| 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 | 33.3 | Very low | 49 | Very low | 231 Ų | 231 | 103.6 Ų | 103.6 | 100% | 1.138 | 56% | 0.563 | S | S | * | * | 0 | 107.7 | 0 | -103.1 | 161.8 | 175.8 | 0 | 0 | 105.9 | I3 | M1-I3 PolarHBondContact O-N 3.49Š| |||
| 2 | E | 36.3 | Very low | 50.1 | Low | 196 Ų | 196 | 95.9 Ų | 95.9 | 92% | 0.916 | 52% | 0.521 | S | S | * | . | trans | -72.4 | 108.9 | -179.2 | -57.2 | 178.5 | 167 | 0 | 0 | 107.3 | P4 | E2-P4 WeakPolarHBondContact O-CD 3.21Š| ||
| 3 | I | 43.2 | Very low | 50.7 | Low | 77 Ų | 77 | 96.8 Ų | 96.8 | 40% | 0.395 | 52% | 0.524 | S | S | . | . | trans | -77.2 | 118.4 | -179.5 | -50 | -179.7 | 0 | 0 | 0 | 106 | M1 A5 E112 | M1-I3 PolarHBondContact O-N 3.49Å; I3-A5 PolarHBondContact O-N 3.32Å; I3-E112 WeakPolarHBondContact CD1-OE1 3.28Å | ||
| 4 | P | 45.3 | Very low | 51.1 | Low | 105 Ų | 105 | 93.1 Ų | 93.1 | 68% | 0.682 | 51% | 0.514 | S | S | * | . | trans | -61.4 | 129.4 | -172.8 | 25 | -33.2 | 0 | 0 | 0 | 109.2 | E2 I6 | E2-P4 WeakPolarHBondContact O-CD 3.21Å; P4-I6 PolarHBondContact O-N 3.04Å | ||
| 5 | A | 48.7 | Very low | 51.9 | Low | 75 Ų | 75 | 89.3 Ų | 89.3 | 62% | 0.62 | 49% | 0.491 | S | S | * | . | trans | -57.1 | 96.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I3 N7 | I3-A5 PolarHBondContact O-N 3.32Å; A5-N7 PolarHBondContact O-N 3.43Å; A5-N7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | I | 55.1 | Low | 52.6 | Low | 91 Ų | 91 | 91.4 Ų | 91.4 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | trans | -69.8 | 111.8 | 174 | -72.2 | 164.8 | 0 | 0 | 0 | 107.1 | P4 L8 I11 | P4-I6 PolarHBondContact O-N 3.04Å; I6-L8 PolarHBondContact O-N 3.37Å; I6-I11 HydrophobicContact CG2-CD1 4.49Å; I6-I11 HydrophobicContact CG2-CG1 4.44Å | ||
| 7 | N | 58.5 | Low | 52.8 | Low | 97 Ų | 97 | 90.1 Ų | 90.1 | 52% | 0.519 | 48% | 0.482 | S | S | . | . | trans | -63.8 | 126.8 | -174.5 | -80.5 | -80.5 | 0 | 0 | 0 | 110.8 | A5 K9 A10 | A5-N7 PolarHBondContact O-N 3.43Å; A5-N7 VanDerWaalsContact O-N 3.11Å; N7-K9 HydrophobicContact CB-CB 4.46Å; N7-K9 PolarHBondContact O-N 2.97Å; N7-A10 WeakPolarHBondContact O-CB 3.37Å; N7-A10 PolarHBondContact O-N 2.84Å | ||
| 8 | L | 56.8 | Low | 53 | Low | 56 Ų | 56 | 87.3 Ų | 87.3 | 29% | 0.293 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -45.8 | -32.8 | 173.6 | -145.1 | 95.9 | 0 | 0 | 0 | 112.9 | I6 A10 I11 V12 I45 | I6-L8 PolarHBondContact O-N 3.37Å; L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 3.32Å; L8-I11 PolarHBondContact O-N 3.04Å; L8-V12 PolarHBondContact O-N 2.95Å; L8-V12 VanDerWaalsContact O-N 3.14Å; L8-I45 HydrophobicContact CD2-CG1 4.04Å |
| 9 | K | 50.5 | Low | 53.4 | Low | 117 Ų | 117 | 83.5 Ų | 83.5 | 51% | 0.509 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -55.7 | -40.8 | 173.8 | -74 | 176.4 | 159.6 | 177.4 | 0 | 113.7 | N7 L13 I45 R48 | N7-K9 HydrophobicContact CB-CB 4.46Å; N7-K9 PolarHBondContact O-N 2.97Å; K9-L13 WeakPolarHBondContact O-CB 3.38Å; K9-L13 WeakPolarHBondContact O-CG 3.14Å; K9-L13 PolarHBondContact O-N 2.84Å; K9-I45 HydrophobicContact CG-CG2 4.36Å; K9-R48 VanDerWaalsContact CE-NH2 3.29Å |
| 10 | A | 51.6 | Low | 53.7 | Low | 53 Ų | 53 | 81.4 Ų | 81.4 | 44% | 0.438 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.1 | -37 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N7 L8 L13 A14 | N7-A10 WeakPolarHBondContact O-CB 3.37Å; N7-A10 PolarHBondContact O-N 2.84Å; L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 3.32Å; A10-L13 PolarHBondContact O-N 2.76Å; A10-A14 WeakPolarHBondContact O-CB 3.42Å; A10-A14 PolarHBondContact O-N 2.7Å |
| 11 | I | 59.2 | Low | 53.5 | Low | 42 Ų | 42 | 83 Ų | 83 | 22% | 0.215 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -67.1 | -44.8 | 178.6 | -60.3 | 172.3 | 0 | 0 | 0 | 110.4 | I6 L8 A14 H15 | I6-I11 HydrophobicContact CG2-CD1 4.49Å; I6-I11 HydrophobicContact CG2-CG1 4.44Å; L8-I11 PolarHBondContact O-N 3.04Å; I11-A14 PolarHBondContact O-N 3.22Å; I11-H15 PolarHBondContact O-N 2.84Å; I11-H15 PolarHBondContact O-ND1 3.31Å |
| 12 | V | 62.4 | Low | 54.6 | Low | 11 Ų | 11 | 72.6 Ų | 72.6 | 7% | 0.067 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 177.6 | 175 | 0 | 0 | 0 | 0 | 111.5 | L8 A14 H15 W16 L38 I45 F57 | L8-V12 PolarHBondContact O-N 2.95Å; L8-V12 VanDerWaalsContact O-N 3.14Å; V12-A14 PolarHBondContact O-N 3.39Å; V12-H15 PolarHBondContact O-N 2.96Å; V12-W16 WeakPolarHBondContact O-CB 3.34Å; V12-W16 PolarHBondContact O-N 2.97Å; V12-L38 HydrophobicContact CG1-CD2 4.44Å; V12-I45 HydrophobicContact CB-CD1 3.64Å; V12-I45 HydrophobicContact CG1-CD1 3.74Å; V12-I45 HydrophobicContact CG2-CD1 3.56Å; V12-I45 HydrophobicContact CG2-CG1 4.12Å; V12-F57 HydrophobicContact CG2-CE1 4.32Å; V12-F57 HydrophobicContact CG2-CZ 3.97Å |
| 13 | L | 57.8 | Low | 55.6 | Low | 107 Ų | 107 | 65 Ų | 65 | 56% | 0.56 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61 | -43.2 | 174.1 | -88.4 | 167.1 | 0 | 0 | 0 | 112.1 | K9 A10 W16 L17 | K9-L13 WeakPolarHBondContact O-CB 3.38Å; K9-L13 WeakPolarHBondContact O-CG 3.14Å; K9-L13 PolarHBondContact O-N 2.84Å; A10-L13 PolarHBondContact O-N 2.76Å; L13-W16 PolarHBondContact O-N 3.42Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 PolarHBondContact O-N 3.31Å |
| 14 | A | 56.9 | Low | 56.2 | Low | 46 Ų | 46 | 68.7 Ų | 68.7 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A10 I11 V12 W16 L17 L18 | A10-A14 WeakPolarHBondContact O-CB 3.42Å; A10-A14 PolarHBondContact O-N 2.7Å; I11-A14 PolarHBondContact O-N 3.22Å; V12-A14 PolarHBondContact O-N 3.39Å; A14-W16 VanDerWaalsContact C-N 3.32Å; A14-W16 PolarHBondContact O-N 2.85Å; A14-L17 PolarHBondContact O-N 2.9Å; A14-L18 HydrophobicContact CB-CD1 4.48Å; A14-L18 WeakPolarHBondContact O-CB 3.39Å; A14-L18 VanDerWaalsContact O-CD1 3.23Å; A14-L18 WeakPolarHBondContact O-CD1 3.48Å; A14-L18 PolarHBondContact O-N 3.12Å |
| 15 | H | 63.1 | Low | 56.3 | Low | 35 Ų | 35 | 66.3 Ų | 66.3 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 178.9 | -79.2 | 77.5 | 0 | 0 | 0 | 113 | I11 V12 T19 L38 L61 | I11-H15 PolarHBondContact O-N 2.84Å; I11-H15 PolarHBondContact O-ND1 3.31Å; V12-H15 PolarHBondContact O-N 2.96Å; H15-T19 WeakPolarHBondContact O-CB 3.31Å; H15-T19 PolarHBondContact O-N 3.44Å; H15-T19 PolarHBondContact O-OG1 2.92Å; H15-L38 HydrophobicContact CB-CD2 4.24Å; H15-L61 WeakPolarHBondContact CD2-CD2 3.28Å; H15-L61 WeakPolarHBondContact NE2-CD2 3.09Å |
| 16 | W | 62.5 | Low | 56.4 | Low | 123 Ų | 123 | 66.7 Ų | 66.7 | 47% | 0.466 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 174.3 | 175.6 | 81.5 | 0 | 0 | 0 | 111 | V12 L13 A14 L18 T19 V20 L38 | V12-W16 WeakPolarHBondContact O-CB 3.34Å; V12-W16 PolarHBondContact O-N 2.97Å; L13-W16 PolarHBondContact O-N 3.42Å; A14-W16 VanDerWaalsContact C-N 3.32Å; A14-W16 PolarHBondContact O-N 2.85Å; W16-L18 PolarHBondContact O-N 2.81Å; W16-T19 PolarHBondContact O-N 2.93Å; W16-V20 HydrophobicContact CD2-CG2 4.23Å; W16-V20 HydrophobicContact CZ2-CG2 4.12Å; W16-V20 VanDerWaalsContact O-CG2 3.27Å; W16-V20 WeakPolarHBondContact O-CG2 3.43Å; W16-V20 PolarHBondContact O-N 3.36Å; W16-L38 HydrophobicContact CB-CD1 4.31Å; W16-L38 HydrophobicContact CB-CD2 3.87Å |
| 17 | L | 55.7 | Low | 56.4 | Low | 69 Ų | 69 | 68.4 Ų | 68.4 | 36% | 0.361 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | -177.1 | -150 | 137.3 | 0 | 0 | 0 | 111.8 | L13 A14 V20 W21 | L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 PolarHBondContact O-N 3.31Å; A14-L17 PolarHBondContact O-N 2.9Å; L17-V20 PolarHBondContact O-N 3.37Å; L17-W21 HydrophobicContact CD2-CD2 3.84Å; L17-W21 HydrophobicContact CD2-CE3 3.8Å; L17-W21 HydrophobicContact CD2-CH2 3.27Å; L17-W21 HydrophobicContact CD2-CZ2 3.27Å; L17-W21 HydrophobicContact CD2-CZ3 3.53Å; L17-W21 HydrophobicContact CG-CZ2 4.43Å; L17-W21 PolarHBondContact O-N 2.86Å; L17-W21 VanDerWaalsContact O-N 3.07Å |
| 18 | L | 57.8 | Low | 56.3 | Low | 41 Ų | 41 | 68.2 Ų | 68.2 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 173.8 | -82.4 | 141.8 | 0 | 0 | 0 | 112.6 | A14 W16 W21 G22 M91 | A14-L18 HydrophobicContact CB-CD1 4.48Å; A14-L18 WeakPolarHBondContact O-CB 3.39Å; A14-L18 VanDerWaalsContact O-CD1 3.23Å; A14-L18 WeakPolarHBondContact O-CD1 3.48Å; A14-L18 PolarHBondContact O-N 3.12Å; W16-L18 PolarHBondContact O-N 2.81Å; L18-W21 PolarHBondContact O-N 3.31Å; L18-G22 PolarHBondContact O-N 2.89Å; L18-M91 HydrophobicContact CD2-CE 4.31Å |
| 19 | T | 60.9 | Low | 56.2 | Low | 15 Ų | 15 | 69.7 Ų | 69.7 | 9% | 0.092 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 175.1 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | H15 W16 W21 G22 S23 N34 L38 | H15-T19 WeakPolarHBondContact O-CB 3.31Å; H15-T19 PolarHBondContact O-N 3.44Å; H15-T19 PolarHBondContact O-OG1 2.92Å; W16-T19 PolarHBondContact O-N 2.93Å; T19-W21 VanDerWaalsContact C-N 3.32Å; T19-W21 PolarHBondContact O-N 3.12Å; T19-G22 PolarHBondContact O-N 3.17Å; T19-S23 WeakPolarHBondContact O-CB 3.46Å; T19-S23 PolarHBondContact O-N 2.93Å; T19-S23 PolarHBondContact O-OG 3.26Å; T19-N34 HydrophobicContact CG2-CB 3.45Å; T19-N34 VanDerWaalsContact CG2-CB 3.45Å; T19-L38 HydrophobicContact CG2-CD1 3.91Å |
| 20 | V | 59 | Low | 56.6 | Low | 40 Ų | 40 | 66 Ų | 66 | 24% | 0.242 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 177.3 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | W16 L17 S23 | W16-V20 HydrophobicContact CD2-CG2 4.23Å; W16-V20 HydrophobicContact CZ2-CG2 4.12Å; W16-V20 VanDerWaalsContact O-CG2 3.27Å; W16-V20 WeakPolarHBondContact O-CG2 3.43Å; W16-V20 PolarHBondContact O-N 3.36Å; L17-V20 PolarHBondContact O-N 3.37Å; V20-S23 PolarHBondContact O-N 2.83Å; V20-S23 PolarHBondContact O-OG 2.93Å |
| 21 | W | 49.8 | Very low | 57 | Low | 116 Ų | 116 | 64.4 Ų | 64.4 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.8 | -36.8 | 178.4 | -67.8 | -13.7 | 0 | 0 | 0 | 113.8 | L17 L18 T19 S23 M24 M91 | L17-W21 HydrophobicContact CD2-CD2 3.84Å; L17-W21 HydrophobicContact CD2-CE3 3.8Å; L17-W21 HydrophobicContact CD2-CH2 3.27Å; L17-W21 HydrophobicContact CD2-CZ2 3.27Å; L17-W21 HydrophobicContact CD2-CZ3 3.53Å; L17-W21 HydrophobicContact CG-CZ2 4.43Å; L17-W21 PolarHBondContact O-N 2.86Å; L17-W21 VanDerWaalsContact O-N 3.07Å; L18-W21 PolarHBondContact O-N 3.31Å; T19-W21 VanDerWaalsContact C-N 3.32Å; T19-W21 PolarHBondContact O-N 3.12Å; W21-S23 VanDerWaalsContact C-N 3.34Å; W21-M24 PolarHBondContact O-N 3.49Å; W21-M91 HydrophobicContact CE3-CE 3.81Å; W21-M91 HydrophobicContact CZ3-CE 3.67Å |
| 22 | G | 55.8 | Low | 56.8 | Low | 12 Ų | 12 | 71.8 Ų | 71.8 | 12% | 0.124 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67 | -34.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L18 T19 M24 | L18-G22 PolarHBondContact O-N 2.89Å; T19-G22 PolarHBondContact O-N 3.17Å; G22-M24 PolarHBondContact O-N 3.43Å |
| 23 | S | 58.1 | Low | 56.6 | Low | 38 Ų | 38 | 73.2 Ų | 73.2 | 27% | 0.266 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -12 | 179.4 | 72.8 | 0 | 0 | 0 | 0 | 114.5 | T19 V20 W21 G25 | T19-S23 WeakPolarHBondContact O-CB 3.46Å; T19-S23 PolarHBondContact O-N 2.93Å; T19-S23 PolarHBondContact O-OG 3.26Å; V20-S23 PolarHBondContact O-N 2.83Å; V20-S23 PolarHBondContact O-OG 2.93Å; W21-S23 VanDerWaalsContact C-N 3.34Å; S23-G25 VanDerWaalsContact C-N 3.28Å; S23-G25 PolarHBondContact O-N 3.15Å |
| 24 | M | 54 | Low | 56.8 | Low | 153 Ų | 153 | 68.8 Ų | 68.8 | 75% | 0.754 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -18.1 | 176.8 | -76.4 | -165.7 | 159.9 | 0 | 0 | 114.1 | W21 G22 | W21-M24 PolarHBondContact O-N 3.49Å; G22-M24 PolarHBondContact O-N 3.43Å |
| 25 | G | 49.3 | Very low | 57.3 | Low | 56 Ų | 56 | 71 Ų | 71 | 58% | 0.577 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | -9.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | S23 | S23-G25 VanDerWaalsContact C-N 3.28Å; S23-G25 PolarHBondContact O-N 3.15Å |
| 26 | L | 49.9 | Very low | 57.4 | Low | 83 Ų | 83 | 72.4 Ų | 72.4 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -117.9 | 149.8 | -173 | -76.3 | 167.8 | 0 | 0 | 0 | 113 | Y30 | L26-Y30 HydrophobicContact CB-CD1 4.47Å; L26-Y30 HydrophobicContact CB-CG 4.41Å |
| 27 | L | 54.5 | Low | 57.6 | Low | 127 Ų | 127 | 67.8 Ų | 67.8 | 67% | 0.665 | 38% | 0.375 | S | S | * | . | trans | -50.3 | 147.9 | -171.7 | -151.9 | 71.5 | 0 | 0 | 0 | 113.8 | S29 Y30 | L27-S29 PolarHBondContact O-N 3.4Å; L27-Y30 WeakPolarHBondContact O-CB 3.5Å; L27-Y30 PolarHBondContact O-N 3.29Å | ||
| 28 | S | 57.2 | Low | 58 | Low | 92 Ų | 92 | 65.1 Ų | 65.1 | 64% | 0.643 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -48.7 | -26.9 | -173.5 | -173.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 29 | S | 55.2 | Low | 58.5 | Low | 88 Ų | 88 | 66.2 Ų | 66.2 | 62% | 0.615 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -69.7 | -31.7 | 174.9 | -83.4 | 0 | 0 | 0 | 0 | 114.2 | L27 W32 S33 | L27-S29 PolarHBondContact O-N 3.4Å; S29-W32 PolarHBondContact O-N 3.06Å; S29-S33 PolarHBondContact O-N 3.44Å |
| 30 | Y | 57.9 | Low | 58.7 | Low | 38 Ų | 38 | 68 Ų | 68 | 15% | 0.149 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.4 | -37.4 | 178.9 | -174.1 | -89.8 | 0 | 0 | 0 | 111.6 | L26 L27 S33 N34 D68 | L26-Y30 HydrophobicContact CB-CD1 4.47Å; L26-Y30 HydrophobicContact CB-CG 4.41Å; L27-Y30 WeakPolarHBondContact O-CB 3.5Å; L27-Y30 PolarHBondContact O-N 3.29Å; Y30-S33 PolarHBondContact O-OG 2.92Å; Y30-N34 WeakPolarHBondContact CD1-ND2 3.47Å; Y30-N34 VanDerWaalsContact CE1-ND2 3.29Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.08Å; Y30-N34 WeakPolarHBondContact O-CB 3.3Å; Y30-N34 PolarHBondContact O-N 3.48Å; Y30-N34 PolarHBondContact O-ND2 3.31Å; Y30-D68 HydrophobicContact CE2-CB 4.21Å; Y30-D68 WeakPolarHBondContact CE2-OD1 3.29Å; Y30-D68 PolarHBondContact OH-OD2 3.37Å |
| 31 | A | 60.2 | Low | 58.8 | Low | 21 Ų | 21 | 66 Ų | 66 | 17% | 0.174 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S33 N34 F35 | A31-S33 PolarHBondContact O-N 3.31Å; A31-N34 PolarHBondContact O-N 3.32Å; A31-F35 HydrophobicContact CB-CD2 4.32Å; A31-F35 HydrophobicContact CB-CE2 4.45Å; A31-F35 WeakPolarHBondContact O-CB 3.46Å; A31-F35 WeakPolarHBondContact O-CD2 3.25Å; A31-F35 PolarHBondContact O-N 2.9Å |
| 32 | W | 56 | Low | 59.7 | Low | 196 Ų | 196 | 64.9 Ų | 64.9 | 74% | 0.742 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | -176.8 | -102.7 | 76.6 | 0 | 0 | 0 | 113.7 | S29 S36 | S29-W32 PolarHBondContact O-N 3.06Å; W32-S36 WeakPolarHBondContact O-CB 3.41Å; W32-S36 PolarHBondContact O-N 3.39Å; W32-S36 PolarHBondContact O-OG 3.29Å |
| 33 | S | 57.7 | Low | 60.3 | Low | 41 Ų | 41 | 71.2 Ų | 71.2 | 29% | 0.287 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 178.3 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | S29 Y30 A31 S36 V37 | S29-S33 PolarHBondContact O-N 3.44Å; Y30-S33 PolarHBondContact O-OG 2.92Å; A31-S33 PolarHBondContact O-N 3.31Å; S33-S36 WeakPolarHBondContact O-CB 3.32Å; S33-S36 PolarHBondContact O-N 3.03Å; S33-V37 PolarHBondContact O-N 3.05Å |
| 34 | N | 61.4 | Low | 60.3 | Low | 14 Ų | 14 | 69.4 Ų | 69.4 | 8% | 0.075 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -72.7 | -35.9 | -177.6 | -75.9 | -80.5 | 0 | 0 | 0 | 112.8 | T19 Y30 A31 S36 V37 L38 | T19-N34 HydrophobicContact CG2-CB 3.45Å; T19-N34 VanDerWaalsContact CG2-CB 3.45Å; Y30-N34 WeakPolarHBondContact CD1-ND2 3.47Å; Y30-N34 VanDerWaalsContact CE1-ND2 3.29Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.08Å; Y30-N34 WeakPolarHBondContact O-CB 3.3Å; Y30-N34 PolarHBondContact O-N 3.48Å; Y30-N34 PolarHBondContact O-ND2 3.31Å; A31-N34 PolarHBondContact O-N 3.32Å; N34-S36 VanDerWaalsContact C-N 3.32Å; N34-V37 PolarHBondContact O-N 2.99Å; N34-L38 WeakPolarHBondContact O-CG 3.19Å; N34-L38 PolarHBondContact O-N 2.98Å; N34-L38 VanDerWaalsContact O-N 3.16Å |
| 35 | F | 66.9 | Low | 60.7 | Low | 93 Ų | 93 | 63.9 Ų | 63.9 | 41% | 0.408 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.5 | -32.5 | 171.7 | -83.9 | -68.3 | 0 | 0 | 0 | 112.7 | A31 L38 A39 | A31-F35 HydrophobicContact CB-CD2 4.32Å; A31-F35 HydrophobicContact CB-CE2 4.45Å; A31-F35 WeakPolarHBondContact O-CB 3.46Å; A31-F35 WeakPolarHBondContact O-CD2 3.25Å; A31-F35 PolarHBondContact O-N 2.9Å; F35-L38 HydrophobicContact CD1-CD1 4.2Å; F35-L38 PolarHBondContact O-N 2.75Å; F35-A39 PolarHBondContact O-N 3.43Å |
| 36 | S | 65.9 | Low | 61.3 | Low | 64 Ų | 64 | 65 Ų | 65 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.6 | -58 | 0 | 0 | 0 | 0 | 111.9 | W32 S33 N34 A39 V40 | W32-S36 WeakPolarHBondContact O-CB 3.41Å; W32-S36 PolarHBondContact O-N 3.39Å; W32-S36 PolarHBondContact O-OG 3.29Å; S33-S36 WeakPolarHBondContact O-CB 3.32Å; S33-S36 PolarHBondContact O-N 3.03Å; N34-S36 VanDerWaalsContact C-N 3.32Å; S36-A39 WeakPolarHBondContact O-CB 3.25Å; S36-A39 PolarHBondContact O-N 2.91Å; S36-V40 PolarHBondContact O-N 3.45Å |
| 37 | V | 65.4 | Low | 61.5 | Low | 26 Ų | 26 | 66.1 Ų | 66.1 | 16% | 0.158 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.4 | -34 | 175.7 | 170.7 | 0 | 0 | 0 | 0 | 111.9 | S33 N34 A39 V40 G41 F57 L61 T64 | S33-V37 PolarHBondContact O-N 3.05Å; N34-V37 PolarHBondContact O-N 2.99Å; V37-A39 VanDerWaalsContact C-N 3.33Å; V37-A39 PolarHBondContact O-N 3.43Å; V37-V40 PolarHBondContact O-N 3.23Å; V37-G41 PolarHBondContact O-N 2.99Å; V37-F57 HydrophobicContact CG1-CE2 4.35Å; V37-L61 HydrophobicContact CG1-CD2 4.34Å; V37-L61 HydrophobicContact CG1-CG 4.45Å; V37-T64 HydrophobicContact CB-CG2 4.36Å; V37-T64 HydrophobicContact CG2-CG2 3.64Å |
| 38 | L | 65.6 | Low | 61.4 | Low | 13 Ų | 13 | 65.8 Ų | 65.8 | 7% | 0.068 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 172.2 | -77.4 | 165.4 | 0 | 0 | 0 | 112.5 | V12 H15 W16 T19 N34 F35 V40 G41 V42 | V12-L38 HydrophobicContact CG1-CD2 4.44Å; H15-L38 HydrophobicContact CB-CD2 4.24Å; W16-L38 HydrophobicContact CB-CD1 4.31Å; W16-L38 HydrophobicContact CB-CD2 3.87Å; T19-L38 HydrophobicContact CG2-CD1 3.91Å; N34-L38 WeakPolarHBondContact O-CG 3.19Å; N34-L38 PolarHBondContact O-N 2.98Å; N34-L38 VanDerWaalsContact O-N 3.16Å; F35-L38 HydrophobicContact CD1-CD1 4.2Å; F35-L38 PolarHBondContact O-N 2.75Å; L38-V40 VanDerWaalsContact C-N 3.33Å; L38-V40 PolarHBondContact O-N 3.35Å; L38-G41 CarbonylContact O-C 3.59Å; L38-G41 WeakPolarHBondContact O-CA 3.12Å; L38-G41 PolarHBondContact O-N 3.46Å; L38-G41 VanDerWaalsContact O-N 3.12Å; L38-V42 WeakPolarHBondContact O-CG2 3.32Å; L38-V42 PolarHBondContact O-N 3.5Å |
| 39 | A | 67.3 | Low | 61.2 | Low | 64 Ų | 64 | 69 Ų | 69 | 53% | 0.529 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F35 S36 V37 G41 V42 W43 | F35-A39 PolarHBondContact O-N 3.43Å; S36-A39 WeakPolarHBondContact O-CB 3.25Å; S36-A39 PolarHBondContact O-N 2.91Å; V37-A39 VanDerWaalsContact C-N 3.33Å; V37-A39 PolarHBondContact O-N 3.43Å; A39-G41 VanDerWaalsContact C-N 3.32Å; A39-G41 PolarHBondContact O-N 3.44Å; A39-V42 PolarHBondContact O-N 2.98Å; A39-W43 PolarHBondContact O-N 2.93Å |
| 40 | V | 65.5 | Low | 61.2 | Low | 52 Ų | 52 | 66.8 Ų | 66.8 | 32% | 0.315 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.8 | -35.4 | 173.2 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | S36 V37 L38 W43 A44 | S36-V40 PolarHBondContact O-N 3.45Å; V37-V40 PolarHBondContact O-N 3.23Å; L38-V40 VanDerWaalsContact C-N 3.33Å; L38-V40 PolarHBondContact O-N 3.35Å; V40-W43 WeakPolarHBondContact O-CB 3.38Å; V40-W43 PolarHBondContact O-N 3.14Å; V40-A44 PolarHBondContact O-N 3.44Å |
| 41 | G | 61.7 | Low | 61.1 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V37 L38 A39 W43 A44 I45 | V37-G41 PolarHBondContact O-N 2.99Å; L38-G41 CarbonylContact O-C 3.59Å; L38-G41 WeakPolarHBondContact O-CA 3.12Å; L38-G41 PolarHBondContact O-N 3.46Å; L38-G41 VanDerWaalsContact O-N 3.12Å; A39-G41 VanDerWaalsContact C-N 3.32Å; A39-G41 PolarHBondContact O-N 3.44Å; G41-W43 VanDerWaalsContact C-N 3.33Å; G41-A44 PolarHBondContact O-N 3.34Å; G41-I45 WeakPolarHBondContact O-CG1 3.45Å; G41-I45 PolarHBondContact O-N 2.66Å |
| 42 | V | 68.2 | Low | 60.7 | Low | 91 Ų | 91 | 75.5 Ų | 75.5 | 55% | 0.552 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.3 | -37.9 | 173.6 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | L38 A39 I45 A46 | L38-V42 WeakPolarHBondContact O-CG2 3.32Å; L38-V42 PolarHBondContact O-N 3.5Å; A39-V42 PolarHBondContact O-N 2.98Å; V42-I45 WeakPolarHBondContact O-CB 3.48Å; V42-I45 PolarHBondContact O-N 2.68Å; V42-A46 PolarHBondContact O-N 3.24Å; V42-A46 VanDerWaalsContact O-N 3.11Å |
| 43 | W | 68.2 | Low | 60.7 | Low | 145 Ų | 145 | 66.7 Ų | 66.7 | 55% | 0.549 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 173.8 | -175.5 | 16.2 | 0 | 0 | 0 | 112.3 | A39 V40 G41 I45 A46 Q47 | A39-W43 PolarHBondContact O-N 2.93Å; V40-W43 WeakPolarHBondContact O-CB 3.38Å; V40-W43 PolarHBondContact O-N 3.14Å; G41-W43 VanDerWaalsContact C-N 3.33Å; W43-I45 VanDerWaalsContact C-N 3.25Å; W43-I45 PolarHBondContact O-N 3.1Å; W43-A46 WeakPolarHBondContact O-CB 3.31Å; W43-A46 PolarHBondContact O-N 2.98Å; W43-Q47 PolarHBondContact O-N 2.94Å |
| 44 | A | 58.5 | Low | 60.7 | Low | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.008 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.3 | -28.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V40 G41 Q47 A53 F57 | V40-A44 PolarHBondContact O-N 3.44Å; G41-A44 PolarHBondContact O-N 3.34Å; A44-Q47 CarbonylContact O-C 3.58Å; A44-A53 HydrophobicContact CB-CB 4.49Å; A44-F57 HydrophobicContact CB-CB 4.2Å |
| 45 | I | 62.3 | Low | 60.4 | Low | 37 Ų | 37 | 70.8 Ų | 70.8 | 19% | 0.19 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.4 | -35.6 | 171.5 | -70.6 | 165 | 0 | 0 | 0 | 111.8 | L8 K9 V12 G41 V42 W43 R48 | L8-I45 HydrophobicContact CD2-CG1 4.04Å; K9-I45 HydrophobicContact CG-CG2 4.36Å; V12-I45 HydrophobicContact CB-CD1 3.64Å; V12-I45 HydrophobicContact CG1-CD1 3.74Å; V12-I45 HydrophobicContact CG2-CD1 3.56Å; V12-I45 HydrophobicContact CG2-CG1 4.12Å; G41-I45 WeakPolarHBondContact O-CG1 3.45Å; G41-I45 PolarHBondContact O-N 2.66Å; V42-I45 WeakPolarHBondContact O-CB 3.48Å; V42-I45 PolarHBondContact O-N 2.68Å; W43-I45 VanDerWaalsContact C-N 3.25Å; W43-I45 PolarHBondContact O-N 3.1Å; I45-R48 VanDerWaalsContact O-CG 3.25Å; I45-R48 WeakPolarHBondContact O-CG 3.47Å; I45-R48 PolarHBondContact O-NE 3.32Å; I45-R48 VanDerWaalsContact O-NE 3.13Å |
| 46 | A | 62.5 | Low | 59.9 | Low | 79 Ų | 79 | 71.7 Ų | 71.7 | 65% | 0.653 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -73.5 | -33.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V42 W43 | V42-A46 PolarHBondContact O-N 3.24Å; V42-A46 VanDerWaalsContact O-N 3.11Å; W43-A46 WeakPolarHBondContact O-CB 3.31Å; W43-A46 PolarHBondContact O-N 2.98Å |
| 47 | Q | 53.6 | Low | 59.6 | Low | 106 Ų | 106 | 69.4 Ų | 69.4 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | trans | -123.9 | 79.3 | 177.7 | -78.7 | 175.5 | -26.6 | 0 | 0 | 111.4 | W43 A44 D49 | W43-Q47 PolarHBondContact O-N 2.94Å; A44-Q47 CarbonylContact O-C 3.58Å; Q47-D49 VanDerWaalsContact C-N 3.3Å; Q47-D49 PolarHBondContact O-N 3.19Å | ||
| 48 | R | 52.9 | Low | 59.2 | Low | 120 Ų | 120 | 72 Ų | 72 | 45% | 0.453 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -16.4 | -176.2 | -55.5 | -172.1 | -173.3 | 177.8 | -0.7 | 114.5 | K9 I45 S50 | K9-R48 VanDerWaalsContact CE-NH2 3.29Å; I45-R48 VanDerWaalsContact O-CG 3.25Å; I45-R48 WeakPolarHBondContact O-CG 3.47Å; I45-R48 PolarHBondContact O-NE 3.32Å; I45-R48 VanDerWaalsContact O-NE 3.13Å; R48-S50 VanDerWaalsContact C-N 3.29Å |
| 49 | D | 51.9 | Low | 58.6 | Low | 160 Ų | 160 | 76.7 Ų | 76.7 | 86% | 0.856 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -10.7 | -179.1 | -60.8 | -41.9 | 0 | 0 | 0 | 112.3 | Q47 | Q47-D49 VanDerWaalsContact C-N 3.3Å; Q47-D49 PolarHBondContact O-N 3.19Å |
| 50 | S | 55.7 | Low | 58.1 | Low | 41 Ų | 41 | 74.5 Ų | 74.5 | 29% | 0.287 | 39% | 0.394 | S | S | . | . | trans | -92.8 | 107.7 | 178.4 | 137.2 | 0 | 0 | 0 | 0 | 110.5 | R48 D52 A53 V54 | R48-S50 VanDerWaalsContact C-N 3.29Å; S50-D52 PolarHBondContact O-N 3.29Å; S50-A53 PolarHBondContact O-N 3.3Å; S50-A53 WeakPolarHBondContact OG-CB 3.47Å; S50-A53 PolarHBondContact OG-N 2.88Å; S50-V54 PolarHBondContact O-N 3.32Å | ||
| 51 | I | 56.3 | Low | 57.8 | Low | 130 Ų | 130 | 73.4 Ų | 73.4 | 67% | 0.667 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -57.2 | -34.1 | 171.7 | -74.5 | 96.1 | 0 | 0 | 0 | 111.3 | V54 L55 | I51-V54 PolarHBondContact O-N 3.16Å; I51-L55 HydrophobicContact CG2-CD1 3.78Å; I51-L55 HydrophobicContact CG2-CG 4.24Å; I51-L55 WeakPolarHBondContact O-CG 3.46Å; I51-L55 PolarHBondContact O-N 3.47Å |
| 52 | D | 52 | Low | 57.3 | Low | 113 Ų | 113 | 75.5 Ų | 75.5 | 60% | 0.604 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.3 | -44.8 | -177 | -157.5 | 19.2 | 0 | 0 | 0 | 112 | S50 V54 L55 M56 | S50-D52 PolarHBondContact O-N 3.29Å; D52-V54 VanDerWaalsContact C-N 3.28Å; D52-V54 PolarHBondContact O-N 3.3Å; D52-L55 PolarHBondContact O-N 3.12Å; D52-L55 VanDerWaalsContact O-N 3.15Å; D52-M56 WeakPolarHBondContact O-CG 3.4Å; D52-M56 PolarHBondContact O-N 3.04Å |
| 53 | A | 55.1 | Low | 56.5 | Low | 11 Ų | 11 | 75 Ų | 75 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.5 | -35.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A44 S50 F57 | A44-A53 HydrophobicContact CB-CB 4.49Å; S50-A53 PolarHBondContact O-N 3.3Å; S50-A53 WeakPolarHBondContact OG-CB 3.47Å; S50-A53 PolarHBondContact OG-N 2.88Å; A53-F57 WeakPolarHBondContact O-CB 3.38Å; A53-F57 PolarHBondContact O-N 3.47Å |
| 54 | V | 58.2 | Low | 55.9 | Low | 51 Ų | 51 | 68.6 Ų | 68.6 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.7 | -40.2 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | S50 I51 D52 F57 L58 | S50-V54 PolarHBondContact O-N 3.32Å; I51-V54 PolarHBondContact O-N 3.16Å; D52-V54 VanDerWaalsContact C-N 3.28Å; D52-V54 PolarHBondContact O-N 3.3Å; V54-F57 PolarHBondContact O-N 3.49Å; V54-L58 WeakPolarHBondContact O-CB 3.48Å; V54-L58 PolarHBondContact O-N 3.3Å |
| 55 | L | 54.1 | Low | 55.6 | Low | 89 Ų | 89 | 70.6 Ų | 70.6 | 47% | 0.466 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 175 | -73.3 | 171.9 | 0 | 0 | 0 | 112.3 | I51 D52 F57 L58 M59 | I51-L55 HydrophobicContact CG2-CD1 3.78Å; I51-L55 HydrophobicContact CG2-CG 4.24Å; I51-L55 WeakPolarHBondContact O-CG 3.46Å; I51-L55 PolarHBondContact O-N 3.47Å; D52-L55 PolarHBondContact O-N 3.12Å; D52-L55 VanDerWaalsContact O-N 3.15Å; L55-F57 VanDerWaalsContact C-N 3.33Å; L55-F57 PolarHBondContact O-N 2.92Å; L55-L58 WeakPolarHBondContact O-CB 3.31Å; L55-L58 PolarHBondContact O-N 3.04Å; L55-M59 WeakPolarHBondContact O-CB 3.48Å; L55-M59 WeakPolarHBondContact O-CG 3.43Å; L55-M59 PolarHBondContact O-N 3.49Å |
| 56 | M | 56.3 | Low | 55 | Low | 112 Ų | 112 | 74.3 Ų | 74.3 | 55% | 0.552 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.5 | -37.9 | 174.5 | -70.7 | -159.9 | 102.3 | 0 | 0 | 111.8 | D52 G60 | D52-M56 WeakPolarHBondContact O-CG 3.4Å; D52-M56 PolarHBondContact O-N 3.04Å; M56-G60 PolarHBondContact O-N 3.11Å |
| 57 | F | 61.1 | Low | 54.4 | Low | 16 Ų | 16 | 72.8 Ų | 72.8 | 7% | 0.07 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 172.8 | -179.2 | -115.7 | 0 | 0 | 0 | 112.1 | V12 V37 A44 A53 V54 L55 G60 L61 | V12-F57 HydrophobicContact CG2-CE1 4.32Å; V12-F57 HydrophobicContact CG2-CZ 3.97Å; V37-F57 HydrophobicContact CG1-CE2 4.35Å; A44-F57 HydrophobicContact CB-CB 4.2Å; A53-F57 WeakPolarHBondContact O-CB 3.38Å; A53-F57 PolarHBondContact O-N 3.47Å; V54-F57 PolarHBondContact O-N 3.49Å; L55-F57 VanDerWaalsContact C-N 3.33Å; L55-F57 PolarHBondContact O-N 2.92Å; F57-G60 PolarHBondContact O-N 3.45Å; F57-L61 HydrophobicContact CD1-CD1 4.09Å; F57-L61 HydrophobicContact CE1-CD1 3.59Å; F57-L61 HydrophobicContact CE1-CG 4.49Å; F57-L61 HydrophobicContact CE2-CD1 4.24Å; F57-L61 HydrophobicContact CE2-CG 4.31Å; F57-L61 HydrophobicContact CZ-CD1 3.67Å; F57-L61 HydrophobicContact CZ-CG 4.21Å; F57-L61 WeakPolarHBondContact O-CG 3.46Å; F57-L61 PolarHBondContact O-N 2.88Å |
| 58 | L | 57.3 | Low | 54.3 | Low | 81 Ų | 81 | 68.9 Ų | 68.9 | 42% | 0.424 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.9 | -169.5 | 99.6 | 0 | 0 | 0 | 111.8 | V54 L55 L61 A62 V106 | V54-L58 WeakPolarHBondContact O-CB 3.48Å; V54-L58 PolarHBondContact O-N 3.3Å; L55-L58 WeakPolarHBondContact O-CB 3.31Å; L55-L58 PolarHBondContact O-N 3.04Å; L58-L61 PolarHBondContact O-N 3.48Å; L58-A62 PolarHBondContact O-N 3.36Å; L58-V106 HydrophobicContact CD1-CG1 4.48Å |
| 59 | M | 51.4 | Low | 54.2 | Low | 111 Ų | 111 | 67.5 Ų | 67.5 | 55% | 0.547 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 176.3 | -74 | -68.6 | -72.3 | 0 | 0 | 111.3 | L55 L61 A62 V63 | L55-M59 WeakPolarHBondContact O-CB 3.48Å; L55-M59 WeakPolarHBondContact O-CG 3.43Å; L55-M59 PolarHBondContact O-N 3.49Å; M59-L61 VanDerWaalsContact C-N 3.31Å; M59-L61 PolarHBondContact O-N 3.05Å; M59-A62 PolarHBondContact O-N 3.25Å; M59-A62 VanDerWaalsContact O-N 3.17Å; M59-V63 VanDerWaalsContact O-CG2 3.31Å; M59-V63 WeakPolarHBondContact O-CG2 3.3Å; M59-V63 PolarHBondContact O-N 3.13Å |
| 60 | G | 56.5 | Low | 54.1 | Low | 19 Ų | 19 | 63.7 Ų | 63.7 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M56 F57 T64 | M56-G60 PolarHBondContact O-N 3.11Å; F57-G60 PolarHBondContact O-N 3.45Å; G60-T64 PolarHBondContact O-N 3.36Å; G60-T64 PolarHBondContact O-OG1 2.87Å |
| 61 | L | 61 | Low | 53.9 | Low | 29 Ų | 29 | 65.3 Ų | 65.3 | 15% | 0.152 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 172.2 | -78.7 | 171.5 | 0 | 0 | 0 | 112.5 | H15 V37 F57 L58 M59 V63 T64 I65 | H15-L61 WeakPolarHBondContact CD2-CD2 3.28Å; H15-L61 WeakPolarHBondContact NE2-CD2 3.09Å; V37-L61 HydrophobicContact CG1-CD2 4.34Å; V37-L61 HydrophobicContact CG1-CG 4.45Å; F57-L61 HydrophobicContact CD1-CD1 4.09Å; F57-L61 HydrophobicContact CE1-CD1 3.59Å; F57-L61 HydrophobicContact CE1-CG 4.49Å; F57-L61 HydrophobicContact CE2-CD1 4.24Å; F57-L61 HydrophobicContact CE2-CG 4.31Å; F57-L61 HydrophobicContact CZ-CD1 3.67Å; F57-L61 HydrophobicContact CZ-CG 4.21Å; F57-L61 WeakPolarHBondContact O-CG 3.46Å; F57-L61 PolarHBondContact O-N 2.88Å; L58-L61 PolarHBondContact O-N 3.48Å; M59-L61 VanDerWaalsContact C-N 3.31Å; M59-L61 PolarHBondContact O-N 3.05Å; L61-V63 PolarHBondContact O-N 3.49Å; L61-T64 VanDerWaalsContact CA-OG1 3.31Å; L61-T64 WeakPolarHBondContact CA-OG1 3.23Å; L61-T64 PolarHBondContact O-N 3.1Å; L61-T64 PolarHBondContact O-OG1 3.23Å; L61-T64 VanDerWaalsContact O-OG1 3.1Å; L61-I65 VanDerWaalsContact O-CD1 3.27Å; L61-I65 WeakPolarHBondContact O-CD1 3.13Å; L61-I65 WeakPolarHBondContact O-CG1 3.27Å; L61-I65 PolarHBondContact O-N 3.46Å |
| 62 | A | 50.7 | Low | 53.7 | Low | 44 Ų | 44 | 63.7 Ų | 63.7 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L58 M59 I65 L66 | L58-A62 PolarHBondContact O-N 3.36Å; M59-A62 PolarHBondContact O-N 3.25Å; M59-A62 VanDerWaalsContact O-N 3.17Å; A62-I65 WeakPolarHBondContact O-CB 3.38Å; A62-I65 PolarHBondContact O-N 3.24Å; A62-L66 PolarHBondContact O-N 2.84Å; A62-L66 VanDerWaalsContact O-N 3.14Å |
| 63 | V | 50.4 | Low | 53.5 | Low | 81 Ų | 81 | 61.2 Ų | 61.2 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -71.1 | -39.3 | 178.7 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | M59 L61 I65 L66 T67 | M59-V63 VanDerWaalsContact O-CG2 3.31Å; M59-V63 WeakPolarHBondContact O-CG2 3.3Å; M59-V63 PolarHBondContact O-N 3.13Å; L61-V63 PolarHBondContact O-N 3.49Å; V63-I65 VanDerWaalsContact C-N 3.34Å; V63-L66 PolarHBondContact O-N 3.37Å; V63-T67 WeakPolarHBondContact O-CB 3.49Å; V63-T67 PolarHBondContact O-N 3.47Å; V63-T67 PolarHBondContact O-OG1 2.93Å |
| 64 | T | 55.2 | Low | 53 | Low | 9 Ų | 9 | 66.7 Ų | 66.7 | 6% | 0.055 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 173.9 | 30.9 | 0 | 0 | 0 | 0 | 111.4 | V37 G60 L61 L66 T67 D68 | V37-T64 HydrophobicContact CB-CG2 4.36Å; V37-T64 HydrophobicContact CG2-CG2 3.64Å; G60-T64 PolarHBondContact O-N 3.36Å; G60-T64 PolarHBondContact O-OG1 2.87Å; L61-T64 VanDerWaalsContact CA-OG1 3.31Å; L61-T64 WeakPolarHBondContact CA-OG1 3.23Å; L61-T64 PolarHBondContact O-N 3.1Å; L61-T64 PolarHBondContact O-OG1 3.23Å; L61-T64 VanDerWaalsContact O-OG1 3.1Å; T64-L66 PolarHBondContact O-N 3.32Å; T64-T67 PolarHBondContact O-N 2.89Å; T64-D68 WeakPolarHBondContact O-CB 3.36Å; T64-D68 PolarHBondContact O-N 3.25Å |
| 65 | I | 53.8 | Low | 52.7 | Low | 44 Ų | 44 | 71 Ų | 71 | 23% | 0.226 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.4 | -50.1 | 171.9 | -70 | 160.7 | 0 | 0 | 0 | 112 | L61 A62 V63 T67 D68 I69 K99 | L61-I65 VanDerWaalsContact O-CD1 3.27Å; L61-I65 WeakPolarHBondContact O-CD1 3.13Å; L61-I65 WeakPolarHBondContact O-CG1 3.27Å; L61-I65 PolarHBondContact O-N 3.46Å; A62-I65 WeakPolarHBondContact O-CB 3.38Å; A62-I65 PolarHBondContact O-N 3.24Å; V63-I65 VanDerWaalsContact C-N 3.34Å; I65-T67 VanDerWaalsContact C-N 3.32Å; I65-T67 PolarHBondContact O-N 3.4Å; I65-D68 PolarHBondContact O-N 3.47Å; I65-I69 HydrophobicContact CG2-CD1 3.82Å; I65-I69 WeakPolarHBondContact O-CD1 3.48Å; I65-I69 VanDerWaalsContact O-CG1 3.23Å; I65-I69 WeakPolarHBondContact O-CG1 3.36Å; I65-I69 PolarHBondContact O-N 3.05Å; I65-K99 HydrophobicContact CD1-CB 4.35Å; I65-K99 HydrophobicContact CD1-CD 3.51Å; I65-K99 HydrophobicContact CD1-CG 4.08Å; I65-K99 HydrophobicContact CG1-CD 3.57Å; I65-K99 VanDerWaalsContact CG1-CE 3.48Å |
| 66 | L | 50.1 | Low | 52.3 | Low | 114 Ų | 114 | 74 Ų | 74 | 60% | 0.597 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 178.2 | -87.1 | 161 | 0 | 0 | 0 | 111.8 | A62 V63 T64 I69 V70 | A62-L66 PolarHBondContact O-N 2.84Å; A62-L66 VanDerWaalsContact O-N 3.14Å; V63-L66 PolarHBondContact O-N 3.37Å; T64-L66 PolarHBondContact O-N 3.32Å; L66-I69 PolarHBondContact O-N 3.03Å; L66-V70 WeakPolarHBondContact O-CG2 3.36Å; L66-V70 PolarHBondContact O-N 2.86Å; L66-V70 VanDerWaalsContact O-N 3.1Å |
| 67 | T | 48.6 | Very low | 51.8 | Low | 47 Ų | 47 | 73.3 Ų | 73.3 | 29% | 0.288 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67 | -39.8 | -179.6 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | V63 T64 I65 V70 H71 | V63-T67 WeakPolarHBondContact O-CB 3.49Å; V63-T67 PolarHBondContact O-N 3.47Å; V63-T67 PolarHBondContact O-OG1 2.93Å; T64-T67 PolarHBondContact O-N 2.89Å; I65-T67 VanDerWaalsContact C-N 3.32Å; I65-T67 PolarHBondContact O-N 3.4Å; T67-V70 PolarHBondContact O-N 3.17Å; T67-H71 PolarHBondContact O-N 3.39Å; T67-H71 PolarHBondContact O-ND1 3.11Å |
| 68 | D | 50.8 | Low | 51.3 | Low | 25 Ų | 25 | 77.7 Ų | 77.7 | 13% | 0.134 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 177.8 | -65.2 | -8.2 | 0 | 0 | 0 | 111.4 | Y30 T64 I65 V70 H71 F72 | Y30-D68 HydrophobicContact CE2-CB 4.21Å; Y30-D68 WeakPolarHBondContact CE2-OD1 3.29Å; Y30-D68 PolarHBondContact OH-OD2 3.37Å; T64-D68 WeakPolarHBondContact O-CB 3.36Å; T64-D68 PolarHBondContact O-N 3.25Å; I65-D68 PolarHBondContact O-N 3.47Å; D68-V70 VanDerWaalsContact C-N 3.35Å; D68-V70 PolarHBondContact O-N 2.82Å; D68-H71 PolarHBondContact O-N 2.82Å; D68-F72 VanDerWaalsContact O-CB 3.29Å; D68-F72 WeakPolarHBondContact O-CB 3.43Å; D68-F72 PolarHBondContact O-N 2.78Å |
| 69 | I | 52 | Low | 50.9 | Low | 90 Ų | 90 | 81.1 Ų | 81.1 | 46% | 0.462 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 174.5 | -69.5 | 164.1 | 0 | 0 | 0 | 110.9 | I65 L66 G73 | I65-I69 HydrophobicContact CG2-CD1 3.82Å; I65-I69 WeakPolarHBondContact O-CD1 3.48Å; I65-I69 VanDerWaalsContact O-CG1 3.23Å; I65-I69 WeakPolarHBondContact O-CG1 3.36Å; I65-I69 PolarHBondContact O-N 3.05Å; L66-I69 PolarHBondContact O-N 3.03Å; I69-G73 PolarHBondContact O-N 2.95Å |
| 70 | V | 48.7 | Very low | 50.7 | Low | 81 Ų | 81 | 83.3 Ų | 83.3 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 178.4 | 172 | 0 | 0 | 0 | 0 | 111.3 | L66 T67 D68 G73 I74 | L66-V70 WeakPolarHBondContact O-CG2 3.36Å; L66-V70 PolarHBondContact O-N 2.86Å; L66-V70 VanDerWaalsContact O-N 3.1Å; T67-V70 PolarHBondContact O-N 3.17Å; D68-V70 VanDerWaalsContact C-N 3.35Å; D68-V70 PolarHBondContact O-N 2.82Å; V70-G73 PolarHBondContact O-N 2.82Å; V70-I74 HydrophobicContact CG1-CD1 3.69Å; V70-I74 WeakPolarHBondContact O-CB 3.29Å; V70-I74 WeakPolarHBondContact O-CG1 3.48Å; V70-I74 PolarHBondContact O-N 2.85Å |
| 71 | H | 52.8 | Low | 50.3 | Low | 75 Ų | 75 | 89.6 Ų | 89.6 | 35% | 0.347 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 176.4 | -79.3 | 76.2 | 0 | 0 | 0 | 111.7 | T67 D68 G73 I74 F75 | T67-H71 PolarHBondContact O-N 3.39Å; T67-H71 PolarHBondContact O-ND1 3.11Å; D68-H71 PolarHBondContact O-N 2.82Å; H71-G73 VanDerWaalsContact C-N 3.3Å; H71-G73 PolarHBondContact O-N 3.17Å; H71-I74 PolarHBondContact O-N 3.14Å; H71-F75 WeakPolarHBondContact O-CB 3.36Å; H71-F75 PolarHBondContact O-N 3.41Å |
| 72 | F | 52.7 | Low | 49.7 | Very low | 95 Ų | 95 | 92.6 Ų | 92.6 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.6 | -33.2 | 175.7 | -153.6 | -92.4 | 0 | 0 | 0 | 111.8 | D68 Y76 A89 | D68-F72 VanDerWaalsContact O-CB 3.29Å; D68-F72 WeakPolarHBondContact O-CB 3.43Å; D68-F72 PolarHBondContact O-N 2.78Å; F72-Y76 HydrophobicContact CD1-CD2 4.08Å; F72-Y76 HydrophobicContact CD1-CE2 4.48Å; F72-Y76 AromaticContact CE1-CD2 3.59Å; F72-Y76 HydrophobicContact CE1-CD2 3.59Å; F72-Y76 AromaticContact CE1-CE2 3.56Å; F72-Y76 HydrophobicContact CE1-CE2 3.56Å; F72-Y76 AromaticContact CZ-CD2 3.85Å; F72-Y76 HydrophobicContact CZ-CD2 3.85Å; F72-Y76 AromaticContact CZ-CE2 3.58Å; F72-Y76 HydrophobicContact CZ-CE2 3.58Å; F72-Y76 WeakPolarHBondContact O-CB 3.01Å; F72-A89 HydrophobicContact CE2-CB 4.45Å; F72-A89 HydrophobicContact CZ-CB 4.24Å |
| 73 | G | 46.7 | Very low | 49.6 | Very low | 62 Ų | 62 | 94.5 Ų | 94.5 | 64% | 0.639 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.4 | -28.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | I69 V70 H71 | I69-G73 PolarHBondContact O-N 2.95Å; V70-G73 PolarHBondContact O-N 2.82Å; H71-G73 VanDerWaalsContact C-N 3.3Å; H71-G73 PolarHBondContact O-N 3.17Å |
| 74 | I | 44.1 | Very low | 49.4 | Very low | 126 Ų | 126 | 95.4 Ų | 95.4 | 65% | 0.646 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -92.1 | -37.9 | -178.3 | -71.5 | 171 | 0 | 0 | 0 | 112.3 | V70 H71 | V70-I74 HydrophobicContact CG1-CD1 3.69Å; V70-I74 WeakPolarHBondContact O-CB 3.29Å; V70-I74 WeakPolarHBondContact O-CG1 3.48Å; V70-I74 PolarHBondContact O-N 2.85Å; H71-I74 PolarHBondContact O-N 3.14Å |
| 75 | F | 52.5 | Low | 49.2 | Very low | 140 Ų | 140 | 97.9 Ų | 97.9 | 61% | 0.614 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -98.9 | 20.5 | -172.4 | -87.7 | -85.5 | 0 | 0 | 0 | 114.8 | H71 P77 | H71-F75 WeakPolarHBondContact O-CB 3.36Å; H71-F75 PolarHBondContact O-N 3.41Å; F75-P77 VanDerWaalsContact C-CD 3.46Å; F75-P77 WeakPolarHBondContact O-CD 3.49Å |
| 76 | Y | 46.3 | Very low | 49.2 | Very low | 153 Ų | 153 | 97.3 Ų | 97.3 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | trans | -95.4 | 88.7 | 177.8 | -152.5 | -90.3 | 0 | 0 | 0 | 111.8 | F72 | F72-Y76 HydrophobicContact CD1-CD2 4.08Å; F72-Y76 HydrophobicContact CD1-CE2 4.48Å; F72-Y76 AromaticContact CE1-CD2 3.59Å; F72-Y76 HydrophobicContact CE1-CD2 3.59Å; F72-Y76 AromaticContact CE1-CE2 3.56Å; F72-Y76 HydrophobicContact CE1-CE2 3.56Å; F72-Y76 AromaticContact CZ-CD2 3.85Å; F72-Y76 HydrophobicContact CZ-CD2 3.85Å; F72-Y76 AromaticContact CZ-CE2 3.58Å; F72-Y76 HydrophobicContact CZ-CE2 3.58Å; F72-Y76 WeakPolarHBondContact O-CB 3.01Å | ||
| 77 | P | 45 | Very low | 49.2 | Very low | 97 Ų | 97 | 98.5 Ų | 98.5 | 63% | 0.63 | 55% | 0.549 | S | S | * | . | trans | -72.9 | 134.5 | 164.4 | 29.5 | -31.3 | 0 | 0 | 0 | 109.3 | F75 Q79 | F75-P77 VanDerWaalsContact C-CD 3.46Å; F75-P77 WeakPolarHBondContact O-CD 3.49Å; P77-Q79 PolarHBondContact O-N 3.04Å | ||
| 78 | P | 51.9 | Low | 49.4 | Very low | 108 Ų | 108 | 97.4 Ų | 97.4 | 70% | 0.701 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -76.7 | 20.2 | -172.9 | 27 | -28.1 | 0 | 0 | 0 | 114.7 | ||
| 79 | Q | 48.8 | Very low | 49.6 | Very low | 153 Ų | 153 | 97.1 Ų | 97.1 | 72% | 0.715 | 54% | 0.544 | S | S | * | . | trans | -132.2 | 125.8 | -178.6 | -87.5 | 83.3 | 13.6 | 0 | 0 | 113.5 | P77 | P77-Q79 PolarHBondContact O-N 3.04Š| ||
| 80 | L | 47.2 | Very low | 49.8 | Very low | 158 Ų | 158 | 94.2 Ų | 94.2 | 83% | 0.827 | 54% | 0.537 | S | S | * | . | trans | 94.8 | 85.8 | 155.7 | -138.6 | 69.2 | 0 | 0 | 0 | 116.6 | V82 | L80-V82 VanDerWaalsContact C-N 3.33Å; L80-V82 PolarHBondContact O-N 3.27Å | ||
| 81 | L | 46.8 | Very low | 50 | Low | 151 Ų | 151 | 92.4 Ų | 92.4 | 79% | 0.791 | 52% | 0.523 | S | S | * | . | trans | -64.6 | 81.6 | 172 | -145.4 | 127.8 | 0 | 0 | 0 | 110.7 | ||||
| 82 | V | 48.4 | Very low | 50.1 | Low | 92 Ų | 92 | 90.4 Ų | 90.4 | 56% | 0.558 | 52% | 0.52 | S | S | * | . | trans | -74.5 | 124.1 | 162.3 | 172.7 | 0 | 0 | 0 | 0 | 106.9 | L80 V84 S85 | L80-V82 VanDerWaalsContact C-N 3.33Å; L80-V82 PolarHBondContact O-N 3.27Å; V82-V84 PolarHBondContact O-N 3.4Å; V82-S85 WeakPolarHBondContact O-CB 3.16Å; V82-S85 PolarHBondContact O-N 2.93Å; V82-S85 PolarHBondContact O-OG 3.38Å | ||
| 83 | A | 48.7 | Very low | 50.5 | Low | 83 Ų | 83 | 90.4 Ų | 90.4 | 69% | 0.686 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -47.5 | -25.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116 | F87 | A83-F87 PolarHBondContact O-N 3.4Å |
| 84 | V | 46.8 | Very low | 50.9 | Low | 101 Ų | 101 | 91.8 Ų | 91.8 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.5 | -38.1 | 175.2 | 179.6 | 0 | 0 | 0 | 0 | 112.8 | V82 S88 | V82-V84 PolarHBondContact O-N 3.4Å; V84-S88 PolarHBondContact O-N 3.4Å; V84-S88 VanDerWaalsContact O-N 3.07Å |
| 85 | S | 51.6 | Low | 51.5 | Low | 61 Ų | 61 | 86.9 Ų | 86.9 | 43% | 0.427 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72 | -37.9 | 179.9 | 65.6 | 0 | 0 | 0 | 0 | 112.5 | V82 S88 A89 | V82-S85 WeakPolarHBondContact O-CB 3.16Å; V82-S85 PolarHBondContact O-N 2.93Å; V82-S85 PolarHBondContact O-OG 3.38Å; S85-S88 PolarHBondContact O-N 2.8Å; S85-A89 VanDerWaalsContact O-CB 3.28Å; S85-A89 WeakPolarHBondContact O-CB 3.5Å; S85-A89 PolarHBondContact O-N 2.9Å |
| 86 | G | 53.3 | Low | 51.7 | Low | 32 Ų | 32 | 84.7 Ų | 84.7 | 33% | 0.33 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68 | -36.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G90 | G86-G90 PolarHBondContact O-N 3.37Å |
| 87 | F | 48.9 | Very low | 52.1 | Low | 138 Ų | 138 | 82.6 Ų | 82.6 | 61% | 0.605 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67 | -45.9 | 174.2 | -177.3 | -101.6 | 0 | 0 | 0 | 111.8 | A83 G90 M91 | A83-F87 PolarHBondContact O-N 3.4Å; F87-G90 PolarHBondContact O-N 3Å; F87-M91 HydrophobicContact CD1-CG 4.42Å; F87-M91 HydrophobicContact CE1-CG 4.08Å; F87-M91 HydrophobicContact CZ-CG 4.19Å; F87-M91 HydrophobicContact CZ-SD 4.43Å; F87-M91 WeakPolarHBondContact O-CG 3.44Å; F87-M91 PolarHBondContact O-N 2.93Å |
| 88 | S | 53.2 | Low | 52.7 | Low | 24 Ų | 24 | 82.4 Ų | 82.4 | 17% | 0.168 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 175.1 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | V84 S85 G90 M91 A92 | V84-S88 PolarHBondContact O-N 3.4Å; V84-S88 VanDerWaalsContact O-N 3.07Å; S85-S88 PolarHBondContact O-N 2.8Å; S88-G90 VanDerWaalsContact C-N 3.33Å; S88-G90 PolarHBondContact O-N 3.32Å; S88-M91 PolarHBondContact O-N 3.48Å; S88-A92 WeakPolarHBondContact O-CB 3.47Å; S88-A92 PolarHBondContact O-N 2.95Å |
| 89 | A | 54.3 | Low | 52.7 | Low | 20 Ų | 20 | 79.1 Ų | 79.1 | 17% | 0.165 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61 | -40.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F72 S85 A92 I93 | F72-A89 HydrophobicContact CE2-CB 4.45Å; F72-A89 HydrophobicContact CZ-CB 4.24Å; S85-A89 VanDerWaalsContact O-CB 3.28Å; S85-A89 WeakPolarHBondContact O-CB 3.5Å; S85-A89 PolarHBondContact O-N 2.9Å; A89-A92 PolarHBondContact O-N 2.98Å; A89-I93 WeakPolarHBondContact O-CD1 3.31Å; A89-I93 WeakPolarHBondContact O-CG1 3.36Å; A89-I93 PolarHBondContact O-N 3.32Å |
| 90 | G | 56.5 | Low | 52.9 | Low | 29 Ų | 29 | 75.6 Ų | 75.6 | 30% | 0.299 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G86 F87 S88 I93 L94 | G86-G90 PolarHBondContact O-N 3.37Å; F87-G90 PolarHBondContact O-N 3Å; S88-G90 VanDerWaalsContact C-N 3.33Å; S88-G90 PolarHBondContact O-N 3.32Å; G90-I93 PolarHBondContact O-N 2.97Å; G90-L94 WeakPolarHBondContact O-CB 3.4Å; G90-L94 WeakPolarHBondContact O-CG 3.46Å; G90-L94 PolarHBondContact O-N 3.11Å |
| 91 | M | 54.1 | Low | 53.2 | Low | 42 Ų | 42 | 71.5 Ų | 71.5 | 21% | 0.207 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68 | -34.9 | 175.6 | -68 | -53.2 | -57.8 | 0 | 0 | 112.4 | L18 W21 F87 S88 L94 S95 | L18-M91 HydrophobicContact CD2-CE 4.31Å; W21-M91 HydrophobicContact CE3-CE 3.81Å; W21-M91 HydrophobicContact CZ3-CE 3.67Å; F87-M91 HydrophobicContact CD1-CG 4.42Å; F87-M91 HydrophobicContact CE1-CG 4.08Å; F87-M91 HydrophobicContact CZ-CG 4.19Å; F87-M91 HydrophobicContact CZ-SD 4.43Å; F87-M91 WeakPolarHBondContact O-CG 3.44Å; F87-M91 PolarHBondContact O-N 2.93Å; S88-M91 PolarHBondContact O-N 3.48Å; M91-L94 PolarHBondContact O-N 2.96Å; M91-L94 HydrophobicContact SD-CD1 4.01Å; M91-S95 WeakPolarHBondContact O-CB 3.5Å; M91-S95 PolarHBondContact O-N 3.38Å |
| 92 | A | 54.8 | Low | 53.6 | Low | 34 Ų | 34 | 66.1 Ų | 66.1 | 28% | 0.281 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S88 A89 S95 L96 | S88-A92 WeakPolarHBondContact O-CB 3.47Å; S88-A92 PolarHBondContact O-N 2.95Å; A89-A92 PolarHBondContact O-N 2.98Å; A92-S95 WeakPolarHBondContact O-CB 3.3Å; A92-S95 PolarHBondContact O-N 3.47Å; A92-S95 PolarHBondContact O-OG 3.47Å; A92-L96 WeakPolarHBondContact O-CB 3.34Å; A92-L96 PolarHBondContact O-N 2.98Å |
| 93 | I | 59.8 | Low | 54 | Low | 95 Ų | 95 | 65.5 Ų | 65.5 | 49% | 0.487 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 175 | -68.6 | 161 | 0 | 0 | 0 | 111 | A89 G90 S95 L96 L97 | A89-I93 WeakPolarHBondContact O-CD1 3.31Å; A89-I93 WeakPolarHBondContact O-CG1 3.36Å; A89-I93 PolarHBondContact O-N 3.32Å; G90-I93 PolarHBondContact O-N 2.97Å; I93-S95 VanDerWaalsContact C-N 3.31Å; I93-S95 PolarHBondContact O-N 3.3Å; I93-L96 WeakPolarHBondContact O-CA 3.42Å; I93-L96 VanDerWaalsContact O-CB 3.29Å; I93-L96 WeakPolarHBondContact O-CB 3.4Å; I93-L96 PolarHBondContact O-N 2.95Å; I93-L96 VanDerWaalsContact O-N 3.11Å; I93-L97 HydrophobicContact CG2-CD1 4.3Å; I93-L97 PolarHBondContact O-N 3.23Å |
| 94 | L | 55.7 | Low | 54.6 | Low | 90 Ų | 90 | 67.4 Ų | 67.4 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62 | -40 | 173.9 | -79.6 | 165.7 | 0 | 0 | 0 | 111.7 | G90 M91 L96 L97 L98 | G90-L94 WeakPolarHBondContact O-CB 3.4Å; G90-L94 WeakPolarHBondContact O-CG 3.46Å; G90-L94 PolarHBondContact O-N 3.11Å; M91-L94 PolarHBondContact O-N 2.96Å; M91-L94 HydrophobicContact SD-CD1 4.01Å; L94-L96 PolarHBondContact O-N 2.64Å; L94-L97 PolarHBondContact O-N 2.74Å; L94-L98 WeakPolarHBondContact O-CB 3.4Å; L94-L98 WeakPolarHBondContact O-CD1 3.29Å; L94-L98 PolarHBondContact O-N 3.23Å |
| 95 | S | 57.4 | Low | 55.2 | Low | 24 Ų | 24 | 66.9 Ų | 66.9 | 17% | 0.168 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60 | -37.7 | 173 | 92.5 | 0 | 0 | 0 | 0 | 112 | M91 A92 I93 L98 K99 | M91-S95 WeakPolarHBondContact O-CB 3.5Å; M91-S95 PolarHBondContact O-N 3.38Å; A92-S95 WeakPolarHBondContact O-CB 3.3Å; A92-S95 PolarHBondContact O-N 3.47Å; A92-S95 PolarHBondContact O-OG 3.47Å; I93-S95 VanDerWaalsContact C-N 3.31Å; I93-S95 PolarHBondContact O-N 3.3Å; S95-L98 PolarHBondContact O-N 3.4Å; S95-K99 VanDerWaalsContact O-CD 3.3Å; S95-K99 WeakPolarHBondContact O-CD 3.48Å; S95-K99 VanDerWaalsContact O-CG 3.3Å; S95-K99 WeakPolarHBondContact O-CG 3.42Å; S95-K99 PolarHBondContact O-N 3.42Å |
| 96 | L | 56.3 | Low | 55.7 | Low | 93 Ų | 93 | 67.1 Ų | 67.1 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.7 | -37.7 | -179.7 | -141.4 | 150.8 | 0 | 0 | 0 | 111.2 | A92 I93 L94 P100 | A92-L96 WeakPolarHBondContact O-CB 3.34Å; A92-L96 PolarHBondContact O-N 2.98Å; I93-L96 WeakPolarHBondContact O-CA 3.42Å; I93-L96 VanDerWaalsContact O-CB 3.29Å; I93-L96 WeakPolarHBondContact O-CB 3.4Å; I93-L96 PolarHBondContact O-N 2.95Å; I93-L96 VanDerWaalsContact O-N 3.11Å; L94-L96 PolarHBondContact O-N 2.64Å; L96-P100 WeakPolarHBondContact O-CD 3.32Å |
| 97 | L | 55.6 | Low | 55.8 | Low | 109 Ų | 109 | 71.8 Ų | 71.8 | 57% | 0.571 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -73.9 | -30.1 | 174.7 | -83.5 | 161.9 | 0 | 0 | 0 | 113.6 | I93 L94 K99 P100 | I93-L97 HydrophobicContact CG2-CD1 4.3Å; I93-L97 PolarHBondContact O-N 3.23Å; L94-L97 PolarHBondContact O-N 2.74Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 2.92Å; L97-P100 VanDerWaalsContact O-CD 3.28Å; L97-P100 WeakPolarHBondContact O-CD 3.43Å; L97-P100 VanDerWaalsContact O-CG 3.31Å; L97-P100 WeakPolarHBondContact O-CG 3.23Å |
| 98 | L | 56.8 | Low | 56.1 | Low | 93 Ų | 93 | 67.3 Ų | 67.3 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -74.6 | -19.6 | 178.3 | -86.1 | 155.3 | 0 | 0 | 0 | 113.5 | L94 S95 S102 | L94-L98 WeakPolarHBondContact O-CB 3.4Å; L94-L98 WeakPolarHBondContact O-CD1 3.29Å; L94-L98 PolarHBondContact O-N 3.23Å; S95-L98 PolarHBondContact O-N 3.4Å; L98-S102 WeakPolarHBondContact O-CB 3.27Å; L98-S102 PolarHBondContact O-N 2.95Å; L98-S102 PolarHBondContact O-OG 3.49Å |
| 99 | K | 52.2 | Low | 56.2 | Low | 39 Ų | 39 | 70.1 Ų | 70.1 | 17% | 0.17 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.8 | -45.6 | -179.5 | -78 | 160 | 165 | 178.1 | 0 | 114.6 | I65 S95 L97 V101 S102 C103 | I65-K99 HydrophobicContact CD1-CB 4.35Å; I65-K99 HydrophobicContact CD1-CD 3.51Å; I65-K99 HydrophobicContact CD1-CG 4.08Å; I65-K99 HydrophobicContact CG1-CD 3.57Å; I65-K99 VanDerWaalsContact CG1-CE 3.48Å; S95-K99 VanDerWaalsContact O-CD 3.3Å; S95-K99 WeakPolarHBondContact O-CD 3.48Å; S95-K99 VanDerWaalsContact O-CG 3.3Å; S95-K99 WeakPolarHBondContact O-CG 3.42Å; S95-K99 PolarHBondContact O-N 3.42Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 2.92Å; K99-V101 VanDerWaalsContact C-N 3.3Å; K99-V101 PolarHBondContact O-N 3.38Å; K99-S102 PolarHBondContact O-N 3.32Å; K99-C103 VanDerWaalsContact O-CB 3.25Å; K99-C103 WeakPolarHBondContact O-CB 3.37Å; K99-C103 PolarHBondContact O-N 2.94Å |
| 100 | P | 51.8 | Low | 56.3 | Low | 80 Ų | 80 | 73.9 Ų | 73.9 | 52% | 0.519 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.5 | -33.5 | 172.7 | 22.8 | -32.5 | 0 | 0 | 0 | 112.3 | L96 L97 C103 F104 | L96-P100 WeakPolarHBondContact O-CD 3.32Å; L97-P100 VanDerWaalsContact O-CD 3.28Å; L97-P100 WeakPolarHBondContact O-CD 3.43Å; L97-P100 VanDerWaalsContact O-CG 3.31Å; L97-P100 WeakPolarHBondContact O-CG 3.23Å; P100-C103 PolarHBondContact O-N 3.18Å; P100-F104 VanDerWaalsContact O-CB 3.31Å; P100-F104 WeakPolarHBondContact O-CB 3.36Å; P100-F104 PolarHBondContact O-N 3.3Å |
| 101 | V | 55.1 | Low | 56.3 | Low | 72 Ų | 72 | 80.5 Ų | 80.5 | 44% | 0.436 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.3 | -48.1 | 174.8 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | K99 C103 F104 F105 | K99-V101 VanDerWaalsContact C-N 3.3Å; K99-V101 PolarHBondContact O-N 3.38Å; V101-C103 PolarHBondContact O-N 3.48Å; V101-F104 WeakPolarHBondContact O-CB 3.4Å; V101-F104 PolarHBondContact O-N 3.46Å; V101-F105 HydrophobicContact CG1-CD2 3.84Å; V101-F105 HydrophobicContact CG1-CE2 3.6Å; V101-F105 WeakPolarHBondContact O-CD2 3.33Å; V101-F105 PolarHBondContact O-N 2.91Å |
| 102 | S | 54.5 | Low | 56.1 | Low | 38 Ų | 38 | 84 Ų | 84 | 27% | 0.266 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 176.5 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | L98 K99 F104 F105 V106 | L98-S102 WeakPolarHBondContact O-CB 3.27Å; L98-S102 PolarHBondContact O-N 2.95Å; L98-S102 PolarHBondContact O-OG 3.49Å; K99-S102 PolarHBondContact O-N 3.32Å; S102-F104 VanDerWaalsContact C-N 3.33Å; S102-F104 PolarHBondContact O-N 2.92Å; S102-F105 PolarHBondContact O-N 3.02Å; S102-V106 WeakPolarHBondContact O-CG2 3.21Å; S102-V106 PolarHBondContact O-N 3.41Å |
| 103 | C | 57 | Low | 55.9 | Low | 78 Ų | 78 | 92.3 Ų | 92.3 | 53% | 0.527 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 174.2 | -175 | 0 | 0 | 0 | 0 | 111.6 | K99 P100 V101 V106 Y107 | K99-C103 VanDerWaalsContact O-CB 3.25Å; K99-C103 WeakPolarHBondContact O-CB 3.37Å; K99-C103 PolarHBondContact O-N 2.94Å; P100-C103 PolarHBondContact O-N 3.18Å; V101-C103 PolarHBondContact O-N 3.48Å; C103-V106 PolarHBondContact O-N 2.81Å; C103-Y107 VanDerWaalsContact O-CB 3.3Å; C103-Y107 WeakPolarHBondContact O-CB 3.48Å; C103-Y107 PolarHBondContact O-N 2.86Å |
| 104 | F | 61.8 | Low | 55.6 | Low | 123 Ų | 123 | 90.5 Ų | 90.5 | 54% | 0.539 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 177.1 | -173.8 | -99.6 | 0 | 0 | 0 | 111.6 | P100 V101 S102 Y107 Q108 | P100-F104 VanDerWaalsContact O-CB 3.31Å; P100-F104 WeakPolarHBondContact O-CB 3.36Å; P100-F104 PolarHBondContact O-N 3.3Å; V101-F104 WeakPolarHBondContact O-CB 3.4Å; V101-F104 PolarHBondContact O-N 3.46Å; S102-F104 VanDerWaalsContact C-N 3.33Å; S102-F104 PolarHBondContact O-N 2.92Å; F104-Y107 PolarHBondContact O-N 3.43Å; F104-Q108 HydrophobicContact CD1-CG 4.17Å; F104-Q108 HydrophobicContact CE1-CG 3.92Å; F104-Q108 HydrophobicContact CZ-CG 4.23Å; F104-Q108 WeakPolarHBondContact O-CG 2.87Å; F104-Q108 PolarHBondContact O-N 3.37Å |
| 105 | F | 58.6 | Low | 55.2 | Low | 91 Ų | 91 | 87.1 Ų | 87.1 | 40% | 0.399 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 176.5 | -81.5 | -69.8 | 0 | 0 | 0 | 113.1 | V101 S102 Q108 M109 | V101-F105 HydrophobicContact CG1-CD2 3.84Å; V101-F105 HydrophobicContact CG1-CE2 3.6Å; V101-F105 WeakPolarHBondContact O-CD2 3.33Å; V101-F105 PolarHBondContact O-N 2.91Å; S102-F105 PolarHBondContact O-N 3.02Å; F105-Q108 PolarHBondContact O-N 3.45Å; F105-M109 PolarHBondContact O-N 3.3Å |
| 106 | V | 61 | Low | 54.7 | Low | 65 Ų | 65 | 92.5 Ų | 92.5 | 39% | 0.394 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 175.3 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L58 S102 C103 Q108 M109 Y110 | L58-V106 HydrophobicContact CD1-CG1 4.48Å; S102-V106 WeakPolarHBondContact O-CG2 3.21Å; S102-V106 PolarHBondContact O-N 3.41Å; C103-V106 PolarHBondContact O-N 2.81Å; V106-Q108 VanDerWaalsContact C-N 3.33Å; V106-Q108 PolarHBondContact O-N 2.93Å; V106-M109 PolarHBondContact O-N 3.43Å; V106-Y110 PolarHBondContact O-N 3.21Å |
| 107 | Y | 55.8 | Low | 54.2 | Low | 130 Ų | 130 | 99.1 Ų | 99.1 | 51% | 0.51 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 174.3 | -178.5 | -102.6 | 0 | 0 | 0 | 112.2 | C103 F104 Y110 R111 | C103-Y107 VanDerWaalsContact O-CB 3.3Å; C103-Y107 WeakPolarHBondContact O-CB 3.48Å; C103-Y107 PolarHBondContact O-N 2.86Å; F104-Y107 PolarHBondContact O-N 3.43Å; Y107-Y110 WeakPolarHBondContact O-CB 3.47Å; Y107-Y110 PolarHBondContact O-N 2.9Å; Y107-R111 PolarHBondContact O-N 2.81Å |
| 108 | Q | 55.4 | Low | 53.5 | Low | 45 Ų | 45 | 98.2 Ų | 98.2 | 21% | 0.21 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 174.7 | -69.7 | -81.3 | 51.1 | 0 | 0 | 111.6 | F104 F105 V106 Y110 R111 E112 | F104-Q108 HydrophobicContact CD1-CG 4.17Å; F104-Q108 HydrophobicContact CE1-CG 3.92Å; F104-Q108 HydrophobicContact CZ-CG 4.23Å; F104-Q108 WeakPolarHBondContact O-CG 2.87Å; F104-Q108 PolarHBondContact O-N 3.37Å; F105-Q108 PolarHBondContact O-N 3.45Å; V106-Q108 VanDerWaalsContact C-N 3.33Å; V106-Q108 PolarHBondContact O-N 2.93Å; Q108-Y110 VanDerWaalsContact C-N 3.32Å; Q108-Y110 PolarHBondContact O-N 3.46Å; Q108-R111 WeakPolarHBondContact O-CB 3.4Å; Q108-R111 PolarHBondContact O-N 2.87Å; Q108-R111 VanDerWaalsContact O-N 3.12Å; Q108-E112 WeakPolarHBondContact O-CG 3.45Å; Q108-E112 PolarHBondContact O-N 3.31Å |
| 109 | M | 54.6 | Low | 52.8 | Low | 82 Ų | 82 | 99.5 Ų | 99.5 | 40% | 0.404 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -32.4 | 173.6 | -73 | -163.2 | 78.3 | 0 | 0 | 113.3 | F105 V106 R113 | F105-M109 PolarHBondContact O-N 3.3Å; V106-M109 PolarHBondContact O-N 3.43Å; M109-R113 WeakPolarHBondContact O-CG 3.38Å; M109-R113 PolarHBondContact O-N 3.32Å |
| 110 | Y | 57.3 | Low | 52.1 | Low | 99 Ų | 99 | 102.8 Ų | 102.8 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 170.8 | 175.6 | -100.6 | 0 | 0 | 0 | 111.5 | V106 Y107 Q108 G115 D116 | V106-Y110 PolarHBondContact O-N 3.21Å; Y107-Y110 WeakPolarHBondContact O-CB 3.47Å; Y107-Y110 PolarHBondContact O-N 2.9Å; Q108-Y110 VanDerWaalsContact C-N 3.32Å; Q108-Y110 PolarHBondContact O-N 3.46Å; Y110-G115 PolarHBondContact O-N 2.91Å; Y110-G115 VanDerWaalsContact O-N 3.12Å; Y110-D116 PolarHBondContact OH-O 3.47Å |
| 111 | R | 57.2 | Low | 51.7 | Low | 168 Ų | 168 | 107.2 Ų | 107.2 | 63% | 0.634 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.8 | -37 | 177.6 | -136.2 | 175.8 | 81 | 163.5 | 5.2 | 113.1 | Y107 Q108 R113 | Y107-R111 PolarHBondContact O-N 2.81Å; Q108-R111 WeakPolarHBondContact O-CB 3.4Å; Q108-R111 PolarHBondContact O-N 2.87Å; Q108-R111 VanDerWaalsContact O-N 3.12Å; R111-R113 VanDerWaalsContact C-N 3.34Å |
| 112 | E | 48.5 | Very low | 51 | Low | 115 Ų | 115 | 107.2 Ų | 107.2 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -75.6 | -19.9 | 179.9 | -71.9 | -179.4 | 168.5 | 0 | 0 | 113.6 | I3 Q108 G114 | I3-E112 WeakPolarHBondContact CD1-OE1 3.28Å; Q108-E112 WeakPolarHBondContact O-CG 3.45Å; Q108-E112 PolarHBondContact O-N 3.31Å; E112-G114 VanDerWaalsContact C-N 3.35Å |
| 113 | R | 52 | Low | 50.3 | Low | 209 Ų | 209 | 113.4 Ų | 113.4 | 79% | 0.789 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 8.1 | 177.3 | -74 | -179.3 | 172.1 | -155.9 | -3.7 | 114.4 | M109 R111 | M109-R113 WeakPolarHBondContact O-CG 3.38Å; M109-R113 PolarHBondContact O-N 3.32Å; R111-R113 VanDerWaalsContact C-N 3.34Å |
| 114 | G | 52.8 | Low | 49.5 | Very low | 57 Ų | 57 | 115.5 Ų | 115.5 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.7 | 38.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E112 D116 | E112-G114 VanDerWaalsContact C-N 3.35Å; G114-D116 PolarHBondContact O-N 3.48Å |
| 115 | G | 47.3 | Very low | 48.8 | Very low | 20 Ų | 20 | 114.6 Ų | 114.6 | 21% | 0.206 | 58% | 0.579 | C | S | . | * | trans | -51.4 | 104.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y110 Y117 | Y110-G115 PolarHBondContact O-N 2.91Å; Y110-G115 VanDerWaalsContact O-N 3.12Å; G115-Y117 PolarHBondContact O-N 3.41Å | ||
| 116 | D | 46.5 | Very low | 48.2 | Very low | 136 Ų | 136 | 116.5 Ų | 116.5 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | trans | -54.6 | 131.5 | 173.3 | -88.2 | -49.6 | 0 | 0 | 0 | 109.5 | Y110 G114 N118 | Y110-D116 PolarHBondContact OH-O 3.47Å; G114-D116 PolarHBondContact O-N 3.48Å; D116-N118 PolarHBondContact O-N 3.43Å | ||
| 117 | Y | 45.5 | Very low | 47.4 | Very low | 233 Ų | 233 | 116.4 Ų | 116.4 | 91% | 0.914 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -66.1 | 40.8 | -175 | -60.7 | -92.9 | 0 | 0 | 0 | 114.2 | G115 | G115-Y117 PolarHBondContact O-N 3.41Š|
| 118 | N | 42.2 | Very low | 47 | Very low | 90 Ų | 90 | 121.2 Ų | 121.2 | 48% | 0.481 | 62% | 0.617 | S | S | . | * | trans | -132.2 | 63.9 | -178.4 | -155 | -14 | 0 | 0 | 0 | 110.9 | D116 N120 | D116-N118 PolarHBondContact O-N 3.43Å; N118-N120 PolarHBondContact O-N 3.45Å | ||
| 119 | V | 41 | Very low | 46.6 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | trans | -67.3 | 86 | 154.5 | -85.3 | 0 | 0 | 0 | 0 | 107.6 | F121 | V119-F121 PolarHBondContact O-N 3.07Š| ||
| 120 | N | 39 | Very low | 46.3 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 57% | 0.572 | 65% | 0.652 | S | S | * | * | trans | -70.3 | 77.8 | 174 | -173.1 | 11.2 | 0 | 0 | 0 | 109.7 | N118 G122 | N118-N120 PolarHBondContact O-N 3.45Å; N120-G122 PolarHBondContact O-N 2.97Å | ||
| 121 | F | 42.5 | Very low | 45.9 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | trans | -78.2 | 88.9 | 165.6 | -134.6 | -88.4 | 0 | 0 | 0 | 107.1 | V119 F123 | V119-F121 PolarHBondContact O-N 3.07Å; F121-F123 VanDerWaalsContact C-N 3.25Å; F121-F123 WeakPolarHBondContact O-CD2 3.49Å; F121-F123 PolarHBondContact O-N 2.69Å | ||
| 122 | G | 40.7 | Very low | 45.4 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 42.3 | 31.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 120 | N120 | N120-G122 PolarHBondContact O-N 2.97Š|
| 123 | F | 39.7 | Very low | 45.2 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 73% | 0.732 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -133.2 | 144.7 | 175.8 | -76.2 | -75 | 0 | 0 | 0 | 109.1 | F121 T125 | F121-F123 VanDerWaalsContact C-N 3.25Å; F121-F123 WeakPolarHBondContact O-CD2 3.49Å; F121-F123 PolarHBondContact O-N 2.69Å; F123-T125 PolarHBondContact O-N 3.48Å |
| 124 | P | 39.8 | Very low | 44.9 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | trans | -62 | 117.2 | -165.7 | 25.8 | -32.7 | 0 | 0 | 0 | 110.5 | V126 | P124-V126 PolarHBondContact O-N 2.88Š| ||
| 125 | T | 47.3 | Very low | 44.9 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 64% | 0.638 | 70% | 0.696 | S | S | * | * | trans | -5.9 | 105.8 | 162.9 | -60.3 | 0 | 0 | 0 | 0 | 115.5 | F123 S127 | F123-T125 PolarHBondContact O-N 3.48Å; T125-S127 VanDerWaalsContact CG2-N 3.32Å | ||
| 126 | V | 45.5 | Very low | 45.3 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | trans | -104.2 | 73.2 | 139.9 | 179 | 0 | 0 | 0 | 0 | 106.2 | P124 R128 | P124-V126 PolarHBondContact O-N 2.88Å; V126-R128 VanDerWaalsContact C-N 3.26Å; V126-R128 PolarHBondContact O-N 3.23Å | ||
| 127 | S | 45.1 | Very low | 45.7 | Very low | 63 Ų | 63 | 141.6 Ų | 141.6 | 44% | 0.441 | 72% | 0.723 | S | S | . | * | trans | -63.7 | 99.4 | 157.8 | 178.9 | 0 | 0 | 0 | 0 | 105.2 | T125 N129 | T125-S127 VanDerWaalsContact CG2-N 3.32Å; S127-N129 PolarHBondContact O-N 2.91Å | ||
| 128 | R | 48 | Very low | 45.9 | Very low | 230 Ų | 230 | 139.8 Ų | 139.8 | 87% | 0.868 | 72% | 0.723 | S | S | * | * | trans | -73 | 82 | 163.7 | -158.6 | 177 | -164.7 | 172 | 4.5 | 105.6 | V126 R130 | V126-R128 VanDerWaalsContact C-N 3.26Å; V126-R128 PolarHBondContact O-N 3.23Å; R128-R130 VanDerWaalsContact C-N 3.3Å; R128-R130 PolarHBondContact O-N 2.91Å | ||
| 129 | N | 45.2 | Very low | 46.2 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 50% | 0.503 | 74% | 0.744 | S | S | . | * | trans | -52 | 94.8 | 173.3 | -151.4 | -33.1 | 0 | 0 | 0 | 107.3 | S127 T132 | S127-N129 PolarHBondContact O-N 2.91Å; N129-T132 PolarHBondContact OD1-OG1 3.32Å | ||
| 130 | R | 48.5 | Very low | 46.4 | Very low | 225 Ų | 225 | 146.6 Ų | 146.6 | 85% | 0.849 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 6.2 | 176.2 | -168.5 | 146.2 | 154.9 | 138.4 | -8.9 | 111 | R128 | R128-R130 VanDerWaalsContact C-N 3.3Å; R128-R130 PolarHBondContact O-N 2.91Å |
| 131 | D | 50 | Low | 46.6 | Very low | 147 Ų | 147 | 150.7 Ų | 150.7 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 7.7 | 173.4 | -56.6 | -51.6 | 0 | 0 | 0 | 112.9 | ||
| 132 | T | 47.3 | Very low | 46.5 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 61% | 0.607 | 77% | 0.77 | S | S | * | * | trans | -102.4 | 13.2 | 178.7 | -33.2 | 0 | 0 | 0 | 0 | 114.3 | N129 | N129-T132 PolarHBondContact OD1-OG1 3.32Š| ||
| 133 | Y | 42.3 | Very low | 46.5 | Very low | 228 Ų | 228 | 150.1 Ų | 150.1 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | trans | -100.3 | 66.8 | 161.9 | -84.2 | -86.9 | 0 | 0 | 0 | 109.7 | S135 | Y133-S135 PolarHBondContact O-N 3.07Š| ||
| 134 | Q | 47.5 | Very low | 46.4 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -68 | 113.3 | 147.4 | -95.3 | -174.9 | -58.2 | 0 | 0 | 106.5 | I136 | Q134-I136 PolarHBondContact O-N 2.8Š| ||
| 135 | S | 52.7 | Low | 46.8 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -63.8 | 104.5 | 161 | 49 | 0 | 0 | 0 | 0 | 107.5 | Y133 D137 | Y133-S135 PolarHBondContact O-N 3.07Å; S135-D137 PolarHBondContact O-N 2.92Å | ||
| 136 | I | 54.4 | Low | 46.3 | Very low | 144 Ų | 144 | 147.1 Ų | 147.1 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -56.7 | 132.1 | 161.5 | -65.1 | 160.1 | 0 | 0 | 0 | 105.9 | Q134 | Q134-I136 PolarHBondContact O-N 2.8Š|
| 137 | D | 55.7 | Low | 45.9 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 93 | 77.4 | 179.4 | -48.4 | -37.7 | 0 | 0 | 0 | 117.3 | S135 | S135-D137 PolarHBondContact O-N 2.92Š| ||
| 138 | Q | 49.6 | Very low | 46 | Very low | 194 Ų | 194 | 150 Ų | 150 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | -170.9 | 71 | 128.3 | -115.9 | 169.2 | -25 | 0 | 0 | 111.8 | |||||
| 139 | Q | 48.4 | Very low | 45.4 | Very low | 198 Ų | 198 | 148.8 Ų | 148.8 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -103.9 | 81.4 | 150.9 | -108.7 | 179.9 | -12.4 | 0 | 0 | 106.4 | ||||
| 140 | D | 44.9 | Very low | 45.6 | Very low | 156 Ų | 156 | 152.2 Ų | 152.2 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -122.7 | 115.8 | 151.6 | -93.9 | -35.5 | 0 | 0 | 0 | 106.5 | S142 | D140-S142 PolarHBondContact O-N 2.84Š| ||
| 141 | E | 43.3 | Very low | 45.4 | Very low | 193 Ų | 193 | 150 Ų | 150 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -52.4 | 119 | -177.5 | -73.9 | 166.4 | 70.3 | 0 | 0 | 112.1 | ||||
| 142 | S | 41.2 | Very low | 45 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -119.7 | 85.6 | 154.8 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | D140 | D140-S142 PolarHBondContact O-N 2.84Š| ||
| 143 | S | 40.4 | Very low | 44.9 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -115.8 | 120.7 | 162.6 | -51.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 144 | G | 36.9 | Very low | 44.8 | Very low | 70 Ų | 70 | 145.5 Ų | 145.5 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | -62.7 | -179.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 145 | P | 47.9 | Very low | 44.4 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -83 | 139.5 | -161.4 | 33.5 | -32.6 | 0 | 0 | 0 | 112.3 | ||||
| 146 | T | 36.5 | Very low | 43.7 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | trans | 162.7 | 112.6 | 131.2 | 35.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 147 | N | 38.4 | Very low | 43.4 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | trans | 15.3 | 170.9 | 137.4 | -91.1 | -22.3 | 0 | 0 | 0 | 121.9 | ||||
| 148 | P | 46 | Very low | 42.6 | Very low | 97 Ų | 97 | 143.2 Ų | 143.2 | 63% | 0.63 | 82% | 0.822 | S | S | * | * | cis | -140.4 | 126.7 | -21.4 | 32.5 | -11.9 | 0 | 0 | 0 | 112.7 | ||||
| 149 | F | 36.9 | Very low | 42.2 | Very low | 204 Ų | 204 | 140.7 Ų | 140.7 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | trans | -139.7 | 78.9 | 167.9 | -101.2 | -87.9 | 0 | 0 | 0 | 110.5 | ||||
| 150 | N | 48.2 | Very low | 41.9 | Very low | 166 Ų | 166 | 142 Ų | 142 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -117.9 | 84.2 | 164.3 | -139.9 | 13.7 | 0 | 0 | 0 | 107.4 | ||||
| 151 | Q | 44.8 | Very low | 41.8 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -141.3 | 99.4 | 167.1 | -78 | -172.4 | -22.1 | 0 | 0 | 108.1 | ||||
| 152 | A | 41.8 | Very low | 42.1 | Very low | 96 Ų | 96 | 145.1 Ų | 145.1 | 79% | 0.793 | 82% | 0.824 | S | S | * | * | trans | -123.1 | 121.4 | 154 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 153 | P | 44.5 | Very low | 42.1 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | trans | -92.3 | 123.5 | 175.2 | 32.6 | -25 | 0 | 0 | 0 | 109.2 | ||||
| 154 | D | 41.9 | Very low | 42.2 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | trans | -137.5 | 103.1 | 163.4 | -119.2 | -37.1 | 0 | 0 | 0 | 112.5 | ||||
| 155 | T | 37.3 | Very low | 42.5 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | trans | -8.4 | 122.4 | 156.8 | -44.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 156 | K | 39.5 | Very low | 42.2 | Very low | 204 Ų | 204 | 154.2 Ų | 154.2 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | -165.8 | 137.9 | 125.4 | -118.6 | 176.7 | -178 | 176.6 | 0 | 113.3 | |||||
| 157 | P | 46.9 | Very low | 42.5 | Very low | 122 Ų | 122 | 155.1 Ų | 155.1 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | trans | -98.7 | 151.8 | -177.5 | 36.8 | -31.2 | 0 | 0 | 0 | 113.6 | ||||
| 158 | G | 38.6 | Very low | 42.8 | Very low | 71 Ų | 71 | 155 Ų | 155 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | trans | 116.1 | 112.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 159 | V | 42.3 | Very low | 42.6 | Very low | 141 Ų | 141 | 159.1 Ų | 159.1 | 86% | 0.855 | 85% | 0.846 | S | S | * | * | 176.2 | 132.1 | 88.2 | 160.5 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 160 | R | 42.3 | Very low | 43 | Very low | 226 Ų | 226 | 155.7 Ų | 155.7 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | trans | -86.4 | 137.6 | 177.1 | -155.7 | -173.2 | -154.4 | -175.8 | 5.2 | 108.3 | ||||
| 161 | T | 42.2 | Very low | 42.6 | Very low | 126 Ų | 126 | 154.8 Ų | 154.8 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | trans | -137.7 | 144.4 | 156.2 | -31.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 162 | Y | 49.3 | Very low | 42.4 | Very low | 287 Ų | 287 | 152.7 Ų | 152.7 | 100% | 1.125 | 84% | 0.839 | S | S | * | * | trans | -63 | 0 | -161.8 | -68.4 | -97 | 0 | 0 | 0 | 115.6 |
Retrieved 162 of 162 residues in 92.9 ms
(Link to these results)