| 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 | 46.2 | Very low | 47.7 | Very low | 158 Ų | 158 | 84.5 Ų | 84.5 | 78% | 0.778 | 47% | 0.466 | S | S | * | . | 0 | 108.4 | 0 | -167.4 | 161.3 | -156.1 | 0 | 0 | 104.9 | N5 E9 | M1-N5 HydrophobicContact CG-CB 4.46Å; M1-E9 WeakPolarHBondContact CE-OE2 3.44Å | |||
| 2 | D | 45.4 | Very low | 47.6 | Very low | 120 Ų | 120 | 85.8 Ų | 85.8 | 64% | 0.642 | 50% | 0.496 | S | S | * | . | trans | -71 | 147 | -174.8 | -74.1 | -35.3 | 0 | 0 | 0 | 110.5 | V4 N5 F6 | D2-V4 PolarHBondContact O-N 2.71Å; D2-V4 VanDerWaalsContact O-N 3.1Å; D2-N5 WeakPolarHBondContact O-CA 3.02Å; D2-N5 VanDerWaalsContact O-CB 3.23Å; D2-N5 WeakPolarHBondContact O-CB 3.44Å; D2-N5 PolarHBondContact O-N 3.27Å; D2-F6 PolarHBondContact O-N 3.3Å | ||
| 3 | I | 46 | Very low | 47.8 | Very low | 29 Ų | 29 | 94.8 Ų | 94.8 | 15% | 0.149 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -50.6 | -34.7 | 174 | -61.5 | 145.7 | 0 | 0 | 0 | 111.2 | N5 F6 N7 R24 I27 | I3-N5 PolarHBondContact O-N 3.36Å; I3-F6 WeakPolarHBondContact O-CB 3.49Å; I3-F6 PolarHBondContact O-N 3Å; I3-F6 VanDerWaalsContact O-N 3.11Å; I3-N7 PolarHBondContact O-N 3.46Å; I3-R24 HydrophobicContact CD1-CB 3.69Å; I3-R24 HydrophobicContact CD1-CG 3.62Å; I3-I27 HydrophobicContact CD1-CB 4.16Å; I3-I27 HydrophobicContact CD1-CD1 4.09Å; I3-I27 HydrophobicContact CD1-CG2 4.26Å; I3-I27 HydrophobicContact CG1-CB 4.37Å; I3-I27 HydrophobicContact CG1-CD1 3.36Å; I3-I27 HydrophobicContact CG1-CG1 4.4Å; I3-I27 HydrophobicContact CG1-CG2 4.46Å |
| 4 | V | 47.8 | Very low | 48 | Very low | 115 Ų | 115 | 92.9 Ų | 92.9 | 70% | 0.697 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.6 | -31.9 | 176.8 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | D2 N8 | D2-V4 PolarHBondContact O-N 2.71Å; D2-V4 VanDerWaalsContact O-N 3.1Å; V4-N8 WeakPolarHBondContact O-CB 3.14Å; V4-N8 PolarHBondContact O-N 2.91Å |
| 5 | N | 53.2 | Low | 48.2 | Very low | 86 Ų | 86 | 90.6 Ų | 90.6 | 46% | 0.46 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -75.5 | -36.5 | 177.1 | -129.6 | 60.9 | 0 | 0 | 0 | 111.6 | M1 D2 I3 N8 E9 | M1-N5 HydrophobicContact CG-CB 4.46Å; D2-N5 WeakPolarHBondContact O-CA 3.02Å; D2-N5 VanDerWaalsContact O-CB 3.23Å; D2-N5 WeakPolarHBondContact O-CB 3.44Å; D2-N5 PolarHBondContact O-N 3.27Å; I3-N5 PolarHBondContact O-N 3.36Å; N5-N8 PolarHBondContact O-N 3.12Å; N5-E9 PolarHBondContact O-N 3.2Å |
| 6 | F | 47.8 | Very low | 48.9 | Very low | 52 Ų | 52 | 88.9 Ų | 88.9 | 23% | 0.228 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 177.9 | -168.2 | -105.3 | 0 | 0 | 0 | 111.6 | D2 I3 N8 E9 L10 F15 I23 L71 | D2-F6 PolarHBondContact O-N 3.3Å; I3-F6 WeakPolarHBondContact O-CB 3.49Å; I3-F6 PolarHBondContact O-N 3Å; I3-F6 VanDerWaalsContact O-N 3.11Å; F6-N8 VanDerWaalsContact C-N 3.31Å; F6-N8 PolarHBondContact O-N 2.97Å; F6-E9 PolarHBondContact O-N 2.89Å; F6-L10 HydrophobicContact CD1-CD1 3.47Å; F6-L10 VanDerWaalsContact CD1-CD1 3.47Å; F6-L10 HydrophobicContact CD2-CD1 3.5Å; F6-L10 VanDerWaalsContact CD2-CD1 3.5Å; F6-L10 HydrophobicContact CE1-CD1 3.25Å; F6-L10 HydrophobicContact CE2-CD1 3.28Å; F6-L10 HydrophobicContact CG-CD1 3.6Å; F6-L10 HydrophobicContact CZ-CD1 3.14Å; F6-L10 VanDerWaalsContact O-CB 3.3Å; F6-L10 WeakPolarHBondContact O-CB 3.46Å; F6-L10 WeakPolarHBondContact O-CD1 3.48Å; F6-L10 WeakPolarHBondContact O-CG 3.26Å; F6-L10 PolarHBondContact O-N 3.1Å; F6-F15 HydrophobicContact CD1-CE2 4.16Å; F6-F15 HydrophobicContact CD1-CZ 4.25Å; F6-F15 HydrophobicContact CE1-CD1 4.37Å; F6-F15 HydrophobicContact CE1-CD2 4.25Å; F6-F15 AromaticContact CE1-CE1 3.66Å; F6-F15 HydrophobicContact CE1-CE1 3.66Å; F6-F15 AromaticContact CE1-CE2 3.53Å; F6-F15 HydrophobicContact CE1-CE2 3.53Å; F6-F15 AromaticContact CE1-CZ 3.21Å; F6-F15 HydrophobicContact CE1-CZ 3.21Å; F6-F15 HydrophobicContact CZ-CE1 4.13Å; F6-F15 HydrophobicContact CZ-CE2 4.21Å; F6-F15 AromaticContact CZ-CZ 3.58Å; F6-F15 HydrophobicContact CZ-CZ 3.58Å; F6-I23 HydrophobicContact CE1-CD1 4.25Å; F6-L71 HydrophobicContact CE2-CD2 4.35Å; F6-L71 HydrophobicContact CZ-CD2 4.48Å |
| 7 | N | 44.2 | Very low | 49.3 | Very low | 49 Ų | 49 | 92.1 Ų | 92.1 | 26% | 0.262 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.8 | -30.5 | 175.5 | -99.9 | 5.9 | 0 | 0 | 0 | 113.2 | I3 E20 | I3-N7 PolarHBondContact O-N 3.46Å; N7-E20 VanDerWaalsContact ND2-CD 3.26Å; N7-E20 PolarHBondContact ND2-OE1 3.4Å; N7-E20 PolarHBondContact ND2-OE2 3.01Å |
| 8 | N | 50 | Low | 50 | Low | 140 Ų | 140 | 92.8 Ų | 92.8 | 75% | 0.749 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -77.6 | -36.1 | 177 | -120.6 | 17.6 | 0 | 0 | 0 | 112.9 | V4 N5 F6 | V4-N8 WeakPolarHBondContact O-CB 3.14Å; V4-N8 PolarHBondContact O-N 2.91Å; N5-N8 PolarHBondContact O-N 3.12Å; F6-N8 VanDerWaalsContact C-N 3.31Å; F6-N8 PolarHBondContact O-N 2.97Å |
| 9 | E | 51 | Low | 50.4 | Low | 86 Ų | 86 | 91.1 Ų | 91.1 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -74.8 | -30.4 | 175 | -93 | 178.4 | 118.7 | 0 | 0 | 112.8 | M1 N5 F6 | M1-E9 WeakPolarHBondContact CE-OE2 3.44Å; N5-E9 PolarHBondContact O-N 3.2Å; F6-E9 PolarHBondContact O-N 2.89Å |
| 10 | L | 48 | Very low | 51.1 | Low | 43 Ų | 43 | 89.6 Ų | 89.6 | 23% | 0.225 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 10.8 | -174.9 | -69.3 | 159.9 | 0 | 0 | 0 | 114.7 | F6 A12 F15 L71 I74 | F6-L10 HydrophobicContact CD1-CD1 3.47Å; F6-L10 VanDerWaalsContact CD1-CD1 3.47Å; F6-L10 HydrophobicContact CD2-CD1 3.5Å; F6-L10 VanDerWaalsContact CD2-CD1 3.5Å; F6-L10 HydrophobicContact CE1-CD1 3.25Å; F6-L10 HydrophobicContact CE2-CD1 3.28Å; F6-L10 HydrophobicContact CG-CD1 3.6Å; F6-L10 HydrophobicContact CZ-CD1 3.14Å; F6-L10 VanDerWaalsContact O-CB 3.3Å; F6-L10 WeakPolarHBondContact O-CB 3.46Å; F6-L10 WeakPolarHBondContact O-CD1 3.48Å; F6-L10 WeakPolarHBondContact O-CG 3.26Å; F6-L10 PolarHBondContact O-N 3.1Å; L10-A12 PolarHBondContact O-N 3.34Å; L10-F15 HydrophobicContact CB-CE2 3.77Å; L10-F15 HydrophobicContact CD1-CE2 3.38Å; L10-F15 HydrophobicContact CD1-CZ 3.62Å; L10-F15 HydrophobicContact CG-CE2 4.07Å; L10-L71 HydrophobicContact CD1-CD2 4.46Å; L10-L71 HydrophobicContact CD2-CD2 4.15Å; L10-I74 HydrophobicContact CD2-CD1 3.97Å |
| 11 | G | 44.9 | Very low | 51.7 | Low | 52 Ų | 52 | 91.8 Ų | 91.8 | 54% | 0.536 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 51.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K13 | G11-K13 WeakPolarHBondContact O-CB 3.45Å; G11-K13 PolarHBondContact O-N 3.2Å |
| 12 | A | 46 | Very low | 52.6 | Low | 100 Ų | 100 | 86.6 Ų | 86.6 | 83% | 0.826 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.6 | 21.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119 | L10 | L10-A12 PolarHBondContact O-N 3.34Š|
| 13 | K | 50.5 | Low | 53.5 | Low | 202 Ų | 202 | 82 Ų | 82 | 88% | 0.878 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -142.1 | 40.4 | -169.9 | -152.2 | -179.9 | -178.6 | -177.4 | 0 | 114.1 | G11 | G11-K13 WeakPolarHBondContact O-CB 3.45Å; G11-K13 PolarHBondContact O-N 3.2Å |
| 14 | G | 51.2 | Low | 54.5 | Low | 68 Ų | 68 | 87.3 Ų | 87.3 | 70% | 0.701 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -170.3 | -9.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 15 | F | 51.3 | Low | 55.5 | Low | 59 Ų | 59 | 88 Ų | 88 | 26% | 0.259 | 49% | 0.485 | S | S | . | . | trans | -90.5 | 123.7 | 170.2 | -67.2 | -76.4 | 0 | 0 | 0 | 108.5 | F6 L10 V19 | F6-F15 HydrophobicContact CD1-CE2 4.16Å; F6-F15 HydrophobicContact CD1-CZ 4.25Å; F6-F15 HydrophobicContact CE1-CD1 4.37Å; F6-F15 HydrophobicContact CE1-CD2 4.25Å; F6-F15 AromaticContact CE1-CE1 3.66Å; F6-F15 HydrophobicContact CE1-CE1 3.66Å; F6-F15 AromaticContact CE1-CE2 3.53Å; F6-F15 HydrophobicContact CE1-CE2 3.53Å; F6-F15 AromaticContact CE1-CZ 3.21Å; F6-F15 HydrophobicContact CE1-CZ 3.21Å; F6-F15 HydrophobicContact CZ-CE1 4.13Å; F6-F15 HydrophobicContact CZ-CE2 4.21Å; F6-F15 AromaticContact CZ-CZ 3.58Å; F6-F15 HydrophobicContact CZ-CZ 3.58Å; L10-F15 HydrophobicContact CB-CE2 3.77Å; L10-F15 HydrophobicContact CD1-CE2 3.38Å; L10-F15 HydrophobicContact CD1-CZ 3.62Å; L10-F15 HydrophobicContact CG-CE2 4.07Å; F15-V19 HydrophobicContact CD1-CB 4.31Å; F15-V19 HydrophobicContact CD1-CG1 3.73Å; F15-V19 HydrophobicContact CE1-CG1 4.29Å | ||
| 16 | S | 58.3 | Low | 55.9 | Low | 64 Ų | 64 | 88.2 Ų | 88.2 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | trans | -64.8 | 149.2 | 164.6 | 59.6 | 0 | 0 | 0 | 0 | 108.3 | T18 V19 E20 | S16-T18 PolarHBondContact O-N 2.87Å; S16-V19 PolarHBondContact O-N 3.19Å; S16-E20 PolarHBondContact O-N 2.97Å | ||
| 17 | D | 56.9 | Low | 56.4 | Low | 142 Ų | 142 | 87.7 Ų | 87.7 | 76% | 0.759 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -49 | -32 | 177.6 | -66.3 | -35.8 | 0 | 0 | 0 | 111.8 | E21 | D17-E21 PolarHBondContact O-N 3.48Å; D17-E21 VanDerWaalsContact O-N 3.08Å |
| 18 | T | 60.5 | Low | 57.4 | Low | 105 Ų | 105 | 92.6 Ų | 92.6 | 64% | 0.644 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.1 | -40.2 | 177.2 | -46.8 | 0 | 0 | 0 | 0 | 114.3 | S16 D22 | S16-T18 PolarHBondContact O-N 2.87Å; T18-D22 PolarHBondContact O-N 3.38Å |
| 19 | V | 59.1 | Low | 57.7 | Low | 60 Ų | 60 | 93 Ų | 93 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -78.2 | -33.6 | -179 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | F15 S16 E21 I23 | F15-V19 HydrophobicContact CD1-CB 4.31Å; F15-V19 HydrophobicContact CD1-CG1 3.73Å; F15-V19 HydrophobicContact CE1-CG1 4.29Å; S16-V19 PolarHBondContact O-N 3.19Å; V19-E21 VanDerWaalsContact C-N 3.34Å; V19-I23 HydrophobicContact CG1-CD1 3.65Å; V19-I23 HydrophobicContact CG1-CG1 4.27Å; V19-I23 WeakPolarHBondContact O-CB 3.47Å; V19-I23 WeakPolarHBondContact O-CD1 3.42Å; V19-I23 WeakPolarHBondContact O-CG1 3.12Å; V19-I23 PolarHBondContact O-N 2.82Å |
| 20 | E | 62.8 | Low | 58.1 | Low | 62 Ų | 62 | 91.5 Ų | 91.5 | 29% | 0.29 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 172.2 | -172.9 | 174.5 | 158.8 | 0 | 0 | 111.3 | N7 S16 R24 | N7-E20 VanDerWaalsContact ND2-CD 3.26Å; N7-E20 PolarHBondContact ND2-OE1 3.4Å; N7-E20 PolarHBondContact ND2-OE2 3.01Å; S16-E20 PolarHBondContact O-N 2.97Å; E20-R24 WeakPolarHBondContact O-CB 3.44Å; E20-R24 PolarHBondContact O-N 2.83Å |
| 21 | E | 65.4 | Low | 58.5 | Low | 135 Ų | 135 | 93.1 Ų | 93.1 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.3 | -46 | 177.8 | -169.4 | 172.3 | -165.9 | 0 | 0 | 112.5 | D17 V19 R24 E25 | D17-E21 PolarHBondContact O-N 3.48Å; D17-E21 VanDerWaalsContact O-N 3.08Å; V19-E21 VanDerWaalsContact C-N 3.34Å; E21-R24 PolarHBondContact O-N 2.79Å; E21-E25 WeakPolarHBondContact O-CB 3.46Å; E21-E25 PolarHBondContact O-N 3.36Å |
| 22 | D | 64.8 | Low | 59 | Low | 50 Ų | 50 | 97.7 Ų | 97.7 | 27% | 0.267 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 179.6 | -174 | 40 | 0 | 0 | 0 | 112.2 | T18 R24 R26 L42 | T18-D22 PolarHBondContact O-N 3.38Å; D22-R24 VanDerWaalsContact C-N 3.29Å; D22-R24 PolarHBondContact O-N 2.83Å; D22-R26 WeakPolarHBondContact O-CB 3.44Å; D22-R26 WeakPolarHBondContact O-CG 3.22Å; D22-R26 PolarHBondContact O-N 3.08Å; D22-R26 VanDerWaalsContact O-N 3.1Å; D22-R26 IonicContact OD1-NE 3.36Å; D22-R26 PolarHBondContact OD1-NE 2.73Å; D22-R26 IonicContact OD2-NE 3.82Å; D22-L42 WeakPolarHBondContact OD2-CD2 3.47Å |
| 23 | I | 63.9 | Low | 59.5 | Low | 24 Ų | 24 | 98.2 Ų | 98.2 | 12% | 0.123 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -62.6 | -41 | 173 | -68.8 | 170.8 | 0 | 0 | 0 | 109.9 | F6 V19 I27 F34 L42 | F6-I23 HydrophobicContact CE1-CD1 4.25Å; V19-I23 HydrophobicContact CG1-CD1 3.65Å; V19-I23 HydrophobicContact CG1-CG1 4.27Å; V19-I23 WeakPolarHBondContact O-CB 3.47Å; V19-I23 WeakPolarHBondContact O-CD1 3.42Å; V19-I23 WeakPolarHBondContact O-CG1 3.12Å; V19-I23 PolarHBondContact O-N 2.82Å; I23-I27 HydrophobicContact CG2-CD1 3.78Å; I23-I27 VanDerWaalsContact O-CG1 3.27Å; I23-I27 WeakPolarHBondContact O-CG1 3.26Å; I23-I27 PolarHBondContact O-N 3.36Å; I23-F34 HydrophobicContact CG2-CE2 4.25Å; I23-L42 HydrophobicContact CG1-CD2 3.9Å |
| 24 | R | 66.4 | Low | 59.9 | Low | 140 Ų | 140 | 91 Ų | 91 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.1 | -49 | -179.7 | 175.9 | 168.3 | -171.4 | -179.8 | 2.7 | 112.7 | I3 E20 E21 D22 R26 I27 E28 | I3-R24 HydrophobicContact CD1-CB 3.69Å; I3-R24 HydrophobicContact CD1-CG 3.62Å; E20-R24 WeakPolarHBondContact O-CB 3.44Å; E20-R24 PolarHBondContact O-N 2.83Å; E21-R24 PolarHBondContact O-N 2.79Å; D22-R24 VanDerWaalsContact C-N 3.29Å; D22-R24 PolarHBondContact O-N 2.83Å; R24-R26 VanDerWaalsContact C-N 3.27Å; R24-R26 PolarHBondContact O-N 3.36Å; R24-I27 PolarHBondContact O-N 3.36Å; R24-E28 WeakPolarHBondContact O-CB 3.45Å; R24-E28 PolarHBondContact O-N 3.09Å |
| 25 | E | 68.7 | Low | 60.4 | Low | 128 Ų | 128 | 91.2 Ų | 91.2 | 60% | 0.598 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.1 | -43.1 | 178.8 | -175.2 | 176.7 | -168.2 | 0 | 0 | 110.5 | E21 E28 N29 | E21-E25 WeakPolarHBondContact O-CB 3.46Å; E21-E25 PolarHBondContact O-N 3.36Å; E25-E28 PolarHBondContact O-N 3.45Å; E25-N29 WeakPolarHBondContact O-CB 3.35Å; E25-N29 PolarHBondContact O-N 3.43Å |
| 26 | R | 61.5 | Low | 60.7 | Low | 91 Ų | 91 | 93.7 Ų | 93.7 | 34% | 0.343 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70 | -36.8 | 178.6 | -74.1 | 178 | -179 | -139.3 | 4.1 | 113.5 | D22 R24 C30 F34 | D22-R26 WeakPolarHBondContact O-CB 3.44Å; D22-R26 WeakPolarHBondContact O-CG 3.22Å; D22-R26 PolarHBondContact O-N 3.08Å; D22-R26 VanDerWaalsContact O-N 3.1Å; D22-R26 IonicContact OD1-NE 3.36Å; D22-R26 PolarHBondContact OD1-NE 2.73Å; D22-R26 IonicContact OD2-NE 3.82Å; R24-R26 VanDerWaalsContact C-N 3.27Å; R24-R26 PolarHBondContact O-N 3.36Å; R26-C30 WeakPolarHBondContact O-CB 3.33Å; R26-C30 PolarHBondContact O-N 3.11Å; R26-F34 HydrophobicContact CB-CE1 3.82Å; R26-F34 HydrophobicContact CB-CZ 3.56Å |
| 27 | I | 59.9 | Low | 60.8 | Low | 41 Ų | 41 | 97.7 Ų | 97.7 | 21% | 0.21 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 174.6 | -71.4 | 170.8 | 0 | 0 | 0 | 110.7 | I3 I23 R24 N29 C30 G31 F34 | I3-I27 HydrophobicContact CD1-CB 4.16Å; I3-I27 HydrophobicContact CD1-CD1 4.09Å; I3-I27 HydrophobicContact CD1-CG2 4.26Å; I3-I27 HydrophobicContact CG1-CB 4.37Å; I3-I27 HydrophobicContact CG1-CD1 3.36Å; I3-I27 HydrophobicContact CG1-CG1 4.4Å; I3-I27 HydrophobicContact CG1-CG2 4.46Å; I23-I27 HydrophobicContact CG2-CD1 3.78Å; I23-I27 VanDerWaalsContact O-CG1 3.27Å; I23-I27 WeakPolarHBondContact O-CG1 3.26Å; I23-I27 PolarHBondContact O-N 3.36Å; R24-I27 PolarHBondContact O-N 3.36Å; I27-N29 VanDerWaalsContact C-N 3.33Å; I27-N29 PolarHBondContact O-N 3.13Å; I27-C30 PolarHBondContact O-N 3.25Å; I27-G31 PolarHBondContact O-N 2.97Å; I27-F34 HydrophobicContact CB-CE2 4.5Å; I27-F34 HydrophobicContact CD1-CD2 4.23Å; I27-F34 HydrophobicContact CD1-CE2 3.57Å; I27-F34 HydrophobicContact CD1-CZ 4.49Å; I27-F34 HydrophobicContact CG1-CD2 3.93Å; I27-F34 HydrophobicContact CG1-CE2 3.13Å; I27-F34 HydrophobicContact CG1-CZ 3.7Å |
| 28 | E | 63.6 | Low | 61 | Low | 153 Ų | 153 | 93.9 Ų | 93.9 | 72% | 0.715 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.6 | -37.8 | -179.7 | -171.4 | 161.3 | -160.3 | 0 | 0 | 111.5 | R24 E25 | R24-E28 WeakPolarHBondContact O-CB 3.45Å; R24-E28 PolarHBondContact O-N 3.09Å; E25-E28 PolarHBondContact O-N 3.45Å |
| 29 | N | 57.9 | Low | 61.1 | Low | 148 Ų | 148 | 90.9 Ų | 90.9 | 79% | 0.791 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -80 | -27.1 | 179.5 | -163.6 | 54.6 | 0 | 0 | 0 | 113.8 | E25 I27 | E25-N29 WeakPolarHBondContact O-CB 3.35Å; E25-N29 PolarHBondContact O-N 3.43Å; I27-N29 VanDerWaalsContact C-N 3.33Å; I27-N29 PolarHBondContact O-N 3.13Å |
| 30 | C | 57.7 | Low | 61.2 | Low | 54 Ų | 54 | 93.6 Ų | 93.6 | 37% | 0.365 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -94.9 | -23.1 | -172 | -153.1 | 0 | 0 | 0 | 0 | 114 | R26 I27 K32 | R26-C30 WeakPolarHBondContact O-CB 3.33Å; R26-C30 PolarHBondContact O-N 3.11Å; I27-C30 PolarHBondContact O-N 3.25Å; C30-K32 WeakPolarHBondContact O-CG 3.47Å; C30-K32 PolarHBondContact O-N 3.37Å |
| 31 | G | 56.5 | Low | 61 | Low | 77 Ų | 77 | 96.9 Ų | 96.9 | 79% | 0.794 | 49% | 0.493 | S | S | * | . | trans | 55.7 | 10.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | I27 | I27-G31 PolarHBondContact O-N 2.97Š| ||
| 32 | K | 56.9 | Low | 60.7 | Low | 149 Ų | 149 | 91.5 Ų | 91.5 | 65% | 0.648 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -127.9 | 145.4 | -173.6 | -73.2 | 174 | -176.1 | 176.1 | 0 | 108.5 | C30 | C30-K32 WeakPolarHBondContact O-CG 3.47Å; C30-K32 PolarHBondContact O-N 3.37Å |
| 33 | P | 56.7 | Low | 60.2 | Low | 111 Ų | 111 | 92.6 Ų | 92.6 | 72% | 0.721 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 138.4 | 169.3 | 27.8 | -32.8 | 0 | 0 | 0 | 109.2 | T35 | P33-T35 PolarHBondContact O-N 3.05Š|
| 34 | F | 58.7 | Low | 59.7 | Low | 51 Ų | 51 | 98.9 Ų | 98.9 | 22% | 0.224 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 137.3 | 172.5 | -70.7 | -71.6 | 0 | 0 | 0 | 110.7 | I23 R26 I27 E38 L42 | I23-F34 HydrophobicContact CG2-CE2 4.25Å; R26-F34 HydrophobicContact CB-CE1 3.82Å; R26-F34 HydrophobicContact CB-CZ 3.56Å; I27-F34 HydrophobicContact CB-CE2 4.5Å; I27-F34 HydrophobicContact CD1-CD2 4.23Å; I27-F34 HydrophobicContact CD1-CE2 3.57Å; I27-F34 HydrophobicContact CD1-CZ 4.49Å; I27-F34 HydrophobicContact CG1-CD2 3.93Å; I27-F34 HydrophobicContact CG1-CE2 3.13Å; I27-F34 HydrophobicContact CG1-CZ 3.7Å; F34-E38 HydrophobicContact CD1-CB 3.93Å; F34-L42 HydrophobicContact CD1-CD1 4.18Å; F34-L42 HydrophobicContact CE1-CD1 3.57Å; F34-L42 HydrophobicContact CE2-CD1 4.47Å; F34-L42 HydrophobicContact CZ-CD1 3.74Å |
| 35 | T | 60.9 | Low | 58.8 | Low | 72 Ų | 72 | 95.3 Ų | 95.3 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -73 | 156.3 | 162.1 | 61.1 | 0 | 0 | 0 | 0 | 109.8 | P33 E37 E38 L39 | P33-T35 PolarHBondContact O-N 3.05Å; T35-E37 PolarHBondContact O-N 3.01Å; T35-E38 WeakPolarHBondContact CB-OE2 3.4Å; T35-E38 PolarHBondContact N-OE2 3.35Å; T35-E38 PolarHBondContact O-N 3.44Å; T35-E38 VanDerWaalsContact O-N 3.13Å; T35-E38 VanDerWaalsContact OG1-CD 3.32Å; T35-E38 VanDerWaalsContact OG1-CG 3.26Å; T35-E38 WeakPolarHBondContact OG1-CG 3.46Å; T35-E38 PolarHBondContact OG1-N 2.91Å; T35-E38 PolarHBondContact OG1-OE2 3.39Å; T35-L39 PolarHBondContact O-N 3.31Å; T35-L39 VanDerWaalsContact O-N 3.09Å |
| 36 | N | 58.6 | Low | 57.9 | Low | 110 Ų | 110 | 94.3 Ų | 94.3 | 59% | 0.588 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.3 | -34.5 | 178.2 | -66.2 | -18.8 | 0 | 0 | 0 | 111.9 | L39 E40 | N36-L39 PolarHBondContact O-N 2.95Å; N36-E40 WeakPolarHBondContact O-CG 3.45Å; N36-E40 PolarHBondContact O-N 3.01Å |
| 37 | E | 59.4 | Low | 57.3 | Low | 148 Ų | 148 | 94.6 Ų | 94.6 | 69% | 0.692 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 174.8 | -80.7 | 174.8 | 117.9 | 0 | 0 | 112.2 | T35 L39 E40 E41 | T35-E37 PolarHBondContact O-N 3.01Å; E37-L39 VanDerWaalsContact C-N 3.26Å; E37-L39 PolarHBondContact O-N 2.96Å; E37-E40 CarbonylContact O-C 3.6Å; E37-E40 WeakPolarHBondContact O-CA 3.38Å; E37-E40 WeakPolarHBondContact O-CB 3.28Å; E37-E40 PolarHBondContact O-N 2.92Å; E37-E40 VanDerWaalsContact O-N 3.11Å; E37-E41 PolarHBondContact O-N 3.1Å |
| 38 | E | 60.7 | Low | 56.4 | Low | 63 Ų | 63 | 96.1 Ų | 96.1 | 29% | 0.294 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.1 | -33.2 | 178.2 | -72.7 | 165.9 | 127.1 | 0 | 0 | 112 | F34 T35 L42 | F34-E38 HydrophobicContact CD1-CB 3.93Å; T35-E38 WeakPolarHBondContact CB-OE2 3.4Å; T35-E38 PolarHBondContact N-OE2 3.35Å; T35-E38 PolarHBondContact O-N 3.44Å; T35-E38 VanDerWaalsContact O-N 3.13Å; T35-E38 VanDerWaalsContact OG1-CD 3.32Å; T35-E38 VanDerWaalsContact OG1-CG 3.26Å; T35-E38 WeakPolarHBondContact OG1-CG 3.46Å; T35-E38 PolarHBondContact OG1-N 2.91Å; T35-E38 PolarHBondContact OG1-OE2 3.39Å; E38-L42 WeakPolarHBondContact O-CB 3.18Å; E38-L42 PolarHBondContact O-N 3.08Å |
| 39 | L | 63.4 | Low | 55.3 | Low | 42 Ų | 42 | 94.5 Ų | 94.5 | 22% | 0.22 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -66.9 | -42.9 | 172.5 | -164 | 110.9 | 0 | 0 | 0 | 110.6 | T35 N36 E37 L42 M43 F75 | T35-L39 PolarHBondContact O-N 3.31Å; T35-L39 VanDerWaalsContact O-N 3.09Å; N36-L39 PolarHBondContact O-N 2.95Å; E37-L39 VanDerWaalsContact C-N 3.26Å; E37-L39 PolarHBondContact O-N 2.96Å; L39-L42 WeakPolarHBondContact O-CB 3.35Å; L39-L42 PolarHBondContact O-N 3.47Å; L39-M43 HydrophobicContact CD2-CE 4.1Å; L39-M43 HydrophobicContact CD2-SD 4.15Å; L39-M43 WeakPolarHBondContact O-CG 3Å; L39-M43 PolarHBondContact O-N 2.81Å; L39-F75 HydrophobicContact CD2-CE2 4.48Å |
| 40 | E | 60.4 | Low | 54.9 | Low | 117 Ų | 117 | 94.4 Ų | 94.4 | 55% | 0.547 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.5 | -42.3 | 173.5 | -76.1 | 179.7 | 165.2 | 0 | 0 | 112.8 | N36 E37 M43 Q44 | N36-E40 WeakPolarHBondContact O-CG 3.45Å; N36-E40 PolarHBondContact O-N 3.01Å; E37-E40 CarbonylContact O-C 3.6Å; E37-E40 WeakPolarHBondContact O-CA 3.38Å; E37-E40 WeakPolarHBondContact O-CB 3.28Å; E37-E40 PolarHBondContact O-N 2.92Å; E37-E40 VanDerWaalsContact O-N 3.11Å; E40-M43 HydrophobicContact CB-CE 4.18Å; E40-M43 HydrophobicContact CG-CE 3.69Å; E40-M43 CarbonylContact O-C 3.56Å; E40-M43 WeakPolarHBondContact O-CB 3.39Å; E40-M43 PolarHBondContact O-N 3.05Å; E40-Q44 WeakPolarHBondContact O-CG 3.3Å; E40-Q44 PolarHBondContact O-N 3.44Å |
| 41 | E | 59.7 | Low | 54.6 | Low | 130 Ų | 130 | 98.5 Ų | 98.5 | 61% | 0.607 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.5 | -36.6 | 177 | -73 | -169.2 | 142.3 | 0 | 0 | 113.2 | E37 M43 Q44 S45 | E37-E41 PolarHBondContact O-N 3.1Å; E41-M43 VanDerWaalsContact C-N 3.31Å; E41-Q44 PolarHBondContact O-N 3.19Å; E41-S45 PolarHBondContact O-N 2.91Å; E41-S45 PolarHBondContact O-OG 2.96Å |
| 42 | L | 58.1 | Low | 54.4 | Low | 22 Ų | 22 | 101.4 Ų | 101.4 | 12% | 0.115 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -60.7 | -41.8 | 170.3 | -105.9 | 144.4 | 0 | 0 | 0 | 111.2 | D22 I23 F34 E38 L39 Q44 S45 | D22-L42 WeakPolarHBondContact OD2-CD2 3.47Å; I23-L42 HydrophobicContact CG1-CD2 3.9Å; F34-L42 HydrophobicContact CD1-CD1 4.18Å; F34-L42 HydrophobicContact CE1-CD1 3.57Å; F34-L42 HydrophobicContact CE2-CD1 4.47Å; F34-L42 HydrophobicContact CZ-CD1 3.74Å; E38-L42 WeakPolarHBondContact O-CB 3.18Å; E38-L42 PolarHBondContact O-N 3.08Å; L39-L42 WeakPolarHBondContact O-CB 3.35Å; L39-L42 PolarHBondContact O-N 3.47Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.25Å; L42-S45 PolarHBondContact O-N 2.93Å |
| 43 | M | 54.9 | Low | 54.2 | Low | 74 Ų | 74 | 100.7 Ų | 100.7 | 37% | 0.365 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.7 | -20.4 | 175.8 | -68.6 | -173.9 | -54.3 | 0 | 0 | 113.5 | L39 E40 E41 L68 L71 | L39-M43 HydrophobicContact CD2-CE 4.1Å; L39-M43 HydrophobicContact CD2-SD 4.15Å; L39-M43 WeakPolarHBondContact O-CG 3Å; L39-M43 PolarHBondContact O-N 2.81Å; E40-M43 HydrophobicContact CB-CE 4.18Å; E40-M43 HydrophobicContact CG-CE 3.69Å; E40-M43 CarbonylContact O-C 3.56Å; E40-M43 WeakPolarHBondContact O-CB 3.39Å; E40-M43 PolarHBondContact O-N 3.05Å; E41-M43 VanDerWaalsContact C-N 3.31Å; M43-L68 HydrophobicContact CE-CD2 4.47Å; M43-L68 HydrophobicContact SD-CD2 4.09Å; M43-L71 HydrophobicContact SD-CD1 4.42Å |
| 44 | Q | 53.6 | Low | 53.7 | Low | 156 Ų | 156 | 101.3 Ų | 101.3 | 73% | 0.729 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -91.5 | -14.4 | -179.7 | -71.3 | -82.7 | -64.3 | 0 | 0 | 113.3 | E40 E41 L42 P46 | E40-Q44 WeakPolarHBondContact O-CG 3.3Å; E40-Q44 PolarHBondContact O-N 3.44Å; E41-Q44 PolarHBondContact O-N 3.19Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.25Å; Q44-P46 WeakPolarHBondContact O-CD 3.4Å; Q44-P46 VanDerWaalsContact O-N 3.14Å |
| 45 | S | 46.9 | Very low | 53.4 | Low | 65 Ų | 65 | 107.3 Ų | 107.3 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | trans | -69.8 | 107.4 | 176.8 | -69.1 | 0 | 0 | 0 | 0 | 109 | E41 L42 | E41-S45 PolarHBondContact O-N 2.91Å; E41-S45 PolarHBondContact O-OG 2.96Å; L42-S45 PolarHBondContact O-N 2.93Å | ||
| 46 | P | 49.9 | Very low | 52.5 | Low | 107 Ų | 107 | 112.8 Ų | 112.8 | 70% | 0.695 | 63% | 0.627 | S | S | * | * | trans | -72.9 | 139 | 175.3 | -5 | 25.2 | 0 | 0 | 0 | 106.8 | Q44 G48 | Q44-P46 WeakPolarHBondContact O-CD 3.4Å; Q44-P46 VanDerWaalsContact O-N 3.14Å; P46-G48 PolarHBondContact O-N 3.16Å; P46-G48 VanDerWaalsContact O-N 3.12Å | ||
| 47 | A | 49.5 | Very low | 52 | Low | 97 Ų | 97 | 113.1 Ų | 113.1 | 80% | 0.802 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -34.5 | 123.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | S49 | A47-S49 PolarHBondContact O-N 3.28Š|
| 48 | G | 41.3 | Very low | 51.2 | Low | 72 Ų | 72 | 111.6 Ų | 111.6 | 74% | 0.742 | 63% | 0.63 | S | S | * | * | trans | -41.6 | 119.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P46 D50 | P46-G48 PolarHBondContact O-N 3.16Å; P46-G48 VanDerWaalsContact O-N 3.12Å; G48-D50 PolarHBondContact O-N 3.01Å | ||
| 49 | S | 40.8 | Very low | 50.6 | Low | 119 Ų | 119 | 112.9 Ų | 112.9 | 83% | 0.832 | 66% | 0.66 | S | S | * | * | trans | -13.4 | 96.4 | 164.4 | -176.8 | 0 | 0 | 0 | 0 | 113.4 | A47 | A47-S49 PolarHBondContact O-N 3.28Š| ||
| 50 | D | 49.6 | Very low | 49.9 | Very low | 146 Ų | 146 | 113.8 Ų | 113.8 | 78% | 0.781 | 67% | 0.673 | S | S | * | * | trans | -140.5 | 93.3 | 157 | -134 | 17.2 | 0 | 0 | 0 | 104 | G48 | G48-D50 PolarHBondContact O-N 3.01Š| ||
| 51 | D | 50.9 | Low | 49.5 | Very low | 141 Ų | 141 | 114.5 Ų | 114.5 | 75% | 0.754 | 68% | 0.677 | S | S | * | * | 37.5 | 96 | 113.5 | -90.1 | -19.2 | 0 | 0 | 0 | 111.7 | |||||
| 52 | D | 51.1 | Low | 49.1 | Very low | 138 Ų | 138 | 111.8 Ų | 111.8 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | 173 | 146.2 | 96.6 | -121.5 | -32.6 | 0 | 0 | 0 | 111.1 | |||||
| 53 | D | 52.5 | Low | 48.8 | Very low | 133 Ų | 133 | 115.7 Ų | 115.7 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | trans | 60.9 | 103.6 | 155.1 | -75.5 | -40 | 0 | 0 | 0 | 120.9 | ||||
| 54 | V | 46.1 | Very low | 48.7 | Very low | 125 Ų | 125 | 120.8 Ų | 120.8 | 76% | 0.758 | 71% | 0.711 | S | S | * | * | 22.8 | 107 | 121.9 | 175.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 55 | M | 52.8 | Low | 48.6 | Very low | 177 Ų | 177 | 116.9 Ų | 116.9 | 87% | 0.872 | 70% | 0.695 | S | S | * | * | trans | -145.5 | 112.8 | 133.2 | -76.6 | -51.7 | -122.9 | 0 | 0 | 110 | D57 | M55-D57 PolarHBondContact O-N 3.41Š| ||
| 56 | E | 41.7 | Very low | 49.1 | Very low | 186 Ų | 186 | 121 Ų | 121 | 87% | 0.869 | 70% | 0.701 | S | S | * | * | trans | -58.4 | 109.2 | 157.2 | -179.9 | -175.9 | 177.9 | 0 | 0 | 108.1 | ||||
| 57 | D | 48.6 | Very low | 49.7 | Very low | 118 Ų | 118 | 119 Ų | 119 | 63% | 0.631 | 69% | 0.687 | S | S | * | * | trans | -134.5 | 86.6 | 166.1 | -158.7 | 8.9 | 0 | 0 | 0 | 111.5 | M55 G59 | M55-D57 PolarHBondContact O-N 3.41Å; D57-G59 PolarHBondContact O-N 3.11Å | ||
| 58 | T | 43.7 | Very low | 50.2 | Low | 115 Ų | 115 | 118.3 Ų | 118.3 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | 18.6 | 92.2 | 127.7 | 19.6 | 0 | 0 | 0 | 0 | 117.3 | A60 | T58-A60 PolarHBondContact O-N 2.88Š| |
| 59 | G | 47.5 | Very low | 51.2 | Low | 90 Ų | 90 | 120.9 Ų | 120.9 | 93% | 0.928 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.7 | 5.6 | 146.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | D57 Q61 | D57-G59 PolarHBondContact O-N 3.11Å; G59-Q61 PolarHBondContact O-N 3.47Å |
| 60 | A | 48.7 | Very low | 52.3 | Low | 61 Ų | 61 | 120.2 Ų | 120.2 | 50% | 0.504 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -72.8 | 117.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | T58 T62 | T58-A60 PolarHBondContact O-N 2.88Å; A60-T62 PolarHBondContact O-N 3.38Å |
| 61 | Q | 51.3 | Low | 53 | Low | 133 Ų | 133 | 114.4 Ų | 114.4 | 62% | 0.621 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 116.8 | 165 | -82.7 | -175 | -95.2 | 0 | 0 | 106.6 | G59 D65 | G59-Q61 PolarHBondContact O-N 3.47Å; Q61-D65 HydrophobicContact CB-CB 4.18Å; Q61-D65 HydrophobicContact CG-CB 4.4Å |
| 62 | T | 51.8 | Low | 53.6 | Low | 72 Ų | 72 | 110 Ų | 110 | 44% | 0.442 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 147.2 | 179.3 | 52 | 0 | 0 | 0 | 0 | 106.8 | A60 W64 D65 | A60-T62 PolarHBondContact O-N 3.38Å; T62-W64 PolarHBondContact O-N 3.3Å; T62-D65 PolarHBondContact N-OD2 2.97Å; T62-D65 VanDerWaalsContact N-OD2 3.1Å; T62-D65 WeakPolarHBondContact O-CB 3.47Å; T62-D65 PolarHBondContact O-N 3.3Å; T62-D65 PolarHBondContact OG1-N 2.89Å; T62-D65 PolarHBondContact OG1-OD2 2.91Å |
| 63 | P | 52.4 | Low | 54.2 | Low | 105 Ų | 105 | 104.8 Ų | 104.8 | 68% | 0.682 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -50.8 | -21.9 | 175.9 | -25.5 | 33.1 | 0 | 0 | 0 | 112.5 | T67 | P63-T67 PolarHBondContact O-N 3.12Å; P63-T67 PolarHBondContact O-OG1 2.94Å |
| 64 | W | 51.7 | Low | 54.7 | Low | 181 Ų | 181 | 100.4 Ų | 100.4 | 69% | 0.686 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72.9 | -38.6 | 175.9 | -67.1 | 25.4 | 0 | 0 | 0 | 112.9 | T62 W66 T67 L68 | T62-W64 PolarHBondContact O-N 3.3Å; W64-W66 VanDerWaalsContact C-N 3.33Å; W64-W66 PolarHBondContact O-N 3.5Å; W64-T67 WeakPolarHBondContact O-CB 3.36Å; W64-T67 PolarHBondContact O-N 3.02Å; W64-T67 VanDerWaalsContact O-N 3.08Å; W64-L68 WeakPolarHBondContact O-CB 3.36Å; W64-L68 VanDerWaalsContact O-CG 3.26Å; W64-L68 WeakPolarHBondContact O-CG 3.48Å; W64-L68 PolarHBondContact O-N 2.01Å |
| 65 | D | 52.1 | Low | 55.3 | Low | 73 Ų | 73 | 98.6 Ų | 98.6 | 39% | 0.39 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 175.4 | -76.5 | -56.5 | 0 | 0 | 0 | 112.4 | Q61 T62 T67 Q69 | Q61-D65 HydrophobicContact CB-CB 4.18Å; Q61-D65 HydrophobicContact CG-CB 4.4Å; T62-D65 PolarHBondContact N-OD2 2.97Å; T62-D65 VanDerWaalsContact N-OD2 3.1Å; T62-D65 WeakPolarHBondContact O-CB 3.47Å; T62-D65 PolarHBondContact O-N 3.3Å; T62-D65 PolarHBondContact OG1-N 2.89Å; T62-D65 PolarHBondContact OG1-OD2 2.91Å; D65-T67 VanDerWaalsContact C-N 3.32Å; D65-Q69 WeakPolarHBondContact O-CB 3.27Å; D65-Q69 PolarHBondContact O-N 3.48Å |
| 66 | W | 56.4 | Low | 55.5 | Low | 151 Ų | 151 | 95.8 Ų | 95.8 | 57% | 0.572 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -39.9 | 174.8 | 174.3 | -82.9 | 0 | 0 | 0 | 111.6 | W64 Q69 K70 | W64-W66 VanDerWaalsContact C-N 3.33Å; W64-W66 PolarHBondContact O-N 3.5Å; W66-Q69 PolarHBondContact O-N 3.26Å; W66-K70 PolarHBondContact O-N 2.92Å |
| 67 | T | 64.3 | Low | 56.2 | Low | 65 Ų | 65 | 90.6 Ų | 90.6 | 40% | 0.399 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.4 | -40.3 | -179.2 | -54.8 | 0 | 0 | 0 | 0 | 111 | P63 W64 D65 K70 L71 | P63-T67 PolarHBondContact O-N 3.12Å; P63-T67 PolarHBondContact O-OG1 2.94Å; W64-T67 WeakPolarHBondContact O-CB 3.36Å; W64-T67 PolarHBondContact O-N 3.02Å; W64-T67 VanDerWaalsContact O-N 3.08Å; D65-T67 VanDerWaalsContact C-N 3.32Å; T67-K70 PolarHBondContact O-N 3.48Å; T67-L71 HydrophobicContact CG2-CD1 4.32Å; T67-L71 WeakPolarHBondContact O-CG 2.87Å; T67-L71 PolarHBondContact O-N 3.25Å |
| 68 | L | 59.9 | Low | 56.4 | Low | 84 Ų | 84 | 90.3 Ų | 90.3 | 44% | 0.44 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 174.3 | -71.5 | 170.1 | 0 | 0 | 0 | 112 | M43 W64 K70 L71 A72 | M43-L68 HydrophobicContact CE-CD2 4.47Å; M43-L68 HydrophobicContact SD-CD2 4.09Å; W64-L68 WeakPolarHBondContact O-CB 3.36Å; W64-L68 VanDerWaalsContact O-CG 3.26Å; W64-L68 WeakPolarHBondContact O-CG 3.48Å; W64-L68 PolarHBondContact O-N 2.01Å; L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 2.83Å; L68-L71 PolarHBondContact O-N 3.02Å; L68-A72 WeakPolarHBondContact O-CB 3.15Å; L68-A72 PolarHBondContact O-N 2.9Å |
| 69 | Q | 62.3 | Low | 56.6 | Low | 125 Ų | 125 | 91 Ų | 91 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63 | -39.8 | 176.2 | -173.8 | 177.2 | 83.8 | 0 | 0 | 111.6 | D65 W66 C73 | D65-Q69 WeakPolarHBondContact O-CB 3.27Å; D65-Q69 PolarHBondContact O-N 3.48Å; W66-Q69 PolarHBondContact O-N 3.26Å; Q69-C73 VanDerWaalsContact O-CB 3.28Å; Q69-C73 WeakPolarHBondContact O-CB 3.41Å; Q69-C73 PolarHBondContact O-N 3.29Å |
| 70 | K | 63.6 | Low | 56.9 | Low | 106 Ų | 106 | 94.3 Ų | 94.3 | 46% | 0.461 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68 | -42.4 | 176.4 | -81.2 | -166.8 | 173.2 | -72.5 | 0 | 112.9 | W66 T67 L68 C73 I74 | W66-K70 PolarHBondContact O-N 2.92Å; T67-K70 PolarHBondContact O-N 3.48Å; L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 2.83Å; K70-C73 WeakPolarHBondContact O-CB 3.41Å; K70-C73 PolarHBondContact O-N 3.04Å; K70-I74 VanDerWaalsContact O-CG1 3.27Å; K70-I74 WeakPolarHBondContact O-CG1 3.11Å; K70-I74 PolarHBondContact O-N 3.39Å |
| 71 | L | 63 | Low | 56.6 | Low | 23 Ų | 23 | 95 Ų | 95 | 12% | 0.12 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 174.1 | -77.9 | 165.5 | 0 | 0 | 0 | 110.6 | F6 L10 M43 T67 L68 C73 I74 F75 | F6-L71 HydrophobicContact CE2-CD2 4.35Å; F6-L71 HydrophobicContact CZ-CD2 4.48Å; L10-L71 HydrophobicContact CD1-CD2 4.46Å; L10-L71 HydrophobicContact CD2-CD2 4.15Å; M43-L71 HydrophobicContact SD-CD1 4.42Å; T67-L71 HydrophobicContact CG2-CD1 4.32Å; T67-L71 WeakPolarHBondContact O-CG 2.87Å; T67-L71 PolarHBondContact O-N 3.25Å; L68-L71 PolarHBondContact O-N 3.02Å; L71-C73 VanDerWaalsContact C-N 3.26Å; L71-C73 PolarHBondContact O-N 3.38Å; L71-I74 PolarHBondContact O-N 2.82Å; L71-I74 VanDerWaalsContact O-N 3.16Å; L71-F75 VanDerWaalsContact O-CD2 3.3Å; L71-F75 WeakPolarHBondContact O-CD2 3.44Å; L71-F75 PolarHBondContact O-N 3.2Å |
| 72 | A | 64.3 | Low | 56.5 | Low | 50 Ų | 50 | 96.5 Ų | 96.5 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.3 | -40.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L68 Q76 | L68-A72 WeakPolarHBondContact O-CB 3.15Å; L68-A72 PolarHBondContact O-N 2.9Å; A72-Q76 WeakPolarHBondContact O-CB 3.3Å; A72-Q76 WeakPolarHBondContact O-CG 3.43Å; A72-Q76 PolarHBondContact O-N 2.9Å |
| 73 | C | 63.9 | Low | 56.4 | Low | 27 Ų | 27 | 99.7 Ų | 99.7 | 18% | 0.182 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -63.4 | -48.6 | 175.1 | 170.5 | 0 | 0 | 0 | 0 | 112.6 | Q69 K70 L71 F75 Q76 Q77 C84 | Q69-C73 VanDerWaalsContact O-CB 3.28Å; Q69-C73 WeakPolarHBondContact O-CB 3.41Å; Q69-C73 PolarHBondContact O-N 3.29Å; K70-C73 WeakPolarHBondContact O-CB 3.41Å; K70-C73 PolarHBondContact O-N 3.04Å; L71-C73 VanDerWaalsContact C-N 3.26Å; L71-C73 PolarHBondContact O-N 3.38Å; C73-F75 VanDerWaalsContact C-N 3.3Å; C73-F75 PolarHBondContact O-N 2.71Å; C73-Q76 PolarHBondContact O-N 3.47Å; C73-Q76 VanDerWaalsContact O-N 3.11Å; C73-Q77 PolarHBondContact O-N 3.18Å; C73-C84 WeakPolarHBondContact CA-SG 3.18Å; C73-C84 HydrophobicContact CB-CB 4.04Å; C73-C84 WeakPolarHBondContact CB-SG 3.1Å; C73-C84 WeakPolarHBondContact SG-CB 3.49Å; C73-C84 CovalentContact SG-SG 2.01Å; C73-C84 PolarHBondContact SG-SG 2.98Å |
| 74 | I | 62.1 | Low | 56.3 | Low | 42 Ų | 42 | 100 Ų | 100 | 22% | 0.215 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 178.1 | -67.5 | 163.5 | 0 | 0 | 0 | 110.5 | L10 K70 L71 N78 | L10-I74 HydrophobicContact CD2-CD1 3.97Å; K70-I74 VanDerWaalsContact O-CG1 3.27Å; K70-I74 WeakPolarHBondContact O-CG1 3.11Å; K70-I74 PolarHBondContact O-N 3.39Å; L71-I74 PolarHBondContact O-N 2.82Å; L71-I74 VanDerWaalsContact O-N 3.16Å; I74-N78 WeakPolarHBondContact O-CB 3.27Å; I74-N78 PolarHBondContact O-N 3.4Å; I74-N78 VanDerWaalsContact O-N 3.12Å; I74-N78 PolarHBondContact O-ND2 2.98Å |
| 75 | F | 60.3 | Low | 56.5 | Low | 87 Ų | 87 | 95.9 Ų | 95.9 | 38% | 0.382 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 174.5 | -90.4 | -81.5 | 0 | 0 | 0 | 111.8 | L39 L71 C73 N78 L79 | L39-F75 HydrophobicContact CD2-CE2 4.48Å; L71-F75 VanDerWaalsContact O-CD2 3.3Å; L71-F75 WeakPolarHBondContact O-CD2 3.44Å; L71-F75 PolarHBondContact O-N 3.2Å; C73-F75 VanDerWaalsContact C-N 3.3Å; C73-F75 PolarHBondContact O-N 2.71Å; F75-N78 PolarHBondContact O-N 3.32Å; F75-L79 HydrophobicContact CD1-CD1 4.31Å; F75-L79 WeakPolarHBondContact O-CB 3.37Å; F75-L79 WeakPolarHBondContact O-CD1 3.37Å; F75-L79 PolarHBondContact O-N 2.81Å |
| 76 | Q | 55.2 | Low | 56.8 | Low | 118 Ų | 118 | 97.1 Ų | 97.1 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.8 | -40.8 | 178.7 | -77.2 | -177.8 | -1.1 | 0 | 0 | 113.4 | A72 C73 N78 L79 K80 | A72-Q76 WeakPolarHBondContact O-CB 3.3Å; A72-Q76 WeakPolarHBondContact O-CG 3.43Å; A72-Q76 PolarHBondContact O-N 2.9Å; C73-Q76 PolarHBondContact O-N 3.47Å; C73-Q76 VanDerWaalsContact O-N 3.11Å; Q76-N78 VanDerWaalsContact C-N 3.33Å; Q76-N78 PolarHBondContact O-N 3.43Å; Q76-L79 PolarHBondContact O-N 3.32Å; Q76-K80 PolarHBondContact O-N 3.36Å |
| 77 | Q | 57.5 | Low | 56.8 | Low | 77 Ų | 77 | 94.1 Ų | 94.1 | 36% | 0.36 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 175 | -78.7 | -179.3 | -6.2 | 0 | 0 | 111 | C73 G81 Y82 D83 | C73-Q77 PolarHBondContact O-N 3.18Å; Q77-G81 PolarHBondContact O-N 3.27Å; Q77-Y82 WeakPolarHBondContact CA-O 3.23Å; Q77-Y82 WeakPolarHBondContact CG-O 3.44Å; Q77-D83 PolarHBondContact NE2-OD1 3.1Å |
| 78 | N | 51.5 | Low | 56.3 | Low | 112 Ų | 112 | 95.8 Ų | 95.8 | 60% | 0.599 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -74 | -29.6 | -178.7 | -80.4 | -74.6 | 0 | 0 | 0 | 114 | I74 F75 Q76 | I74-N78 WeakPolarHBondContact O-CB 3.27Å; I74-N78 PolarHBondContact O-N 3.4Å; I74-N78 VanDerWaalsContact O-N 3.12Å; I74-N78 PolarHBondContact O-ND2 2.98Å; F75-N78 PolarHBondContact O-N 3.32Å; Q76-N78 VanDerWaalsContact C-N 3.33Å; Q76-N78 PolarHBondContact O-N 3.43Å |
| 79 | L | 48.3 | Very low | 56.1 | Low | 130 Ų | 130 | 96.6 Ų | 96.6 | 68% | 0.681 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -86.9 | -31.6 | -179.3 | -94.3 | 135.9 | 0 | 0 | 0 | 114.4 | F75 Q76 | F75-L79 HydrophobicContact CD1-CD1 4.31Å; F75-L79 WeakPolarHBondContact O-CB 3.37Å; F75-L79 WeakPolarHBondContact O-CD1 3.37Å; F75-L79 PolarHBondContact O-N 2.81Å; Q76-L79 PolarHBondContact O-N 3.32Å |
| 80 | K | 54.2 | Low | 55.7 | Low | 159 Ų | 159 | 94.7 Ų | 94.7 | 69% | 0.691 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -134 | 0.4 | -167.2 | -65.6 | -178.5 | 179.3 | 168.3 | 0 | 115.4 | Q76 Y82 | Q76-K80 PolarHBondContact O-N 3.36Å; K80-Y82 HydrophobicContact CB-CD2 3.75Å; K80-Y82 HydrophobicContact CB-CE2 4.38Å; K80-Y82 WeakPolarHBondContact O-CD2 3.38Å; K80-Y82 PolarHBondContact O-N 3.11Å |
| 81 | G | 43.4 | Very low | 55.1 | Low | 74 Ų | 74 | 93.9 Ų | 93.9 | 76% | 0.763 | 51% | 0.507 | S | S | * | . | trans | 61.5 | 29.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q77 | Q77-G81 PolarHBondContact O-N 3.27Š| ||
| 82 | Y | 48.4 | Very low | 54.5 | Low | 166 Ų | 166 | 99.3 Ų | 99.3 | 65% | 0.651 | 54% | 0.537 | S | S | * | . | trans | -97.3 | 135.2 | 174.1 | -87.1 | -94 | 0 | 0 | 0 | 109.8 | Q77 K80 | Q77-Y82 WeakPolarHBondContact CA-O 3.23Å; Q77-Y82 WeakPolarHBondContact CG-O 3.44Å; K80-Y82 HydrophobicContact CB-CD2 3.75Å; K80-Y82 HydrophobicContact CB-CE2 4.38Å; K80-Y82 WeakPolarHBondContact O-CD2 3.38Å; K80-Y82 PolarHBondContact O-N 3.11Å | ||
| 83 | D | 50.2 | Low | 53.7 | Low | 139 Ų | 139 | 103.4 Ų | 103.4 | 74% | 0.743 | 55% | 0.547 | S | S | * | . | trans | -78.8 | 148.3 | 171.3 | -147.5 | -3.3 | 0 | 0 | 0 | 110.4 | Q77 | Q77-D83 PolarHBondContact NE2-OD1 3.1Š| ||
| 84 | C | 49.7 | Very low | 52.8 | Low | 110 Ų | 110 | 110.4 Ų | 110.4 | 74% | 0.743 | 58% | 0.58 | S | S | * | * | trans | -99.2 | 0 | 166.4 | -46.4 | 0 | 0 | 0 | 0 | 106.9 | C73 | C73-C84 WeakPolarHBondContact CA-SG 3.18Å; C73-C84 HydrophobicContact CB-CB 4.04Å; C73-C84 WeakPolarHBondContact CB-SG 3.1Å; C73-C84 WeakPolarHBondContact SG-CB 3.49Å; C73-C84 CovalentContact SG-SG 2.01Å; C73-C84 PolarHBondContact SG-SG 2.98Å |
Retrieved 84 of 84 residues in 475.6 ms
(Link to these results)