| 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 | 66.1 | Low | 83.7 | Confident | 164 Ų | 164 | 117.9 Ų | 117.9 | 81% | 0.808 | 58% | 0.578 | S | S | * | * | 0 | 122 | 0 | -88.8 | -93.2 | 151.1 | 0 | 0 | 106.4 | D5 R9 | M1-D5 HydrophobicContact SD-CB 3.97Å; M1-R9 VanDerWaalsContact SD-CD 3.56Å; M1-R9 PolarHBondContact SD-NH1 3.35Å | |||
| 2 | D | 91.6 | Very high | 83.5 | Confident | 94 Ų | 94 | 114.1 Ų | 114.1 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | trans | -70.4 | 156.6 | 177.7 | 178.5 | 29.7 | 0 | 0 | 0 | 110.9 | H4 D5 L6 | D2-H4 PolarHBondContact O-N 3.5Å; D2-H4 IonicContact OD2-CD2 3.32Å; D2-H4 PolarHBondContact OD2-CD2 3.13Å; D2-H4 IonicContact OD2-CG 3.42Å; D2-D5 HydrophobicContact CB-CB 4.31Å; D2-D5 WeakPolarHBondContact O-CB 3.24Å; D2-D5 PolarHBondContact O-N 3.2Å; D2-D5 VanDerWaalsContact O-N 3.1Å; D2-L6 PolarHBondContact O-N 3.29Å | ||
| 3 | V | 85.8 | Confident | 82.9 | Confident | 89 Ų | 89 | 111.1 Ų | 111.1 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -57.8 | -41.1 | 179 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | L6 F7 | V3-L6 WeakPolarHBondContact O-CB 3.48Å; V3-L6 PolarHBondContact O-N 3.16Å; V3-F7 HydrophobicContact CG1-CD2 4.04Å; V3-F7 HydrophobicContact CG1-CE2 3.56Å; V3-F7 WeakPolarHBondContact O-CD2 3.49Å; V3-F7 PolarHBondContact O-N 2.71Å |
| 4 | H | 86.4 | Confident | 82.7 | Confident | 131 Ų | 131 | 109.1 Ų | 109.1 | 61% | 0.606 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.2 | -40.5 | 176.5 | -64.4 | -64.5 | 0 | 0 | 0 | 112.1 | D2 L6 F7 R8 | D2-H4 PolarHBondContact O-N 3.5Å; D2-H4 IonicContact OD2-CD2 3.32Å; D2-H4 PolarHBondContact OD2-CD2 3.13Å; D2-H4 IonicContact OD2-CG 3.42Å; H4-L6 VanDerWaalsContact C-N 3.3Å; H4-L6 PolarHBondContact O-N 3.49Å; H4-F7 PolarHBondContact O-N 2.76Å; H4-R8 VanDerWaalsContact O-CG 3.24Å; H4-R8 WeakPolarHBondContact O-CG 3.07Å; H4-R8 PolarHBondContact O-N 3.29Å |
| 5 | D | 88.9 | Confident | 82.3 | Confident | 80 Ų | 80 | 114.9 Ų | 114.9 | 43% | 0.428 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.5 | -35.7 | 176.1 | -105.6 | 8.2 | 0 | 0 | 0 | 112.2 | M1 D2 R8 R9 | M1-D5 HydrophobicContact SD-CB 3.97Å; D2-D5 HydrophobicContact CB-CB 4.31Å; D2-D5 WeakPolarHBondContact O-CB 3.24Å; D2-D5 PolarHBondContact O-N 3.2Å; D2-D5 VanDerWaalsContact O-N 3.1Å; D5-R8 PolarHBondContact O-N 2.62Å; D5-R9 WeakPolarHBondContact O-CB 3.44Å; D5-R9 VanDerWaalsContact O-CG 3.26Å; D5-R9 WeakPolarHBondContact O-CG 2.96Å; D5-R9 PolarHBondContact O-N 3.25Å |
| 6 | L | 87.1 | Confident | 81.5 | Confident | 87 Ų | 87 | 116.2 Ų | 116.2 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.7 | -50.7 | 174.7 | -178.4 | 62.9 | 0 | 0 | 0 | 111.2 | D2 V3 H4 R8 R9 L10 | D2-L6 PolarHBondContact O-N 3.29Å; V3-L6 WeakPolarHBondContact O-CB 3.48Å; V3-L6 PolarHBondContact O-N 3.16Å; H4-L6 VanDerWaalsContact C-N 3.3Å; H4-L6 PolarHBondContact O-N 3.49Å; L6-R8 VanDerWaalsContact C-N 3.32Å; L6-R8 PolarHBondContact O-N 2.91Å; L6-R9 PolarHBondContact O-N 3.03Å; L6-L10 HydrophobicContact CD1-CD1 4.04Å; L6-L10 HydrophobicContact CD1-CG 4.14Å; L6-L10 HydrophobicContact CG-CD1 3.83Å; L6-L10 HydrophobicContact CG-CG 4.34Å; L6-L10 WeakPolarHBondContact O-CB 3.39Å; L6-L10 VanDerWaalsContact O-CG 3.23Å; L6-L10 WeakPolarHBondContact O-CG 3.16Å; L6-L10 PolarHBondContact O-N 3.44Å |
| 7 | F | 84.1 | Confident | 81.6 | Confident | 130 Ų | 130 | 112.6 Ų | 112.6 | 57% | 0.57 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.2 | -36.3 | 177.9 | -70.5 | -66.9 | 0 | 0 | 0 | 112.9 | V3 H4 R9 G11 | V3-F7 HydrophobicContact CG1-CD2 4.04Å; V3-F7 HydrophobicContact CG1-CE2 3.56Å; V3-F7 WeakPolarHBondContact O-CD2 3.49Å; V3-F7 PolarHBondContact O-N 2.71Å; H4-F7 PolarHBondContact O-N 2.76Å; F7-R9 VanDerWaalsContact C-N 3.35Å; F7-G11 PolarHBondContact O-N 2.99Å |
| 8 | R | 85.2 | Confident | 81 | Confident | 192 Ų | 192 | 112 Ų | 112 | 73% | 0.725 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.9 | -41.5 | 175.6 | -68.7 | -69 | 166.9 | -119.2 | -3.1 | 111.3 | H4 D5 L6 A12 | H4-R8 VanDerWaalsContact O-CG 3.24Å; H4-R8 WeakPolarHBondContact O-CG 3.07Å; H4-R8 PolarHBondContact O-N 3.29Å; D5-R8 PolarHBondContact O-N 2.62Å; L6-R8 VanDerWaalsContact C-N 3.32Å; L6-R8 PolarHBondContact O-N 2.91Å; R8-A12 WeakPolarHBondContact O-CA 3.39Å; R8-A12 WeakPolarHBondContact O-CB 2.87Å; R8-A12 PolarHBondContact O-N 3.49Å |
| 9 | R | 85.1 | Confident | 81 | Confident | 158 Ų | 158 | 117.3 Ų | 117.3 | 60% | 0.596 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.8 | -39.9 | 177.2 | -70.6 | 174.2 | 70.4 | -155 | -0.2 | 112.9 | M1 D5 L6 F7 G11 A12 | M1-R9 VanDerWaalsContact SD-CD 3.56Å; M1-R9 PolarHBondContact SD-NH1 3.35Å; D5-R9 WeakPolarHBondContact O-CB 3.44Å; D5-R9 VanDerWaalsContact O-CG 3.26Å; D5-R9 WeakPolarHBondContact O-CG 2.96Å; D5-R9 PolarHBondContact O-N 3.25Å; L6-R9 PolarHBondContact O-N 3.03Å; F7-R9 VanDerWaalsContact C-N 3.35Å; R9-G11 VanDerWaalsContact C-N 3.32Å; R9-G11 PolarHBondContact O-N 3.05Å; R9-A12 PolarHBondContact O-N 2.75Å |
| 10 | L | 83.3 | Confident | 81.3 | Confident | 127 Ų | 127 | 121.7 Ų | 121.7 | 67% | 0.665 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.9 | -36.5 | 176.9 | -71.2 | 172.5 | 0 | 0 | 0 | 112.1 | L6 | L6-L10 HydrophobicContact CD1-CD1 4.04Å; L6-L10 HydrophobicContact CD1-CG 4.14Å; L6-L10 HydrophobicContact CG-CD1 3.83Å; L6-L10 HydrophobicContact CG-CG 4.34Å; L6-L10 WeakPolarHBondContact O-CB 3.39Å; L6-L10 VanDerWaalsContact O-CG 3.23Å; L6-L10 WeakPolarHBondContact O-CG 3.16Å; L6-L10 PolarHBondContact O-N 3.44Å |
| 11 | G | 76.6 | Confident | 81.3 | Confident | 45 Ų | 45 | 120 Ų | 120 | 46% | 0.464 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -89.3 | -8.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | F7 R9 G13 A14 | F7-G11 PolarHBondContact O-N 2.99Å; R9-G11 VanDerWaalsContact C-N 3.32Å; R9-G11 PolarHBondContact O-N 3.05Å; G11-G13 PolarHBondContact O-N 2.77Å; G11-A14 WeakPolarHBondContact O-CB 3.26Å; G11-A14 PolarHBondContact O-N 2.93Å |
| 12 | A | 81.7 | Confident | 82 | Confident | 72 Ų | 72 | 115.5 Ų | 115.5 | 60% | 0.595 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 121.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | R8 R9 A14 | R8-A12 WeakPolarHBondContact O-CA 3.39Å; R8-A12 WeakPolarHBondContact O-CB 2.87Å; R8-A12 PolarHBondContact O-N 3.49Å; R9-A12 PolarHBondContact O-N 2.75Å; A12-A14 VanDerWaalsContact C-N 3.27Å; A12-A14 PolarHBondContact O-N 3.16Å |
| 13 | G | 75.4 | Confident | 81.6 | Confident | 75 Ų | 75 | 114.5 Ų | 114.5 | 77% | 0.773 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.2 | 5.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G11 K15 | G11-G13 PolarHBondContact O-N 2.77Å; G13-K15 PolarHBondContact O-N 3.37Å |
| 14 | A | 80.6 | Confident | 81.6 | Confident | 83 Ų | 83 | 113.2 Ų | 113.2 | 69% | 0.686 | 59% | 0.586 | S | S | * | * | trans | -64.6 | 107 | 169 | 0 | 0 | 0 | 0 | 0 | 109.4 | G11 A12 | G11-A14 WeakPolarHBondContact O-CB 3.26Å; G11-A14 PolarHBondContact O-N 2.93Å; A12-A14 VanDerWaalsContact C-N 3.27Å; A12-A14 PolarHBondContact O-N 3.16Å | ||
| 15 | K | 76.9 | Confident | 81.3 | Confident | 197 Ų | 197 | 108.5 Ų | 108.5 | 86% | 0.857 | 57% | 0.569 | S | S | * | * | trans | -94.1 | 116.7 | 175.5 | -61 | -178.2 | 80.4 | 171.1 | 0 | 108 | G13 D17 | G13-K15 PolarHBondContact O-N 3.37Å; K15-D17 PolarHBondContact O-N 3.28Å | ||
| 16 | F | 69.8 | Low | 80.8 | Confident | 135 Ų | 135 | 107.9 Ų | 107.9 | 59% | 0.592 | 58% | 0.576 | S | S | * | * | trans | -71.3 | 116.3 | 172.3 | -167 | -102.9 | 0 | 0 | 0 | 109 | T18 F21 | F16-T18 HydrophobicContact CD1-CG2 4.35Å; F16-T18 PolarHBondContact O-N 3.13Å; F16-T18 VanDerWaalsContact O-N 3.16Å; F16-F21 HydrophobicContact CD1-CB 4.38Å; F16-F21 HydrophobicContact CD1-CD2 4.46Å; F16-F21 AromaticContact CD2-CD2 3.94Å; F16-F21 HydrophobicContact CD2-CD2 3.94Å; F16-F21 HydrophobicContact CD2-CE2 4.3Å; F16-F21 HydrophobicContact CD2-CG 4.35Å; F16-F21 HydrophobicContact CE1-CB 3.43Å; F16-F21 VanDerWaalsContact CE1-CB 3.43Å; F16-F21 HydrophobicContact CE1-CD2 4.19Å; F16-F21 HydrophobicContact CE1-CG 4.03Å; F16-F21 HydrophobicContact CE2-CB 3.86Å; F16-F21 HydrophobicContact CE2-CD1 4.02Å; F16-F21 AromaticContact CE2-CD2 3.62Å; F16-F21 HydrophobicContact CE2-CD2 3.62Å; F16-F21 HydrophobicContact CE2-CE1 4.49Å; F16-F21 HydrophobicContact CE2-CE2 4.16Å; F16-F21 AromaticContact CE2-CG 3.56Å; F16-F21 HydrophobicContact CE2-CG 3.56Å; F16-F21 HydrophobicContact CG-CD2 4.38Å; F16-F21 HydrophobicContact CZ-CB 3.12Å; F16-F21 HydrophobicContact CZ-CD1 4.06Å; F16-F21 AromaticContact CZ-CD2 3.79Å; F16-F21 HydrophobicContact CZ-CD2 3.79Å; F16-F21 AromaticContact CZ-CG 3.41Å; F16-F21 HydrophobicContact CZ-CG 3.41Å; F16-F21 VanDerWaalsContact CZ-CG 3.41Å | ||
| 17 | D | 81.9 | Confident | 80.7 | Confident | 56 Ų | 56 | 112.5 Ų | 112.5 | 30% | 0.299 | 59% | 0.587 | S | S | . | * | trans | -79.8 | 97.7 | 176.8 | -175.3 | -12.8 | 0 | 0 | 0 | 109.5 | K15 R19 R20 F21 | K15-D17 PolarHBondContact O-N 3.28Å; D17-R19 PolarHBondContact O-N 3.43Å; D17-R19 VanDerWaalsContact O-N 3.1Å; D17-R19 VanDerWaalsContact OD1-CB 3.32Å; D17-R19 WeakPolarHBondContact OD1-CB 3.42Å; D17-R19 PolarHBondContact OD1-N 3.22Å; D17-R20 HydrophobicContact CB-CB 4.04Å; D17-R20 HydrophobicContact CB-CG 4.16Å; D17-R20 PolarHBondContact O-N 3.43Å; D17-R20 VanDerWaalsContact O-N 3.12Å; D17-R20 PolarHBondContact OD1-N 2.85Å; D17-R20 WeakPolarHBondContact OD2-CD 3.46Å; D17-R20 WeakPolarHBondContact OD2-CG 3.36Å; D17-R20 IonicContact OD2-NE 3.89Å; D17-R20 PolarHBondContact OD2-NE 3.43Å; D17-F21 VanDerWaalsContact O-CD2 3.28Å; D17-F21 WeakPolarHBondContact O-CD2 3.48Å; D17-F21 PolarHBondContact O-N 3.31Å | ||
| 18 | T | 71.7 | Confident | 80.4 | Confident | 101 Ų | 101 | 112.9 Ų | 112.9 | 62% | 0.62 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -24.2 | -179.6 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | F16 S22 | F16-T18 HydrophobicContact CD1-CG2 4.35Å; F16-T18 PolarHBondContact O-N 3.13Å; F16-T18 VanDerWaalsContact O-N 3.16Å; T18-S22 VanDerWaalsContact O-CA 3.31Å; T18-S22 WeakPolarHBondContact O-CA 3.21Å; T18-S22 WeakPolarHBondContact O-CB 3.24Å; T18-S22 PolarHBondContact O-N 3.4Å |
| 19 | R | 81.5 | Confident | 79.5 | Confident | 212 Ų | 212 | 109.7 Ų | 109.7 | 80% | 0.8 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -48.2 | 176.1 | -61.9 | 174.9 | 61.3 | -170 | -1.9 | 110.4 | D17 F21 S22 | D17-R19 PolarHBondContact O-N 3.43Å; D17-R19 VanDerWaalsContact O-N 3.1Å; D17-R19 VanDerWaalsContact OD1-CB 3.32Å; D17-R19 WeakPolarHBondContact OD1-CB 3.42Å; D17-R19 PolarHBondContact OD1-N 3.22Å; R19-F21 VanDerWaalsContact C-N 3.35Å; R19-F21 PolarHBondContact O-N 3.48Å; R19-S22 PolarHBondContact O-N 3.01Å; R19-S22 PolarHBondContact O-OG 2.96Å |
| 20 | R | 85.3 | Confident | 78.5 | Confident | 205 Ų | 205 | 108.6 Ų | 108.6 | 77% | 0.774 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -37.6 | 179.4 | -73.3 | 176.5 | 178.8 | -168.7 | -3.8 | 112.9 | D17 | D17-R20 HydrophobicContact CB-CB 4.04Å; D17-R20 HydrophobicContact CB-CG 4.16Å; D17-R20 PolarHBondContact O-N 3.43Å; D17-R20 VanDerWaalsContact O-N 3.12Å; D17-R20 PolarHBondContact OD1-N 2.85Å; D17-R20 WeakPolarHBondContact OD2-CD 3.46Å; D17-R20 WeakPolarHBondContact OD2-CG 3.36Å; D17-R20 IonicContact OD2-NE 3.89Å; D17-R20 PolarHBondContact OD2-NE 3.43Å |
| 21 | F | 82.1 | Confident | 77.5 | Confident | 88 Ų | 88 | 104.9 Ų | 104.9 | 39% | 0.386 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.2 | 11.8 | -177 | -63.7 | -80.5 | 0 | 0 | 0 | 113.6 | F16 D17 R19 A23 D24 A25 | F16-F21 HydrophobicContact CD1-CB 4.38Å; F16-F21 HydrophobicContact CD1-CD2 4.46Å; F16-F21 AromaticContact CD2-CD2 3.94Å; F16-F21 HydrophobicContact CD2-CD2 3.94Å; F16-F21 HydrophobicContact CD2-CE2 4.3Å; F16-F21 HydrophobicContact CD2-CG 4.35Å; F16-F21 HydrophobicContact CE1-CB 3.43Å; F16-F21 VanDerWaalsContact CE1-CB 3.43Å; F16-F21 HydrophobicContact CE1-CD2 4.19Å; F16-F21 HydrophobicContact CE1-CG 4.03Å; F16-F21 HydrophobicContact CE2-CB 3.86Å; F16-F21 HydrophobicContact CE2-CD1 4.02Å; F16-F21 AromaticContact CE2-CD2 3.62Å; F16-F21 HydrophobicContact CE2-CD2 3.62Å; F16-F21 HydrophobicContact CE2-CE1 4.49Å; F16-F21 HydrophobicContact CE2-CE2 4.16Å; F16-F21 AromaticContact CE2-CG 3.56Å; F16-F21 HydrophobicContact CE2-CG 3.56Å; F16-F21 HydrophobicContact CG-CD2 4.38Å; F16-F21 HydrophobicContact CZ-CB 3.12Å; F16-F21 HydrophobicContact CZ-CD1 4.06Å; F16-F21 AromaticContact CZ-CD2 3.79Å; F16-F21 HydrophobicContact CZ-CD2 3.79Å; F16-F21 AromaticContact CZ-CG 3.41Å; F16-F21 HydrophobicContact CZ-CG 3.41Å; F16-F21 VanDerWaalsContact CZ-CG 3.41Å; D17-F21 VanDerWaalsContact O-CD2 3.28Å; D17-F21 WeakPolarHBondContact O-CD2 3.48Å; D17-F21 PolarHBondContact O-N 3.31Å; R19-F21 VanDerWaalsContact C-N 3.35Å; R19-F21 PolarHBondContact O-N 3.48Å; F21-A23 VanDerWaalsContact C-N 3.35Å; F21-A23 PolarHBondContact O-N 2.93Å; F21-D24 PolarHBondContact O-N 3.24Å; F21-A25 WeakPolarHBondContact O-CB 3.28Å; F21-A25 PolarHBondContact O-N 3.37Å |
| 22 | S | 80.6 | Confident | 77 | Confident | 69 Ų | 69 | 112.9 Ų | 112.9 | 48% | 0.483 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -57.9 | -45.7 | 179.3 | 51.1 | 0 | 0 | 0 | 0 | 112.4 | T18 R19 D24 A25 A26 | T18-S22 VanDerWaalsContact O-CA 3.31Å; T18-S22 WeakPolarHBondContact O-CA 3.21Å; T18-S22 WeakPolarHBondContact O-CB 3.24Å; T18-S22 PolarHBondContact O-N 3.4Å; R19-S22 PolarHBondContact O-N 3.01Å; R19-S22 PolarHBondContact O-OG 2.96Å; S22-D24 VanDerWaalsContact C-N 3.32Å; S22-D24 PolarHBondContact O-N 3.41Å; S22-A25 PolarHBondContact O-N 3.02Å; S22-A26 PolarHBondContact O-N 3.34Å; S22-A26 VanDerWaalsContact O-N 3.07Å |
| 23 | A | 84.1 | Confident | 75.9 | Confident | 72 Ų | 72 | 117 Ų | 117 | 60% | 0.595 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F21 A26 R27 | F21-A23 VanDerWaalsContact C-N 3.35Å; F21-A23 PolarHBondContact O-N 2.93Å; A23-A26 WeakPolarHBondContact O-CB 3.14Å; A23-A26 PolarHBondContact O-N 2.98Å; A23-R27 PolarHBondContact O-N 3.23Å |
| 24 | D | 84.9 | Confident | 75.3 | Confident | 62 Ų | 62 | 122 Ų | 122 | 33% | 0.332 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71 | -39.3 | 178.4 | -113.3 | 29.1 | 0 | 0 | 0 | 111.9 | F21 S22 A26 R27 F28 | F21-D24 PolarHBondContact O-N 3.24Å; S22-D24 VanDerWaalsContact C-N 3.32Å; S22-D24 PolarHBondContact O-N 3.41Å; D24-A26 PolarHBondContact O-N 3.03Å; D24-R27 VanDerWaalsContact O-CB 3.28Å; D24-R27 WeakPolarHBondContact O-CB 3.21Å; D24-R27 PolarHBondContact O-N 3.28Å; D24-R27 WeakPolarHBondContact OD1-CD 3.32Å; D24-R27 IonicContact OD1-CZ 3.72Å; D24-R27 IonicContact OD1-NE 3.89Å; D24-R27 IonicContact OD1-NH1 2.78Å; D24-R27 PolarHBondContact OD1-NH1 2.92Å; D24-R27 IonicContact OD2-NH1 3.91Å; D24-F28 WeakPolarHBondContact O-CD2 3.31Å; D24-F28 PolarHBondContact O-N 3.32Å |
| 25 | A | 79.7 | Confident | 74.2 | Confident | 32 Ų | 32 | 127.4 Ų | 127.4 | 26% | 0.264 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.2 | -31.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F21 S22 F28 Q29 I30 | F21-A25 WeakPolarHBondContact O-CB 3.28Å; F21-A25 PolarHBondContact O-N 3.37Å; S22-A25 PolarHBondContact O-N 3.02Å; A25-F28 PolarHBondContact O-N 3.49Å; A25-Q29 PolarHBondContact O-N 3.48Å; A25-I30 PolarHBondContact O-N 2.78Å |
| 26 | A | 79.8 | Confident | 73.2 | Confident | 68 Ų | 68 | 124.8 Ų | 124.8 | 56% | 0.562 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.5 | -36.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | S22 A23 D24 F28 Q29 | S22-A26 PolarHBondContact O-N 3.34Å; S22-A26 VanDerWaalsContact O-N 3.07Å; A23-A26 WeakPolarHBondContact O-CB 3.14Å; A23-A26 PolarHBondContact O-N 2.98Å; D24-A26 PolarHBondContact O-N 3.03Å; A26-F28 VanDerWaalsContact C-N 3.31Å; A26-F28 PolarHBondContact O-N 3Å; A26-Q29 PolarHBondContact O-N 3.1Å |
| 27 | R | 83.6 | Confident | 72.6 | Confident | 183 Ų | 183 | 124 Ų | 124 | 69% | 0.691 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63 | -37.6 | 176.3 | -61.4 | 167.4 | 66.6 | -168.5 | 0.6 | 112.1 | A23 D24 Q29 | A23-R27 PolarHBondContact O-N 3.23Å; D24-R27 VanDerWaalsContact O-CB 3.28Å; D24-R27 WeakPolarHBondContact O-CB 3.21Å; D24-R27 PolarHBondContact O-N 3.28Å; D24-R27 WeakPolarHBondContact OD1-CD 3.32Å; D24-R27 IonicContact OD1-CZ 3.72Å; D24-R27 IonicContact OD1-NE 3.89Å; D24-R27 IonicContact OD1-NH1 2.78Å; D24-R27 PolarHBondContact OD1-NH1 2.92Å; D24-R27 IonicContact OD2-NH1 3.91Å; R27-Q29 PolarHBondContact O-N 3.12Å |
| 28 | F | 77.9 | Confident | 71.6 | Confident | 139 Ų | 139 | 127.1 Ų | 127.1 | 61% | 0.61 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -0.9 | 175.7 | -61.9 | -74.7 | 0 | 0 | 0 | 113.4 | D24 A25 A26 I30 | D24-F28 WeakPolarHBondContact O-CD2 3.31Å; D24-F28 PolarHBondContact O-N 3.32Å; A25-F28 PolarHBondContact O-N 3.49Å; A26-F28 VanDerWaalsContact C-N 3.31Å; A26-F28 PolarHBondContact O-N 3Å; F28-I30 HydrophobicContact CB-CD1 3.44Å; F28-I30 VanDerWaalsContact CB-CD1 3.44Å; F28-I30 HydrophobicContact CB-CG1 3.56Å; F28-I30 HydrophobicContact CG-CD1 4.17Å; F28-I30 WeakPolarHBondContact O-CG1 3.19Å; F28-I30 PolarHBondContact O-N 3.43Å |
| 29 | Q | 66.1 | Low | 71.1 | Confident | 124 Ų | 124 | 124.3 Ų | 124.3 | 58% | 0.579 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.1 | 29.7 | -176.1 | -54.6 | 176.4 | 30.9 | 0 | 0 | 113.1 | A25 A26 R27 G31 | A25-Q29 PolarHBondContact O-N 3.48Å; A26-Q29 PolarHBondContact O-N 3.1Å; R27-Q29 PolarHBondContact O-N 3.12Å; Q29-G31 VanDerWaalsContact C-N 3.33Å |
| 30 | I | 64.2 | Low | 70.2 | Confident | 136 Ų | 136 | 117.7 Ų | 117.7 | 70% | 0.697 | 59% | 0.585 | S | S | * | * | trans | -81.7 | -17.4 | -179.1 | -59 | 170.1 | 0 | 0 | 0 | 110.7 | A25 F28 | A25-I30 PolarHBondContact O-N 2.78Å; F28-I30 HydrophobicContact CB-CD1 3.44Å; F28-I30 VanDerWaalsContact CB-CD1 3.44Å; F28-I30 HydrophobicContact CB-CG1 3.56Å; F28-I30 HydrophobicContact CG-CD1 4.17Å; F28-I30 WeakPolarHBondContact O-CG1 3.19Å; F28-I30 PolarHBondContact O-N 3.43Å | ||
| 31 | G | 63.1 | Low | 69.2 | Low | 48 Ų | 48 | 114.5 Ų | 114.5 | 50% | 0.495 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -68.6 | 145 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q29 R33 | Q29-G31 VanDerWaalsContact C-N 3.33Å; G31-R33 VanDerWaalsContact C-N 3.33Å; G31-R33 PolarHBondContact O-N 3.35Å |
| 32 | K | 65.3 | Low | 68.4 | Low | 214 Ų | 214 | 114.1 Ų | 114.1 | 93% | 0.93 | 58% | 0.583 | S | S | * | * | trans | -41.4 | 90.7 | 177.3 | -69.4 | -98.8 | -173.2 | 177.3 | 0 | 111.1 | K34 | K32-K34 PolarHBondContact O-N 3.43Š| ||
| 33 | R | 60.3 | Low | 67.7 | Low | 158 Ų | 158 | 116 Ų | 116 | 60% | 0.596 | 59% | 0.587 | S | S | * | * | trans | -56.7 | 130.2 | 160.9 | -87 | -173.2 | -84 | 152.2 | -7.5 | 105.8 | G31 Y35 | G31-R33 VanDerWaalsContact C-N 3.33Å; G31-R33 PolarHBondContact O-N 3.35Å; R33-Y35 PolarHBondContact O-N 2.8Å | ||
| 34 | K | 62.1 | Low | 66.9 | Low | 180 Ų | 180 | 117.8 Ų | 117.8 | 78% | 0.783 | 58% | 0.583 | S | S | * | * | trans | -53.1 | 126 | 162 | -66.4 | -74.9 | -177.4 | 168 | 0 | 105.2 | K32 D36 | K32-K34 PolarHBondContact O-N 3.43Å; K34-D36 PolarHBondContact O-N 3.46Å | ||
| 35 | Y | 56.4 | Low | 66.1 | Low | 197 Ų | 197 | 118.2 Ų | 118.2 | 77% | 0.773 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -72.3 | 66.9 | -172.2 | -177.8 | -96.9 | 0 | 0 | 0 | 108.4 | R33 | R33-Y35 PolarHBondContact O-N 2.8Š|
| 36 | D | 57.1 | Low | 65.9 | Low | 141 Ų | 141 | 121.5 Ų | 121.5 | 75% | 0.754 | 62% | 0.615 | S | S | * | * | trans | -129.6 | 25.2 | 179 | -57.4 | -49.5 | 0 | 0 | 0 | 109.7 | K34 | K34-D36 PolarHBondContact O-N 3.46Š| ||
| 37 | F | 57.9 | Low | 65.8 | Low | 119 Ų | 119 | 120.4 Ų | 120.4 | 52% | 0.522 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -92 | 107 | 160.4 | -163.7 | -108.9 | 0 | 0 | 0 | 104.4 | S39 V42 | F37-S39 WeakPolarHBondContact O-CA 3.36Å; F37-S39 PolarHBondContact O-N 3.07Å; F37-V42 HydrophobicContact CD1-CB 4.4Å; F37-V42 HydrophobicContact CD1-CG2 4.15Å; F37-V42 HydrophobicContact CE1-CB 3.55Å; F37-V42 HydrophobicContact CE1-CG1 3.89Å; F37-V42 HydrophobicContact CE1-CG2 3.09Å; F37-V42 HydrophobicContact CZ-CB 4.27Å; F37-V42 HydrophobicContact CZ-CG2 3.33Å |
| 38 | D | 60.5 | Low | 65.6 | Low | 121 Ų | 121 | 119.6 Ų | 119.6 | 65% | 0.647 | 60% | 0.601 | S | S | * | * | trans | -51.3 | 88.5 | 174.5 | -92.7 | -42.5 | 0 | 0 | 0 | 108.8 | S40 E41 | D38-S40 PolarHBondContact O-N 3.19Å; D38-S40 VanDerWaalsContact O-N 3.13Å; D38-E41 PolarHBondContact O-N 3.06Å | ||
| 39 | S | 60.9 | Low | 65.7 | Low | 42 Ų | 42 | 122 Ų | 122 | 29% | 0.294 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.6 | -18.3 | -169.4 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | F37 L43 | F37-S39 WeakPolarHBondContact O-CA 3.36Å; F37-S39 PolarHBondContact O-N 3.07Å; S39-L43 WeakPolarHBondContact O-CB 3.13Å; S39-L43 VanDerWaalsContact O-CD1 3.24Å; S39-L43 WeakPolarHBondContact O-CD1 3.41Å; S39-L43 WeakPolarHBondContact O-CG 3.23Å; S39-L43 PolarHBondContact O-N 3.3Å |
| 40 | S | 63 | Low | 66.2 | Low | 73 Ų | 73 | 119 Ų | 119 | 51% | 0.51 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -58.9 | -51.1 | 174.2 | 55.4 | 0 | 0 | 0 | 0 | 111.8 | D38 Q44 | D38-S40 PolarHBondContact O-N 3.19Å; D38-S40 VanDerWaalsContact O-N 3.13Å; S40-Q44 WeakPolarHBondContact O-CA 3.12Å; S40-Q44 WeakPolarHBondContact O-CB 3.48Å; S40-Q44 PolarHBondContact O-N 3.02Å |
| 41 | E | 63.3 | Low | 66.5 | Low | 139 Ų | 139 | 120 Ų | 120 | 65% | 0.65 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69.2 | -40.1 | -174.3 | -65.5 | -169.8 | 173.4 | 0 | 0 | 112.3 | D38 Q44 G45 | D38-E41 PolarHBondContact O-N 3.06Å; E41-Q44 WeakPolarHBondContact O-CA 3.28Å; E41-Q44 WeakPolarHBondContact O-CB 3.44Å; E41-Q44 PolarHBondContact O-N 3.46Å; E41-Q44 VanDerWaalsContact O-N 3.16Å; E41-G45 PolarHBondContact O-N 3.49Å |
| 42 | V | 64.8 | Low | 67.1 | Low | 79 Ų | 79 | 121.6 Ų | 121.6 | 48% | 0.479 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -76.3 | -33.9 | 178.9 | 174.5 | 0 | 0 | 0 | 0 | 112.8 | F37 Q44 G45 L46 | F37-V42 HydrophobicContact CD1-CB 4.4Å; F37-V42 HydrophobicContact CD1-CG2 4.15Å; F37-V42 HydrophobicContact CE1-CB 3.55Å; F37-V42 HydrophobicContact CE1-CG1 3.89Å; F37-V42 HydrophobicContact CE1-CG2 3.09Å; F37-V42 HydrophobicContact CZ-CB 4.27Å; F37-V42 HydrophobicContact CZ-CG2 3.33Å; V42-Q44 PolarHBondContact O-N 3.42Å; V42-G45 PolarHBondContact O-N 3.34Å; V42-L46 PolarHBondContact O-N 3.27Å |
| 43 | L | 66.3 | Low | 67.2 | Low | 109 Ų | 109 | 121.1 Ų | 121.1 | 57% | 0.571 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.8 | -24.2 | 168 | -64 | 170.5 | 0 | 0 | 0 | 111 | S39 L46 K52 | S39-L43 WeakPolarHBondContact O-CB 3.13Å; S39-L43 VanDerWaalsContact O-CD1 3.24Å; S39-L43 WeakPolarHBondContact O-CD1 3.41Å; S39-L43 WeakPolarHBondContact O-CG 3.23Å; S39-L43 PolarHBondContact O-N 3.3Å; L43-L46 PolarHBondContact O-N 3.43Å; L43-K52 PolarHBondContact O-NZ 3.24Å |
| 44 | Q | 67 | Low | 67.2 | Low | 110 Ų | 110 | 118.8 Ų | 118.8 | 51% | 0.514 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71 | -38.1 | 174.2 | -156.1 | 167.3 | 34.4 | 0 | 0 | 111.6 | S40 E41 V42 L46 K52 | S40-Q44 WeakPolarHBondContact O-CA 3.12Å; S40-Q44 WeakPolarHBondContact O-CB 3.48Å; S40-Q44 PolarHBondContact O-N 3.02Å; E41-Q44 WeakPolarHBondContact O-CA 3.28Å; E41-Q44 WeakPolarHBondContact O-CB 3.44Å; E41-Q44 PolarHBondContact O-N 3.46Å; E41-Q44 VanDerWaalsContact O-N 3.16Å; V42-Q44 PolarHBondContact O-N 3.42Å; Q44-L46 PolarHBondContact O-N 3.11Å; Q44-K52 VanDerWaalsContact C-NZ 3.33Å; Q44-K52 HydrophobicContact CG-CD 4.31Å; Q44-K52 WeakPolarHBondContact O-CE 3.43Å; Q44-K52 PolarHBondContact O-NZ 3.29Å |
| 45 | G | 69.4 | Low | 67.2 | Low | 71 Ų | 71 | 115.6 Ų | 115.6 | 73% | 0.732 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.4 | -15.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E41 V42 D47 | E41-G45 PolarHBondContact O-N 3.49Å; V42-G45 PolarHBondContact O-N 3.34Å; G45-D47 PolarHBondContact O-N 3.13Å |
| 46 | L | 75.4 | Confident | 67.1 | Low | 100 Ų | 100 | 112.3 Ų | 112.3 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | trans | -102 | 50.3 | -175.4 | -159.4 | 72.4 | 0 | 0 | 0 | 112.8 | V42 L43 Q44 F48 | V42-L46 PolarHBondContact O-N 3.27Å; L43-L46 PolarHBondContact O-N 3.43Å; Q44-L46 PolarHBondContact O-N 3.11Å; L46-F48 HydrophobicContact CD1-CD2 4.43Å; L46-F48 HydrophobicContact CD1-CE1 4.47Å; L46-F48 HydrophobicContact CD1-CE2 3.34Å; L46-F48 HydrophobicContact CD1-CZ 3.36Å; L46-F48 HydrophobicContact CD2-CE2 4.42Å; L46-F48 HydrophobicContact CG-CD2 4.36Å; L46-F48 HydrophobicContact CG-CE2 3.58Å; L46-F48 HydrophobicContact CG-CZ 4.14Å | ||
| 47 | D | 77.3 | Confident | 67.2 | Low | 46 Ų | 46 | 108.7 Ų | 108.7 | 25% | 0.246 | 61% | 0.614 | C | S | . | * | trans | -109.5 | 95.6 | 169.8 | -177.9 | 9.6 | 0 | 0 | 0 | 110.7 | G45 F49 G50 N51 K52 | G45-D47 PolarHBondContact O-N 3.13Å; D47-F49 VanDerWaalsContact C-N 3.26Å; D47-F49 PolarHBondContact OD1-N 3.36Å; D47-G50 PolarHBondContact OD1-N 2.96Å; D47-N51 PolarHBondContact OD2-N 3.3Å; D47-K52 HydrophobicContact CB-CD 4.14Å; D47-K52 VanDerWaalsContact CB-NZ 3.29Å; D47-K52 WeakPolarHBondContact OD2-CG 3.21Å; D47-K52 PolarHBondContact OD2-N 3.43Å | ||
| 48 | F | 79.1 | Confident | 66.9 | Low | 165 Ų | 165 | 109.6 Ų | 109.6 | 72% | 0.724 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -18 | 177 | -61.4 | -79 | 0 | 0 | 0 | 113.2 | L46 | L46-F48 HydrophobicContact CD1-CD2 4.43Å; L46-F48 HydrophobicContact CD1-CE1 4.47Å; L46-F48 HydrophobicContact CD1-CE2 3.34Å; L46-F48 HydrophobicContact CD1-CZ 3.36Å; L46-F48 HydrophobicContact CD2-CE2 4.42Å; L46-F48 HydrophobicContact CG-CD2 4.36Å; L46-F48 HydrophobicContact CG-CE2 3.58Å; L46-F48 HydrophobicContact CG-CZ 4.14Å |
| 49 | F | 80.9 | Confident | 66.6 | Low | 191 Ų | 191 | 110.3 Ų | 110.3 | 84% | 0.838 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | -1.4 | -174.3 | -62.5 | -78.3 | 0 | 0 | 0 | 112.5 | D47 N51 | D47-F49 VanDerWaalsContact C-N 3.26Å; D47-F49 PolarHBondContact OD1-N 3.36Å; F49-N51 VanDerWaalsContact C-N 3.28Å; F49-N51 PolarHBondContact O-N 3.1Å |
| 50 | G | 75 | Confident | 65.9 | Low | 59 Ų | 59 | 110.8 Ų | 110.8 | 61% | 0.608 | 65% | 0.653 | S | S | * | * | trans | 63.8 | 28.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D47 K52 | D47-G50 PolarHBondContact OD1-N 2.96Å; G50-K52 VanDerWaalsContact C-N 3.31Å; G50-K52 PolarHBondContact O-N 2.85Å | ||
| 51 | N | 72.3 | Confident | 65.4 | Low | 157 Ų | 157 | 111.4 Ų | 111.4 | 84% | 0.84 | 66% | 0.663 | S | S | * | * | trans | -80.7 | -12.7 | -169.7 | -139.7 | 10.6 | 0 | 0 | 0 | 113 | D47 F49 | D47-N51 PolarHBondContact OD2-N 3.3Å; F49-N51 VanDerWaalsContact C-N 3.28Å; F49-N51 PolarHBondContact O-N 3.1Å | ||
| 52 | K | 74 | Confident | 64.7 | Low | 83 Ų | 83 | 109.8 Ų | 109.8 | 36% | 0.361 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -106.7 | 142.6 | 177.5 | 67.8 | -152.5 | 174.4 | -161.1 | 0 | 113.2 | L43 Q44 D47 G50 S54 | L43-K52 PolarHBondContact O-NZ 3.24Å; Q44-K52 VanDerWaalsContact C-NZ 3.33Å; Q44-K52 HydrophobicContact CG-CD 4.31Å; Q44-K52 WeakPolarHBondContact O-CE 3.43Å; Q44-K52 PolarHBondContact O-NZ 3.29Å; D47-K52 HydrophobicContact CB-CD 4.14Å; D47-K52 VanDerWaalsContact CB-NZ 3.29Å; D47-K52 WeakPolarHBondContact OD2-CG 3.21Å; D47-K52 PolarHBondContact OD2-N 3.43Å; G50-K52 VanDerWaalsContact C-N 3.31Å; G50-K52 PolarHBondContact O-N 2.85Å; K52-S54 PolarHBondContact O-N 3.42Å; K52-S54 VanDerWaalsContact O-N 3.13Å |
| 53 | K | 69.1 | Low | 64.1 | Low | 203 Ų | 203 | 114 Ų | 114 | 88% | 0.883 | 68% | 0.681 | S | S | * | * | trans | -63.7 | 109.8 | 175.7 | -41.2 | 176.6 | -170.9 | -172.4 | 0 | 107.3 | V55 | K53-V55 PolarHBondContact O-N 2.98Š| ||
| 54 | S | 60.1 | Low | 62.7 | Low | 110 Ų | 110 | 114.9 Ų | 114.9 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | trans | -62.5 | 132.9 | -179.1 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | K52 | K52-S54 PolarHBondContact O-N 3.42Å; K52-S54 VanDerWaalsContact O-N 3.13Å | ||
| 55 | V | 61.7 | Low | 61.9 | Low | 112 Ų | 112 | 117.9 Ų | 117.9 | 68% | 0.679 | 71% | 0.705 | S | S | * | * | trans | -77.9 | 128.1 | 165.3 | -178.5 | 0 | 0 | 0 | 0 | 106.3 | K53 G57 | K53-V55 PolarHBondContact O-N 2.98Å; V55-G57 PolarHBondContact O-N 3.27Å; V55-G57 VanDerWaalsContact O-N 3.11Å | ||
| 56 | P | 55 | Low | 61 | Low | 129 Ų | 129 | 122.9 Ų | 122.9 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -72.2 | 110.5 | 179.3 | 3.2 | 10 | 0 | 0 | 0 | 108.7 | ||
| 57 | G | 58.5 | Low | 59.2 | Low | 64 Ų | 64 | 126.1 Ų | 126.1 | 66% | 0.66 | 72% | 0.719 | S | S | * | * | trans | 131.3 | 84.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V55 | V55-G57 PolarHBondContact O-N 3.27Å; V55-G57 VanDerWaalsContact O-N 3.11Å | ||
| 58 | V | 51.2 | Low | 57.4 | Low | 139 Ų | 139 | 129.7 Ų | 129.7 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | -174.7 | 84 | 126.1 | 168.1 | 0 | 0 | 0 | 0 | 104.8 | G60 | V58-G60 PolarHBondContact O-N 2.78Å; V58-G60 VanDerWaalsContact O-N 3.16Å | |||
| 59 | C | 55.3 | Low | 55.7 | Low | 136 Ų | 136 | 130.2 Ų | 130.2 | 92% | 0.919 | 75% | 0.75 | S | S | * | * | trans | -79.6 | 79.9 | 155.3 | -171.4 | 0 | 0 | 0 | 0 | 105.8 | A61 | C59-A61 PolarHBondContact O-N 3.37Š| ||
| 60 | G | 45.3 | Very low | 53.9 | Low | 52 Ų | 52 | 127.8 Ų | 127.8 | 54% | 0.536 | 75% | 0.745 | S | S | . | * | trans | -97.3 | 65.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V58 S62 | V58-G60 PolarHBondContact O-N 2.78Å; V58-G60 VanDerWaalsContact O-N 3.16Å; G60-S62 PolarHBondContact O-N 3.38Å | ||
| 61 | A | 51.8 | Low | 52.2 | Low | 86 Ų | 86 | 128.5 Ų | 128.5 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | -70.5 | 76.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | C59 Q63 | C59-A61 PolarHBondContact O-N 3.37Å; A61-Q63 PolarHBondContact O-N 2.9Å | ||
| 62 | S | 48.7 | Very low | 51.1 | Low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -80.1 | 80.8 | 165.4 | 40.7 | 0 | 0 | 0 | 0 | 108.8 | G60 T64 | G60-S62 PolarHBondContact O-N 3.38Å; S62-T64 PolarHBondContact O-N 3.16Å | ||
| 63 | Q | 51.8 | Low | 49.7 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -50.6 | 107 | 156.1 | -74.6 | -178.3 | -1.9 | 0 | 0 | 108.4 | A61 | A61-Q63 PolarHBondContact O-N 2.9Š| ||
| 64 | T | 37.5 | Very low | 48.7 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -103.2 | 92.4 | 157.6 | 15.9 | 0 | 0 | 0 | 0 | 107.8 | S62 Q66 | S62-T64 PolarHBondContact O-N 3.16Å; T64-Q66 PolarHBondContact O-N 3.24Å | ||
| 65 | H | 51 | Low | 47.8 | Very low | 173 Ų | 173 | 138.4 Ų | 138.4 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | -57.3 | 97.9 | 162.2 | -119.5 | -94.5 | 0 | 0 | 0 | 108.5 | ||||
| 66 | Q | 49.3 | Very low | 46.8 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -110.7 | 107.5 | 159.7 | -73.8 | -82.3 | -0 | 0 | 0 | 106.9 | T64 | T64-Q66 PolarHBondContact O-N 3.24Š| ||
| 67 | K | 38.9 | Very low | 46.1 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | -42.8 | 123.1 | 179.2 | -178.7 | 177.9 | -178.5 | 176.9 | 0 | 111.8 | Q69 | K67-Q69 PolarHBondContact O-N 3.46Š| ||
| 68 | P | 39.8 | Very low | 45.6 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -74.2 | 110.1 | 171 | 26.8 | -26.4 | 0 | 0 | 0 | 108.5 | N70 | P68-N70 PolarHBondContact O-N 3Š| ||
| 69 | Q | 43 | Very low | 45.2 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -72.9 | 113.9 | 159.5 | -76.1 | -166.1 | -18.8 | 0 | 0 | 107.6 | K67 G71 | K67-Q69 PolarHBondContact O-N 3.46Å; Q69-G71 PolarHBondContact O-N 3.05Å | ||
| 70 | N | 42.2 | Very low | 44.6 | Very low | 140 Ų | 140 | 146.4 Ų | 146.4 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | -43.8 | 123.3 | 177.5 | -171 | 20.4 | 0 | 0 | 0 | 112.4 | P68 E72 | P68-N70 PolarHBondContact O-N 3Å; N70-E72 WeakPolarHBondContact OD1-CG 3.38Å | ||
| 71 | G | 40.5 | Very low | 44.6 | Very low | 73 Ų | 73 | 155.2 Ų | 155.2 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -161.1 | 66.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q69 K73 | Q69-G71 PolarHBondContact O-N 3.05Å; G71-K73 PolarHBondContact O-N 3.34Å; G71-K73 VanDerWaalsContact O-N 3.12Å | ||
| 72 | E | 49.5 | Very low | 44.5 | Very low | 169 Ų | 169 | 160.3 Ų | 160.3 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -47.7 | 110.5 | -177.9 | -60 | 170.3 | 118.7 | 0 | 0 | 112 | N70 | N70-E72 WeakPolarHBondContact OD1-CG 3.38Š| ||
| 73 | K | 43.6 | Very low | 44.6 | Very low | 201 Ų | 201 | 166.2 Ų | 166.2 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -139.2 | 97.9 | 147.2 | -67.1 | -166.1 | -178.9 | -175.4 | 0 | 108.6 | G71 E75 | G71-K73 PolarHBondContact O-N 3.34Å; G71-K73 VanDerWaalsContact O-N 3.12Å; K73-E75 PolarHBondContact O-N 3.03Å | ||
| 74 | K | 47.6 | Very low | 44.2 | Very low | 212 Ų | 212 | 166.2 Ų | 166.2 | 92% | 0.922 | 81% | 0.814 | S | S | * | * | trans | -51.6 | 121 | 158.2 | -95.6 | 178.4 | 168.6 | -179 | 0 | 108.3 | ||||
| 75 | E | 41.9 | Very low | 45 | Very low | 180 Ų | 180 | 168.2 Ų | 168.2 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -145.5 | 100.8 | 144.5 | -157.1 | 170.3 | 166.9 | 0 | 0 | 109 | K73 S77 | K73-E75 PolarHBondContact O-N 3.03Å; E75-S77 PolarHBondContact O-N 3.12Å | ||
| 76 | E | 40.2 | Very low | 45.2 | Very low | 169 Ų | 169 | 165.7 Ų | 165.7 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -61.1 | 106.6 | 169.5 | 179.6 | 178.6 | -174.1 | 0 | 0 | 108.7 | ||||
| 77 | S | 40.8 | Very low | 45.7 | Very low | 117 Ų | 117 | 166 Ų | 166 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -109.3 | 76.1 | 170.2 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | E75 | E75-S77 PolarHBondContact O-N 3.12Š| ||
| 78 | L | 48.1 | Very low | 46.6 | Very low | 139 Ų | 139 | 166.5 Ų | 166.5 | 73% | 0.728 | 82% | 0.817 | S | S | * | * | trans | -89.8 | 114.2 | 157.4 | -75.2 | 167.1 | 0 | 0 | 0 | 107.6 | ||||
| 79 | T | 41.9 | Very low | 47.4 | Very low | 131 Ų | 131 | 169.2 Ų | 169.2 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | 176 | 100.4 | 125.4 | 33.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 80 | E | 43.5 | Very low | 48.2 | Very low | 192 Ų | 192 | 172.4 Ų | 172.4 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | 26.2 | 109.2 | 134.5 | -60.2 | -172.4 | 151.2 | 0 | 0 | 118.6 | K82 | E80-K82 PolarHBondContact O-N 3.41Š| ||
| 81 | R | 44.9 | Very low | 49.2 | Very low | 237 Ų | 237 | 175.5 Ų | 175.5 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | trans | -81.5 | 107.4 | 166.8 | -62.6 | 176.6 | -167.3 | 162.7 | 3.4 | 109.6 | ||||
| 82 | K | 50.1 | Low | 49.6 | Very low | 193 Ų | 193 | 178.1 Ų | 178.1 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | trans | -90.3 | 110 | 158.2 | -150.2 | -169.5 | -179.3 | -162.2 | 0 | 109 | E80 E84 | E80-K82 PolarHBondContact O-N 3.41Å; K82-E84 PolarHBondContact O-N 3.19Å | ||
| 83 | R | 51.4 | Low | 49.6 | Very low | 227 Ų | 227 | 179 Ų | 179 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | trans | -75.2 | 117.8 | 170.3 | -75.6 | 176 | 173.5 | 162.5 | -2 | 108.3 | ||||
| 84 | E | 43.4 | Very low | 50 | Low | 168 Ų | 168 | 175.7 Ų | 175.7 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -114.7 | 118.5 | 161.4 | -165.6 | 162.4 | 174 | 0 | 0 | 108.9 | K82 S86 | K82-E84 PolarHBondContact O-N 3.19Å; E84-S86 PolarHBondContact O-N 3.29Å | ||
| 85 | Q | 53.4 | Low | 50.2 | Low | 170 Ų | 170 | 171.6 Ų | 171.6 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -72.7 | 120.3 | 175.5 | -65.6 | 178.4 | 1.8 | 0 | 0 | 108.7 | ||||
| 86 | S | 54.5 | Low | 50.9 | Low | 120 Ų | 120 | 166.6 Ų | 166.6 | 84% | 0.839 | 83% | 0.827 | S | S | * | * | trans | -121.7 | 101.4 | 162.3 | 59.7 | 0 | 0 | 0 | 0 | 110.5 | E84 | E84-S86 PolarHBondContact O-N 3.29Š| ||
| 87 | K | 61.5 | Low | 51.2 | Low | 183 Ų | 183 | 171.6 Ų | 171.6 | 80% | 0.796 | 85% | 0.85 | S | S | * | * | trans | -71.6 | 125.6 | 163.6 | -60.8 | 170.6 | 179.6 | 174.1 | 0 | 107.9 | ||||
| 88 | K | 56.3 | Low | 51.7 | Low | 179 Ų | 179 | 174.4 Ų | 174.4 | 78% | 0.778 | 85% | 0.852 | S | S | * | * | trans | -175.6 | 122.7 | 132.1 | -121.1 | 157.9 | 170.9 | 174.3 | 0 | 116.1 | ||||
| 89 | K | 57.5 | Low | 51.9 | Low | 177 Ų | 177 | 176.2 Ų | 176.2 | 77% | 0.77 | 86% | 0.859 | S | S | * | * | trans | 62.5 | 104.7 | 135.5 | -72 | -178.9 | -176 | -164 | 0 | 119.7 | ||||
| 90 | R | 60.3 | Low | 52.4 | Low | 244 Ų | 244 | 178.7 Ų | 178.7 | 92% | 0.921 | 86% | 0.862 | S | S | * | * | trans | -57.4 | 131.2 | 146.8 | -71.2 | 175.5 | 172 | 164.9 | -3.4 | 109.3 | ||||
| 91 | K | 61.5 | Low | 52.9 | Low | 205 Ų | 205 | 177.9 Ų | 177.9 | 89% | 0.891 | 86% | 0.86 | S | S | * | * | trans | -96 | 115.5 | 154.3 | -77.6 | -172.1 | 175.6 | -175.8 | 0 | 106.9 | ||||
| 92 | T | 50.2 | Low | 53.4 | Low | 127 Ų | 127 | 174.3 Ų | 174.3 | 78% | 0.779 | 86% | 0.857 | S | S | * | * | trans | -70.7 | 130.1 | 163.2 | 21.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 93 | M | 49.2 | Very low | 53.7 | Low | 187 Ų | 187 | 173 Ų | 173 | 92% | 0.921 | 86% | 0.859 | S | S | * | * | trans | -67.3 | 126.9 | 166.1 | -65.5 | -93.7 | -74.3 | 0 | 0 | 107.7 | ||||
| 94 | T | 52.7 | Low | 53.8 | Low | 133 Ų | 133 | 169.1 Ų | 169.1 | 82% | 0.816 | 86% | 0.859 | S | S | * | * | trans | -110.7 | 106 | 161.2 | 53.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 95 | S | 51.7 | Low | 54.6 | Low | 125 Ų | 125 | 169.2 Ų | 169.2 | 87% | 0.874 | 86% | 0.864 | S | S | * | * | trans | -78.6 | 131.4 | 158.7 | 50.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 96 | G | 55.6 | Low | 54.7 | Low | 75 Ų | 75 | 169.2 Ų | 169.2 | 77% | 0.773 | 87% | 0.87 | S | S | * | * | trans | 151.4 | 122.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 97 | E | 45.8 | Very low | 54.8 | Low | 275 Ų | 275 | 173.6 Ų | 173.6 | 100% | 1.285 | 87% | 0.873 | S | S | * | * | cis | -146.8 | 0 | 15.2 | -121.4 | 172.6 | 134.7 | 0 | 0 | 107.9 |
Retrieved 97 of 97 residues in 39.7 ms
(Link to these results)