 Ų | 113 | 60.6 Ų | 60.6 | 58% | 0.579 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -83.3 | -41.5 | -178.8 | -58.1 | 165.6 | 0 | 0 | 0 | 110.4 | P47 F52 | P47-I62 HydrophobicContact CB-CG1 4.11Å; F52-I62 WeakPolarHBondContact CD2-O 3.36Å; F52-I62 WeakPolarHBondContact CE2-O 3.4Å |
| 63 | D | 93 | Very high | 93.4 | Very high | 83 Ų | 83 | 63.3 Ų | 63.3 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -131.2 | 155.8 | -174.1 | -55.6 | -44 | 0 | 0 | 0 | 112.2 | I65 T66 L67 | D63-I65 VanDerWaalsContact C-N 3.26Å; D63-I65 PolarHBondContact O-N 2.62Å; D63-T66 HydrophobicContact CB-CG2 4.41Å; D63-T66 PolarHBondContact N-OG1 3.47Å; D63-T66 PolarHBondContact O-N 3.5Å; D63-T66 VanDerWaalsContact O-N 3.12Å; D63-T66 PolarHBondContact O-OG1 3.48Å; D63-L67 PolarHBondContact O-N 3.21Å |
| 64 | Q | 93.4 | Very high | 93.6 | Very high | 86 Ų | 86 | 69.6 Ų | 69.6 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.6 | -40 | 171.8 | -172.3 | 57.8 | 33.2 | 0 | 0 | 112.6 | F52 T66 L67 D68 | F52-Q64 HydrophobicContact CD1-CB 4.07Å; F52-Q64 VanDerWaalsContact CD1-OE1 3.29Å; F52-Q64 HydrophobicContact CE1-CB 3.64Å; F52-Q64 HydrophobicContact CZ-CB 4.34Å; Q64-T66 VanDerWaalsContact C-N 3.29Å; Q64-T66 PolarHBondContact O-N 3.48Å; Q64-L67 WeakPolarHBondContact O-CB 3.34Å; Q64-L67 PolarHBondContact O-N 3Å; Q64-D68 PolarHBondContact NE2-OD1 3.5Å; Q64-D68 PolarHBondContact O-N 3.43Å |
| 65 | I | 95.1 | Very high | 93.7 | Very high | 123 Ų | 123 | 73.3 Ų | 73.3 | 63% | 0.631 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.7 | -43 | 179.9 | -62.4 | 163.3 | 0 | 0 | 0 | 110.4 | D63 D68 L69 | D63-I65 VanDerWaalsContact C-N 3.26Å; D63-I65 PolarHBondContact O-N 2.62Å; I65-D68 PolarHBondContact O-N 2.97Å; I65-L69 HydrophobicContact CG2-CD1 4.24Å; I65-L69 WeakPolarHBondContact O-CG 3.14Å; I65-L69 PolarHBondContact O-N 2.67Å |
| 66 | T | 94.4 | Very high | 93.8 | Very high | 52 Ų | 52 | 72.7 Ų | 72.7 | 32% | 0.319 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.9 | -34.9 | -179.5 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | D63 Q64 L69 H70 | D63-T66 HydrophobicContact CB-CG2 4.41Å; D63-T66 PolarHBondContact N-OG1 3.47Å; D63-T66 PolarHBondContact O-N 3.5Å; D63-T66 VanDerWaalsContact O-N 3.12Å; D63-T66 PolarHBondContact O-OG1 3.48Å; Q64-T66 VanDerWaalsContact C-N 3.29Å; Q64-T66 PolarHBondContact O-N 3.48Å; T66-L69 PolarHBondContact O-N 3.2Å; T66-H70 WeakPolarHBondContact O-CB 3.41Å; T66-H70 PolarHBondContact O-N 3.47Å |
| 67 | L | 94 | Very high | 93.8 | Very high | 8 Ų | 8 | 76.6 Ų | 76.6 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 173.3 | -174.9 | 165 | 0 | 0 | 0 | 111.1 | F52 F61 D63 Q64 L69 H70 K71 | F52-L67 HydrophobicContact CB-CD1 3.95Å; F61-L67 HydrophobicContact CB-CB 4.33Å; F61-L67 HydrophobicContact CD2-CB 4.16Å; F61-L67 HydrophobicContact CD2-CG 4.25Å; F61-L67 HydrophobicContact CG-CB 4.29Å; D63-L67 PolarHBondContact O-N 3.21Å; Q64-L67 WeakPolarHBondContact O-CB 3.34Å; Q64-L67 PolarHBondContact O-N 3Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 3.25Å; L67-H70 WeakPolarHBondContact O-CB 3.28Å; L67-H70 PolarHBondContact O-N 3.26Å; L67-H70 VanDerWaalsContact O-N 3.16Å; L67-K71 HydrophobicContact CD2-CD 3.69Å; L67-K71 HydrophobicContact CD2-CG 4.19Å; L67-K71 VanDerWaalsContact CD2-NZ 3.26Å; L67-K71 WeakPolarHBondContact O-CG 3.28Å; L67-K71 PolarHBondContact O-N 3.27Å |
| 68 | D | 94.5 | Very high | 93.9 | Very high | 62 Ų | 62 | 84.1 Ų | 84.1 | 33% | 0.332 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 178.6 | -70 | -25 | 0 | 0 | 0 | 112.2 | Q64 I65 K72 | Q64-D68 PolarHBondContact NE2-OD1 3.5Å; Q64-D68 PolarHBondContact O-N 3.43Å; I65-D68 PolarHBondContact O-N 2.97Å; D68-K72 WeakPolarHBondContact O-CG 3.39Å; D68-K72 PolarHBondContact O-N 3.31Å |
| 69 | L | 95.4 | Very high | 93.8 | Very high | 92 Ų | 92 | 84.7 Ų | 84.7 | 48% | 0.482 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 169.6 | -72.1 | 174.9 | 0 | 0 | 0 | 110.9 | I65 T66 L67 K71 K72 Q73 | I65-L69 HydrophobicContact CG2-CD1 4.24Å; I65-L69 WeakPolarHBondContact O-CG 3.14Å; I65-L69 PolarHBondContact O-N 2.67Å; T66-L69 PolarHBondContact O-N 3.2Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 3.25Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 2.99Å; L69-K72 WeakPolarHBondContact O-CB 3.49Å; L69-K72 PolarHBondContact O-N 3.2Å; L69-K72 VanDerWaalsContact O-N 3.08Å; L69-Q73 WeakPolarHBondContact O-CG 3.4Å; L69-Q73 PolarHBondContact O-N 3.02Å |
| 70 | H | 94.2 | Very high | 93.8 | Very high | 23 Ų | 23 | 82.2 Ų | 82.2 | 11% | 0.106 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -55.5 | -46.4 | 177.8 | 167.5 | 75.4 | 0 | 0 | 0 | 112.3 | C57 F61 T66 L67 K72 Q73 H76 | C57-H70 VanDerWaalsContact SG-CE1 3.59Å; C57-H70 PolarHBondContact SG-NE2 2.83Å; C57-H70 VanDerWaalsContact SG-NE2 3.42Å; F61-H70 HydrophobicContact CE1-CB 3.72Å; F61-H70 AromaticContact CE1-CG 3.94Å; F61-H70 HydrophobicContact CE2-CB 4.08Å; F61-H70 AromaticContact CE2-CD2 3.73Å; F61-H70 AromaticContact CE2-CG 3.79Å; F61-H70 HydrophobicContact CZ-CB 3.45Å; F61-H70 VanDerWaalsContact CZ-CB 3.45Å; F61-H70 AromaticContact CZ-CD2 3.6Å; F61-H70 AromaticContact CZ-CE1 3.97Å; F61-H70 AromaticContact CZ-CG 3.19Å; F61-H70 AromaticContact CZ-ND1 3.47Å; F61-H70 WeakPolarHBondContact CZ-ND1 3.41Å; T66-H70 WeakPolarHBondContact O-CB 3.41Å; T66-H70 PolarHBondContact O-N 3.47Å; L67-H70 WeakPolarHBondContact O-CB 3.28Å; L67-H70 PolarHBondContact O-N 3.26Å; L67-H70 VanDerWaalsContact O-N 3.16Å; H70-K72 PolarHBondContact O-N 3.33Å; H70-Q73 WeakPolarHBondContact O-CB 3.12Å; H70-Q73 PolarHBondContact O-N 3.36Å; H70-H76 AromaticContact CD2-ND1 3.7Å; H70-H76 AromaticContact NE2-CG 3.9Å; H70-H76 AromaticContact NE2-ND1 3.16Å; H70-H76 PolarHBondContact NE2-ND1 3.46Å; H70-H76 VanDerWaalsContact NE2-ND1 3.16Å; H70-H76 VanDerWaalsContact O-CB 3.28Å; H70-H76 WeakPolarHBondContact O-CB 3.47Å |
| 71 | K | 93 | Very high | 93.6 | Very high | 97 Ų | 97 | 86 Ų | 86 | 42% | 0.422 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.5 | -33.7 | 177.3 | -74 | 172.9 | 171.8 | 166.2 | 0 | 112.7 | L67 L69 H76 | L67-K71 HydrophobicContact CD2-CD 3.69Å; L67-K71 HydrophobicContact CD2-CG 4.19Å; L67-K71 VanDerWaalsContact CD2-NZ 3.26Å; L67-K71 WeakPolarHBondContact O-CG 3.28Å; L67-K71 PolarHBondContact O-N 3.27Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 2.99Å; K71-H76 PolarHBondContact O-CD2 3.08Å; K71-H76 VanDerWaalsContact O-CD2 3.31Å |
| 72 | K | 93.9 | Very high | 93.4 | Very high | 147 Ų | 147 | 86.8 Ų | 86.8 | 64% | 0.639 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -78.5 | -22.3 | 179.2 | -65 | 171.8 | -173.9 | 176.2 | 0 | 113.1 | D68 L69 H70 K77 | D68-K72 WeakPolarHBondContact O-CG 3.39Å; D68-K72 PolarHBondContact O-N 3.31Å; L69-K72 WeakPolarHBondContact O-CB 3.49Å; L69-K72 PolarHBondContact O-N 3.2Å; L69-K72 VanDerWaalsContact O-N 3.08Å; H70-K72 PolarHBondContact O-N 3.33Å; K72-K77 WeakPolarHBondContact O-CE 3.43Å |
| 73 | Q | 95 | Very high | 93.2 | Very high | 101 Ų | 101 | 81.4 Ų | 81.4 | 47% | 0.472 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -68 | 148.7 | -174.7 | -66.3 | -55.1 | -40.8 | 0 | 0 | 113.2 | L69 H70 P75 H76 K77 | L69-Q73 WeakPolarHBondContact O-CG 3.4Å; L69-Q73 PolarHBondContact O-N 3.02Å; H70-Q73 WeakPolarHBondContact O-CB 3.12Å; H70-Q73 PolarHBondContact O-N 3.36Å; Q73-P75 HydrophobicContact CB-CG 3.81Å; Q73-H76 PolarHBondContact O-N 3.42Å; Q73-K77 PolarHBondContact O-N 3.4Å |
| 74 | K | 95.5 | Very high | 93 | Very high | 156 Ų | 156 | 82 Ų | 82 | 68% | 0.678 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -52.8 | -44.4 | 174.9 | -65 | -176.3 | -179.4 | 180 | 0 | 114.8 | H76 K77 R78 | K74-H76 VanDerWaalsContact C-N 3.29Å; K74-H76 PolarHBondContact O-N 3.21Å; K74-K77 PolarHBondContact O-N 3.03Å; K74-R78 WeakPolarHBondContact O-CG 3.39Å; K74-R78 PolarHBondContact O-N 3.2Å |
| 75 | P | 94.2 | Very high | 92.6 | Very high | 83 Ų | 83 | 84.4 Ų | 84.4 | 54% | 0.539 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -54.7 | -42.3 | 176.4 | 18.5 | -35.6 | 0 | 0 | 0 | 113.4 | Q73 R78 R79 | Q73-P75 HydrophobicContact CB-CG 3.81Å; P75-R78 PolarHBondContact O-N 3.16Å; P75-R79 PolarHBondContact O-N 3.31Å |
| 76 | H | 93.2 | Very high | 92.2 | Very high | 12 Ų | 12 | 81.4 Ų | 81.4 | 6% | 0.056 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 178.5 | -176.4 | 82.1 | 0 | 0 | 0 | 110.9 | C54 F56 H70 K71 Q73 K74 R78 R79 L80 | C54-H76 VanDerWaalsContact SG-CE1 3.52Å; F56-H76 AromaticContact CD2-CE1 3.81Å; H70-H76 AromaticContact CD2-ND1 3.7Å; H70-H76 AromaticContact NE2-CG 3.9Å; H70-H76 AromaticContact NE2-ND1 3.16Å; H70-H76 PolarHBondContact NE2-ND1 3.46Å; H70-H76 VanDerWaalsContact NE2-ND1 3.16Å; H70-H76 VanDerWaalsContact O-CB 3.28Å; H70-H76 WeakPolarHBondContact O-CB 3.47Å; K71-H76 PolarHBondContact O-CD2 3.08Å; K71-H76 VanDerWaalsContact O-CD2 3.31Å; Q73-H76 PolarHBondContact O-N 3.42Å; K74-H76 VanDerWaalsContact C-N 3.29Å; K74-H76 PolarHBondContact O-N 3.21Å; H76-R78 VanDerWaalsContact C-N 3.27Å; H76-R78 PolarHBondContact O-N 2.95Å; H76-R79 WeakPolarHBondContact O-CA 3.38Å; H76-R79 WeakPolarHBondContact O-CB 3.41Å; H76-R79 PolarHBondContact O-N 3.37Å; H76-L80 PolarHBondContact O-N 2.75Å |
| 77 | K | 92.4 | Very high | 91.9 | Very high | 116 Ų | 116 | 80.5 Ų | 80.5 | 50% | 0.504 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.8 | -35.2 | 175.8 | -62.8 | -178.7 | -179.1 | -177.5 | 0 | 113.2 | K72 Q73 K74 K81 | K72-K77 WeakPolarHBondContact O-CE 3.43Å; Q73-K77 PolarHBondContact O-N 3.4Å; K74-K77 PolarHBondContact O-N 3.03Å; K77-K81 WeakPolarHBondContact O-CG 3.27Å; K77-K81 PolarHBondContact O-N 3.27Å |
| 78 | R | 93 | Very high | 91.6 | Very high | 180 Ų | 180 | 86.6 Ų | 86.6 | 68% | 0.679 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.1 | -41.2 | 173.5 | -74.2 | 176.8 | 178.1 | -176.6 | -1.8 | 111.4 | K74 P75 H76 K81 S82 | K74-R78 WeakPolarHBondContact O-CG 3.39Å; K74-R78 PolarHBondContact O-N 3.2Å; P75-R78 PolarHBondContact O-N 3.16Å; H76-R78 VanDerWaalsContact C-N 3.27Å; H76-R78 PolarHBondContact O-N 2.95Å; R78-K81 PolarHBondContact O-N 3.04Å; R78-S82 PolarHBondContact O-N 3.43Å; R78-S82 VanDerWaalsContact O-N 3.07Å; R78-S82 PolarHBondContact O-OG 3.33Å |
| 79 | R | 92.2 | Very high | 91.4 | Very high | 51 Ų | 51 | 86.1 Ų | 86.1 | 19% | 0.192 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 177.7 | -171.5 | 58 | 167.7 | -167.4 | 1.5 | 111.9 | R18 D19 F56 P75 H76 K81 S82 L83 | R18-R79 PolarHBondContact O-NH2 3.01Å; D19-R79 PolarHBondContact O-NH2 3.31Å; F56-R79 WeakPolarHBondContact O-CG 3.5Å; F56-R79 PolarHBondContact O-NE 3.11Å; P75-R79 PolarHBondContact O-N 3.31Å; H76-R79 WeakPolarHBondContact O-CA 3.38Å; H76-R79 WeakPolarHBondContact O-CB 3.41Å; H76-R79 PolarHBondContact O-N 3.37Å; R79-K81 PolarHBondContact O-N 3.3Å; R79-S82 PolarHBondContact O-N 3.34Å; R79-L83 HydrophobicContact CG-CD1 4.15Å; R79-L83 WeakPolarHBondContact O-CG 3.47Å; R79-L83 PolarHBondContact O-N 3.04Å |
| 80 | L | 91.7 | Very high | 91.1 | Very high | 48 Ų | 48 | 88 Ų | 88 | 25% | 0.251 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 174.3 | -67.8 | 176.6 | 0 | 0 | 0 | 111.7 | F56 H76 S82 L83 E84 | F56-L80 HydrophobicContact CB-CD2 4.2Å; F56-L80 HydrophobicContact CD1-CD2 3.64Å; F56-L80 HydrophobicContact CD2-CD2 3.98Å; F56-L80 HydrophobicContact CE1-CD2 3.94Å; F56-L80 HydrophobicContact CE2-CD2 4.24Å; F56-L80 HydrophobicContact CG-CD2 3.66Å; F56-L80 HydrophobicContact CZ-CD2 4.23Å; H76-L80 PolarHBondContact O-N 2.75Å; L80-S82 VanDerWaalsContact C-N 3.35Å; L80-S82 PolarHBondContact O-N 3.04Å; L80-L83 CarbonylContact O-C 3.14Å; L80-L83 WeakPolarHBondContact O-CA 3.5Å; L80-L83 PolarHBondContact O-N 2.96Å; L80-E84 PolarHBondContact O-N 3.49Å; L80-E84 VanDerWaalsContact O-N 3.08Å |
| 81 | K | 90.1 | Very high | 90.8 | Very high | 139 Ų | 139 | 92.2 Ų | 92.2 | 60% | 0.604 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.5 | -42.3 | 175.4 | -70.5 | -178.4 | 178.2 | -162.6 | 0 | 113 | K77 R78 R79 L83 E84 | K77-K81 WeakPolarHBondContact O-CG 3.27Å; K77-K81 PolarHBondContact O-N 3.27Å; R78-K81 PolarHBondContact O-N 3.04Å; R79-K81 PolarHBondContact O-N 3.3Å; K81-L83 PolarHBondContact O-N 3.23Å; K81-E84 WeakPolarHBondContact O-CB 3.4Å; K81-E84 PolarHBondContact O-N 3.02Å; K81-E84 VanDerWaalsContact O-N 3.14Å |
| 82 | S | 90.1 | Very high | 90.6 | Very high | 50 Ų | 50 | 88.9 Ų | 88.9 | 35% | 0.35 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.3 | -24.8 | 175.7 | -61.3 | 0 | 0 | 0 | 0 | 113.6 | R78 R79 L80 | R78-S82 PolarHBondContact O-N 3.43Å; R78-S82 VanDerWaalsContact O-N 3.07Å; R78-S82 PolarHBondContact O-OG 3.33Å; R79-S82 PolarHBondContact O-N 3.34Å; L80-S82 VanDerWaalsContact C-N 3.35Å; L80-S82 PolarHBondContact O-N 3.04Å |
| 83 | L | 89.8 | Confident | 90.4 | Very high | 1 Ų | 1 | 83.4 Ų | 83.4 | 1% | 0.005 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -3.5 | 176 | -70.2 | 166.8 | 0 | 0 | 0 | 112.3 | I20 I23 L27 F56 R79 L80 K81 C112 I113 | I20-L83 HydrophobicContact CG2-CD2 3.94Å; I23-L83 HydrophobicContact CB-CD2 4.32Å; I23-L83 HydrophobicContact CG2-CD1 4.05Å; I23-L83 HydrophobicContact CG2-CD2 3.98Å; L27-L83 HydrophobicContact CD1-CD1 4.01Å; L27-L83 HydrophobicContact CD1-CD2 4.29Å; F56-L83 HydrophobicContact CB-CD1 4.12Å; F56-L83 HydrophobicContact CD1-CD1 3.9Å; R79-L83 HydrophobicContact CG-CD1 4.15Å; R79-L83 WeakPolarHBondContact O-CG 3.47Å; R79-L83 PolarHBondContact O-N 3.04Å; L80-L83 CarbonylContact O-C 3.14Å; L80-L83 WeakPolarHBondContact O-CA 3.5Å; L80-L83 PolarHBondContact O-N 2.96Å; K81-L83 PolarHBondContact O-N 3.23Å; L83-C112 PolarHBondContact O-SG 3.14Å; L83-I113 HydrophobicContact CB-CD1 3.77Å; L83-I113 HydrophobicContact CB-CG1 4.26Å; L83-I113 WeakPolarHBondContact O-CD1 3.34Å; L83-I113 WeakPolarHBondContact O-CG1 3.44Å |
| 84 | E | 87.4 | Confident | 90.2 | Very high | 96 Ų | 96 | 80.7 Ų | 80.7 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -40.3 | 170.7 | -73.2 | 166.8 | -167.9 | 0 | 0 | 110 | L80 K81 K110 R111 C112 I113 | L80-E84 PolarHBondContact O-N 3.49Å; L80-E84 VanDerWaalsContact O-N 3.08Å; K81-E84 WeakPolarHBondContact O-CB 3.4Å; K81-E84 PolarHBondContact O-N 3.02Å; K81-E84 VanDerWaalsContact O-N 3.14Å; E84-K110 CarbonylContact C-O 3.53Å; E84-K110 CarbonylContact O-C 3.56Å; E84-R111 WeakPolarHBondContact O-CA 3.49Å; E84-R111 PolarHBondContact O-N 3.28Å; E84-C112 PolarHBondContact O-N 2.9Å; E84-I113 HydrophobicContact CG-CD1 4.35Å |
| 85 | E | 86.1 | Confident | 89.8 | Confident | 136 Ų | 136 | 76.7 Ų | 76.7 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -67 | 145.5 | 176.2 | -64.8 | 175.9 | 173.9 | 0 | 0 | 111.4 | C112 | E85-C112 PolarHBondContact O-SG 3.11Š|
| 86 | P | 85.6 | Confident | 89.6 | Confident | 59 Ų | 59 | 76.9 Ų | 76.9 | 38% | 0.383 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 136.8 | 173.6 | 27 | -34.2 | 0 | 0 | 0 | 110 | ||
| 87 | P | 88.8 | Confident | 89.5 | Confident | 34 Ų | 34 | 79.6 Ų | 79.6 | 22% | 0.221 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 138.8 | 178.3 | 30 | -37.3 | 0 | 0 | 0 | 110.2 | D21 S24 T89 | D21-P87 HydrophobicContact CB-CB 4.01Å; S24-P87 WeakPolarHBondContact OG-CG 3.27Å; P87-T89 PolarHBondContact O-N 3.21Å |
| 88 | H | 87.7 | Confident | 89.2 | Confident | 135 Ų | 135 | 77.2 Ų | 77.2 | 63% | 0.625 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -72 | 127.4 | 173.2 | -176.4 | 60.8 | 0 | 0 | 0 | 110.3 | D92 | H88-D92 WeakPolarHBondContact ND1-CB 3.38Å; H88-D92 IonicContact ND1-OD2 3.88Å |
| 89 | T | 89.4 | Confident | 89 | Confident | 53 Ų | 53 | 74.9 Ų | 74.9 | 33% | 0.325 | 42% | 0.418 | S | S | . | . | trans | -111.4 | 163.8 | -179.8 | 62.3 | 0 | 0 | 0 | 0 | 111.4 | P87 E91 D92 A93 | P87-T89 PolarHBondContact O-N 3.21Å; T89-E91 PolarHBondContact O-N 3.21Å; T89-D92 PolarHBondContact N-OD2 3.14Å; T89-D92 WeakPolarHBondContact O-CB 3.28Å; T89-D92 PolarHBondContact O-N 3.45Å; T89-D92 PolarHBondContact OG1-N 3.28Å; T89-D92 PolarHBondContact OG1-OD2 3.28Å; T89-A93 PolarHBondContact O-N 3.37Å | ||
| 90 | Q | 89.5 | Confident | 88.1 | Confident | 132 Ų | 132 | 75.5 Ų | 75.5 | 62% | 0.617 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.1 | -34.8 | 174.6 | -176.1 | 60.2 | 39.9 | 0 | 0 | 111.7 | D92 A93 D94 | Q90-D92 VanDerWaalsContact C-N 3.32Å; Q90-D92 PolarHBondContact O-N 3.36Å; Q90-A93 WeakPolarHBondContact O-CB 3.39Å; Q90-A93 PolarHBondContact O-N 2.95Å; Q90-A93 VanDerWaalsContact O-N 3.08Å; Q90-D94 PolarHBondContact NE2-OD1 3.43Å; Q90-D94 PolarHBondContact O-N 3.08Å |
| 91 | E | 88.4 | Confident | 87 | Confident | 110 Ų | 110 | 81.3 Ų | 81.3 | 51% | 0.514 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 177.4 | -60 | 177.4 | 175.7 | 0 | 0 | 112 | T89 A93 D94 F95 L100 Y104 | T89-E91 PolarHBondContact O-N 3.21Å; E91-A93 VanDerWaalsContact C-N 3.27Å; E91-A93 PolarHBondContact O-N 2.94Å; E91-D94 PolarHBondContact O-N 3.4Å; E91-F95 VanDerWaalsContact O-CB 3.28Å; E91-F95 WeakPolarHBondContact O-CB 3.4Å; E91-F95 PolarHBondContact O-N 2.87Å; E91-L100 HydrophobicContact CB-CD2 4.21Å; E91-Y104 HydrophobicContact CB-CD2 4.4Å; E91-Y104 HydrophobicContact CB-CE2 3.76Å |
| 92 | D | 88.1 | Confident | 86.1 | Confident | 27 Ų | 27 | 82.2 Ų | 82.2 | 14% | 0.144 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 173.5 | -69 | -68.5 | 0 | 0 | 0 | 111.4 | H88 T89 Q90 A96 Y104 | H88-D92 WeakPolarHBondContact ND1-CB 3.38Å; H88-D92 IonicContact ND1-OD2 3.88Å; T89-D92 PolarHBondContact N-OD2 3.14Å; T89-D92 WeakPolarHBondContact O-CB 3.28Å; T89-D92 PolarHBondContact O-N 3.45Å; T89-D92 PolarHBondContact OG1-N 3.28Å; T89-D92 PolarHBondContact OG1-OD2 3.28Å; Q90-D92 VanDerWaalsContact C-N 3.32Å; Q90-D92 PolarHBondContact O-N 3.36Å; D92-A96 WeakPolarHBondContact O-CB 3.43Å; D92-A96 PolarHBondContact O-N 3.21Å; D92-Y104 WeakPolarHBondContact OD1-CE1 3.45Å; D92-Y104 PolarHBondContact OD1-OH 3.08Å; D92-Y104 PolarHBondContact OD2-OH 2.82Å |
| 93 | A | 90.6 | Very high | 85.4 | Confident | 32 Ų | 32 | 86.4 Ų | 86.4 | 26% | 0.264 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70 | -42.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T89 Q90 E91 A96 A97 | T89-A93 PolarHBondContact O-N 3.37Å; Q90-A93 WeakPolarHBondContact O-CB 3.39Å; Q90-A93 PolarHBondContact O-N 2.95Å; Q90-A93 VanDerWaalsContact O-N 3.08Å; E91-A93 VanDerWaalsContact C-N 3.27Å; E91-A93 PolarHBondContact O-N 2.94Å; A93-A96 PolarHBondContact O-N 3.36Å; A93-A97 WeakPolarHBondContact O-CB 3.41Å; A93-A97 PolarHBondContact O-N 2.87Å |
| 94 | D | 90.8 | Very high | 84.8 | Confident | 44 Ų | 44 | 88.7 Ų | 88.7 | 24% | 0.235 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -67.9 | -36.2 | 178.4 | -64.8 | -19.7 | 0 | 0 | 0 | 111.7 | Q90 E91 A97 G98 I99 L100 | Q90-D94 PolarHBondContact NE2-OD1 3.43Å; Q90-D94 PolarHBondContact O-N 3.08Å; E91-D94 PolarHBondContact O-N 3.4Å; D94-A97 PolarHBondContact O-N 3.41Å; D94-G98 PolarHBondContact O-N 2.85Å; D94-G98 VanDerWaalsContact O-N 3.16Å; D94-I99 HydrophobicContact CB-CB 4.44Å; D94-I99 PolarHBondContact O-N 2.78Å; D94-L100 HydrophobicContact CB-CD1 4.35Å |
| 95 | F | 87.7 | Confident | 84 | Confident | 72 Ų | 72 | 92.8 Ų | 92.8 | 32% | 0.316 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 171.4 | 179.1 | -102.9 | 0 | 0 | 0 | 111.2 | E91 A97 G98 L100 Y104 I106 | E91-F95 VanDerWaalsContact O-CB 3.28Å; E91-F95 WeakPolarHBondContact O-CB 3.4Å; E91-F95 PolarHBondContact O-N 2.87Å; F95-A97 VanDerWaalsContact C-N 3.25Å; F95-A97 PolarHBondContact O-N 3.33Å; F95-G98 PolarHBondContact O-N 3.45Å; F95-L100 HydrophobicContact CB-CB 4.27Å; F95-L100 HydrophobicContact CB-CD2 4.48Å; F95-Y104 HydrophobicContact CB-CD1 3.72Å; F95-Y104 HydrophobicContact CB-CE1 4.25Å; F95-Y104 HydrophobicContact CB-CG 4.32Å; F95-Y104 AromaticContact CD1-CD1 3.95Å; F95-Y104 HydrophobicContact CD1-CD1 3.95Å; F95-Y104 AromaticContact CD2-CD1 3.91Å; F95-Y104 HydrophobicContact CD2-CD1 3.91Å; F95-Y104 HydrophobicContact CD2-CG 4.22Å; F95-Y104 AromaticContact CG-CD1 3.58Å; F95-Y104 HydrophobicContact CG-CD1 3.58Å; F95-Y104 HydrophobicContact CG-CE1 4.39Å; F95-Y104 HydrophobicContact CG-CG 4.28Å; F95-I106 HydrophobicContact CD1-CD1 4.42Å; F95-I106 HydrophobicContact CE1-CD1 4.16Å; F95-I106 HydrophobicContact CE1-CG1 4.49Å |
| 96 | A | 89 | Confident | 83.3 | Confident | 87 Ų | 87 | 91.1 Ų | 91.1 | 72% | 0.719 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.3 | -29.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | D92 A93 G98 | D92-A96 WeakPolarHBondContact O-CB 3.43Å; D92-A96 PolarHBondContact O-N 3.21Å; A93-A96 PolarHBondContact O-N 3.36Å; A96-G98 VanDerWaalsContact C-N 3.29Å |
| 97 | A | 91.5 | Very high | 82.4 | Confident | 70 Ų | 70 | 91.1 Ų | 91.1 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -9.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A93 D94 F95 I99 | A93-A97 WeakPolarHBondContact O-CB 3.41Å; A93-A97 PolarHBondContact O-N 2.87Å; D94-A97 PolarHBondContact O-N 3.41Å; F95-A97 VanDerWaalsContact C-N 3.25Å; F95-A97 PolarHBondContact O-N 3.33Å; A97-I99 HydrophobicContact CB-CD1 4.17Å; A97-I99 HydrophobicContact CB-CG1 4.23Å |
| 98 | G | 86.4 | Confident | 81.2 | Confident | 66 Ų | 66 | 95 Ų | 95 | 68% | 0.68 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 20.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D94 F95 A96 | D94-G98 PolarHBondContact O-N 2.85Å; D94-G98 VanDerWaalsContact O-N 3.16Å; F95-G98 PolarHBondContact O-N 3.45Å; A96-G98 VanDerWaalsContact C-N 3.29Å |
| 99 | I | 87.7 | Confident | 80 | Confident | 130 Ų | 130 | 96.1 Ų | 96.1 | 67% | 0.667 | 53% | 0.53 | S | S | * | . | trans | -89.3 | -34.3 | 179.5 | -60.6 | 172.9 | 0 | 0 | 0 | 111.3 | D94 A97 | D94-I99 HydrophobicContact CB-CB 4.44Å; D94-I99 PolarHBondContact O-N 2.78Å; A97-I99 HydrophobicContact CB-CD1 4.17Å; A97-I99 HydrophobicContact CB-CG1 4.23Å | ||
| 100 | L | 73.7 | Confident | 78.6 | Confident | 64 Ų | 64 | 102.2 Ų | 102.2 | 34% | 0.335 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -84.7 | 154.2 | -173.7 | -142 | 74.7 | 0 | 0 | 0 | 112.6 | E91 D94 F95 Y104 | E91-L100 HydrophobicContact CB-CD2 4.21Å; D94-L100 HydrophobicContact CB-CD1 4.35Å; F95-L100 HydrophobicContact CB-CB 4.27Å; F95-L100 HydrophobicContact CB-CD2 4.48Å; L100-Y104 HydrophobicContact CD2-CD2 3.87Å; L100-Y104 HydrophobicContact CD2-CG 3.93Å |
| 101 | K | 69.8 | Low | 77.2 | Confident | 170 Ų | 170 | 105 Ų | 105 | 74% | 0.739 | 56% | 0.557 | S | S | * | * | trans | -64 | 149.4 | 178.6 | -66.6 | 177.7 | -179.9 | 174 | 0 | 111.9 | D103 Y104 | K101-D103 PolarHBondContact O-N 3.49Å; K101-Y104 PolarHBondContact O-N 3.07Å | ||
| 102 | D | 69.3 | Low | 76 | Confident | 159 Ų | 159 | 102.3 Ų | 102.3 | 85% | 0.85 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -11.7 | -177.4 | -61.8 | -49.9 | 0 | 0 | 0 | 115.5 | Y104 | D102-Y104 VanDerWaalsContact C-N 3.3Å; D102-Y104 PolarHBondContact O-N 3.4Å |
| 103 | D | 76.4 | Confident | 75 | Confident | 137 Ų | 137 | 102.7 Ų | 102.7 | 73% | 0.733 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -13.1 | -177.5 | -58.4 | -43.2 | 0 | 0 | 0 | 113.8 | K101 K105 | K101-D103 PolarHBondContact O-N 3.49Å; D103-K105 PolarHBondContact O-N 3.26Å |
| 104 | Y | 76.4 | Confident | 73.5 | Confident | 50 Ų | 50 | 102.6 Ų | 102.6 | 20% | 0.196 | 55% | 0.549 | C | S | . | . | trans | -68.8 | 121.9 | -179.1 | -175.2 | -98.4 | 0 | 0 | 0 | 111.5 | E91 D92 F95 L100 K101 D102 I106 | E91-Y104 HydrophobicContact CB-CD2 4.4Å; E91-Y104 HydrophobicContact CB-CE2 3.76Å; D92-Y104 WeakPolarHBondContact OD1-CE1 3.45Å; D92-Y104 PolarHBondContact OD1-OH 3.08Å; D92-Y104 PolarHBondContact OD2-OH 2.82Å; F95-Y104 HydrophobicContact CB-CD1 3.72Å; F95-Y104 HydrophobicContact CB-CE1 4.25Å; F95-Y104 HydrophobicContact CB-CG 4.32Å; F95-Y104 AromaticContact CD1-CD1 3.95Å; F95-Y104 HydrophobicContact CD1-CD1 3.95Å; F95-Y104 AromaticContact CD2-CD1 3.91Å; F95-Y104 HydrophobicContact CD2-CD1 3.91Å; F95-Y104 HydrophobicContact CD2-CG 4.22Å; F95-Y104 AromaticContact CG-CD1 3.58Å; F95-Y104 HydrophobicContact CG-CD1 3.58Å; F95-Y104 HydrophobicContact CG-CE1 4.39Å; F95-Y104 HydrophobicContact CG-CG 4.28Å; L100-Y104 HydrophobicContact CD2-CD2 3.87Å; L100-Y104 HydrophobicContact CD2-CG 3.93Å; K101-Y104 PolarHBondContact O-N 3.07Å; D102-Y104 VanDerWaalsContact C-N 3.3Å; D102-Y104 PolarHBondContact O-N 3.4Å; Y104-I106 HydrophobicContact CE1-CG1 4.1Å | ||
| 105 | K | 70.5 | Confident | 72 | Confident | 181 Ų | 181 | 105.2 Ų | 105.2 | 79% | 0.787 | 57% | 0.568 | S | S | * | * | trans | -111.9 | 115.5 | 178.5 | -66.3 | 178.6 | -174.2 | 177.1 | 0 | 109.4 | D103 S107 | D103-K105 PolarHBondContact O-N 3.26Å; K105-S107 PolarHBondContact O-N 3.11Å; K105-S107 VanDerWaalsContact O-N 3.11Å | ||
| 106 | I | 71.4 | Confident | 70.5 | Confident | 101 Ų | 101 | 108.1 Ų | 108.1 | 52% | 0.518 | 59% | 0.587 | S | S | . | * | trans | -57 | 118.5 | 168.7 | -59.6 | 160.9 | 0 | 0 | 0 | 107.6 | F95 Y104 S108 | F95-I106 HydrophobicContact CD1-CD1 4.42Å; F95-I106 HydrophobicContact CE1-CD1 4.16Å; F95-I106 HydrophobicContact CE1-CG1 4.49Å; Y104-I106 HydrophobicContact CE1-CG1 4.1Å; I106-S108 PolarHBondContact O-N 3.36Å | ||
| 107 | S | 67.5 | Low | 68.9 | Low | 59 Ų | 59 | 105 Ų | 105 | 41% | 0.413 | 56% | 0.558 | S | S | . | * | trans | -61.9 | 107.9 | 179.8 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | K105 K109 | K105-S107 PolarHBondContact O-N 3.11Å; K105-S107 VanDerWaalsContact O-N 3.11Å; S107-K109 PolarHBondContact O-N 3.39Å; S107-K109 VanDerWaalsContact O-N 3.11Å | ||
| 108 | S | 62.7 | Low | 66.4 | Low | 116 Ų | 116 | 106.6 Ų | 106.6 | 81% | 0.811 | 56% | 0.564 | S | S | * | * | trans | -74.1 | 4.1 | 177.4 | -37.6 | 0 | 0 | 0 | 0 | 113 | I106 K110 | I106-S108 PolarHBondContact O-N 3.36Å; S108-K110 PolarHBondContact O-N 3.31Å | ||
| 109 | K | 62.5 | Low | 64.4 | Low | 159 Ų | 159 | 107 Ų | 107 | 69% | 0.691 | 56% | 0.555 | S | S | * | * | trans | -73.4 | 112.8 | -176.4 | -66.4 | -178.2 | -177.8 | 175.5 | 0 | 109.6 | S107 R111 | S107-K109 PolarHBondContact O-N 3.39Å; S107-K109 VanDerWaalsContact O-N 3.11Å; K109-R111 PolarHBondContact O-N 3.47Å; K109-R111 VanDerWaalsContact O-N 3.14Å | ||
| 110 | K | 60.6 | Low | 62 | Low | 181 Ų | 181 | 109.2 Ų | 109.2 | 79% | 0.787 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -72 | 4 | -179.9 | -61.9 | -175.2 | 177.9 | -179.9 | 0 | 115.2 | E84 S108 | E84-K110 CarbonylContact C-O 3.53Å; E84-K110 CarbonylContact O-C 3.56Å; S108-K110 PolarHBondContact O-N 3.31Å |
| 111 | R | 61.3 | Low | 60 | Low | 190 Ų | 190 | 109.9 Ų | 109.9 | 72% | 0.717 | 57% | 0.572 | S | S | * | * | trans | -144.7 | 107.7 | -175.6 | -65.4 | -168.5 | -68.7 | -171.8 | 0.9 | 110 | E84 K109 | E84-R111 WeakPolarHBondContact O-CA 3.49Å; E84-R111 PolarHBondContact O-N 3.28Å; K109-R111 PolarHBondContact O-N 3.47Å; K109-R111 VanDerWaalsContact O-N 3.14Å | ||
| 112 | C | 62 | Low | 58.7 | Low | 54 Ų | 54 | 108.8 Ų | 108.8 | 37% | 0.365 | 57% | 0.573 | S | S | . | * | trans | -95.1 | -6.2 | 165.7 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | L83 E84 E85 | L83-C112 PolarHBondContact O-SG 3.14Å; E84-C112 PolarHBondContact O-N 2.9Å; E85-C112 PolarHBondContact O-SG 3.11Å | ||
| 113 | I | 66.4 | Low | 57.4 | Low | 35 Ų | 35 | 108.6 Ų | 108.6 | 18% | 0.179 | 57% | 0.567 | C | S | . | * | S | Bend | trans | -92.4 | 124.2 | 172.1 | -52.6 | 162.1 | 0 | 0 | 0 | 108.5 | L27 L83 E84 L117 | L27-I113 HydrophobicContact CD1-CG1 4.48Å; L83-I113 HydrophobicContact CB-CD1 3.77Å; L83-I113 HydrophobicContact CB-CG1 4.26Å; L83-I113 WeakPolarHBondContact O-CD1 3.34Å; L83-I113 WeakPolarHBondContact O-CG1 3.44Å; E84-I113 HydrophobicContact CG-CD1 4.35Å; I113-L117 HydrophobicContact CG2-CB 4.44Å; I113-L117 HydrophobicContact CG2-CD1 4.44Å |
| 114 | S | 61 | Low | 55.5 | Low | 29 Ų | 29 | 107.4 Ų | 107.4 | 20% | 0.203 | 57% | 0.569 | C | S | . | * | trans | -66.5 | 134.7 | 166.1 | 51.3 | 0 | 0 | 0 | 0 | 108.8 | D116 L117 | S114-D116 PolarHBondContact O-N 3.22Å; S114-L117 PolarHBondContact O-N 2.93Å; S114-L117 WeakPolarHBondContact OG-CD1 3.37Å; S114-L117 VanDerWaalsContact OG-CG 3.29Å; S114-L117 WeakPolarHBondContact OG-CG 3.38Å | ||
| 115 | P | 59.1 | Low | 54.6 | Low | 100 Ų | 100 | 109.7 Ų | 109.7 | 65% | 0.649 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -18.9 | -176.1 | 24.5 | -33.7 | 0 | 0 | 0 | 113.1 | ||
| 116 | D | 55.4 | Low | 53.9 | Low | 133 Ų | 133 | 105.8 Ų | 105.8 | 71% | 0.711 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -7.6 | -174.1 | -50.4 | -58.1 | 0 | 0 | 0 | 114 | S114 C118 | S114-D116 PolarHBondContact O-N 3.22Å; D116-C118 PolarHBondContact O-N 3.16Å |
| 117 | L | 55.2 | Low | 53.2 | Low | 21 Ų | 21 | 106.7 Ų | 106.7 | 11% | 0.11 | 59% | 0.59 | C | S | . | * | trans | -78.6 | 19.3 | 178.8 | -72.4 | 165.4 | 0 | 0 | 0 | 114.4 | L27 F32 I113 S114 P119 | L27-L117 VanDerWaalsContact O-CD1 3.28Å; L27-L117 WeakPolarHBondContact O-CD1 3.47Å; F32-L117 HydrophobicContact CD1-CD2 4Å; F32-L117 HydrophobicContact CD2-CD2 3.6Å; F32-L117 HydrophobicContact CE1-CD2 4Å; F32-L117 HydrophobicContact CE2-CD2 3.56Å; F32-L117 HydrophobicContact CG-CD2 3.8Å; F32-L117 HydrophobicContact CZ-CD2 3.78Å; I113-L117 HydrophobicContact CG2-CB 4.44Å; I113-L117 HydrophobicContact CG2-CD1 4.44Å; S114-L117 PolarHBondContact O-N 2.93Å; S114-L117 WeakPolarHBondContact OG-CD1 3.37Å; S114-L117 VanDerWaalsContact OG-CG 3.29Å; S114-L117 WeakPolarHBondContact OG-CG 3.38Å; L117-P119 WeakPolarHBondContact O-CD 3.48Å | ||
| 118 | C | 38.3 | Very low | 52.7 | Low | 103 Ų | 103 | 109.6 Ų | 109.6 | 70% | 0.696 | 61% | 0.605 | S | S | * | * | trans | -103.1 | 77.7 | 161.9 | -166.7 | 0 | 0 | 0 | 0 | 109.5 | D116 Q120 | D116-C118 PolarHBondContact O-N 3.16Å; C118-Q120 PolarHBondContact O-N 3.04Å | ||
| 119 | P | 45.6 | Very low | 52.1 | Low | 76 Ų | 76 | 109 Ų | 109 | 49% | 0.494 | 60% | 0.6 | S | S | . | * | trans | -70.9 | 106.5 | 169 | 28.3 | -30.8 | 0 | 0 | 0 | 108.2 | L117 S121 | L117-P119 WeakPolarHBondContact O-CD 3.48Å; P119-S121 PolarHBondContact O-N 3.38Å | ||
| 120 | Q | 37.2 | Very low | 52 | Low | 175 Ų | 175 | 109.8 Ų | 109.8 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | trans | -59 | 129.5 | 149.3 | -63.4 | -175.1 | -14 | 0 | 0 | 106.3 | C118 | C118-Q120 PolarHBondContact O-N 3.04Š| ||
| 121 | S | 31.1 | Very low | 52.3 | Low | 79 Ų | 79 | 106.6 Ų | 106.6 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | trans | 59.1 | 93 | 170.6 | 53.6 | 0 | 0 | 0 | 0 | 117.9 | P119 Q123 | P119-S121 PolarHBondContact O-N 3.38Å; S121-Q123 VanDerWaalsContact C-N 3.28Å; S121-Q123 PolarHBondContact O-N 2.9Å | ||
| 122 | I | 41.9 | Very low | 52.5 | Low | 146 Ų | 146 | 106.6 Ų | 106.6 | 75% | 0.749 | 60% | 0.597 | S | S | * | * | trans | -82.5 | 92.6 | 131.9 | -61.7 | 173.1 | 0 | 0 | 0 | 104.4 | ||||
| 123 | Q | 42.1 | Very low | 53 | Low | 155 Ų | 155 | 110.4 Ų | 110.4 | 72% | 0.724 | 62% | 0.619 | S | S | * | * | trans | -76.3 | 141.8 | 169.4 | -87.1 | 164.5 | -1.8 | 0 | 0 | 108.8 | S121 | S121-Q123 VanDerWaalsContact C-N 3.28Å; S121-Q123 PolarHBondContact O-N 2.9Å | ||
| 124 | S | 36.9 | Very low | 52.7 | Low | 112 Ų | 112 | 120.9 Ų | 120.9 | 78% | 0.783 | 67% | 0.667 | S | S | * | * | trans | 62.2 | 89.5 | 166.1 | 54.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 125 | I | 58.1 | Low | 52.3 | Low | 98 Ų | 98 | 125.5 Ų | 125.5 | 50% | 0.503 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -77.9 | 128.4 | 146 | -56.9 | 170.2 | 0 | 0 | 0 | 106.1 | Q51 | Q51-I125 HydrophobicContact CG-CD1 4.49Š|
| 126 | P | 56.6 | Low | 52 | Low | 99 Ų | 99 | 126.8 Ų | 126.8 | 64% | 0.643 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 152.2 | 175.5 | 28.4 | -34.2 | 0 | 0 | 0 | 110.4 | V128 | P126-V128 PolarHBondContact O-N 3.34Š|
| 127 | P | 55.1 | Low | 51.8 | Low | 121 Ų | 121 | 126.5 Ų | 126.5 | 79% | 0.786 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 126.5 | 178.2 | 25.9 | -33.5 | 0 | 0 | 0 | 109.5 | S129 | P127-S129 PolarHBondContact O-N 3.31Š|
| 128 | V | 58.2 | Low | 51.6 | Low | 120 Ų | 120 | 132.7 Ų | 132.7 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -63.2 | 104.4 | 166.7 | -178.1 | 0 | 0 | 0 | 0 | 106.5 | P126 Y130 | P126-V128 PolarHBondContact O-N 3.34Å; V128-Y130 PolarHBondContact O-N 3.02Å | ||
| 129 | S | 48.8 | Very low | 52.4 | Low | 102 Ų | 102 | 134.6 Ų | 134.6 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | trans | -71.3 | 104.4 | 170 | 55.9 | 0 | 0 | 0 | 0 | 108 | P127 T131 | P127-S129 PolarHBondContact O-N 3.31Å; S129-T131 PolarHBondContact O-N 3.29Å | ||
| 130 | Y | 61.6 | Low | 52.9 | Low | 176 Ų | 176 | 138.5 Ų | 138.5 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | trans | -74.3 | 111.2 | 164.1 | -170.1 | -88.7 | 0 | 0 | 0 | 107.4 | V128 Y132 | V128-Y130 PolarHBondContact O-N 3.02Å; Y130-Y132 AromaticContact CD1-CD2 3.48Å; Y130-Y132 HydrophobicContact CD1-CD2 3.48Å; Y130-Y132 VanDerWaalsContact CD1-CD2 3.48Å; Y130-Y132 HydrophobicContact CD1-CE2 4.01Å; Y130-Y132 HydrophobicContact CD1-CG 4.21Å; Y130-Y132 HydrophobicContact CE1-CD1 4.49Å; Y130-Y132 AromaticContact CE1-CD2 3.22Å; Y130-Y132 HydrophobicContact CE1-CD2 3.22Å; Y130-Y132 AromaticContact CE1-CE2 3.5Å; Y130-Y132 HydrophobicContact CE1-CE2 3.5Å; Y130-Y132 VanDerWaalsContact CE1-CE2 3.5Å; Y130-Y132 AromaticContact CE1-CG 3.76Å; Y130-Y132 HydrophobicContact CE1-CG 3.76Å; Y130-Y132 PolarHBondContact O-N 3.45Å | ||
| 131 | T | 66 | Low | 54 | Low | 114 Ų | 114 | 135.9 Ų | 135.9 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | -80.9 | 110.9 | 165.2 | 45.6 | 0 | 0 | 0 | 0 | 106.7 | S129 V133 | S129-T131 PolarHBondContact O-N 3.29Å; T131-V133 PolarHBondContact O-N 2.89Å | ||
| 132 | Y | 65 | Low | 55.8 | Low | 191 Ų | 191 | 140.2 Ų | 140.2 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | -69.6 | 118.9 | 163.6 | -117.5 | -87.7 | 0 | 0 | 0 | 106.3 | Y130 E134 | Y130-Y132 AromaticContact CD1-CD2 3.48Å; Y130-Y132 HydrophobicContact CD1-CD2 3.48Å; Y130-Y132 VanDerWaalsContact CD1-CD2 3.48Å; Y130-Y132 HydrophobicContact CD1-CE2 4.01Å; Y130-Y132 HydrophobicContact CD1-CG 4.21Å; Y130-Y132 HydrophobicContact CE1-CD1 4.49Å; Y130-Y132 AromaticContact CE1-CD2 3.22Å; Y130-Y132 HydrophobicContact CE1-CD2 3.22Å; Y130-Y132 AromaticContact CE1-CE2 3.5Å; Y130-Y132 HydrophobicContact CE1-CE2 3.5Å; Y130-Y132 VanDerWaalsContact CE1-CE2 3.5Å; Y130-Y132 AromaticContact CE1-CG 3.76Å; Y130-Y132 HydrophobicContact CE1-CG 3.76Å; Y130-Y132 PolarHBondContact O-N 3.45Å; Y132-E134 PolarHBondContact O-N 2.96Å | ||
| 133 | V | 72.8 | Confident | 56.9 | Low | 134 Ų | 134 | 139.8 Ų | 139.8 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | -71.5 | 111.7 | 164.8 | -179.4 | 0 | 0 | 0 | 0 | 105.8 | T131 | T131-V133 PolarHBondContact O-N 2.89Š| ||
| 134 | E | 61.8 | Low | 58.3 | Low | 255 Ų | 255 | 138.4 Ų | 138.4 | 100% | 1.192 | 75% | 0.754 | S | S | * | * | trans | -72.9 | 0 | 163.8 | -72.6 | -172.2 | 142.7 | 0 | 0 | 111.2 | Y132 | Y132-E134 PolarHBondContact O-N 2.96Š|
Retrieved 134 of 134 residues in 26 ms
(Link to these results)