| 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 | 37.8 | Very low | 26.4 | Very low | 222 Ų | 222 | 117.5 Ų | 117.5 | 100% | 1.094 | 62% | 0.624 | S | S | * | * | 0 | -11.5 | 0 | -85.4 | -172.7 | 160.7 | 0 | 0 | 115.2 | |||||
| 2 | I | 23.7 | Very low | 27 | Very low | 152 Ų | 152 | 114.4 Ų | 114.4 | 78% | 0.779 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.8 | -31.1 | -175.3 | -72.3 | 157.3 | 0 | 0 | 0 | 114 | C6 | I2-C6 PolarHBondContact O-N 3.45Å |
| 3 | V | 23.6 | Very low | 27.5 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 69% | 0.691 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.2 | -40.6 | -174.2 | -177.2 | 0 | 0 | 0 | 0 | 112.8 | F5 C6 V7 | V3-F5 PolarHBondContact O-N 3.33Å; V3-C6 PolarHBondContact O-N 3.38Å; V3-V7 WeakPolarHBondContact O-CG2 3.45Å; V3-V7 PolarHBondContact O-N 3.49Å |
| 4 | I | 24.3 | Very low | 27.8 | Very low | 124 Ų | 124 | 119.8 Ų | 119.8 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.4 | -40.4 | -176.7 | -61.6 | 170 | 0 | 0 | 0 | 110.3 | C6 V7 I8 | I4-C6 PolarHBondContact O-N 3.46Å; I4-V7 PolarHBondContact O-N 3.28Å; I4-I8 HydrophobicContact CG2-CD1 3.86Å; I4-I8 WeakPolarHBondContact O-CD1 3.24Å; I4-I8 VanDerWaalsContact O-CG1 3.24Å; I4-I8 WeakPolarHBondContact O-CG1 3.13Å; I4-I8 PolarHBondContact O-N 3.43Å |
| 5 | F | 22.3 | Very low | 28.7 | Very low | 144 Ų | 144 | 117.2 Ų | 117.2 | 63% | 0.632 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.1 | -39.1 | 179.7 | -132.1 | -88.2 | 0 | 0 | 0 | 112.6 | V3 I8 V9 | V3-F5 PolarHBondContact O-N 3.33Å; F5-I8 PolarHBondContact O-N 3.48Å; F5-V9 WeakPolarHBondContact O-CG2 3.43Å; F5-V9 PolarHBondContact O-N 3.15Å |
| 6 | C | 21.9 | Very low | 29.3 | Very low | 87 Ų | 87 | 115.4 Ų | 115.4 | 59% | 0.588 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.4 | -34.4 | -178.5 | -149.9 | 0 | 0 | 0 | 0 | 112.5 | I2 V3 I4 V9 K10 | I2-C6 PolarHBondContact O-N 3.45Å; V3-C6 PolarHBondContact O-N 3.38Å; I4-C6 PolarHBondContact O-N 3.46Å; C6-V9 PolarHBondContact O-N 3.23Å; C6-K10 PolarHBondContact O-N 3.37Å; C6-K10 VanDerWaalsContact O-N 3.15Å |
| 7 | V | 26.3 | Very low | 29.4 | Very low | 85 Ų | 85 | 115 Ų | 115 | 52% | 0.515 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.3 | -40.2 | 174.7 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | V3 I4 V9 K10 C11 | V3-V7 WeakPolarHBondContact O-CG2 3.45Å; V3-V7 PolarHBondContact O-N 3.49Å; I4-V7 PolarHBondContact O-N 3.28Å; V7-V9 PolarHBondContact O-N 3.4Å; V7-K10 PolarHBondContact O-N 3.25Å; V7-C11 WeakPolarHBondContact O-CB 3.38Å; V7-C11 PolarHBondContact O-N 3.37Å; V7-C11 PolarHBondContact O-SG 3.1Å; V7-C11 VanDerWaalsContact O-SG 3.35Å |
| 8 | I | 27.5 | Very low | 30 | Very low | 34 Ų | 34 | 113 Ų | 113 | 17% | 0.174 | 59% | 0.586 | C | S | . | * | H | α-helix | trans | -62.7 | -44.5 | 178.5 | -63.9 | 153.2 | 0 | 0 | 0 | 110.6 | I4 F5 C11 E12 R46 | I4-I8 HydrophobicContact CG2-CD1 3.86Å; I4-I8 WeakPolarHBondContact O-CD1 3.24Å; I4-I8 VanDerWaalsContact O-CG1 3.24Å; I4-I8 WeakPolarHBondContact O-CG1 3.13Å; I4-I8 PolarHBondContact O-N 3.43Å; F5-I8 PolarHBondContact O-N 3.48Å; I8-C11 PolarHBondContact O-N 3.48Å; I8-E12 WeakPolarHBondContact O-CG 3.45Å; I8-E12 PolarHBondContact O-N 3.35Å; I8-E12 VanDerWaalsContact O-N 3.1Å; I8-R46 VanDerWaalsContact CD1-CZ 3.5Å |
| 9 | V | 26.3 | Very low | 30.6 | Very low | 87 Ų | 87 | 110.1 Ų | 110.1 | 53% | 0.527 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.6 | -39.8 | -179.6 | 175.7 | 0 | 0 | 0 | 0 | 112 | F5 C6 V7 F13 | F5-V9 WeakPolarHBondContact O-CG2 3.43Å; F5-V9 PolarHBondContact O-N 3.15Å; C6-V9 PolarHBondContact O-N 3.23Å; V7-V9 PolarHBondContact O-N 3.4Å; V9-F13 PolarHBondContact O-N 3.03Å |
| 10 | K | 26.7 | Very low | 31 | Very low | 170 Ų | 170 | 109 Ų | 109 | 74% | 0.739 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68 | -37.9 | 176.8 | -113.2 | 178.3 | 174.8 | 173.6 | 0 | 112.7 | C6 V7 F14 | C6-K10 PolarHBondContact O-N 3.37Å; C6-K10 VanDerWaalsContact O-N 3.15Å; V7-K10 PolarHBondContact O-N 3.25Å; K10-F14 PolarHBondContact O-N 3.43Å |
| 11 | C | 29.5 | Very low | 31.1 | Very low | 73 Ų | 73 | 109.3 Ų | 109.3 | 49% | 0.493 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.2 | -34 | 178.4 | -74.6 | 0 | 0 | 0 | 0 | 112.7 | V7 I8 C15 | V7-C11 WeakPolarHBondContact O-CB 3.38Å; V7-C11 PolarHBondContact O-N 3.37Å; V7-C11 PolarHBondContact O-SG 3.1Å; V7-C11 VanDerWaalsContact O-SG 3.35Å; I8-C11 PolarHBondContact O-N 3.48Å; C11-C15 WeakPolarHBondContact O-CB 3.3Å; C11-C15 PolarHBondContact O-N 3.07Å |
| 12 | E | 33.5 | Very low | 30.9 | Very low | 81 Ų | 81 | 100.4 Ų | 100.4 | 38% | 0.379 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 175.7 | -75.7 | -173.4 | 143.1 | 0 | 0 | 111.5 | I8 F14 C15 I16 | I8-E12 WeakPolarHBondContact O-CG 3.45Å; I8-E12 PolarHBondContact O-N 3.35Å; I8-E12 VanDerWaalsContact O-N 3.1Å; E12-F14 PolarHBondContact O-N 3.21Å; E12-C15 PolarHBondContact O-N 3Å; E12-I16 VanDerWaalsContact O-CD1 3.3Å; E12-I16 WeakPolarHBondContact O-CD1 3.18Å; E12-I16 WeakPolarHBondContact O-CG1 3.27Å; E12-I16 PolarHBondContact O-N 3.42Å |
| 13 | F | 34.4 | Very low | 31.4 | Very low | 154 Ų | 154 | 95.4 Ų | 95.4 | 68% | 0.675 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.1 | -40.8 | 178.5 | -151.4 | -93 | 0 | 0 | 0 | 112.1 | V9 F17 | V9-F13 PolarHBondContact O-N 3.03Å; F13-F17 VanDerWaalsContact O-CB 3.27Å; F13-F17 WeakPolarHBondContact O-CB 3.46Å; F13-F17 PolarHBondContact O-N 2.82Å |
| 14 | F | 31.3 | Very low | 32 | Very low | 150 Ų | 150 | 97.9 Ų | 97.9 | 66% | 0.658 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.8 | -43.8 | 179 | -158.8 | -98.6 | 0 | 0 | 0 | 111.9 | K10 E12 I16 F17 T18 | K10-F14 PolarHBondContact O-N 3.43Å; E12-F14 PolarHBondContact O-N 3.21Å; F14-I16 VanDerWaalsContact C-N 3.34Å; F14-I16 PolarHBondContact O-N 3.45Å; F14-F17 PolarHBondContact O-N 2.9Å; F14-T18 PolarHBondContact O-N 3.19Å; F14-T18 PolarHBondContact O-OG1 3.02Å |
| 15 | C | 41.3 | Very low | 32.6 | Very low | 81 Ų | 81 | 98.6 Ų | 98.6 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 177.1 | -84 | 0 | 0 | 0 | 0 | 112.6 | C11 E12 F19 | C11-C15 WeakPolarHBondContact O-CB 3.3Å; C11-C15 PolarHBondContact O-N 3.07Å; E12-C15 PolarHBondContact O-N 3Å; C15-F19 WeakPolarHBondContact O-CB 3.45Å; C15-F19 PolarHBondContact O-N 3.34Å; C15-F19 VanDerWaalsContact O-N 3.1Å |
| 16 | I | 38.1 | Very low | 33.3 | Very low | 89 Ų | 89 | 96.3 Ų | 96.3 | 46% | 0.456 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 175.5 | -65.8 | 163 | 0 | 0 | 0 | 110 | E12 F14 F19 I20 | E12-I16 VanDerWaalsContact O-CD1 3.3Å; E12-I16 WeakPolarHBondContact O-CD1 3.18Å; E12-I16 WeakPolarHBondContact O-CG1 3.27Å; E12-I16 PolarHBondContact O-N 3.42Å; F14-I16 VanDerWaalsContact C-N 3.34Å; F14-I16 PolarHBondContact O-N 3.45Å; I16-F19 PolarHBondContact O-N 3.45Å; I16-I20 HydrophobicContact CG2-CD1 3.72Å; I16-I20 HydrophobicContact CG2-CG1 4.41Å; I16-I20 VanDerWaalsContact O-CG1 3.25Å; I16-I20 WeakPolarHBondContact O-CG1 3.25Å; I16-I20 PolarHBondContact O-N 2.94Å |
| 17 | F | 31.2 | Very low | 33.9 | Very low | 108 Ų | 108 | 100.7 Ų | 100.7 | 47% | 0.474 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -45.7 | -178.4 | -157.4 | -94.7 | 0 | 0 | 0 | 112.5 | F13 F14 F19 I20 F21 | F13-F17 VanDerWaalsContact O-CB 3.27Å; F13-F17 WeakPolarHBondContact O-CB 3.46Å; F13-F17 PolarHBondContact O-N 2.82Å; F14-F17 PolarHBondContact O-N 2.9Å; F17-F19 VanDerWaalsContact C-N 3.26Å; F17-F19 PolarHBondContact O-N 3.03Å; F17-I20 PolarHBondContact O-N 3.38Å; F17-F21 AromaticContact CD1-CD2 3.79Å; F17-F21 HydrophobicContact CD1-CD2 3.79Å; F17-F21 AromaticContact CD1-CE2 3.94Å; F17-F21 HydrophobicContact CD1-CE2 3.94Å; F17-F21 AromaticContact CE1-CD2 3.58Å; F17-F21 HydrophobicContact CE1-CD2 3.58Å; F17-F21 AromaticContact CE1-CE2 3.23Å; F17-F21 HydrophobicContact CE1-CE2 3.23Å; F17-F21 HydrophobicContact CE1-CZ 4.2Å; F17-F21 HydrophobicContact CE2-CE2 4.35Å; F17-F21 HydrophobicContact CZ-CD2 4.17Å; F17-F21 AromaticContact CZ-CE2 3.49Å; F17-F21 HydrophobicContact CZ-CE2 3.49Å; F17-F21 VanDerWaalsContact CZ-CE2 3.49Å; F17-F21 HydrophobicContact CZ-CZ 4.42Å; F17-F21 PolarHBondContact O-N 2.87Å |
| 18 | T | 40.5 | Very low | 34.5 | Very low | 79 Ų | 79 | 100.6 Ų | 100.6 | 49% | 0.485 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | -31 | 176.8 | -40.6 | 0 | 0 | 0 | 0 | 111.7 | F14 G22 | F14-T18 PolarHBondContact O-N 3.19Å; F14-T18 PolarHBondContact O-OG1 3.02Å; T18-G22 PolarHBondContact O-N 3.36Å |
| 19 | F | 42 | Very low | 35 | Very low | 57 Ų | 57 | 106.5 Ų | 106.5 | 25% | 0.25 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -72.7 | -40.9 | 176.5 | -165.4 | -92.7 | 0 | 0 | 0 | 112.1 | C15 I16 F17 G22 C23 I56 | C15-F19 WeakPolarHBondContact O-CB 3.45Å; C15-F19 PolarHBondContact O-N 3.34Å; C15-F19 VanDerWaalsContact O-N 3.1Å; I16-F19 PolarHBondContact O-N 3.45Å; F17-F19 VanDerWaalsContact C-N 3.26Å; F17-F19 PolarHBondContact O-N 3.03Å; F19-G22 PolarHBondContact O-N 3.02Å; F19-C23 PolarHBondContact O-N 3.1Å; F19-C23 PolarHBondContact O-SG 3Å; F19-C23 VanDerWaalsContact O-SG 3.38Å; F19-I56 HydrophobicContact CE2-CG2 4Å; F19-I56 HydrophobicContact CZ-CD1 4.06Å; F19-I56 HydrophobicContact CZ-CG2 3.77Å |
| 20 | I | 38.4 | Very low | 35.8 | Very low | 88 Ų | 88 | 106.5 Ų | 106.5 | 45% | 0.451 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.1 | -45 | 174.2 | -69 | 166.9 | 0 | 0 | 0 | 110.9 | I16 F17 G22 C23 F24 | I16-I20 HydrophobicContact CG2-CD1 3.72Å; I16-I20 HydrophobicContact CG2-CG1 4.41Å; I16-I20 VanDerWaalsContact O-CG1 3.25Å; I16-I20 WeakPolarHBondContact O-CG1 3.25Å; I16-I20 PolarHBondContact O-N 2.94Å; F17-I20 PolarHBondContact O-N 3.38Å; I20-G22 VanDerWaalsContact C-N 3.35Å; I20-G22 PolarHBondContact O-N 3.31Å; I20-C23 PolarHBondContact O-N 2.84Å; I20-F24 PolarHBondContact O-N 3.36Å |
| 21 | F | 33 | Very low | 36.3 | Very low | 117 Ų | 117 | 107.3 Ų | 107.3 | 51% | 0.513 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 176.5 | -97.3 | -91.4 | 0 | 0 | 0 | 112.3 | F17 F24 I25 | F17-F21 AromaticContact CD1-CD2 3.79Å; F17-F21 HydrophobicContact CD1-CD2 3.79Å; F17-F21 AromaticContact CD1-CE2 3.94Å; F17-F21 HydrophobicContact CD1-CE2 3.94Å; F17-F21 AromaticContact CE1-CD2 3.58Å; F17-F21 HydrophobicContact CE1-CD2 3.58Å; F17-F21 AromaticContact CE1-CE2 3.23Å; F17-F21 HydrophobicContact CE1-CE2 3.23Å; F17-F21 HydrophobicContact CE1-CZ 4.2Å; F17-F21 HydrophobicContact CE2-CE2 4.35Å; F17-F21 HydrophobicContact CZ-CD2 4.17Å; F17-F21 AromaticContact CZ-CE2 3.49Å; F17-F21 HydrophobicContact CZ-CE2 3.49Å; F17-F21 VanDerWaalsContact CZ-CE2 3.49Å; F17-F21 HydrophobicContact CZ-CZ 4.42Å; F17-F21 PolarHBondContact O-N 2.87Å; F21-F24 PolarHBondContact O-N 3.42Å; F21-I25 WeakPolarHBondContact O-CD1 3.4Å; F21-I25 WeakPolarHBondContact O-CG1 3.45Å |
| 22 | G | 32.5 | Very low | 36.5 | Very low | 34 Ų | 34 | 108.7 Ų | 108.7 | 35% | 0.351 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.3 | -35.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T18 F19 I20 F24 I25 | T18-G22 PolarHBondContact O-N 3.36Å; F19-G22 PolarHBondContact O-N 3.02Å; I20-G22 VanDerWaalsContact C-N 3.35Å; I20-G22 PolarHBondContact O-N 3.31Å; G22-F24 VanDerWaalsContact C-N 3.29Å; G22-F24 PolarHBondContact O-N 3.29Å; G22-I25 PolarHBondContact O-N 3.07Å |
| 23 | C | 34.3 | Very low | 36.7 | Very low | 47 Ų | 47 | 107.2 Ų | 107.2 | 32% | 0.318 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.9 | -23.4 | 175 | -72.6 | 0 | 0 | 0 | 0 | 113.6 | F19 I20 | F19-C23 PolarHBondContact O-N 3.1Å; F19-C23 PolarHBondContact O-SG 3Å; F19-C23 VanDerWaalsContact O-SG 3.38Å; I20-C23 PolarHBondContact O-N 2.84Å |
| 24 | F | 36.3 | Very low | 36.9 | Very low | 167 Ų | 167 | 102.3 Ų | 102.3 | 73% | 0.732 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -80.2 | -17.2 | 177.6 | -111.9 | -90 | 0 | 0 | 0 | 113.9 | I20 F21 G22 | I20-F24 PolarHBondContact O-N 3.36Å; F21-F24 PolarHBondContact O-N 3.42Å; G22-F24 VanDerWaalsContact C-N 3.29Å; G22-F24 PolarHBondContact O-N 3.29Å |
| 25 | I | 36.9 | Very low | 37.2 | Very low | 139 Ų | 139 | 101.9 Ų | 101.9 | 71% | 0.713 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -90.6 | -11.6 | -175.7 | -66.8 | 165.6 | 0 | 0 | 0 | 111.9 | F21 G22 | F21-I25 WeakPolarHBondContact O-CD1 3.4Å; F21-I25 WeakPolarHBondContact O-CG1 3.45Å; G22-I25 PolarHBondContact O-N 3.07Å |
| 26 | I | 37.6 | Very low | 37 | Very low | 95 Ų | 95 | 100.7 Ų | 100.7 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -101.2 | 124.9 | -179.6 | -58.8 | 172.5 | 0 | 0 | 0 | 108.7 | L60 | I26-L60 HydrophobicContact CD1-CD2 4.19Š|
| 27 | E | 34.3 | Very low | 37 | Very low | 179 Ų | 179 | 97.6 Ų | 97.6 | 84% | 0.836 | 52% | 0.517 | S | S | * | . | trans | -40.9 | 145.4 | -179.1 | -69.4 | 171.3 | 146.1 | 0 | 0 | 114.8 | D29 | E27-D29 PolarHBondContact O-N 2.79Š| ||
| 28 | A | 38.9 | Very low | 36.9 | Very low | 84 Ų | 84 | 94.9 Ų | 94.9 | 69% | 0.694 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 26 | -157.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 29 | D | 38.3 | Very low | 36.6 | Very low | 158 Ų | 158 | 94.8 Ų | 94.8 | 85% | 0.845 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 7.8 | -175.2 | -88.4 | -52.3 | 0 | 0 | 0 | 115 | E27 | E27-D29 PolarHBondContact O-N 2.79Š|
| 30 | L | 44 | Very low | 36.5 | Very low | 87 Ų | 87 | 93.6 Ų | 93.6 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | trans | -122.1 | 21.5 | -176.4 | -121.2 | 87.1 | 0 | 0 | 0 | 115.5 | V34 | L30-V34 HydrophobicContact CB-CG2 4.47Å; L30-V34 HydrophobicContact CD2-CG2 4.22Å; L30-V34 WeakPolarHBondContact O-CG2 3.2Å | ||
| 31 | W | 36.2 | Very low | 36.4 | Very low | 187 Ų | 187 | 91.1 Ų | 91.1 | 71% | 0.708 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.8 | -35.7 | -171.1 | -96.9 | 39.2 | 0 | 0 | 0 | 117.3 | F35 | W31-F35 VanDerWaalsContact O-CB 3.29Å; W31-F35 WeakPolarHBondContact O-CB 3.47Å; W31-F35 PolarHBondContact O-N 3Å |
| 32 | P | 34.5 | Very low | 36.7 | Very low | 102 Ų | 102 | 92.8 Ų | 92.8 | 66% | 0.662 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -77.7 | -29.6 | -176.8 | 25.2 | -28.7 | 0 | 0 | 0 | 113.1 | V36 | P32-V36 WeakPolarHBondContact O-CG2 3.24Å |
| 33 | A | 36.9 | Very low | 37 | Very low | 50 Ų | 50 | 100.7 Ų | 100.7 | 41% | 0.413 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -80.8 | -25.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 34 | V | 38.7 | Very low | 37.3 | Very low | 50 Ų | 50 | 100.2 Ų | 100.2 | 30% | 0.303 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -90.9 | -32.2 | -178 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | L30 A37 C38 | L30-V34 HydrophobicContact CB-CG2 4.47Å; L30-V34 HydrophobicContact CD2-CG2 4.22Å; L30-V34 WeakPolarHBondContact O-CG2 3.2Å; V34-A37 PolarHBondContact O-N 3.25Å; V34-C38 PolarHBondContact O-N 3.46Å |
| 35 | F | 37 | Very low | 37.5 | Very low | 141 Ų | 141 | 94.9 Ų | 94.9 | 62% | 0.618 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.1 | -37.3 | -179.4 | -161.2 | -96.4 | 0 | 0 | 0 | 113.4 | W31 A37 C38 C39 | W31-F35 VanDerWaalsContact O-CB 3.29Å; W31-F35 WeakPolarHBondContact O-CB 3.47Å; W31-F35 PolarHBondContact O-N 3Å; F35-A37 VanDerWaalsContact C-N 3.33Å; F35-A37 PolarHBondContact O-N 3.4Å; F35-C38 WeakPolarHBondContact O-CB 3.48Å; F35-C38 PolarHBondContact O-N 3.42Å; F35-C39 PolarHBondContact O-N 3.35Å |
| 36 | V | 37 | Very low | 37.8 | Very low | 56 Ų | 56 | 95.2 Ų | 95.2 | 34% | 0.339 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -36.6 | 178.2 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | P32 C38 C39 T40 L108 | P32-V36 WeakPolarHBondContact O-CG2 3.24Å; V36-C38 VanDerWaalsContact C-N 3.34Å; V36-C38 PolarHBondContact O-N 3.3Å; V36-C39 PolarHBondContact O-N 3.49Å; V36-T40 PolarHBondContact O-N 3.43Å; V36-T40 PolarHBondContact O-OG1 2.97Å; V36-L108 HydrophobicContact CG1-CD2 3.89Å |
| 37 | A | 37.8 | Very low | 38.1 | Very low | 25 Ų | 25 | 94.9 Ų | 94.9 | 21% | 0.207 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V34 F35 C39 T40 I41 I56 | V34-A37 PolarHBondContact O-N 3.25Å; F35-A37 VanDerWaalsContact C-N 3.33Å; F35-A37 PolarHBondContact O-N 3.4Å; A37-C39 PolarHBondContact O-N 3.38Å; A37-T40 PolarHBondContact O-N 3.03Å; A37-I41 WeakPolarHBondContact O-CD1 3.49Å; A37-I41 WeakPolarHBondContact O-CG1 3.45Å; A37-I56 HydrophobicContact CB-CD1 4.16Å |
| 38 | C | 31.2 | Very low | 38.6 | Very low | 50 Ų | 50 | 88.6 Ų | 88.6 | 34% | 0.338 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 178 | -71.5 | 0 | 0 | 0 | 0 | 113.7 | V34 F35 V36 T40 | V34-C38 PolarHBondContact O-N 3.46Å; F35-C38 WeakPolarHBondContact O-CB 3.48Å; F35-C38 PolarHBondContact O-N 3.42Å; V36-C38 VanDerWaalsContact C-N 3.34Å; V36-C38 PolarHBondContact O-N 3.3Å; C38-T40 VanDerWaalsContact C-N 3.3Å; C38-T40 PolarHBondContact O-N 3.28Å |
| 39 | C | 33.2 | Very low | 38.7 | Very low | 77 Ų | 77 | 86.3 Ų | 86.3 | 52% | 0.52 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.6 | -20.9 | 178.1 | -71 | 0 | 0 | 0 | 0 | 113.9 | F35 V36 A37 | F35-C39 PolarHBondContact O-N 3.35Å; V36-C39 PolarHBondContact O-N 3.49Å; A37-C39 PolarHBondContact O-N 3.38Å |
| 40 | T | 39.2 | Very low | 38.9 | Very low | 32 Ų | 32 | 82.6 Ų | 82.6 | 20% | 0.196 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -82.7 | -20.5 | -178.7 | -35.9 | 0 | 0 | 0 | 0 | 112.1 | V36 A37 C38 I42 M44 F52 F104 | V36-T40 PolarHBondContact O-N 3.43Å; V36-T40 PolarHBondContact O-OG1 2.97Å; A37-T40 PolarHBondContact O-N 3.03Å; C38-T40 VanDerWaalsContact C-N 3.3Å; C38-T40 PolarHBondContact O-N 3.28Å; T40-I42 VanDerWaalsContact C-N 3.3Å; T40-I42 PolarHBondContact O-N 3.45Å; T40-M44 WeakPolarHBondContact O-CG 3.49Å; T40-F52 HydrophobicContact CG2-CE1 4.43Å; T40-F104 HydrophobicContact CG2-CE1 4.34Å; T40-F104 HydrophobicContact CG2-CZ 4.38Å |
| 41 | I | 37.4 | Very low | 39.2 | Very low | 36 Ų | 36 | 79.7 Ų | 79.7 | 19% | 0.185 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -70.5 | -24.8 | -176.7 | -72.8 | 171.9 | 0 | 0 | 0 | 112.1 | A37 K43 M49 | A37-I41 WeakPolarHBondContact O-CD1 3.49Å; A37-I41 WeakPolarHBondContact O-CG1 3.45Å; I41-K43 PolarHBondContact O-N 3.31Å; I41-M49 HydrophobicContact CB-SD 4.42Å; I41-M49 HydrophobicContact CG2-CE 3.38Å; I41-M49 HydrophobicContact CG2-SD 3.59Å; I41-M49 VanDerWaalsContact CG2-SD 3.59Å |
| 42 | I | 38 | Very low | 39.9 | Very low | 152 Ų | 152 | 72.4 Ų | 72.4 | 78% | 0.779 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -74.3 | -10.3 | -174.1 | -61.6 | 172.3 | 0 | 0 | 0 | 113 | T40 | T40-I42 VanDerWaalsContact C-N 3.3Å; T40-I42 PolarHBondContact O-N 3.45Å |
| 43 | K | 39.5 | Very low | 40.7 | Very low | 200 Ų | 200 | 70.7 Ų | 70.7 | 87% | 0.87 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -115.3 | 5.4 | -178.5 | -115.6 | 178.5 | -179.8 | 175.7 | 0 | 115.1 | I41 | I41-K43 PolarHBondContact O-N 3.31Š|
| 44 | M | 40.2 | Very low | 41.5 | Very low | 38 Ų | 38 | 71.2 Ų | 71.2 | 19% | 0.187 | 39% | 0.391 | C | S | . | . | trans | -113.4 | 114.7 | -166.7 | -72.4 | -60.4 | -116.3 | 0 | 0 | 111.6 | T40 N48 M49 F52 F104 | T40-M44 WeakPolarHBondContact O-CG 3.49Å; M44-N48 HydrophobicContact CB-CB 3.74Å; M44-N48 HydrophobicContact CE-CB 4.02Å; M44-N48 WeakPolarHBondContact CE-ND2 3.26Å; M44-N48 HydrophobicContact CG-CB 4.24Å; M44-N48 HydrophobicContact SD-CB 4.19Å; M44-N48 PolarHBondContact SD-ND2 3.05Å; M44-M49 HydrophobicContact CB-SD 4.44Å; M44-M49 WeakPolarHBondContact O-CG 3.32Å; M44-F52 HydrophobicContact CE-CE2 3.6Å; M44-F52 HydrophobicContact CE-CZ 4.04Å; M44-F104 HydrophobicContact CE-CE1 4.11Å; M44-F104 HydrophobicContact CE-CZ 4.32Å; M44-F104 HydrophobicContact SD-CZ 4.49Å | ||
| 45 | G | 41.3 | Very low | 42.1 | Very low | 54 Ų | 54 | 69.7 Ų | 69.7 | 56% | 0.557 | 38% | 0.384 | S | S | * | . | trans | -58 | 163.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C47 N48 | G45-C47 PolarHBondContact O-N 2.99Å; G45-N48 PolarHBondContact O-N 3.46Å | ||
| 46 | R | 42.6 | Very low | 42.9 | Very low | 147 Ų | 147 | 64.5 Ų | 64.5 | 56% | 0.555 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -43.5 | -28.7 | -168.7 | -67.9 | 171.8 | 68.3 | 173.8 | -1.6 | 117.6 | I8 | I8-R46 VanDerWaalsContact CD1-CZ 3.5Å |
| 47 | C | 44.4 | Very low | 43.7 | Very low | 88 Ų | 88 | 66.5 Ų | 66.5 | 60% | 0.595 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -78.8 | -29.5 | 177.4 | -69.5 | 0 | 0 | 0 | 0 | 113.5 | G45 I51 | G45-C47 PolarHBondContact O-N 2.99Å; C47-I51 WeakPolarHBondContact O-CG1 3.21Å |
| 48 | N | 44.5 | Very low | 44.3 | Very low | 47 Ų | 47 | 68.1 Ų | 68.1 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -81.7 | -31.5 | -177.3 | -74.7 | -7.5 | 0 | 0 | 0 | 111.2 | M44 G45 C50 I51 F52 | M44-N48 HydrophobicContact CB-CB 3.74Å; M44-N48 HydrophobicContact CE-CB 4.02Å; M44-N48 WeakPolarHBondContact CE-ND2 3.26Å; M44-N48 HydrophobicContact CG-CB 4.24Å; M44-N48 HydrophobicContact SD-CB 4.19Å; M44-N48 PolarHBondContact SD-ND2 3.05Å; G45-N48 PolarHBondContact O-N 3.46Å; N48-C50 VanDerWaalsContact C-N 3.31Å; N48-C50 PolarHBondContact O-N 3.47Å; N48-I51 PolarHBondContact O-N 2.96Å; N48-I51 VanDerWaalsContact O-N 3.13Å; N48-F52 VanDerWaalsContact O-CD2 3.26Å; N48-F52 WeakPolarHBondContact O-CD2 3.44Å; N48-F52 PolarHBondContact O-N 3.18Å |
| 49 | M | 41.3 | Very low | 45.2 | Very low | 36 Ų | 36 | 69.3 Ų | 69.3 | 18% | 0.177 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -54.9 | -45.4 | 177.9 | -59.6 | -67.6 | -91.8 | 0 | 0 | 112.2 | I41 M44 I51 F52 I53 | I41-M49 HydrophobicContact CB-SD 4.42Å; I41-M49 HydrophobicContact CG2-CE 3.38Å; I41-M49 HydrophobicContact CG2-SD 3.59Å; I41-M49 VanDerWaalsContact CG2-SD 3.59Å; M44-M49 HydrophobicContact CB-SD 4.44Å; M44-M49 WeakPolarHBondContact O-CG 3.32Å; M49-I51 VanDerWaalsContact C-N 3.34Å; M49-I51 PolarHBondContact O-N 3.13Å; M49-F52 PolarHBondContact O-N 2.75Å; M49-I53 WeakPolarHBondContact O-CD1 3.37Å; M49-I53 VanDerWaalsContact O-CG1 3.24Å; M49-I53 WeakPolarHBondContact O-CG1 3.32Å; M49-I53 PolarHBondContact O-N 3.05Å |
| 50 | C | 42.5 | Very low | 45.9 | Very low | 80 Ų | 80 | 69.1 Ų | 69.1 | 54% | 0.541 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.1 | -35.9 | -179.8 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | N48 T54 | N48-C50 VanDerWaalsContact C-N 3.31Å; N48-C50 PolarHBondContact O-N 3.47Å; C50-T54 WeakPolarHBondContact O-CB 3.44Å; C50-T54 PolarHBondContact O-N 2.99Å; C50-T54 PolarHBondContact O-OG1 3.46Å |
| 51 | I | 49.1 | Very low | 46.4 | Very low | 26 Ų | 26 | 74.2 Ų | 74.2 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.2 | -43.2 | 179 | -62.1 | 170.3 | 0 | 0 | 0 | 109.8 | C47 N48 M49 T54 A55 L84 | C47-I51 WeakPolarHBondContact O-CG1 3.21Å; N48-I51 PolarHBondContact O-N 2.96Å; N48-I51 VanDerWaalsContact O-N 3.13Å; M49-I51 VanDerWaalsContact C-N 3.34Å; M49-I51 PolarHBondContact O-N 3.13Å; I51-T54 PolarHBondContact O-N 2.9Å; I51-A55 WeakPolarHBondContact O-CB 3.22Å; I51-A55 PolarHBondContact O-N 2.99Å; I51-L84 HydrophobicContact CG2-CD2 3.48Å; I51-L84 VanDerWaalsContact CG2-CD2 3.48Å |
| 52 | F | 52.1 | Low | 46.7 | Very low | 33 Ų | 33 | 73.9 Ų | 73.9 | 15% | 0.145 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 178.1 | -86 | -96.8 | 0 | 0 | 0 | 112.1 | T40 M44 N48 M49 T54 A55 I56 | T40-F52 HydrophobicContact CG2-CE1 4.43Å; M44-F52 HydrophobicContact CE-CE2 3.6Å; M44-F52 HydrophobicContact CE-CZ 4.04Å; N48-F52 VanDerWaalsContact O-CD2 3.26Å; N48-F52 WeakPolarHBondContact O-CD2 3.44Å; N48-F52 PolarHBondContact O-N 3.18Å; M49-F52 PolarHBondContact O-N 2.75Å; F52-T54 VanDerWaalsContact C-N 3.35Å; F52-T54 PolarHBondContact O-N 3.5Å; F52-A55 PolarHBondContact O-N 3.43Å; F52-I56 WeakPolarHBondContact O-CD1 3.45Å; F52-I56 VanDerWaalsContact O-CG1 3.22Å; F52-I56 WeakPolarHBondContact O-CG1 3.4Å; F52-I56 PolarHBondContact O-N 3.21Å |
| 53 | I | 51.2 | Low | 47.1 | Very low | 67 Ų | 67 | 71.4 Ų | 71.4 | 34% | 0.344 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 176.5 | -66.6 | 164.3 | 0 | 0 | 0 | 110.7 | M49 A55 I56 I57 | M49-I53 WeakPolarHBondContact O-CD1 3.37Å; M49-I53 VanDerWaalsContact O-CG1 3.24Å; M49-I53 WeakPolarHBondContact O-CG1 3.32Å; M49-I53 PolarHBondContact O-N 3.05Å; I53-A55 PolarHBondContact O-N 2.81Å; I53-I56 PolarHBondContact O-N 3.41Å; I53-I57 HydrophobicContact CG2-CD1 3.81Å; I53-I57 HydrophobicContact CG2-CG1 4.47Å; I53-I57 VanDerWaalsContact O-CG1 3.32Å; I53-I57 WeakPolarHBondContact O-CG1 3.42Å; I53-I57 PolarHBondContact O-N 3.49Å |
| 54 | T | 52.5 | Low | 47.4 | Very low | 61 Ų | 61 | 70.2 Ų | 70.2 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 178.8 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | C50 I51 F52 I56 I57 F58 M75 | C50-T54 WeakPolarHBondContact O-CB 3.44Å; C50-T54 PolarHBondContact O-N 2.99Å; C50-T54 PolarHBondContact O-OG1 3.46Å; I51-T54 PolarHBondContact O-N 2.9Å; F52-T54 VanDerWaalsContact C-N 3.35Å; F52-T54 PolarHBondContact O-N 3.5Å; T54-I56 PolarHBondContact O-N 3.31Å; T54-I57 PolarHBondContact O-N 3.42Å; T54-F58 WeakPolarHBondContact O-CB 3.29Å; T54-F58 PolarHBondContact O-N 3.42Å; T54-M75 HydrophobicContact CG2-CE 3.98Å |
| 55 | A | 52 | Low | 47.8 | Very low | 18 Ų | 18 | 74.8 Ų | 74.8 | 15% | 0.149 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I51 F52 I53 F58 K59 F86 | I51-A55 WeakPolarHBondContact O-CB 3.22Å; I51-A55 PolarHBondContact O-N 2.99Å; F52-A55 PolarHBondContact O-N 3.43Å; I53-A55 PolarHBondContact O-N 2.81Å; A55-F58 PolarHBondContact O-N 3.4Å; A55-K59 PolarHBondContact O-N 3.49Å; A55-F86 HydrophobicContact CB-CE1 3.68Å; A55-F86 HydrophobicContact CB-CZ 3.83Å |
| 56 | I | 53.4 | Low | 47.8 | Very low | 31 Ų | 31 | 75.3 Ų | 75.3 | 16% | 0.159 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.1 | -46.5 | 177.5 | -64.4 | 161.2 | 0 | 0 | 0 | 110.9 | F19 A37 F52 I53 T54 F58 K59 L60 | F19-I56 HydrophobicContact CE2-CG2 4Å; F19-I56 HydrophobicContact CZ-CD1 4.06Å; F19-I56 HydrophobicContact CZ-CG2 3.77Å; A37-I56 HydrophobicContact CB-CD1 4.16Å; F52-I56 WeakPolarHBondContact O-CD1 3.45Å; F52-I56 VanDerWaalsContact O-CG1 3.22Å; F52-I56 WeakPolarHBondContact O-CG1 3.4Å; F52-I56 PolarHBondContact O-N 3.21Å; I53-I56 PolarHBondContact O-N 3.41Å; T54-I56 PolarHBondContact O-N 3.31Å; I56-F58 PolarHBondContact O-N 3.5Å; I56-K59 PolarHBondContact O-N 2.94Å; I56-L60 HydrophobicContact CG2-CD1 3.88Å; I56-L60 PolarHBondContact O-N 2.85Å |
| 57 | I | 54.2 | Low | 47.8 | Very low | 99 Ų | 99 | 76.6 Ų | 76.6 | 51% | 0.508 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58 | -39.7 | 174.7 | -66.6 | 168.6 | 0 | 0 | 0 | 110.7 | I53 T54 L60 K61 | I53-I57 HydrophobicContact CG2-CD1 3.81Å; I53-I57 HydrophobicContact CG2-CG1 4.47Å; I53-I57 VanDerWaalsContact O-CG1 3.32Å; I53-I57 WeakPolarHBondContact O-CG1 3.42Å; I53-I57 PolarHBondContact O-N 3.49Å; T54-I57 PolarHBondContact O-N 3.42Å; I57-L60 PolarHBondContact O-N 3.19Å; I57-K61 WeakPolarHBondContact O-CB 3.47Å; I57-K61 PolarHBondContact O-N 3.45Å |
| 58 | F | 51.2 | Low | 47.9 | Very low | 58 Ų | 58 | 79.6 Ų | 79.6 | 25% | 0.254 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 177.7 | -164.6 | -94.4 | 0 | 0 | 0 | 112.2 | T54 A55 I56 K61 C62 M71 F88 | T54-F58 WeakPolarHBondContact O-CB 3.29Å; T54-F58 PolarHBondContact O-N 3.42Å; A55-F58 PolarHBondContact O-N 3.4Å; I56-F58 PolarHBondContact O-N 3.5Å; F58-K61 PolarHBondContact O-N 3.29Å; F58-C62 WeakPolarHBondContact CE1-SG 3.26Å; F58-C62 WeakPolarHBondContact O-CB 3.49Å; F58-C62 PolarHBondContact O-N 3.02Å; F58-C62 PolarHBondContact O-SG 3.5Å; F58-M71 HydrophobicContact CE1-CB 4.4Å; F58-M71 HydrophobicContact CZ-CB 3.98Å; F58-M71 HydrophobicContact CZ-CG 4.36Å; F58-F88 AromaticContact CD1-CE2 3.88Å; F58-F88 HydrophobicContact CD1-CE2 3.88Å; F58-F88 HydrophobicContact CD1-CZ 4.11Å; F58-F88 AromaticContact CE1-CE2 3.92Å; F58-F88 HydrophobicContact CE1-CE2 3.92Å |
| 59 | K | 49.7 | Very low | 47.6 | Very low | 76 Ų | 76 | 79.1 Ų | 79.1 | 33% | 0.33 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 175.2 | -160.5 | -166.1 | -174.6 | -169 | 0 | 111.3 | A55 I56 K61 C62 I63 F88 | A55-K59 PolarHBondContact O-N 3.49Å; I56-K59 PolarHBondContact O-N 2.94Å; K59-K61 VanDerWaalsContact C-N 3.31Å; K59-K61 PolarHBondContact O-N 3.18Å; K59-C62 PolarHBondContact O-N 2.95Å; K59-I63 HydrophobicContact CD-CD1 4.35Å; K59-I63 HydrophobicContact CG-CD1 4.02Å; K59-I63 VanDerWaalsContact O-CG1 3.26Å; K59-I63 WeakPolarHBondContact O-CG1 3.38Å; K59-I63 PolarHBondContact O-N 3.47Å; K59-F88 HydrophobicContact CG-CE1 4.2Å |
| 60 | L | 48.7 | Very low | 47.7 | Very low | 72 Ų | 72 | 81.1 Ų | 81.1 | 38% | 0.377 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -55.7 | -46.4 | 172.9 | -88 | 147.8 | 0 | 0 | 0 | 111 | I26 I56 I57 C62 F64 | I26-L60 HydrophobicContact CD1-CD2 4.19Å; I56-L60 HydrophobicContact CG2-CD1 3.88Å; I56-L60 PolarHBondContact O-N 2.85Å; I57-L60 PolarHBondContact O-N 3.19Å; L60-C62 PolarHBondContact O-N 3.32Å; L60-F64 WeakPolarHBondContact O-CB 3.39Å; L60-F64 WeakPolarHBondContact O-CD2 3.35Å; L60-F64 PolarHBondContact O-N 3.4Å |
| 61 | K | 47.8 | Very low | 47.6 | Very low | 140 Ų | 140 | 82.6 Ų | 82.6 | 61% | 0.609 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -67.7 | -34 | 178.8 | -159.1 | 170.1 | -173.6 | 175.3 | 0 | 113.2 | I57 F58 K59 K65 | I57-K61 WeakPolarHBondContact O-CB 3.47Å; I57-K61 PolarHBondContact O-N 3.45Å; F58-K61 PolarHBondContact O-N 3.29Å; K59-K61 VanDerWaalsContact C-N 3.31Å; K59-K61 PolarHBondContact O-N 3.18Å; K61-K65 WeakPolarHBondContact O-CB 3.47Å; K61-K65 PolarHBondContact O-N 2.81Å |
| 62 | C | 43.9 | Very low | 47.1 | Very low | 29 Ų | 29 | 85.3 Ų | 85.3 | 20% | 0.196 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -72.9 | -41.4 | 176.5 | -77.9 | 0 | 0 | 0 | 0 | 112.7 | F58 K59 L60 K65 G66 R67 | F58-C62 WeakPolarHBondContact CE1-SG 3.26Å; F58-C62 WeakPolarHBondContact O-CB 3.49Å; F58-C62 PolarHBondContact O-N 3.02Å; F58-C62 PolarHBondContact O-SG 3.5Å; K59-C62 PolarHBondContact O-N 2.95Å; L60-C62 PolarHBondContact O-N 3.32Å; C62-K65 PolarHBondContact O-N 2.91Å; C62-G66 PolarHBondContact O-N 3.09Å; C62-G66 VanDerWaalsContact O-N 3.13Å; C62-R67 PolarHBondContact O-N 2.96Å |
| 63 | I | 46.7 | Very low | 46.5 | Very low | 100 Ų | 100 | 85.4 Ų | 85.4 | 51% | 0.513 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.8 | -48 | 175.2 | -67 | 165.4 | 0 | 0 | 0 | 109.8 | K59 K65 G66 | K59-I63 HydrophobicContact CD-CD1 4.35Å; K59-I63 HydrophobicContact CG-CD1 4.02Å; K59-I63 VanDerWaalsContact O-CG1 3.26Å; K59-I63 WeakPolarHBondContact O-CG1 3.38Å; K59-I63 PolarHBondContact O-N 3.47Å; I63-K65 PolarHBondContact O-N 3.4Å; I63-G66 PolarHBondContact O-N 2.78Å |
| 64 | F | 45.4 | Very low | 45.8 | Very low | 174 Ų | 174 | 85.8 Ų | 85.8 | 76% | 0.763 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.8 | -25.5 | 177.1 | -100 | -89.4 | 0 | 0 | 0 | 114 | L60 | L60-F64 WeakPolarHBondContact O-CB 3.39Å; L60-F64 WeakPolarHBondContact O-CD2 3.35Å; L60-F64 PolarHBondContact O-N 3.4Å |
| 65 | K | 49.5 | Very low | 45 | Very low | 135 Ų | 135 | 86.2 Ų | 86.2 | 59% | 0.587 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 4 | -175.8 | -146.9 | 167.5 | -170.4 | 173.3 | 0 | 113.6 | K61 C62 I63 R67 | K61-K65 WeakPolarHBondContact O-CB 3.47Å; K61-K65 PolarHBondContact O-N 2.81Å; C62-K65 PolarHBondContact O-N 2.91Å; I63-K65 PolarHBondContact O-N 3.4Å; K65-R67 WeakPolarHBondContact O-CG 3.44Å; K65-R67 PolarHBondContact O-N 3.22Å; K65-R67 VanDerWaalsContact O-N 3.09Å |
| 66 | G | 40.7 | Very low | 44 | Very low | 64 Ų | 64 | 94 Ų | 94 | 66% | 0.66 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 20 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | C62 I63 | C62-G66 PolarHBondContact O-N 3.09Å; C62-G66 VanDerWaalsContact O-N 3.13Å; I63-G66 PolarHBondContact O-N 2.78Å |
| 67 | R | 43.1 | Very low | 43.1 | Very low | 174 Ų | 174 | 95.4 Ų | 95.4 | 66% | 0.657 | 50% | 0.501 | S | S | * | . | trans | -103.3 | 105.9 | -175.3 | -70.7 | -166 | -163.7 | -175.9 | 1.4 | 111.1 | C62 K65 G69 | C62-R67 PolarHBondContact O-N 2.96Å; K65-R67 WeakPolarHBondContact O-CG 3.44Å; K65-R67 PolarHBondContact O-N 3.22Å; K65-R67 VanDerWaalsContact O-N 3.09Å; R67-G69 PolarHBondContact O-N 2.87Å | ||
| 68 | H | 45.8 | Very low | 42.3 | Very low | 151 Ų | 151 | 96.8 Ų | 96.8 | 70% | 0.699 | 52% | 0.519 | S | S | * | . | trans | -77.1 | 105.5 | 162.5 | -69.5 | -89.6 | 0 | 0 | 0 | 108.9 | ||||
| 69 | G | 39.1 | Very low | 41.5 | Very low | 37 Ų | 37 | 104.6 Ų | 104.6 | 38% | 0.381 | 55% | 0.547 | S | S | . | . | trans | -156.4 | 136.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R67 | R67-G69 PolarHBondContact O-N 2.87Š| ||
| 70 | S | 42.4 | Very low | 40.8 | Very low | 78 Ų | 78 | 106.4 Ų | 106.4 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | trans | -79.6 | 124.6 | 168.5 | 50 | 0 | 0 | 0 | 0 | 109.4 | F86 | S70-F86 WeakPolarHBondContact CA-O 3.22Š| ||
| 71 | M | 40.9 | Very low | 40.1 | Very low | 111 Ų | 111 | 108.9 Ų | 108.9 | 55% | 0.547 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.3 | 119.9 | 175.3 | -170.9 | 86.3 | 177.8 | 0 | 0 | 108.3 | F58 F86 | F58-M71 HydrophobicContact CE1-CB 4.4Å; F58-M71 HydrophobicContact CZ-CB 3.98Å; F58-M71 HydrophobicContact CZ-CG 4.36Å; M71-F86 PolarHBondContact N-O 3.28Å |
| 72 | P | 39.1 | Very low | 39.6 | Very low | 84 Ų | 84 | 105.2 Ų | 105.2 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71 | 130.8 | 169.2 | 29.3 | -31.3 | 0 | 0 | 0 | 109.4 | ||
| 73 | I | 39.4 | Very low | 39 | Very low | 34 Ų | 34 | 110 Ų | 110 | 17% | 0.174 | 57% | 0.572 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.5 | 110.6 | 173.9 | -64.6 | 173.7 | 0 | 0 | 0 | 107.2 | M75 L84 F86 | I73-M75 HydrophobicContact CG2-CE 4.13Å; I73-M75 HydrophobicContact CG2-CG 4Å; I73-M75 HydrophobicContact CG2-SD 4.48Å; I73-L84 CarbonylContact C-O 3.59Å; I73-L84 PolarHBondContact N-O 3.23Å; I73-L84 PolarHBondContact O-N 3.13Å; I73-F86 HydrophobicContact CB-CD2 4.26Å; I73-F86 HydrophobicContact CB-CE2 4.17Å; I73-F86 HydrophobicContact CD1-CD2 3.76Å; I73-F86 HydrophobicContact CD1-CE2 3.75Å; I73-F86 HydrophobicContact CG1-CD2 4.14Å; I73-F86 HydrophobicContact CG1-CE2 4.33Å |
| 74 | A | 36.4 | Very low | 38.6 | Very low | 75 Ų | 75 | 105.3 Ų | 105.3 | 62% | 0.62 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 75 | M | 36.1 | Very low | 38.2 | Very low | 70 Ų | 70 | 99.9 Ų | 99.9 | 35% | 0.345 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.1 | 174.2 | -80.8 | 179.8 | 171 | 0 | 0 | 109.5 | T54 I73 Y82 | T54-M75 HydrophobicContact CG2-CE 3.98Å; I73-M75 HydrophobicContact CG2-CE 4.13Å; I73-M75 HydrophobicContact CG2-CG 4Å; I73-M75 HydrophobicContact CG2-SD 4.48Å; M75-Y82 CarbonylContact C-O 3.56Å; M75-Y82 PolarHBondContact N-O 3.35Å; M75-Y82 PolarHBondContact O-N 3.42Å |
| 76 | K | 30 | Very low | 37.8 | Very low | 182 Ų | 182 | 93.9 Ų | 93.9 | 79% | 0.791 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 111.8 | 174.6 | -168.5 | 169.2 | -172.9 | -178.8 | 0 | 108.6 | ||
| 77 | S | 34.9 | Very low | 37.5 | Very low | 60 Ų | 60 | 94.8 Ų | 94.8 | 42% | 0.42 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 149.9 | 169.6 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | R79 H80 | S77-R79 PolarHBondContact O-N 3.24Å; S77-H80 PolarHBondContact N-O 3.43Å; S77-H80 VanDerWaalsContact N-O 3.07Å; S77-H80 PolarHBondContact O-N 2.92Å; S77-H80 VanDerWaalsContact O-O 3.06Å |
| 78 | S | 37.1 | Very low | 37.4 | Very low | 128 Ų | 128 | 88.4 Ų | 88.4 | 90% | 0.895 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -10 | -170.7 | -172 | 0 | 0 | 0 | 0 | 115.6 | ||
| 79 | R | 35.9 | Very low | 36.9 | Very low | 222 Ų | 222 | 88.3 Ų | 88.3 | 84% | 0.838 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.6 | -9.4 | 173.8 | -67.4 | -173 | -170.8 | 178 | 2.1 | 115.8 | S77 | S77-R79 PolarHBondContact O-N 3.24Š|
| 80 | H | 34.9 | Very low | 36.6 | Very low | 115 Ų | 115 | 91.8 Ų | 91.8 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 135.7 | -175.6 | -66.3 | -72.6 | 0 | 0 | 0 | 111.9 | S77 Y82 | S77-H80 PolarHBondContact N-O 3.43Å; S77-H80 VanDerWaalsContact N-O 3.07Å; S77-H80 PolarHBondContact O-N 2.92Å; S77-H80 VanDerWaalsContact O-O 3.06Å; H80-Y82 HydrophobicContact CB-CD2 4.24Å; H80-Y82 HydrophobicContact CB-CE1 4.19Å; H80-Y82 HydrophobicContact CB-CE2 3.57Å |
| 81 | N | 33.6 | Very low | 36.1 | Very low | 124 Ų | 124 | 94 Ų | 94 | 66% | 0.663 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 113.6 | 168.3 | -72.8 | -31.8 | 0 | 0 | 0 | 108.6 | ||
| 82 | Y | 35.8 | Very low | 35.7 | Very low | 63 Ų | 63 | 91 Ų | 91 | 25% | 0.247 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 120.3 | 172 | -58.6 | -79.9 | 0 | 0 | 0 | 108.8 | M75 H80 | M75-Y82 CarbonylContact C-O 3.56Å; M75-Y82 PolarHBondContact N-O 3.35Å; M75-Y82 PolarHBondContact O-N 3.42Å; H80-Y82 HydrophobicContact CB-CD2 4.24Å; H80-Y82 HydrophobicContact CB-CE1 4.19Å; H80-Y82 HydrophobicContact CB-CE2 3.57Å |
| 83 | Q | 32.1 | Very low | 35.4 | Very low | 128 Ų | 128 | 89.9 Ų | 89.9 | 60% | 0.598 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.2 | 160.4 | -87.8 | -141.3 | -10.7 | 0 | 0 | 108.5 | ||
| 84 | L | 38.5 | Very low | 35.2 | Very low | 3 Ų | 3 | 92.3 Ų | 92.3 | 2% | 0.016 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 115.2 | 168.5 | -85.8 | 90 | 0 | 0 | 0 | 108.9 | I51 I73 F86 I95 | I51-L84 HydrophobicContact CG2-CD2 3.48Å; I51-L84 VanDerWaalsContact CG2-CD2 3.48Å; I73-L84 CarbonylContact C-O 3.59Å; I73-L84 PolarHBondContact N-O 3.23Å; I73-L84 PolarHBondContact O-N 3.13Å; L84-F86 HydrophobicContact CB-CD2 4.25Å; L84-F86 HydrophobicContact CB-CE2 3.69Å; L84-F86 HydrophobicContact CB-CZ 4.25Å; L84-F86 HydrophobicContact CD2-CE1 4.33Å; L84-F86 HydrophobicContact CD2-CE2 3.78Å; L84-F86 HydrophobicContact CD2-CZ 3.47Å; L84-F86 VanDerWaalsContact CD2-CZ 3.47Å; L84-F86 HydrophobicContact CG-CE2 4.4Å; L84-I95 HydrophobicContact CD2-CG2 3.89Å |
| 85 | T | 37.5 | Very low | 35.3 | Very low | 59 Ų | 59 | 90.6 Ų | 90.6 | 36% | 0.362 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 109.1 | 170.2 | -54 | 0 | 0 | 0 | 0 | 108.4 | F94 | T85-F94 VanDerWaalsContact O-O 3.06Å |
| 86 | F | 40.7 | Very low | 35.3 | Very low | 9 Ų | 9 | 90.4 Ų | 90.4 | 4% | 0.039 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 110.2 | 172.7 | -67.9 | -85.2 | 0 | 0 | 0 | 109.4 | A55 S70 M71 I73 L84 F88 V93 I95 | A55-F86 HydrophobicContact CB-CE1 3.68Å; A55-F86 HydrophobicContact CB-CZ 3.83Å; S70-F86 WeakPolarHBondContact CA-O 3.22Å; M71-F86 PolarHBondContact N-O 3.28Å; I73-F86 HydrophobicContact CB-CD2 4.26Å; I73-F86 HydrophobicContact CB-CE2 4.17Å; I73-F86 HydrophobicContact CD1-CD2 3.76Å; I73-F86 HydrophobicContact CD1-CE2 3.75Å; I73-F86 HydrophobicContact CG1-CD2 4.14Å; I73-F86 HydrophobicContact CG1-CE2 4.33Å; L84-F86 HydrophobicContact CB-CD2 4.25Å; L84-F86 HydrophobicContact CB-CE2 3.69Å; L84-F86 HydrophobicContact CB-CZ 4.25Å; L84-F86 HydrophobicContact CD2-CE1 4.33Å; L84-F86 HydrophobicContact CD2-CE2 3.78Å; L84-F86 HydrophobicContact CD2-CZ 3.47Å; L84-F86 VanDerWaalsContact CD2-CZ 3.47Å; L84-F86 HydrophobicContact CG-CE2 4.4Å; F86-F88 HydrophobicContact CB-CD2 4.19Å; F86-F88 HydrophobicContact CB-CE2 3.61Å; F86-F88 HydrophobicContact CB-CZ 4.2Å; F86-F88 HydrophobicContact CD1-CZ 4.4Å; F86-F88 HydrophobicContact CG-CE2 4.37Å; F86-V93 HydrophobicContact CD1-CG1 4.26Å; F86-I95 HydrophobicContact CE1-CG1 4.26Å |
| 87 | L | 34.8 | Very low | 35.8 | Very low | 83 Ų | 83 | 85 Ų | 85 | 44% | 0.435 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 101.9 | 175.5 | -145.5 | 141.7 | 0 | 0 | 0 | 108 | K89 C92 F94 | L87-K89 PolarHBondContact O-N 3.2Å; L87-C92 VanDerWaalsContact O-O 3.09Å; L87-F94 HydrophobicContact CB-CB 4.09Å; L87-F94 HydrophobicContact CB-CD2 4.29Å |
| 88 | F | 40.3 | Very low | 35.7 | Very low | 40 Ų | 40 | 85.7 Ų | 85.7 | 18% | 0.175 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 95.9 | 176.6 | -68 | -79 | 0 | 0 | 0 | 109 | F58 K59 F86 V93 | F58-F88 AromaticContact CD1-CE2 3.88Å; F58-F88 HydrophobicContact CD1-CE2 3.88Å; F58-F88 HydrophobicContact CD1-CZ 4.11Å; F58-F88 AromaticContact CE1-CE2 3.92Å; F58-F88 HydrophobicContact CE1-CE2 3.92Å; K59-F88 HydrophobicContact CG-CE1 4.2Å; F86-F88 HydrophobicContact CB-CD2 4.19Å; F86-F88 HydrophobicContact CB-CE2 3.61Å; F86-F88 HydrophobicContact CB-CZ 4.2Å; F86-F88 HydrophobicContact CD1-CZ 4.4Å; F86-F88 HydrophobicContact CG-CE2 4.37Å; F88-V93 HydrophobicContact CD1-CG2 4.22Å; F88-V93 HydrophobicContact CE1-CG2 3.93Å |
| 89 | K | 34.7 | Very low | 35.8 | Very low | 150 Ų | 150 | 84 Ų | 84 | 65% | 0.652 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 149.3 | 161.2 | -153.1 | 167.2 | -176.4 | 177.3 | 0 | 106.8 | L87 N91 C92 | L87-K89 PolarHBondContact O-N 3.2Å; K89-N91 PolarHBondContact O-N 3.37Å; K89-C92 HydrophobicContact CB-CB 4.4Å; K89-C92 PolarHBondContact N-O 2.82Å; K89-C92 PolarHBondContact O-N 3.43Å |
| 90 | V | 33.2 | Very low | 35.9 | Very low | 109 Ų | 109 | 75.7 Ų | 75.7 | 66% | 0.661 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.3 | 115 | 175.5 | -172.9 | 0 | 0 | 0 | 0 | 107.6 | ||
| 91 | N | 31.9 | Very low | 35.9 | Very low | 125 Ų | 125 | 77.6 Ų | 77.6 | 67% | 0.668 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 6.6 | -173.7 | -66.9 | -25.3 | 0 | 0 | 0 | 121.1 | K89 | K89-N91 PolarHBondContact O-N 3.37Š|
| 92 | C | 33 | Very low | 36.1 | Very low | 47 Ų | 47 | 80.9 Ų | 80.9 | 32% | 0.318 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.2 | 178.1 | -63.2 | 0 | 0 | 0 | 0 | 113.1 | L87 K89 F94 | L87-C92 VanDerWaalsContact O-O 3.09Å; K89-C92 HydrophobicContact CB-CB 4.4Å; K89-C92 PolarHBondContact N-O 2.82Å; K89-C92 PolarHBondContact O-N 3.43Å; C92-F94 HydrophobicContact CB-CD2 4.08Å; C92-F94 HydrophobicContact CB-CE2 3.67Å |
| 93 | V | 33.6 | Very low | 35.9 | Very low | 61 Ų | 61 | 80.5 Ų | 80.5 | 37% | 0.37 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 106.9 | 165.4 | -178.3 | 0 | 0 | 0 | 0 | 107.6 | F86 F88 I95 | F86-V93 HydrophobicContact CD1-CG1 4.26Å; F88-V93 HydrophobicContact CD1-CG2 4.22Å; F88-V93 HydrophobicContact CE1-CG2 3.93Å; V93-I95 HydrophobicContact CG1-CD1 4.5Å; V93-I95 HydrophobicContact CG1-CG1 4.02Å |
| 94 | F | 35.1 | Very low | 36.1 | Very low | 86 Ų | 86 | 80.4 Ų | 80.4 | 38% | 0.377 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 125 | 170.6 | -74.3 | -89 | 0 | 0 | 0 | 109.5 | T85 L87 C92 L109 | T85-F94 VanDerWaalsContact O-O 3.06Å; L87-F94 HydrophobicContact CB-CB 4.09Å; L87-F94 HydrophobicContact CB-CD2 4.29Å; C92-F94 HydrophobicContact CB-CD2 4.08Å; C92-F94 HydrophobicContact CB-CE2 3.67Å; F94-L109 HydrophobicContact CE1-CD1 4.5Å |
| 95 | I | 38.3 | Very low | 35.9 | Very low | 38 Ų | 38 | 83.7 Ų | 83.7 | 20% | 0.195 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 103.4 | 172.3 | -51 | 176.5 | 0 | 0 | 0 | 106.7 | L84 F86 V93 L97 L105 | L84-I95 HydrophobicContact CD2-CG2 3.89Å; F86-I95 HydrophobicContact CE1-CG1 4.26Å; V93-I95 HydrophobicContact CG1-CD1 4.5Å; V93-I95 HydrophobicContact CG1-CG1 4.02Å; I95-L97 HydrophobicContact CG2-CD1 3.52Å; I95-L97 HydrophobicContact CG2-CG 4.48Å; I95-L105 WeakPolarHBondContact O-CD2 3.5Å |
| 96 | S | 36.1 | Very low | 35.7 | Very low | 66 Ų | 66 | 86.8 Ų | 86.8 | 46% | 0.462 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 116 | 172.8 | -147.3 | 0 | 0 | 0 | 0 | 108.8 | ||
| 97 | L | 39.5 | Very low | 35.3 | Very low | 70 Ų | 70 | 96.3 Ų | 96.3 | 37% | 0.366 | 53% | 0.533 | S | S | . | . | trans | -104.6 | 132.2 | 172.9 | -76.2 | 98.3 | 0 | 0 | 0 | 110.1 | I95 G99 | I95-L97 HydrophobicContact CG2-CD1 3.52Å; I95-L97 HydrophobicContact CG2-CG 4.48Å; L97-G99 PolarHBondContact O-N 2.94Å | ||
| 98 | P | 33.5 | Very low | 35.3 | Very low | 73 Ų | 73 | 96.2 Ų | 96.2 | 47% | 0.474 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 121.4 | 169.7 | 30 | -29.1 | 0 | 0 | 0 | 108.9 | ||
| 99 | G | 39.3 | Very low | 35.1 | Very low | 92 Ų | 92 | 99 Ų | 99 | 95% | 0.948 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | 11.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | L97 | L97-G99 PolarHBondContact O-N 2.94Š|
| 100 | G | 37.8 | Very low | 34.9 | Very low | 49 Ų | 49 | 96.6 Ų | 96.6 | 51% | 0.505 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -111.7 | 137.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K102 | G100-K102 PolarHBondContact O-N 3.45Š|
| 101 | N | 35.7 | Very low | 35 | Very low | 154 Ų | 154 | 97.8 Ų | 97.8 | 82% | 0.824 | 55% | 0.553 | S | S | * | * | trans | -24.6 | 115.4 | 175.4 | -104.9 | -15.8 | 0 | 0 | 0 | 113.7 | G103 F104 | N101-G103 PolarHBondContact O-N 3.38Å; N101-F104 PolarHBondContact O-N 3.09Å; N101-F104 VanDerWaalsContact O-N 3.09Å | ||
| 102 | K | 36.3 | Very low | 35.2 | Very low | 194 Ų | 194 | 94.6 Ų | 94.6 | 84% | 0.843 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -11.1 | 178.3 | -64.2 | -178.6 | -180 | -178.8 | 0 | 114.2 | G100 | G100-K102 PolarHBondContact O-N 3.45Š|
| 103 | G | 33.1 | Very low | 34.9 | Very low | 54 Ų | 54 | 100.1 Ų | 100.1 | 56% | 0.557 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -13.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | N101 L105 | N101-G103 PolarHBondContact O-N 3.38Å; G103-L105 VanDerWaalsContact C-N 3.34Å |
| 104 | F | 36.3 | Very low | 34.8 | Very low | 127 Ų | 127 | 101 Ų | 101 | 56% | 0.557 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -82 | -17.3 | 178.5 | -142.2 | -94.1 | 0 | 0 | 0 | 113 | T40 M44 N101 | T40-F104 HydrophobicContact CG2-CE1 4.34Å; T40-F104 HydrophobicContact CG2-CZ 4.38Å; M44-F104 HydrophobicContact CE-CE1 4.11Å; M44-F104 HydrophobicContact CE-CZ 4.32Å; M44-F104 HydrophobicContact SD-CZ 4.49Å; N101-F104 PolarHBondContact O-N 3.09Å; N101-F104 VanDerWaalsContact O-N 3.09Å |
| 105 | L | 34 | Very low | 34.5 | Very low | 72 Ų | 72 | 102.4 Ų | 102.4 | 38% | 0.377 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -81.1 | -14.3 | -174.2 | -111.5 | 145.5 | 0 | 0 | 0 | 114.4 | I95 G103 | I95-L105 WeakPolarHBondContact O-CD2 3.5Å; G103-L105 VanDerWaalsContact C-N 3.34Å |
| 106 | L | 33.3 | Very low | 34 | Very low | 124 Ų | 124 | 107 Ų | 107 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -104.1 | -14.9 | -173.3 | -94.8 | 124.7 | 0 | 0 | 0 | 115.3 | ||
| 107 | R | 32.7 | Very low | 33.6 | Very low | 208 Ų | 208 | 110.5 Ų | 110.5 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -13.1 | -173.6 | -78.9 | -171.2 | -179.7 | -170.6 | 0.4 | 115.5 | ||
| 108 | L | 34.8 | Very low | 33.2 | Very low | 82 Ų | 82 | 119.8 Ų | 119.8 | 43% | 0.429 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | -13.3 | 173.9 | -80.7 | 158.4 | 0 | 0 | 0 | 113.1 | V36 | V36-L108 HydrophobicContact CG1-CD2 3.89Š|
| 109 | L | 34.6 | Very low | 33.2 | Very low | 98 Ų | 98 | 122.1 Ų | 122.1 | 51% | 0.513 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -78.3 | -22.6 | 177.5 | -91.2 | 131.7 | 0 | 0 | 0 | 113.8 | F94 | F94-L109 HydrophobicContact CE1-CD1 4.5Š|
| 110 | S | 30.4 | Very low | 32.8 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 70% | 0.699 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -91.3 | -9.5 | -179.2 | -84.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 111 | L | 36.2 | Very low | 32.6 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 70% | 0.702 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -111.2 | -1 | -174.6 | -87.4 | 134.7 | 0 | 0 | 0 | 113.9 | ||
| 112 | A | 34.6 | Very low | 32.4 | Very low | 57 Ų | 57 | 126.3 Ų | 126.3 | 47% | 0.471 | 67% | 0.667 | S | S | . | * | trans | -108.1 | 18.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P114 | A112-P114 WeakPolarHBondContact O-CD 3.21Š| ||
| 113 | Q | 28.6 | Very low | 32.1 | Very low | 163 Ų | 163 | 122.1 Ų | 122.1 | 76% | 0.762 | 66% | 0.656 | S | S | * | * | trans | -70 | 115.1 | 167.7 | -68.9 | -170.2 | -62.5 | 0 | 0 | 108.1 | ||||
| 114 | P | 31.2 | Very low | 32.1 | Very low | 81 Ų | 81 | 126.6 Ų | 126.6 | 53% | 0.526 | 66% | 0.662 | S | S | . | * | trans | -61.7 | 148.3 | 165.7 | 28.6 | -32.2 | 0 | 0 | 0 | 108 | A112 V116 | A112-P114 WeakPolarHBondContact O-CD 3.21Å; P114-V116 PolarHBondContact O-N 2.98Å | ||
| 115 | P | 28.7 | Very low | 31.8 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 75% | 0.747 | 67% | 0.67 | S | S | * | * | trans | -56.7 | 116.3 | 164.6 | 25.5 | -30.9 | 0 | 0 | 0 | 106.8 | N117 | P115-N117 VanDerWaalsContact C-N 3.3Å; P115-N117 PolarHBondContact O-N 2.95Å | ||
| 116 | V | 27.5 | Very low | 31.6 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | trans | -65 | 99.5 | 167.7 | -169.9 | 0 | 0 | 0 | 0 | 104.9 | P114 | P114-V116 PolarHBondContact O-N 2.98Š| ||
| 117 | N | 26.8 | Very low | 31.5 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | trans | -90.4 | 105.7 | 169.7 | -111.7 | -5.9 | 0 | 0 | 0 | 106.9 | P115 | P115-N117 VanDerWaalsContact C-N 3.3Å; P115-N117 PolarHBondContact O-N 2.95Å | ||
| 118 | F | 31.2 | Very low | 31.3 | Very low | 264 Ų | 264 | 124.4 Ų | 124.4 | 100% | 1.158 | 69% | 0.688 | S | S | * | * | trans | 64.7 | 0 | 176 | -71.7 | -85.3 | 0 | 0 | 0 | 118.5 |
Retrieved 118 of 118 residues in 23.9 ms
(Link to these results)