| 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 | 47.6 | Very low | 70.3 | Confident | 204 Ų | 204 | 87 Ų | 87 | 100% | 1.005 | 50% | 0.504 | S | S | * | . | 0 | -24.6 | 0 | -88.3 | 177.7 | -153 | 0 | 0 | 114.8 | |||||
| 2 | A | 54.8 | Low | 71.4 | Confident | 84 Ų | 84 | 91.2 Ų | 91.2 | 69% | 0.694 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I4 K5 A6 | A2-I4 PolarHBondContact O-N 3.01Å; A2-K5 PolarHBondContact O-N 3.43Å; A2-A6 PolarHBondContact O-N 3.37Å |
| 3 | G | 62.8 | Low | 72.3 | Confident | 33 Ų | 33 | 85.2 Ų | 85.2 | 34% | 0.34 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -36 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A6 L7 | G3-A6 PolarHBondContact O-N 3.09Å; G3-L7 WeakPolarHBondContact O-CB 3.36Å; G3-L7 VanDerWaalsContact O-CG 3.26Å; G3-L7 WeakPolarHBondContact O-CG 3.49Å; G3-L7 PolarHBondContact O-N 3.32Å |
| 4 | I | 72.4 | Confident | 72.8 | Confident | 106 Ų | 106 | 80.4 Ų | 80.4 | 54% | 0.544 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 179.9 | -65.7 | 163.3 | 0 | 0 | 0 | 110.9 | A2 A6 L7 I8 | A2-I4 PolarHBondContact O-N 3.01Å; I4-A6 VanDerWaalsContact C-N 3.34Å; I4-A6 PolarHBondContact O-N 2.99Å; I4-L7 PolarHBondContact O-N 3.18Å; I4-I8 HydrophobicContact CG2-CD1 3.79Å; I4-I8 HydrophobicContact CG2-CG1 4.47Å; I4-I8 WeakPolarHBondContact O-CD1 3.32Å; I4-I8 WeakPolarHBondContact O-CG1 3.24Å; I4-I8 PolarHBondContact O-N 3.03Å |
| 5 | K | 67.6 | Low | 73.5 | Confident | 159 Ų | 159 | 78.8 Ų | 78.8 | 69% | 0.691 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.9 | -40 | 177.7 | -69.3 | 176.1 | 179.7 | -82 | 0 | 111.4 | A2 I8 S9 | A2-K5 PolarHBondContact O-N 3.43Å; K5-I8 PolarHBondContact O-N 3.4Å; K5-S9 PolarHBondContact O-N 2.85Å; K5-S9 VanDerWaalsContact O-N 3.07Å |
| 6 | A | 72 | Confident | 74.1 | Confident | 19 Ų | 19 | 78.8 Ų | 78.8 | 16% | 0.157 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65 | -46.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | A2 G3 I4 I8 S9 L10 V119 | A2-A6 PolarHBondContact O-N 3.37Å; G3-A6 PolarHBondContact O-N 3.09Å; I4-A6 VanDerWaalsContact C-N 3.34Å; I4-A6 PolarHBondContact O-N 2.99Å; A6-I8 VanDerWaalsContact C-N 3.33Å; A6-I8 PolarHBondContact O-N 2.73Å; A6-S9 PolarHBondContact O-N 2.85Å; A6-S9 VanDerWaalsContact O-N 3.16Å; A6-S9 PolarHBondContact O-OG 3.06Å; A6-L10 WeakPolarHBondContact O-CD1 3.36Å; A6-L10 PolarHBondContact O-N 3.4Å; A6-V119 HydrophobicContact CB-CG1 3.83Å; A6-V119 HydrophobicContact CB-CG2 4.02Å |
| 7 | L | 75.8 | Confident | 74.4 | Confident | 75 Ų | 75 | 74.2 Ų | 74.2 | 39% | 0.393 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 176 | -75.5 | 170.2 | 0 | 0 | 0 | 112.3 | G3 I4 L10 S11 F120 | G3-L7 WeakPolarHBondContact O-CB 3.36Å; G3-L7 VanDerWaalsContact O-CG 3.26Å; G3-L7 WeakPolarHBondContact O-CG 3.49Å; G3-L7 PolarHBondContact O-N 3.32Å; I4-L7 PolarHBondContact O-N 3.18Å; L7-L10 PolarHBondContact O-N 3.34Å; L7-S11 PolarHBondContact O-N 2.94Å; L7-S11 PolarHBondContact O-OG 3.46Å; L7-F120 HydrophobicContact CD1-CZ 4.3Å; L7-F120 HydrophobicContact CD2-CE2 3.76Å; L7-F120 HydrophobicContact CD2-CZ 3.67Å; L7-F120 HydrophobicContact CG-CE2 4.34Å; L7-F120 HydrophobicContact CG-CZ 3.98Å |
| 8 | I | 82.2 | Confident | 74.3 | Confident | 89 Ų | 89 | 74.6 Ų | 74.6 | 46% | 0.456 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 175.8 | -67.3 | 162.4 | 0 | 0 | 0 | 109.9 | I4 K5 A6 L10 S11 F12 | I4-I8 HydrophobicContact CG2-CD1 3.79Å; I4-I8 HydrophobicContact CG2-CG1 4.47Å; I4-I8 WeakPolarHBondContact O-CD1 3.32Å; I4-I8 WeakPolarHBondContact O-CG1 3.24Å; I4-I8 PolarHBondContact O-N 3.03Å; K5-I8 PolarHBondContact O-N 3.4Å; A6-I8 VanDerWaalsContact C-N 3.33Å; A6-I8 PolarHBondContact O-N 2.73Å; I8-L10 VanDerWaalsContact C-N 3.3Å; I8-L10 PolarHBondContact O-N 2.96Å; I8-S11 PolarHBondContact O-N 3.39Å; I8-F12 HydrophobicContact CG2-CD2 3.83Å; I8-F12 HydrophobicContact CG2-CE2 3.82Å; I8-F12 VanDerWaalsContact O-CD2 3.32Å; I8-F12 WeakPolarHBondContact O-CD2 3.4Å; I8-F12 PolarHBondContact O-N 3.24Å; I8-F12 VanDerWaalsContact O-N 3.07Å |
| 9 | S | 77.6 | Confident | 74.5 | Confident | 75 Ų | 75 | 77.1 Ų | 77.1 | 52% | 0.524 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.7 | -36.8 | 179.1 | 72.2 | 0 | 0 | 0 | 0 | 113 | K5 A6 F12 G13 | K5-S9 PolarHBondContact O-N 2.85Å; K5-S9 VanDerWaalsContact O-N 3.07Å; A6-S9 PolarHBondContact O-N 2.85Å; A6-S9 VanDerWaalsContact O-N 3.16Å; A6-S9 PolarHBondContact O-OG 3.06Å; S9-F12 PolarHBondContact O-N 3.5Å; S9-G13 PolarHBondContact O-N 3.08Å |
| 10 | L | 77.9 | Confident | 74.5 | Confident | 27 Ų | 27 | 76.8 Ų | 76.8 | 14% | 0.141 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 175.3 | -103.7 | 92.9 | 0 | 0 | 0 | 112.3 | A6 L7 I8 F12 G13 G14 T112 F116 | A6-L10 WeakPolarHBondContact O-CD1 3.36Å; A6-L10 PolarHBondContact O-N 3.4Å; L7-L10 PolarHBondContact O-N 3.34Å; I8-L10 VanDerWaalsContact C-N 3.3Å; I8-L10 PolarHBondContact O-N 2.96Å; L10-F12 VanDerWaalsContact C-N 3.28Å; L10-F12 PolarHBondContact O-N 3.42Å; L10-G13 PolarHBondContact O-N 3.03Å; L10-G13 VanDerWaalsContact O-N 3.14Å; L10-G14 PolarHBondContact O-N 3.45Å; L10-T112 HydrophobicContact CB-CG2 3.98Å; L10-T112 HydrophobicContact CD2-CG2 3.91Å; L10-T112 WeakPolarHBondContact CD2-O 3.5Å; L10-T112 HydrophobicContact CG-CG2 3.66Å; L10-T112 VanDerWaalsContact O-CG2 3.22Å; L10-T112 WeakPolarHBondContact O-CG2 3.42Å; L10-F116 HydrophobicContact CD2-CB 3.55Å; L10-F116 HydrophobicContact CD2-CD2 3.77Å; L10-F116 HydrophobicContact CD2-CG 4.14Å |
| 11 | S | 82.6 | Confident | 74.3 | Confident | 86 Ų | 86 | 73.7 Ų | 73.7 | 60% | 0.601 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61 | -39.2 | 177.9 | -66.9 | 0 | 0 | 0 | 0 | 111.8 | L7 I8 G14 A15 | L7-S11 PolarHBondContact O-N 2.94Å; L7-S11 PolarHBondContact O-OG 3.46Å; I8-S11 PolarHBondContact O-N 3.39Å; S11-G14 PolarHBondContact O-N 3.47Å; S11-A15 WeakPolarHBondContact O-CB 3.37Å; S11-A15 PolarHBondContact O-N 2.98Å |
| 12 | F | 84 | Confident | 75.4 | Confident | 137 Ų | 137 | 69.5 Ų | 69.5 | 60% | 0.601 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 172.9 | -88.1 | -79.2 | 0 | 0 | 0 | 112.1 | I8 S9 L10 G14 A15 I16 | I8-F12 HydrophobicContact CG2-CD2 3.83Å; I8-F12 HydrophobicContact CG2-CE2 3.82Å; I8-F12 VanDerWaalsContact O-CD2 3.32Å; I8-F12 WeakPolarHBondContact O-CD2 3.4Å; I8-F12 PolarHBondContact O-N 3.24Å; I8-F12 VanDerWaalsContact O-N 3.07Å; S9-F12 PolarHBondContact O-N 3.5Å; L10-F12 VanDerWaalsContact C-N 3.28Å; L10-F12 PolarHBondContact O-N 3.42Å; F12-G14 PolarHBondContact O-N 3.48Å; F12-A15 PolarHBondContact O-N 3.07Å; F12-I16 WeakPolarHBondContact O-CB 3.33Å; F12-I16 WeakPolarHBondContact O-CD1 3.14Å; F12-I16 VanDerWaalsContact O-CG1 3.22Å; F12-I16 WeakPolarHBondContact O-CG1 3.3Å; F12-I16 PolarHBondContact O-N 3.43Å |
| 13 | G | 83.3 | Confident | 76 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 13% | 0.134 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S9 L10 I16 G17 V108 | S9-G13 PolarHBondContact O-N 3.08Å; L10-G13 PolarHBondContact O-N 3.03Å; L10-G13 VanDerWaalsContact O-N 3.14Å; G13-I16 PolarHBondContact O-N 3.39Å; G13-G17 PolarHBondContact O-N 2.94Å; G13-V108 VanDerWaalsContact O-CG1 3.3Å; G13-V108 WeakPolarHBondContact O-CG1 3.12Å |
| 14 | G | 79.1 | Confident | 76.1 | Confident | 19 Ų | 19 | 67.9 Ų | 67.9 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L10 S11 F12 I16 G17 L18 | L10-G14 PolarHBondContact O-N 3.45Å; S11-G14 PolarHBondContact O-N 3.47Å; F12-G14 PolarHBondContact O-N 3.48Å; G14-I16 PolarHBondContact O-N 3.24Å; G14-G17 PolarHBondContact O-N 3.45Å; G14-L18 WeakPolarHBondContact O-CG 3.28Å; G14-L18 PolarHBondContact O-N 3.4Å |
| 15 | A | 82.3 | Confident | 75.6 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S11 F12 L18 M19 | S11-A15 WeakPolarHBondContact O-CB 3.37Å; S11-A15 PolarHBondContact O-N 2.98Å; F12-A15 PolarHBondContact O-N 3.07Å; A15-L18 PolarHBondContact O-N 3.44Å; A15-M19 WeakPolarHBondContact O-CB 3.27Å; A15-M19 PolarHBondContact O-N 3.44Å |
| 16 | I | 83.3 | Confident | 75.1 | Confident | 79 Ų | 79 | 60.3 Ų | 60.3 | 41% | 0.405 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 176.2 | -70.2 | 164.6 | 0 | 0 | 0 | 110.7 | F12 G13 G14 M19 F20 V108 | F12-I16 WeakPolarHBondContact O-CB 3.33Å; F12-I16 WeakPolarHBondContact O-CD1 3.14Å; F12-I16 VanDerWaalsContact O-CG1 3.22Å; F12-I16 WeakPolarHBondContact O-CG1 3.3Å; F12-I16 PolarHBondContact O-N 3.43Å; G13-I16 PolarHBondContact O-N 3.39Å; G14-I16 PolarHBondContact O-N 3.24Å; I16-M19 WeakPolarHBondContact O-CB 3.3Å; I16-M19 PolarHBondContact O-N 3.06Å; I16-F20 HydrophobicContact CG2-CD2 3.68Å; I16-F20 HydrophobicContact CG2-CE2 3.31Å; I16-F20 HydrophobicContact CG2-CZ 4.35Å; I16-F20 WeakPolarHBondContact O-CD2 3.01Å; I16-F20 PolarHBondContact O-N 2.91Å; I16-V108 HydrophobicContact CG2-CG1 4.47Å |
| 17 | G | 79.2 | Confident | 74.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G13 G14 M19 F20 L21 | G13-G17 PolarHBondContact O-N 2.94Å; G14-G17 PolarHBondContact O-N 3.45Å; G17-M19 VanDerWaalsContact C-N 3.34Å; G17-F20 PolarHBondContact O-N 2.91Å; G17-L21 PolarHBondContact O-N 2.91Å; G17-L21 VanDerWaalsContact O-N 3.1Å |
| 18 | L | 72.6 | Confident | 73 | Confident | 82 Ų | 82 | 65.9 Ų | 65.9 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.6 | -35.4 | 176.2 | -69.9 | 174.5 | 0 | 0 | 0 | 112.4 | G14 A15 L21 M22 | G14-L18 WeakPolarHBondContact O-CG 3.28Å; G14-L18 PolarHBondContact O-N 3.4Å; A15-L18 PolarHBondContact O-N 3.44Å; L18-L21 WeakPolarHBondContact O-CB 3.17Å; L18-L21 PolarHBondContact O-N 3.41Å; L18-M22 PolarHBondContact O-N 3Å |
| 19 | M | 79.5 | Confident | 71.6 | Confident | 121 Ų | 121 | 67.2 Ų | 67.2 | 60% | 0.596 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.3 | -48.4 | 174.5 | -170.8 | -171.2 | 170.9 | 0 | 0 | 110.5 | A15 I16 G17 L21 M22 L23 | A15-M19 WeakPolarHBondContact O-CB 3.27Å; A15-M19 PolarHBondContact O-N 3.44Å; I16-M19 WeakPolarHBondContact O-CB 3.3Å; I16-M19 PolarHBondContact O-N 3.06Å; G17-M19 VanDerWaalsContact C-N 3.34Å; M19-L21 VanDerWaalsContact C-N 3.29Å; M19-L21 PolarHBondContact O-N 3.39Å; M19-M22 PolarHBondContact O-N 3.27Å; M19-M22 VanDerWaalsContact O-N 3.13Å; M19-L23 HydrophobicContact CE-CD1 3.92Å; M19-L23 HydrophobicContact CG-CD1 3.6Å; M19-L23 WeakPolarHBondContact O-CD1 3.46Å; M19-L23 PolarHBondContact O-N 3.48Å |
| 20 | F | 72.9 | Confident | 70.4 | Confident | 71 Ų | 71 | 65.4 Ų | 65.4 | 31% | 0.311 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.8 | -37.5 | 176.6 | -75.6 | -57.3 | 0 | 0 | 0 | 113.1 | I16 G17 L23 G24 L101 | I16-F20 HydrophobicContact CG2-CD2 3.68Å; I16-F20 HydrophobicContact CG2-CE2 3.31Å; I16-F20 HydrophobicContact CG2-CZ 4.35Å; I16-F20 WeakPolarHBondContact O-CD2 3.01Å; I16-F20 PolarHBondContact O-N 2.91Å; G17-F20 PolarHBondContact O-N 2.91Å; F20-L23 PolarHBondContact O-N 3.01Å; F20-G24 PolarHBondContact O-N 3.3Å; F20-G24 VanDerWaalsContact O-N 3.07Å; F20-L101 HydrophobicContact CB-CD2 4.38Å; F20-L101 HydrophobicContact CD1-CD2 3.47Å; F20-L101 VanDerWaalsContact CD1-CD2 3.47Å; F20-L101 HydrophobicContact CE1-CD2 4.18Å; F20-L101 HydrophobicContact CG-CD2 4.34Å |
| 21 | L | 70.9 | Confident | 68.9 | Low | 12 Ų | 12 | 69.6 Ų | 69.6 | 6% | 0.063 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 173.6 | -166.8 | 77.2 | 0 | 0 | 0 | 111.3 | G17 L18 M19 G24 C25 L38 V102 | G17-L21 PolarHBondContact O-N 2.91Å; G17-L21 VanDerWaalsContact O-N 3.1Å; L18-L21 WeakPolarHBondContact O-CB 3.17Å; L18-L21 PolarHBondContact O-N 3.41Å; M19-L21 VanDerWaalsContact C-N 3.29Å; M19-L21 PolarHBondContact O-N 3.39Å; L21-G24 PolarHBondContact O-N 3.36Å; L21-C25 PolarHBondContact O-N 3.31Å; L21-L38 HydrophobicContact CD1-CD1 4.27Å; L21-V102 HydrophobicContact CD1-CG1 4.07Å; L21-V102 HydrophobicContact CD1-CG2 4.18Å |
| 22 | M | 71 | Confident | 67.5 | Low | 117 Ų | 117 | 71.1 Ų | 71.1 | 58% | 0.576 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.7 | -40.3 | 176.7 | -87.7 | -68.4 | 172.4 | 0 | 0 | 112.7 | L18 M19 G24 C25 A26 | L18-M22 PolarHBondContact O-N 3Å; M19-M22 PolarHBondContact O-N 3.27Å; M19-M22 VanDerWaalsContact O-N 3.13Å; M22-G24 VanDerWaalsContact C-N 3.26Å; M22-G24 PolarHBondContact O-N 3.01Å; M22-C25 PolarHBondContact O-N 3.29Å; M22-C25 VanDerWaalsContact O-N 3.1Å; M22-A26 WeakPolarHBondContact O-CB 3.44Å; M22-A26 PolarHBondContact O-N 2.6Å |
| 23 | L | 67.1 | Low | 66 | Low | 81 Ų | 81 | 72.7 Ų | 72.7 | 42% | 0.424 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.6 | -32.3 | 174.7 | -87.6 | 86.7 | 0 | 0 | 0 | 112.3 | M19 F20 C25 | M19-L23 HydrophobicContact CE-CD1 3.92Å; M19-L23 HydrophobicContact CG-CD1 3.6Å; M19-L23 WeakPolarHBondContact O-CD1 3.46Å; M19-L23 PolarHBondContact O-N 3.48Å; F20-L23 PolarHBondContact O-N 3.01Å; L23-C25 VanDerWaalsContact C-N 3.29Å; L23-C25 PolarHBondContact O-N 2.99Å |
| 24 | G | 65.8 | Low | 64.5 | Low | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.01 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.2 | -29.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F20 L21 M22 | F20-G24 PolarHBondContact O-N 3.3Å; F20-G24 VanDerWaalsContact O-N 3.07Å; L21-G24 PolarHBondContact O-N 3.36Å; M22-G24 VanDerWaalsContact C-N 3.26Å; M22-G24 PolarHBondContact O-N 3.01Å |
| 25 | C | 61.5 | Low | 63.4 | Low | 31 Ų | 31 | 78.1 Ų | 78.1 | 21% | 0.209 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -94.6 | -28.9 | 179.6 | -64.5 | 0 | 0 | 0 | 0 | 114.3 | L21 M22 L23 P35 | L21-C25 PolarHBondContact O-N 3.31Å; M22-C25 PolarHBondContact O-N 3.29Å; M22-C25 VanDerWaalsContact O-N 3.1Å; L23-C25 VanDerWaalsContact C-N 3.29Å; L23-C25 PolarHBondContact O-N 2.99Å; C25-P35 VanDerWaalsContact SG-CB 3.56Å; C25-P35 VanDerWaalsContact SG-CG 3.53Å |
| 26 | A | 57.4 | Low | 62.2 | Low | 76 Ų | 76 | 79.6 Ų | 79.6 | 63% | 0.628 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -96.7 | -5.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | M22 | M22-A26 WeakPolarHBondContact O-CB 3.44Å; M22-A26 PolarHBondContact O-N 2.6Å |
| 27 | L | 54.5 | Low | 61 | Low | 92 Ų | 92 | 81.2 Ų | 81.2 | 48% | 0.482 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -70.3 | 127.3 | 174.1 | -151.3 | 71.4 | 0 | 0 | 0 | 108.6 | V29 Y30 | L27-V29 PolarHBondContact O-N 3.36Å; L27-Y30 HydrophobicContact CB-CD2 3.73Å; L27-Y30 HydrophobicContact CB-CE2 4.26Å; L27-Y30 HydrophobicContact CD2-CD2 4.11Å; L27-Y30 HydrophobicContact CD2-CE2 3.79Å; L27-Y30 PolarHBondContact O-N 3.1Å |
| 28 | P | 48.9 | Very low | 60 | Low | 118 Ų | 118 | 81.4 Ų | 81.4 | 77% | 0.766 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -1.3 | -173.4 | 24.1 | -34.8 | 0 | 0 | 0 | 115.1 | ||
| 29 | V | 52.3 | Low | 59.4 | Low | 117 Ų | 117 | 80.4 Ų | 80.4 | 71% | 0.709 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -19.8 | 172.1 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | L27 | L27-V29 PolarHBondContact O-N 3.36Š|
| 30 | Y | 52.8 | Low | 58.5 | Low | 37 Ų | 37 | 80 Ų | 80 | 15% | 0.145 | 40% | 0.403 | C | S | . | . | trans | -112.1 | 46.4 | -172.1 | -63.1 | -57.1 | 0 | 0 | 0 | 112.8 | L27 K32 A95 A98 | L27-Y30 HydrophobicContact CB-CD2 3.73Å; L27-Y30 HydrophobicContact CB-CE2 4.26Å; L27-Y30 HydrophobicContact CD2-CD2 4.11Å; L27-Y30 HydrophobicContact CD2-CE2 3.79Å; L27-Y30 PolarHBondContact O-N 3.1Å; Y30-K32 PolarHBondContact O-N 3.38Å; Y30-A95 HydrophobicContact CD1-CB 4.41Å; Y30-A95 HydrophobicContact CE1-CB 3.34Å; Y30-A98 HydrophobicContact CD1-CB 4.07Å; Y30-A98 HydrophobicContact CD2-CB 3.8Å; Y30-A98 HydrophobicContact CE1-CB 3.93Å; Y30-A98 HydrophobicContact CE2-CB 3.67Å; Y30-A98 HydrophobicContact CG-CB 4.03Å; Y30-A98 PolarHBondContact OH-N 2.78Å | ||
| 31 | D | 46.4 | Very low | 57.6 | Low | 116 Ų | 116 | 78.6 Ų | 78.6 | 62% | 0.62 | 40% | 0.397 | S | S | * | . | trans | -62 | 58.9 | -179.3 | -144.3 | -54.9 | 0 | 0 | 0 | 113.3 | ||||
| 32 | K | 52.3 | Low | 56.9 | Low | 117 Ų | 117 | 80.3 Ų | 80.3 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | trans | -149.6 | 93.1 | -165.9 | -65.8 | -67.4 | -176.4 | -178 | 0 | 106.4 | Y30 W34 P35 V93 | Y30-K32 PolarHBondContact O-N 3.38Å; K32-W34 PolarHBondContact O-N 3.07Å; K32-P35 WeakPolarHBondContact O-CD 3.34Å; K32-V93 HydrophobicContact CD-CG1 4.42Å; K32-V93 WeakPolarHBondContact CG-O 3.34Å | ||
| 33 | Y | 53.4 | Low | 56.2 | Low | 170 Ų | 170 | 80 Ų | 80 | 67% | 0.667 | 40% | 0.402 | S | S | * | . | trans | -69.2 | 8.6 | 177.5 | -55.3 | -90 | 0 | 0 | 0 | 114 | L36 | Y33-L36 WeakPolarHBondContact O-CB 3.22Å; Y33-L36 PolarHBondContact O-N 2.88Å | ||
| 34 | W | 52.2 | Low | 55.5 | Low | 144 Ų | 144 | 78.7 Ų | 78.7 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -63.5 | -32.3 | -178.9 | -116.6 | 44.4 | 0 | 0 | 0 | 116.3 | K32 L36 F37 F88 V93 | K32-W34 PolarHBondContact O-N 3.07Å; W34-L36 PolarHBondContact O-N 3.13Å; W34-L36 VanDerWaalsContact O-N 3.14Å; W34-F37 PolarHBondContact O-N 3.47Å; W34-F88 HydrophobicContact CB-CD2 4.42Å; W34-F88 HydrophobicContact CB-CE2 4.06Å; W34-F88 HydrophobicContact CD2-CD2 4.37Å; W34-F88 HydrophobicContact CD2-CE1 4.1Å; W34-F88 AromaticContact CD2-CE2 3.72Å; W34-F88 HydrophobicContact CD2-CE2 3.72Å; W34-F88 AromaticContact CD2-CZ 3.52Å; W34-F88 HydrophobicContact CD2-CZ 3.52Å; W34-F88 AromaticContact CE3-CD1 3.35Å; W34-F88 HydrophobicContact CE3-CD1 3.35Å; W34-F88 AromaticContact CE3-CD2 3.6Å; W34-F88 HydrophobicContact CE3-CD2 3.6Å; W34-F88 AromaticContact CE3-CE1 3.07Å; W34-F88 HydrophobicContact CE3-CE1 3.07Å; W34-F88 AromaticContact CE3-CE2 3.23Å; W34-F88 HydrophobicContact CE3-CE2 3.23Å; W34-F88 AromaticContact CE3-CG 3.62Å; W34-F88 HydrophobicContact CE3-CG 3.62Å; W34-F88 AromaticContact CE3-CZ 2.91Å; W34-F88 HydrophobicContact CE3-CZ 2.91Å; W34-F88 HydrophobicContact CG-CE2 4.18Å; W34-F88 HydrophobicContact CG-CZ 4.38Å; W34-F88 HydrophobicContact CH2-CD1 4.21Å; W34-F88 AromaticContact CH2-CE1 3.41Å; W34-F88 HydrophobicContact CH2-CE1 3.41Å; W34-F88 VanDerWaalsContact CH2-CE1 3.41Å; W34-F88 AromaticContact CH2-CZ 3.62Å; W34-F88 HydrophobicContact CH2-CZ 3.62Å; W34-F88 HydrophobicContact CZ2-CE1 4.38Å; W34-F88 HydrophobicContact CZ2-CZ 4.16Å; W34-F88 AromaticContact CZ3-CD1 3.15Å; W34-F88 HydrophobicContact CZ3-CD1 3.15Å; W34-F88 HydrophobicContact CZ3-CD2 4.26Å; W34-F88 AromaticContact CZ3-CE1 2.71Å; W34-F88 HydrophobicContact CZ3-CE1 2.71Å; W34-F88 AromaticContact CZ3-CE2 3.87Å; W34-F88 HydrophobicContact CZ3-CE2 3.87Å; W34-F88 AromaticContact CZ3-CG 3.93Å; W34-F88 HydrophobicContact CZ3-CG 3.93Å; W34-F88 AromaticContact CZ3-CZ 3.06Å; W34-F88 HydrophobicContact CZ3-CZ 3.06Å; W34-V93 HydrophobicContact CB-CG1 4.2Å; W34-V93 HydrophobicContact CD2-CG1 4.27Å; W34-V93 HydrophobicContact CE3-CB 4.44Å; W34-V93 HydrophobicContact CE3-CG1 3.84Å; W34-V93 HydrophobicContact CE3-CG2 4.48Å; W34-V93 HydrophobicContact CG-CG1 4.35Å |
| 35 | P | 54.9 | Low | 55.1 | Low | 3 Ų | 3 | 80.2 Ų | 80.2 | 2% | 0.019 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -65.9 | -14.3 | 175.1 | -4 | 14.4 | 0 | 0 | 0 | 113.1 | C25 K32 F37 L38 I94 | C25-P35 VanDerWaalsContact SG-CB 3.56Å; C25-P35 VanDerWaalsContact SG-CG 3.53Å; K32-P35 WeakPolarHBondContact O-CD 3.34Å; P35-F37 PolarHBondContact O-N 3.43Å; P35-L38 VanDerWaalsContact O-CB 3.31Å; P35-L38 WeakPolarHBondContact O-CB 3.5Å; P35-L38 PolarHBondContact O-N 3.38Å; P35-I94 HydrophobicContact CB-CD1 4.33Å; P35-I94 HydrophobicContact CG-CD1 3.72Å; P35-I94 HydrophobicContact CG-CG1 4.47Å |
| 36 | L | 56.8 | Low | 54.6 | Low | 86 Ų | 86 | 82.3 Ų | 82.3 | 45% | 0.45 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -65.6 | -16.6 | 176.9 | -135.9 | 157 | 0 | 0 | 0 | 112.1 | Y33 W34 L38 L39 | Y33-L36 WeakPolarHBondContact O-CB 3.22Å; Y33-L36 PolarHBondContact O-N 2.88Å; W34-L36 PolarHBondContact O-N 3.13Å; W34-L36 VanDerWaalsContact O-N 3.14Å; L36-L38 PolarHBondContact O-N 3.38Å; L36-L39 HydrophobicContact CD2-CB 4.16Å; L36-L39 HydrophobicContact CD2-CD2 3.99Å; L36-L39 WeakPolarHBondContact O-CB 3.32Å; L36-L39 PolarHBondContact O-N 3.14Å |
| 37 | F | 58.3 | Low | 54.4 | Low | 114 Ų | 114 | 82.3 Ų | 82.3 | 50% | 0.5 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.6 | -25.1 | 170.1 | -156.3 | -95.7 | 0 | 0 | 0 | 112.8 | W34 P35 L39 F40 F41 L84 | W34-F37 PolarHBondContact O-N 3.47Å; P35-F37 PolarHBondContact O-N 3.43Å; F37-L39 PolarHBondContact O-N 3.02Å; F37-F40 VanDerWaalsContact O-CB 3.27Å; F37-F40 WeakPolarHBondContact O-CB 3.29Å; F37-F40 PolarHBondContact O-N 3.1Å; F37-F40 VanDerWaalsContact O-N 3.13Å; F37-F41 HydrophobicContact CD1-CD2 4.13Å; F37-F41 AromaticContact CD1-CE2 3.78Å; F37-F41 HydrophobicContact CD1-CE2 3.78Å; F37-F41 HydrophobicContact CE1-CD2 4.32Å; F37-F41 AromaticContact CE1-CE2 3.66Å; F37-F41 HydrophobicContact CE1-CE2 3.66Å; F37-F41 HydrophobicContact CE1-CZ 4.48Å; F37-F41 PolarHBondContact O-N 3.3Å; F37-L84 HydrophobicContact CD1-CD1 4.2Å |
| 38 | L | 58.7 | Low | 54 | Low | 3 Ų | 3 | 78.7 Ų | 78.7 | 2% | 0.016 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.5 | -27.6 | 171.8 | -75 | 154 | 0 | 0 | 0 | 112.1 | L21 P35 L36 F40 F41 Y42 A81 V102 | L21-L38 HydrophobicContact CD1-CD1 4.27Å; P35-L38 VanDerWaalsContact O-CB 3.31Å; P35-L38 WeakPolarHBondContact O-CB 3.5Å; P35-L38 PolarHBondContact O-N 3.38Å; L36-L38 PolarHBondContact O-N 3.38Å; L38-F40 PolarHBondContact O-N 3.23Å; L38-F41 PolarHBondContact O-N 2.83Å; L38-Y42 WeakPolarHBondContact O-CD2 3.38Å; L38-Y42 PolarHBondContact O-N 2.96Å; L38-A81 HydrophobicContact CD2-CB 4.22Å; L38-V102 HydrophobicContact CD1-CG1 3.55Å |
| 39 | L | 60.5 | Low | 54.2 | Low | 62 Ų | 62 | 78.7 Ų | 78.7 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.7 | -34 | 172.9 | -156.4 | 90.3 | 0 | 0 | 0 | 110.9 | L36 F37 Y42 I43 | L36-L39 HydrophobicContact CD2-CB 4.16Å; L36-L39 HydrophobicContact CD2-CD2 3.99Å; L36-L39 WeakPolarHBondContact O-CB 3.32Å; L36-L39 PolarHBondContact O-N 3.14Å; F37-L39 PolarHBondContact O-N 3.02Å; L39-Y42 WeakPolarHBondContact O-CB 3.35Å; L39-Y42 PolarHBondContact O-N 3.34Å; L39-I43 HydrophobicContact CD2-CD1 4.37Å; L39-I43 VanDerWaalsContact O-CG1 3.32Å; L39-I43 WeakPolarHBondContact O-CG1 3.37Å; L39-I43 PolarHBondContact O-N 3.49Å |
| 40 | F | 59.4 | Low | 54.2 | Low | 113 Ų | 113 | 75 Ų | 75 | 50% | 0.496 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 174.1 | -170.1 | -95.4 | 0 | 0 | 0 | 111.3 | F37 L38 Y42 I43 L44 | F37-F40 VanDerWaalsContact O-CB 3.27Å; F37-F40 WeakPolarHBondContact O-CB 3.29Å; F37-F40 PolarHBondContact O-N 3.1Å; F37-F40 VanDerWaalsContact O-N 3.13Å; L38-F40 PolarHBondContact O-N 3.23Å; F40-Y42 VanDerWaalsContact C-N 3.28Å; F40-Y42 PolarHBondContact O-N 2.97Å; F40-I43 CarbonylContact O-C 3.56Å; F40-I43 PolarHBondContact O-N 3.5Å; F40-L44 HydrophobicContact CD1-CD1 4.27Å; F40-L44 HydrophobicContact CE1-CD1 3.73Å; F40-L44 HydrophobicContact CE1-CD2 4.28Å; F40-L44 HydrophobicContact CZ-CD1 4Å; F40-L44 WeakPolarHBondContact O-CB 3.47Å; F40-L44 PolarHBondContact O-N 2.89Å |
| 41 | F | 55.3 | Low | 54.1 | Low | 40 Ų | 40 | 76.1 Ų | 76.1 | 18% | 0.175 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.9 | -32 | 171.8 | -80.1 | -79.9 | 0 | 0 | 0 | 112.7 | F37 L38 L44 A45 I77 L84 | F37-F41 HydrophobicContact CD1-CD2 4.13Å; F37-F41 AromaticContact CD1-CE2 3.78Å; F37-F41 HydrophobicContact CD1-CE2 3.78Å; F37-F41 HydrophobicContact CE1-CD2 4.32Å; F37-F41 AromaticContact CE1-CE2 3.66Å; F37-F41 HydrophobicContact CE1-CE2 3.66Å; F37-F41 HydrophobicContact CE1-CZ 4.48Å; F37-F41 PolarHBondContact O-N 3.3Å; L38-F41 PolarHBondContact O-N 2.83Å; F41-L44 CarbonylContact O-C 3.49Å; F41-L44 PolarHBondContact O-N 3.22Å; F41-A45 PolarHBondContact O-N 2.85Å; F41-I77 HydrophobicContact CD1-CG2 4.29Å; F41-L84 HydrophobicContact CD2-CD1 4.24Å; F41-L84 HydrophobicContact CE2-CD1 3.5Å; F41-L84 HydrophobicContact CZ-CD1 4.21Å |
| 42 | Y | 55.7 | Low | 54 | Low | 49 Ų | 49 | 73.4 Ų | 73.4 | 19% | 0.192 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69 | -36.8 | 171.8 | -97.4 | -68.4 | 0 | 0 | 0 | 113.6 | L38 L39 F40 L44 A45 P46 I109 | L38-Y42 WeakPolarHBondContact O-CD2 3.38Å; L38-Y42 PolarHBondContact O-N 2.96Å; L39-Y42 WeakPolarHBondContact O-CB 3.35Å; L39-Y42 PolarHBondContact O-N 3.34Å; F40-Y42 VanDerWaalsContact C-N 3.28Å; F40-Y42 PolarHBondContact O-N 2.97Å; Y42-L44 VanDerWaalsContact C-N 3.27Å; Y42-A45 WeakPolarHBondContact O-CB 3.42Å; Y42-A45 PolarHBondContact O-N 3.35Å; Y42-P46 WeakPolarHBondContact O-CD 3.08Å; Y42-I109 HydrophobicContact CE1-CB 4.24Å; Y42-I109 HydrophobicContact CE1-CD1 3.97Å; Y42-I109 HydrophobicContact CE1-CG2 3.33Å; Y42-I109 HydrophobicContact CE2-CD1 3.85Å; Y42-I109 WeakPolarHBondContact OH-CB 3.32Å; Y42-I109 WeakPolarHBondContact OH-CD1 3.42Å; Y42-I109 WeakPolarHBondContact OH-CG2 3.05Å |
| 43 | I | 55.5 | Low | 53.8 | Low | 109 Ų | 109 | 76.1 Ų | 76.1 | 56% | 0.559 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -73 | -24.3 | 172.4 | -68 | 165.2 | 0 | 0 | 0 | 111 | L39 F40 P46 | L39-I43 HydrophobicContact CD2-CD1 4.37Å; L39-I43 VanDerWaalsContact O-CG1 3.32Å; L39-I43 WeakPolarHBondContact O-CG1 3.37Å; L39-I43 PolarHBondContact O-N 3.49Å; F40-I43 CarbonylContact O-C 3.56Å; F40-I43 PolarHBondContact O-N 3.5Å; I43-P46 WeakPolarHBondContact O-CD 3.49Å; I43-P46 WeakPolarHBondContact O-CG 3.39Å |
| 44 | L | 53.6 | Low | 53.6 | Low | 54 Ų | 54 | 78.2 Ų | 78.2 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -81.6 | -22.9 | 170.4 | -117.1 | 67.3 | 0 | 0 | 0 | 113.3 | F40 F41 Y42 P46 I47 P48 | F40-L44 HydrophobicContact CD1-CD1 4.27Å; F40-L44 HydrophobicContact CE1-CD1 3.73Å; F40-L44 HydrophobicContact CE1-CD2 4.28Å; F40-L44 HydrophobicContact CZ-CD1 4Å; F40-L44 WeakPolarHBondContact O-CB 3.47Å; F40-L44 PolarHBondContact O-N 2.89Å; F41-L44 CarbonylContact O-C 3.49Å; F41-L44 PolarHBondContact O-N 3.22Å; Y42-L44 VanDerWaalsContact C-N 3.27Å; L44-P46 VanDerWaalsContact C-CD 3.48Å; L44-P46 VanDerWaalsContact C-N 3.34Å; L44-I47 HydrophobicContact CB-CD1 4.42Å; L44-I47 HydrophobicContact CD1-CD1 3.81Å; L44-I47 HydrophobicContact CG-CD1 3.56Å; L44-I47 HydrophobicContact CG-CG1 4.33Å; L44-I47 WeakPolarHBondContact O-CB 3.49Å; L44-I47 VanDerWaalsContact O-CG1 3.26Å; L44-I47 WeakPolarHBondContact O-CG1 3.48Å; L44-I47 PolarHBondContact O-N 3.4Å; L44-P48 WeakPolarHBondContact O-CD 2.98Å |
| 45 | A | 55.7 | Low | 53.4 | Low | 34 Ų | 34 | 73 Ų | 73 | 28% | 0.281 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | F41 Y42 I47 P48 | F41-A45 PolarHBondContact O-N 2.85Å; Y42-A45 WeakPolarHBondContact O-CB 3.42Å; Y42-A45 PolarHBondContact O-N 3.35Å; A45-I47 PolarHBondContact O-N 3.04Å; A45-P48 WeakPolarHBondContact O-CD 3.04Å; A45-P48 WeakPolarHBondContact O-CG 3.41Å |
| 46 | P | 51.2 | Low | 53 | Low | 75 Ų | 75 | 77.4 Ų | 77.4 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.9 | -8.8 | 168.8 | 25 | -36.2 | 0 | 0 | 0 | 114.5 | Y42 I43 L44 Y49 G50 | Y42-P46 WeakPolarHBondContact O-CD 3.08Å; I43-P46 WeakPolarHBondContact O-CD 3.49Å; I43-P46 WeakPolarHBondContact O-CG 3.39Å; L44-P46 VanDerWaalsContact C-CD 3.48Å; L44-P46 VanDerWaalsContact C-N 3.34Å; P46-Y49 PolarHBondContact O-N 2.95Å; P46-G50 PolarHBondContact O-N 3.29Å |
| 47 | I | 53.6 | Low | 52.5 | Low | 75 Ų | 75 | 80 Ų | 80 | 39% | 0.385 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.6 | -49.4 | 176.6 | -61.9 | -169.7 | 0 | 0 | 0 | 112 | L44 A45 Y49 G50 I51 | L44-I47 HydrophobicContact CB-CD1 4.42Å; L44-I47 HydrophobicContact CD1-CD1 3.81Å; L44-I47 HydrophobicContact CG-CD1 3.56Å; L44-I47 HydrophobicContact CG-CG1 4.33Å; L44-I47 WeakPolarHBondContact O-CB 3.49Å; L44-I47 VanDerWaalsContact O-CG1 3.26Å; L44-I47 WeakPolarHBondContact O-CG1 3.48Å; L44-I47 PolarHBondContact O-N 3.4Å; A45-I47 PolarHBondContact O-N 3.04Å; I47-Y49 VanDerWaalsContact C-N 3.26Å; I47-Y49 PolarHBondContact O-N 2.84Å; I47-G50 PolarHBondContact O-N 3.46Å; I47-I51 HydrophobicContact CG2-CD1 3.62Å; I47-I51 HydrophobicContact CG2-CG1 4.41Å; I47-I51 WeakPolarHBondContact O-CB 3.36Å; I47-I51 WeakPolarHBondContact O-CD1 3.31Å; I47-I51 WeakPolarHBondContact O-CG1 3.33Å; I47-I51 PolarHBondContact O-N 3.23Å |
| 48 | P | 47.4 | Very low | 51.8 | Low | 16 Ų | 16 | 80.1 Ų | 80.1 | 10% | 0.104 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.7 | -31.6 | 173.5 | 21.3 | -32.6 | 0 | 0 | 0 | 113 | L44 A45 I51 S52 T74 | L44-P48 WeakPolarHBondContact O-CD 2.98Å; A45-P48 WeakPolarHBondContact O-CD 3.04Å; A45-P48 WeakPolarHBondContact O-CG 3.41Å; P48-I51 PolarHBondContact O-N 3.12Å; P48-S52 WeakPolarHBondContact O-CB 2.98Å; P48-S52 PolarHBondContact O-N 3.01Å; P48-S52 PolarHBondContact O-OG 3.3Å; P48-T74 HydrophobicContact CG-CG2 4.43Å |
| 49 | Y | 51.3 | Low | 51.2 | Low | 119 Ų | 119 | 85 Ų | 85 | 47% | 0.467 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -71.8 | -34.7 | 177.5 | -160.7 | -94.1 | 0 | 0 | 0 | 112.9 | P46 I47 S52 R53 F116 | P46-Y49 PolarHBondContact O-N 2.95Å; I47-Y49 VanDerWaalsContact C-N 3.26Å; I47-Y49 PolarHBondContact O-N 2.84Å; Y49-S52 WeakPolarHBondContact CA-OG 3.26Å; Y49-S52 PolarHBondContact O-OG 2.9Å; Y49-R53 WeakPolarHBondContact O-CB 3.01Å; Y49-R53 PolarHBondContact O-N 3.44Å; Y49-F116 HydrophobicContact CE2-CD1 4.36Å; Y49-F116 AromaticContact CE2-CE1 3.66Å; Y49-F116 HydrophobicContact CE2-CE1 3.66Å; Y49-F116 HydrophobicContact CE2-CZ 4.27Å; Y49-F116 AromaticContact CZ-CE1 3.99Å; Y49-F116 WeakPolarHBondContact OH-CE1 3.03Å; Y49-F116 VanDerWaalsContact OH-CZ 3.29Å; Y49-F116 WeakPolarHBondContact OH-CZ 3.29Å |
| 50 | G | 53.2 | Low | 50.9 | Low | 38 Ų | 38 | 88.9 Ų | 88.9 | 39% | 0.392 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72.3 | -33.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P46 I47 R54 | P46-G50 PolarHBondContact O-N 3.29Å; I47-G50 PolarHBondContact O-N 3.46Å; G50-R54 WeakPolarHBondContact O-CG 3.03Å; G50-R54 PolarHBondContact O-N 3.11Å |
| 51 | I | 50.5 | Low | 50.5 | Low | 61 Ų | 61 | 88.6 Ų | 88.6 | 31% | 0.313 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.3 | -45.5 | 177 | -69.3 | 168.9 | 0 | 0 | 0 | 110.3 | I47 P48 R53 R54 I55 | I47-I51 HydrophobicContact CG2-CD1 3.62Å; I47-I51 HydrophobicContact CG2-CG1 4.41Å; I47-I51 WeakPolarHBondContact O-CB 3.36Å; I47-I51 WeakPolarHBondContact O-CD1 3.31Å; I47-I51 WeakPolarHBondContact O-CG1 3.33Å; I47-I51 PolarHBondContact O-N 3.23Å; P48-I51 PolarHBondContact O-N 3.12Å; I51-R53 PolarHBondContact O-N 3.44Å; I51-R54 PolarHBondContact O-N 2.94Å; I51-R54 VanDerWaalsContact O-N 3.14Å; I51-I55 HydrophobicContact CG2-CD1 3.3Å; I51-I55 HydrophobicContact CG2-CG1 4.27Å; I51-I55 WeakPolarHBondContact O-CB 3.35Å; I51-I55 VanDerWaalsContact O-CD1 3.29Å; I51-I55 WeakPolarHBondContact O-CD1 3.35Å; I51-I55 WeakPolarHBondContact O-CG1 3.34Å; I51-I55 PolarHBondContact O-N 3.45Å; I51-I55 VanDerWaalsContact O-N 3.1Å |
| 52 | S | 45 | Very low | 50.2 | Low | 60 Ų | 60 | 90 Ų | 90 | 42% | 0.42 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.6 | -34.2 | 175.6 | 58.8 | 0 | 0 | 0 | 0 | 113 | P48 Y49 | P48-S52 WeakPolarHBondContact O-CB 2.98Å; P48-S52 PolarHBondContact O-N 3.01Å; P48-S52 PolarHBondContact O-OG 3.3Å; Y49-S52 WeakPolarHBondContact CA-OG 3.26Å; Y49-S52 PolarHBondContact O-OG 2.9Å |
| 53 | R | 47.6 | Very low | 50.3 | Low | 174 Ų | 174 | 89.5 Ų | 89.5 | 66% | 0.657 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -80.1 | -17.5 | -179.9 | -157.3 | 177.7 | 140.1 | 116.9 | 3.4 | 113.9 | Y49 I51 | Y49-R53 WeakPolarHBondContact O-CB 3.01Å; Y49-R53 PolarHBondContact O-N 3.44Å; I51-R53 PolarHBondContact O-N 3.44Å |
| 54 | R | 48.4 | Very low | 50.4 | Low | 213 Ų | 213 | 89.3 Ų | 89.3 | 80% | 0.804 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -93.3 | -18.1 | 173.3 | -74.8 | -81.7 | -170 | 164.6 | 1 | 113 | G50 I51 | G50-R54 WeakPolarHBondContact O-CG 3.03Å; G50-R54 PolarHBondContact O-N 3.11Å; I51-R54 PolarHBondContact O-N 2.94Å; I51-R54 VanDerWaalsContact O-N 3.14Å |
| 55 | I | 48.3 | Very low | 50.7 | Low | 36 Ų | 36 | 89.7 Ų | 89.7 | 19% | 0.185 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -88.1 | -22.6 | -175.9 | -72.2 | 165.3 | 0 | 0 | 0 | 113.1 | I51 D57 D58 C66 | I51-I55 HydrophobicContact CG2-CD1 3.3Å; I51-I55 HydrophobicContact CG2-CG1 4.27Å; I51-I55 WeakPolarHBondContact O-CB 3.35Å; I51-I55 VanDerWaalsContact O-CD1 3.29Å; I51-I55 WeakPolarHBondContact O-CD1 3.35Å; I51-I55 WeakPolarHBondContact O-CG1 3.34Å; I51-I55 PolarHBondContact O-N 3.45Å; I51-I55 VanDerWaalsContact O-N 3.1Å; I55-D57 PolarHBondContact O-N 3.46Å; I55-D58 PolarHBondContact O-N 2.88Å; I55-C66 HydrophobicContact CD1-CB 3.84Å; I55-C66 WeakPolarHBondContact CD1-SG 3.41Å |
| 56 | V | 47.5 | Very low | 50.8 | Low | 94 Ų | 94 | 90.2 Ų | 90.2 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.3 | 175.3 | 165.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 57 | D | 46.2 | Very low | 51.1 | Low | 142 Ų | 142 | 92.6 Ų | 92.6 | 76% | 0.759 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -13.7 | -177.7 | -86.9 | -51.7 | 0 | 0 | 0 | 115.3 | I55 | I55-D57 PolarHBondContact O-N 3.46Š|
| 58 | D | 43.4 | Very low | 51.7 | Low | 115 Ų | 115 | 95 Ų | 95 | 62% | 0.615 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -141.7 | 98.5 | -173.2 | -146.1 | -69.7 | 0 | 0 | 0 | 115.2 | I55 | I55-D58 PolarHBondContact O-N 2.88Š|
| 59 | T | 45.3 | Very low | 52.6 | Low | 107 Ų | 107 | 99.8 Ų | 99.8 | 66% | 0.656 | 54% | 0.538 | S | S | * | . | trans | 67.8 | 128.8 | 141.9 | -41.7 | 0 | 0 | 0 | 0 | 121.2 | S61 | T59-S61 PolarHBondContact O-N 2.89Š| ||
| 60 | D | 54.7 | Low | 53.1 | Low | 143 Ų | 143 | 95.1 Ų | 95.1 | 77% | 0.765 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -12.6 | -160.9 | -148.4 | -114.3 | 0 | 0 | 0 | 119.1 | ||
| 61 | S | 50.8 | Low | 53.8 | Low | 106 Ų | 106 | 97.7 Ų | 97.7 | 74% | 0.741 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -28.1 | -176.2 | -63.8 | 0 | 0 | 0 | 0 | 114.7 | T59 | T59-S61 PolarHBondContact O-N 2.89Š|
| 62 | A | 50.2 | Low | 54.9 | Low | 70 Ų | 70 | 102.1 Ų | 102.1 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -80.3 | -25.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N64 A65 C66 | A62-N64 PolarHBondContact O-N 2.71Å; A62-A65 PolarHBondContact O-N 3.01Å; A62-C66 VanDerWaalsContact O-CB 3.31Å; A62-C66 WeakPolarHBondContact O-CB 3.41Å; A62-C66 PolarHBondContact O-N 3.18Å |
| 63 | S | 56.2 | Low | 56.1 | Low | 39 Ų | 39 | 103.3 Ų | 103.3 | 27% | 0.273 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.4 | -39.3 | -179.7 | -170.9 | 0 | 0 | 0 | 0 | 113.2 | K67 | S63-K67 WeakPolarHBondContact O-CB 3.2Å; S63-K67 PolarHBondContact O-N 3.24Å |
| 64 | N | 57.8 | Low | 57 | Low | 104 Ų | 104 | 97.5 Ų | 97.5 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.5 | -46.3 | 179.8 | -73.6 | -36.9 | 0 | 0 | 0 | 112.8 | A62 K67 E68 | A62-N64 PolarHBondContact O-N 2.71Å; N64-K67 PolarHBondContact O-N 3Å; N64-E68 VanDerWaalsContact O-CG 3.3Å; N64-E68 WeakPolarHBondContact O-CG 3.28Å; N64-E68 PolarHBondContact O-N 2.92Å |
| 65 | A | 59.8 | Low | 58.2 | Low | 62 Ų | 62 | 90.8 Ų | 90.8 | 51% | 0.512 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A62 L69 | A62-A65 PolarHBondContact O-N 3.01Å; A65-L69 WeakPolarHBondContact O-CB 3.22Å; A65-L69 VanDerWaalsContact O-CG 3.23Å; A65-L69 WeakPolarHBondContact O-CG 3.49Å; A65-L69 PolarHBondContact O-N 3.37Å |
| 66 | C | 58.6 | Low | 59.6 | Low | 46 Ų | 46 | 90.6 Ų | 90.6 | 31% | 0.311 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.7 | -34 | 178.7 | -150.1 | 0 | 0 | 0 | 0 | 112.4 | I55 A62 L69 A70 | I55-C66 HydrophobicContact CD1-CB 3.84Å; I55-C66 WeakPolarHBondContact CD1-SG 3.41Å; A62-C66 VanDerWaalsContact O-CB 3.31Å; A62-C66 WeakPolarHBondContact O-CB 3.41Å; A62-C66 PolarHBondContact O-N 3.18Å; C66-L69 PolarHBondContact O-N 3.35Å; C66-A70 VanDerWaalsContact O-CB 3.29Å; C66-A70 WeakPolarHBondContact O-CB 3.42Å; C66-A70 PolarHBondContact O-N 3.23Å |
| 67 | K | 57.8 | Low | 60.8 | Low | 124 Ų | 124 | 87.2 Ų | 87.2 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 172.8 | -178.6 | 178.7 | 176.9 | -178.2 | 0 | 112 | S63 N64 A70 L71 | S63-K67 WeakPolarHBondContact O-CB 3.2Å; S63-K67 PolarHBondContact O-N 3.24Å; N64-K67 PolarHBondContact O-N 3Å; K67-A70 PolarHBondContact O-N 2.98Å; K67-L71 PolarHBondContact O-N 2.89Å |
| 68 | E | 65.2 | Low | 62.3 | Low | 127 Ų | 127 | 82.5 Ų | 82.5 | 59% | 0.593 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 174.1 | -70.9 | -62.1 | 139.3 | 0 | 0 | 111.3 | N64 A70 L71 F72 | N64-E68 VanDerWaalsContact O-CG 3.3Å; N64-E68 WeakPolarHBondContact O-CG 3.28Å; N64-E68 PolarHBondContact O-N 2.92Å; E68-A70 PolarHBondContact O-N 3.01Å; E68-L71 PolarHBondContact O-N 3.4Å; E68-F72 WeakPolarHBondContact O-CB 3.23Å; E68-F72 PolarHBondContact O-N 3.41Å |
| 69 | L | 65.9 | Low | 64.1 | Low | 115 Ų | 115 | 82 Ų | 82 | 60% | 0.602 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 174.1 | -74.7 | 172.8 | 0 | 0 | 0 | 112.4 | A65 C66 F72 L73 | A65-L69 WeakPolarHBondContact O-CB 3.22Å; A65-L69 VanDerWaalsContact O-CG 3.23Å; A65-L69 WeakPolarHBondContact O-CG 3.49Å; A65-L69 PolarHBondContact O-N 3.37Å; C66-L69 PolarHBondContact O-N 3.35Å; L69-F72 PolarHBondContact O-N 3.5Å; L69-L73 WeakPolarHBondContact O-CB 3.49Å; L69-L73 PolarHBondContact O-N 3.36Å |
| 70 | A | 62.8 | Low | 65.7 | Low | 21 Ų | 21 | 79.2 Ų | 79.2 | 17% | 0.174 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | C66 K67 E68 F72 L73 T74 | C66-A70 VanDerWaalsContact O-CB 3.29Å; C66-A70 WeakPolarHBondContact O-CB 3.42Å; C66-A70 PolarHBondContact O-N 3.23Å; K67-A70 PolarHBondContact O-N 2.98Å; E68-A70 PolarHBondContact O-N 3.01Å; A70-F72 VanDerWaalsContact C-N 3.34Å; A70-F72 PolarHBondContact O-N 3.35Å; A70-L73 PolarHBondContact O-N 2.7Å; A70-T74 WeakPolarHBondContact O-CB 3.42Å; A70-T74 PolarHBondContact O-N 3.46Å; A70-T74 PolarHBondContact O-OG1 3.16Å |
| 71 | L | 68.6 | Low | 66.7 | Low | 93 Ų | 93 | 72.7 Ų | 72.7 | 49% | 0.487 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 173.9 | -91.1 | 163.7 | 0 | 0 | 0 | 111.8 | K67 E68 T74 T75 | K67-L71 PolarHBondContact O-N 2.89Å; E68-L71 PolarHBondContact O-N 3.4Å; L71-T74 PolarHBondContact O-N 3.35Å; L71-T75 WeakPolarHBondContact O-CB 3.08Å; L71-T75 WeakPolarHBondContact O-CG2 3.05Å; L71-T75 PolarHBondContact O-N 3.07Å; L71-T75 PolarHBondContact O-OG1 3.4Å |
| 72 | F | 72.6 | Confident | 68 | Low | 154 Ų | 154 | 70.2 Ų | 70.2 | 68% | 0.675 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.2 | -43.2 | 175.9 | -175.2 | -100.4 | 0 | 0 | 0 | 112.1 | E68 L69 A70 T75 G76 | E68-F72 WeakPolarHBondContact O-CB 3.23Å; E68-F72 PolarHBondContact O-N 3.41Å; L69-F72 PolarHBondContact O-N 3.5Å; A70-F72 VanDerWaalsContact C-N 3.34Å; A70-F72 PolarHBondContact O-N 3.35Å; F72-T75 WeakPolarHBondContact CA-OG1 3.3Å; F72-T75 PolarHBondContact O-OG1 3.47Å; F72-G76 PolarHBondContact O-N 2.91Å |
| 73 | L | 70.1 | Confident | 69.4 | Low | 84 Ų | 84 | 68 Ų | 68 | 44% | 0.44 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.1 | -43.4 | 177.7 | -152.1 | 96 | 0 | 0 | 0 | 111.2 | L69 A70 G76 I77 | L69-L73 WeakPolarHBondContact O-CB 3.49Å; L69-L73 PolarHBondContact O-N 3.36Å; A70-L73 PolarHBondContact O-N 2.7Å; L73-G76 PolarHBondContact O-N 2.89Å; L73-I77 HydrophobicContact CD2-CD1 4.02Å; L73-I77 HydrophobicContact CG-CD1 4.28Å; L73-I77 WeakPolarHBondContact O-CB 3.35Å; L73-I77 WeakPolarHBondContact O-CD1 3.06Å; L73-I77 WeakPolarHBondContact O-CG1 3.26Å; L73-I77 PolarHBondContact O-N 3.07Å |
| 74 | T | 67.5 | Low | 70.2 | Confident | 53 Ų | 53 | 67.6 Ų | 67.6 | 33% | 0.325 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 179.5 | -36.6 | 0 | 0 | 0 | 0 | 111.1 | P48 A70 L71 I77 V78 | P48-T74 HydrophobicContact CG-CG2 4.43Å; A70-T74 WeakPolarHBondContact O-CB 3.42Å; A70-T74 PolarHBondContact O-N 3.46Å; A70-T74 PolarHBondContact O-OG1 3.16Å; L71-T74 PolarHBondContact O-N 3.35Å; T74-I77 PolarHBondContact O-N 2.97Å; T74-V78 WeakPolarHBondContact O-CG2 3.27Å; T74-V78 PolarHBondContact O-N 3.49Å |
| 75 | T | 73.8 | Confident | 70.9 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 44% | 0.442 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66 | -40 | 176 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | L71 F72 I77 V78 V79 | L71-T75 WeakPolarHBondContact O-CB 3.08Å; L71-T75 WeakPolarHBondContact O-CG2 3.05Å; L71-T75 PolarHBondContact O-N 3.07Å; L71-T75 PolarHBondContact O-OG1 3.4Å; F72-T75 WeakPolarHBondContact CA-OG1 3.3Å; F72-T75 PolarHBondContact O-OG1 3.47Å; T75-I77 PolarHBondContact O-N 3.19Å; T75-V78 PolarHBondContact O-N 2.99Å; T75-V79 WeakPolarHBondContact O-CB 3.11Å; T75-V79 VanDerWaalsContact O-CG2 3.28Å; T75-V79 WeakPolarHBondContact O-CG2 3.15Å; T75-V79 PolarHBondContact O-N 3.2Å |
| 76 | G | 76.4 | Confident | 71.7 | Confident | 32 Ų | 32 | 64.4 Ų | 64.4 | 33% | 0.33 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F72 L73 S80 | F72-G76 PolarHBondContact O-N 2.91Å; L73-G76 PolarHBondContact O-N 2.89Å; G76-S80 VanDerWaalsContact O-CB 3.26Å; G76-S80 WeakPolarHBondContact O-CB 3.4Å; G76-S80 PolarHBondContact O-N 3.46Å; G76-S80 PolarHBondContact O-OG 3.4Å |
| 77 | I | 73.9 | Confident | 72.6 | Confident | 23 Ų | 23 | 67.5 Ų | 67.5 | 12% | 0.118 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 175.4 | -68.7 | 163.4 | 0 | 0 | 0 | 110.8 | F41 L73 T74 T75 S80 A81 | F41-I77 HydrophobicContact CD1-CG2 4.29Å; L73-I77 HydrophobicContact CD2-CD1 4.02Å; L73-I77 HydrophobicContact CG-CD1 4.28Å; L73-I77 WeakPolarHBondContact O-CB 3.35Å; L73-I77 WeakPolarHBondContact O-CD1 3.06Å; L73-I77 WeakPolarHBondContact O-CG1 3.26Å; L73-I77 PolarHBondContact O-N 3.07Å; T74-I77 PolarHBondContact O-N 2.97Å; T75-I77 PolarHBondContact O-N 3.19Å; I77-S80 PolarHBondContact O-N 3.27Å; I77-A81 WeakPolarHBondContact O-CB 3.26Å; I77-A81 PolarHBondContact O-N 3.25Å |
| 78 | V | 77.1 | Confident | 73.2 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 26% | 0.255 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60 | -51.8 | 177.5 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | T74 T75 S80 A81 F82 F110 | T74-V78 WeakPolarHBondContact O-CG2 3.27Å; T74-V78 PolarHBondContact O-N 3.49Å; T75-V78 PolarHBondContact O-N 2.99Å; V78-S80 VanDerWaalsContact C-N 3.28Å; V78-S80 PolarHBondContact O-N 2.98Å; V78-A81 PolarHBondContact O-N 2.91Å; V78-F82 HydrophobicContact CG1-CD2 4.03Å; V78-F82 HydrophobicContact CG1-CE2 3.89Å; V78-F82 VanDerWaalsContact O-CD2 3.23Å; V78-F82 WeakPolarHBondContact O-CD2 3.47Å; V78-F82 PolarHBondContact O-N 3.19Å; V78-F110 HydrophobicContact CB-CE1 3.88Å; V78-F110 HydrophobicContact CB-CZ 3.9Å; V78-F110 HydrophobicContact CG1-CD1 4.24Å; V78-F110 HydrophobicContact CG1-CD2 4.35Å; V78-F110 HydrophobicContact CG1-CE1 3.88Å; V78-F110 HydrophobicContact CG1-CE2 3.99Å; V78-F110 HydrophobicContact CG1-CG 4.49Å; V78-F110 HydrophobicContact CG1-CZ 3.76Å; V78-F110 HydrophobicContact CG2-CD1 3.85Å; V78-F110 HydrophobicContact CG2-CE1 3.26Å; V78-F110 HydrophobicContact CG2-CZ 3.82Å |
| 79 | V | 82.1 | Confident | 73.5 | Confident | 105 Ų | 105 | 56.6 Ų | 56.6 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.2 | -39.9 | 179.2 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | T75 F82 G83 | T75-V79 WeakPolarHBondContact O-CB 3.11Å; T75-V79 VanDerWaalsContact O-CG2 3.28Å; T75-V79 WeakPolarHBondContact O-CG2 3.15Å; T75-V79 PolarHBondContact O-N 3.2Å; V79-F82 PolarHBondContact O-N 3.37Å; V79-G83 PolarHBondContact O-N 2.92Å |
| 80 | S | 78.4 | Confident | 73.8 | Confident | 49 Ų | 49 | 60.9 Ų | 60.9 | 34% | 0.343 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 176.1 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | G76 I77 V78 F82 G83 L84 | G76-S80 VanDerWaalsContact O-CB 3.26Å; G76-S80 WeakPolarHBondContact O-CB 3.4Å; G76-S80 PolarHBondContact O-N 3.46Å; G76-S80 PolarHBondContact O-OG 3.4Å; I77-S80 PolarHBondContact O-N 3.27Å; V78-S80 VanDerWaalsContact C-N 3.28Å; V78-S80 PolarHBondContact O-N 2.98Å; S80-F82 PolarHBondContact O-N 3.27Å; S80-G83 PolarHBondContact O-N 3.31Å; S80-L84 WeakPolarHBondContact O-CB 3.38Å; S80-L84 PolarHBondContact O-N 3.35Å |
| 81 | A | 74.3 | Confident | 74.3 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.3 | -31.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L38 I77 V78 P85 N106 F110 | L38-A81 HydrophobicContact CD2-CB 4.22Å; I77-A81 WeakPolarHBondContact O-CB 3.26Å; I77-A81 PolarHBondContact O-N 3.25Å; V78-A81 PolarHBondContact O-N 2.91Å; A81-P85 WeakPolarHBondContact O-CD 3.4Å; A81-P85 WeakPolarHBondContact O-CG 3.45Å; A81-N106 PolarHBondContact O-ND2 2.84Å; A81-F110 HydrophobicContact CB-CE2 4.24Å; A81-F110 HydrophobicContact CB-CZ 4.01Å |
| 82 | F | 79.8 | Confident | 74.2 | Confident | 54 Ų | 54 | 65.3 Ų | 65.3 | 24% | 0.237 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -84.4 | -36.1 | 173.4 | -73.6 | -71.6 | 0 | 0 | 0 | 113.6 | V78 V79 S80 P85 I86 L103 N106 V107 F110 | V78-F82 HydrophobicContact CG1-CD2 4.03Å; V78-F82 HydrophobicContact CG1-CE2 3.89Å; V78-F82 VanDerWaalsContact O-CD2 3.23Å; V78-F82 WeakPolarHBondContact O-CD2 3.47Å; V78-F82 PolarHBondContact O-N 3.19Å; V79-F82 PolarHBondContact O-N 3.37Å; S80-F82 PolarHBondContact O-N 3.27Å; F82-P85 WeakPolarHBondContact O-CD 3.41Å; F82-P85 WeakPolarHBondContact O-CG 3.26Å; F82-I86 VanDerWaalsContact O-CD1 3.24Å; F82-I86 WeakPolarHBondContact O-CD1 3.22Å; F82-I86 VanDerWaalsContact O-CG1 3.32Å; F82-I86 WeakPolarHBondContact O-CG1 3.5Å; F82-L103 HydrophobicContact CD1-CD1 3.83Å; F82-L103 HydrophobicContact CD1-CG 4.17Å; F82-L103 HydrophobicContact CE1-CD1 4.43Å; F82-L103 HydrophobicContact CE1-CG 4.27Å; F82-N106 HydrophobicContact CD1-CB 4.32Å; F82-N106 HydrophobicContact CE1-CB 3.73Å; F82-N106 HydrophobicContact CZ-CB 3.97Å; F82-V107 HydrophobicContact CE1-CG2 4.03Å; F82-V107 HydrophobicContact CZ-CG2 4.15Å; F82-F110 HydrophobicContact CD2-CD2 4.44Å; F82-F110 AromaticContact CD2-CE2 3.97Å; F82-F110 HydrophobicContact CD2-CE2 3.97Å; F82-F110 AromaticContact CE2-CD2 3.36Å; F82-F110 HydrophobicContact CE2-CD2 3.36Å; F82-F110 AromaticContact CE2-CE2 3.28Å; F82-F110 HydrophobicContact CE2-CE2 3.28Å; F82-F110 HydrophobicContact CE2-CG 4.45Å; F82-F110 HydrophobicContact CE2-CZ 4.34Å; F82-F110 AromaticContact CZ-CD2 3.52Å; F82-F110 HydrophobicContact CZ-CD2 3.52Å; F82-F110 AromaticContact CZ-CE2 3.75Å; F82-F110 HydrophobicContact CZ-CE2 3.75Å |
| 83 | G | 78.2 | Confident | 73.8 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 26% | 0.258 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.4 | -39.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V79 S80 I86 I87 | V79-G83 PolarHBondContact O-N 2.92Å; S80-G83 PolarHBondContact O-N 3.31Å; G83-I86 PolarHBondContact O-N 2.83Å; G83-I87 WeakPolarHBondContact O-CD1 3.18Å; G83-I87 VanDerWaalsContact O-CG1 3.29Å; G83-I87 WeakPolarHBondContact O-CG1 3.49Å; G83-I87 PolarHBondContact O-N 3.03Å |
| 84 | L | 74.1 | Confident | 73.7 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58 | -49.5 | -177.5 | -132.1 | 150.8 | 0 | 0 | 0 | 114 | F37 F41 S80 I86 I87 F88 | F37-L84 HydrophobicContact CD1-CD1 4.2Å; F41-L84 HydrophobicContact CD2-CD1 4.24Å; F41-L84 HydrophobicContact CE2-CD1 3.5Å; F41-L84 HydrophobicContact CZ-CD1 4.21Å; S80-L84 WeakPolarHBondContact O-CB 3.38Å; S80-L84 PolarHBondContact O-N 3.35Å; L84-I86 VanDerWaalsContact C-N 3.32Å; L84-I86 PolarHBondContact O-N 3.39Å; L84-I87 PolarHBondContact O-N 3.44Å; L84-F88 HydrophobicContact CD2-CD1 4.26Å; L84-F88 HydrophobicContact CD2-CD2 4.02Å; L84-F88 HydrophobicContact CD2-CE1 3.46Å; L84-F88 VanDerWaalsContact CD2-CE1 3.46Å; L84-F88 HydrophobicContact CD2-CE2 3.29Å; L84-F88 HydrophobicContact CD2-CZ 2.99Å; L84-F88 HydrophobicContact CG-CZ 4.35Å; L84-F88 WeakPolarHBondContact O-CD1 3.33Å; L84-F88 WeakPolarHBondContact O-CG 3.45Å; L84-F88 PolarHBondContact O-N 2.93Å; L84-F88 VanDerWaalsContact O-N 3.12Å |
| 85 | P | 71.2 | Confident | 73.9 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.019 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65 | -32.9 | 176.7 | 23.7 | -33.1 | 0 | 0 | 0 | 113.1 | A81 F82 F88 A89 V102 | A81-P85 WeakPolarHBondContact O-CD 3.4Å; A81-P85 WeakPolarHBondContact O-CG 3.45Å; F82-P85 WeakPolarHBondContact O-CD 3.41Å; F82-P85 WeakPolarHBondContact O-CG 3.26Å; P85-F88 PolarHBondContact O-N 2.86Å; P85-A89 PolarHBondContact O-N 3.19Å; P85-V102 HydrophobicContact CB-CG1 3.96Å; P85-V102 HydrophobicContact CG-CG1 4.14Å |
| 86 | I | 76.6 | Confident | 73.8 | Confident | 96 Ų | 96 | 61.6 Ų | 61.6 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 177.7 | -63.6 | 168.3 | 0 | 0 | 0 | 110.7 | F82 G83 L84 F88 A89 R90 | F82-I86 VanDerWaalsContact O-CD1 3.24Å; F82-I86 WeakPolarHBondContact O-CD1 3.22Å; F82-I86 VanDerWaalsContact O-CG1 3.32Å; F82-I86 WeakPolarHBondContact O-CG1 3.5Å; G83-I86 PolarHBondContact O-N 2.83Å; L84-I86 VanDerWaalsContact C-N 3.32Å; L84-I86 PolarHBondContact O-N 3.39Å; I86-F88 VanDerWaalsContact C-N 3.32Å; I86-F88 PolarHBondContact O-N 3.49Å; I86-A89 PolarHBondContact O-N 2.71Å; I86-R90 PolarHBondContact O-N 3.22Å |
| 87 | I | 78.3 | Confident | 73.7 | Confident | 111 Ų | 111 | 62 Ų | 62 | 57% | 0.569 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.7 | -39.8 | 176.7 | -63.8 | 158.7 | 0 | 0 | 0 | 110.3 | G83 L84 R90 A91 | G83-I87 WeakPolarHBondContact O-CD1 3.18Å; G83-I87 VanDerWaalsContact O-CG1 3.29Å; G83-I87 WeakPolarHBondContact O-CG1 3.49Å; G83-I87 PolarHBondContact O-N 3.03Å; L84-I87 PolarHBondContact O-N 3.44Å; I87-R90 PolarHBondContact O-N 3.4Å; I87-A91 WeakPolarHBondContact O-CB 3.49Å; I87-A91 PolarHBondContact O-N 3.05Å |
| 88 | F | 70.4 | Confident | 73.6 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 8% | 0.075 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.3 | -36.1 | 178.4 | -68.9 | -1.2 | 0 | 0 | 0 | 113 | W34 L84 P85 I86 R90 A91 D92 V93 I94 | W34-F88 HydrophobicContact CB-CD2 4.42Å; W34-F88 HydrophobicContact CB-CE2 4.06Å; W34-F88 HydrophobicContact CD2-CD2 4.37Å; W34-F88 HydrophobicContact CD2-CE1 4.1Å; W34-F88 AromaticContact CD2-CE2 3.72Å; W34-F88 HydrophobicContact CD2-CE2 3.72Å; W34-F88 AromaticContact CD2-CZ 3.52Å; W34-F88 HydrophobicContact CD2-CZ 3.52Å; W34-F88 AromaticContact CE3-CD1 3.35Å; W34-F88 HydrophobicContact CE3-CD1 3.35Å; W34-F88 AromaticContact CE3-CD2 3.6Å; W34-F88 HydrophobicContact CE3-CD2 3.6Å; W34-F88 AromaticContact CE3-CE1 3.07Å; W34-F88 HydrophobicContact CE3-CE1 3.07Å; W34-F88 AromaticContact CE3-CE2 3.23Å; W34-F88 HydrophobicContact CE3-CE2 3.23Å; W34-F88 AromaticContact CE3-CG 3.62Å; W34-F88 HydrophobicContact CE3-CG 3.62Å; W34-F88 AromaticContact CE3-CZ 2.91Å; W34-F88 HydrophobicContact CE3-CZ 2.91Å; W34-F88 HydrophobicContact CG-CE2 4.18Å; W34-F88 HydrophobicContact CG-CZ 4.38Å; W34-F88 HydrophobicContact CH2-CD1 4.21Å; W34-F88 AromaticContact CH2-CE1 3.41Å; W34-F88 HydrophobicContact CH2-CE1 3.41Å; W34-F88 VanDerWaalsContact CH2-CE1 3.41Å; W34-F88 AromaticContact CH2-CZ 3.62Å; W34-F88 HydrophobicContact CH2-CZ 3.62Å; W34-F88 HydrophobicContact CZ2-CE1 4.38Å; W34-F88 HydrophobicContact CZ2-CZ 4.16Å; W34-F88 AromaticContact CZ3-CD1 3.15Å; W34-F88 HydrophobicContact CZ3-CD1 3.15Å; W34-F88 HydrophobicContact CZ3-CD2 4.26Å; W34-F88 AromaticContact CZ3-CE1 2.71Å; W34-F88 HydrophobicContact CZ3-CE1 2.71Å; W34-F88 AromaticContact CZ3-CE2 3.87Å; W34-F88 HydrophobicContact CZ3-CE2 3.87Å; W34-F88 AromaticContact CZ3-CG 3.93Å; W34-F88 HydrophobicContact CZ3-CG 3.93Å; W34-F88 AromaticContact CZ3-CZ 3.06Å; W34-F88 HydrophobicContact CZ3-CZ 3.06Å; L84-F88 HydrophobicContact CD2-CD1 4.26Å; L84-F88 HydrophobicContact CD2-CD2 4.02Å; L84-F88 HydrophobicContact CD2-CE1 3.46Å; L84-F88 VanDerWaalsContact CD2-CE1 3.46Å; L84-F88 HydrophobicContact CD2-CE2 3.29Å; L84-F88 HydrophobicContact CD2-CZ 2.99Å; L84-F88 HydrophobicContact CG-CZ 4.35Å; L84-F88 WeakPolarHBondContact O-CD1 3.33Å; L84-F88 WeakPolarHBondContact O-CG 3.45Å; L84-F88 PolarHBondContact O-N 2.93Å; L84-F88 VanDerWaalsContact O-N 3.12Å; P85-F88 PolarHBondContact O-N 2.86Å; I86-F88 VanDerWaalsContact C-N 3.32Å; I86-F88 PolarHBondContact O-N 3.49Å; F88-R90 VanDerWaalsContact C-N 3.32Å; F88-A91 PolarHBondContact O-N 3.34Å; F88-D92 PolarHBondContact O-N 3.14Å; F88-V93 PolarHBondContact O-N 2.93Å; F88-I94 HydrophobicContact CB-CB 4.49Å; F88-I94 HydrophobicContact CB-CD1 3.68Å; F88-I94 HydrophobicContact CB-CG1 4.09Å; F88-I94 HydrophobicContact CD2-CD1 3.65Å; F88-I94 HydrophobicContact CG-CD1 4.16Å; F88-I94 PolarHBondContact O-N 3.17Å |
| 89 | A | 70.9 | Confident | 73.4 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.033 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65 | -37 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | P85 I86 A91 D92 I94 C99 | P85-A89 PolarHBondContact O-N 3.19Å; I86-A89 PolarHBondContact O-N 2.71Å; A89-A91 VanDerWaalsContact C-N 3.35Å; A89-D92 PolarHBondContact O-N 3.39Å; A89-I94 WeakPolarHBondContact CA-O 3.21Å; A89-C99 HydrophobicContact CB-CB 4.02Å |
| 90 | R | 73.1 | Confident | 73.3 | Confident | 206 Ų | 206 | 57 Ų | 57 | 78% | 0.777 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -71.8 | -29.3 | 177 | -170.1 | 63.7 | -117.1 | -138.1 | -0.5 | 113.4 | I86 I87 F88 D92 | I86-R90 PolarHBondContact O-N 3.22Å; I87-R90 PolarHBondContact O-N 3.4Å; F88-R90 VanDerWaalsContact C-N 3.32Å; R90-D92 VanDerWaalsContact C-N 3.27Å |
| 91 | A | 74.1 | Confident | 73.3 | Confident | 60 Ų | 60 | 57.1 Ų | 57.1 | 50% | 0.496 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 7.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I87 F88 A89 V93 | I87-A91 WeakPolarHBondContact O-CB 3.49Å; I87-A91 PolarHBondContact O-N 3.05Å; F88-A91 PolarHBondContact O-N 3.34Å; A89-A91 VanDerWaalsContact C-N 3.35Å; A91-V93 HydrophobicContact CB-CG2 3.9Å; A91-V93 PolarHBondContact O-N 3.13Å; A91-V93 VanDerWaalsContact O-N 3.08Å |
| 92 | D | 65.3 | Low | 73.4 | Confident | 146 Ų | 146 | 57 Ų | 57 | 78% | 0.781 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 23.3 | -176.6 | -94.7 | -74.4 | 0 | 0 | 0 | 113.8 | F88 A89 R90 | F88-D92 PolarHBondContact O-N 3.14Å; A89-D92 PolarHBondContact O-N 3.39Å; R90-D92 VanDerWaalsContact C-N 3.27Å |
| 93 | V | 64.2 | Low | 73.5 | Confident | 39 Ų | 39 | 57.6 Ų | 57.6 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -83.1 | -28.5 | 177.5 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | K32 W34 F88 A91 | K32-V93 HydrophobicContact CD-CG1 4.42Å; K32-V93 WeakPolarHBondContact CG-O 3.34Å; W34-V93 HydrophobicContact CB-CG1 4.2Å; W34-V93 HydrophobicContact CD2-CG1 4.27Å; W34-V93 HydrophobicContact CE3-CB 4.44Å; W34-V93 HydrophobicContact CE3-CG1 3.84Å; W34-V93 HydrophobicContact CE3-CG2 4.48Å; W34-V93 HydrophobicContact CG-CG1 4.35Å; F88-V93 PolarHBondContact O-N 2.93Å; A91-V93 HydrophobicContact CB-CG2 3.9Å; A91-V93 PolarHBondContact O-N 3.13Å; A91-V93 VanDerWaalsContact O-N 3.08Å |
| 94 | I | 67.9 | Low | 73.8 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 5% | 0.046 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -135 | 134.7 | -179.8 | -60.9 | 174.8 | 0 | 0 | 0 | 107.4 | P35 F88 A89 A98 | P35-I94 HydrophobicContact CB-CD1 4.33Å; P35-I94 HydrophobicContact CG-CD1 3.72Å; P35-I94 HydrophobicContact CG-CG1 4.47Å; F88-I94 HydrophobicContact CB-CB 4.49Å; F88-I94 HydrophobicContact CB-CD1 3.68Å; F88-I94 HydrophobicContact CB-CG1 4.09Å; F88-I94 HydrophobicContact CD2-CD1 3.65Å; F88-I94 HydrophobicContact CG-CD1 4.16Å; F88-I94 PolarHBondContact O-N 3.17Å; A89-I94 WeakPolarHBondContact CA-O 3.21Å; I94-A98 HydrophobicContact CG2-CB 3.37Å |
| 95 | A | 71.5 | Confident | 74.1 | Confident | 44 Ų | 44 | 58.3 Ų | 58.3 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | trans | -77.4 | 159.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y30 G97 A98 C99 | Y30-A95 HydrophobicContact CD1-CB 4.41Å; Y30-A95 HydrophobicContact CE1-CB 3.34Å; A95-G97 PolarHBondContact O-N 3.22Å; A95-A98 PolarHBondContact O-N 3.42Å; A95-C99 PolarHBondContact O-N 3.24Å; A95-C99 VanDerWaalsContact O-N 3.09Å | ||
| 96 | W | 72.9 | Confident | 74.6 | Confident | 193 Ų | 193 | 58.2 Ų | 58.2 | 73% | 0.731 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -52.1 | -31.5 | -175.8 | -72.1 | 89.9 | 0 | 0 | 0 | 114.2 | C99 A100 | W96-C99 PolarHBondContact O-N 3.14Å; W96-A100 PolarHBondContact O-N 3.29Å |
| 97 | G | 73.3 | Confident | 75 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A95 C99 A100 L101 | A95-G97 PolarHBondContact O-N 3.22Å; G97-C99 VanDerWaalsContact C-N 3.34Å; G97-A100 PolarHBondContact O-N 2.96Å; G97-L101 PolarHBondContact O-N 2.9Å |
| 98 | A | 71.3 | Confident | 75.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.2 | -35.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y30 I94 A95 A100 L101 V102 | Y30-A98 HydrophobicContact CD1-CB 4.07Å; Y30-A98 HydrophobicContact CD2-CB 3.8Å; Y30-A98 HydrophobicContact CE1-CB 3.93Å; Y30-A98 HydrophobicContact CE2-CB 3.67Å; Y30-A98 HydrophobicContact CG-CB 4.03Å; Y30-A98 PolarHBondContact OH-N 2.78Å; I94-A98 HydrophobicContact CG2-CB 3.37Å; A95-A98 PolarHBondContact O-N 3.42Å; A98-A100 VanDerWaalsContact C-N 3.34Å; A98-A100 PolarHBondContact O-N 2.84Å; A98-L101 PolarHBondContact O-N 3.39Å; A98-V102 VanDerWaalsContact O-CG2 3.27Å; A98-V102 WeakPolarHBondContact O-CG2 3.42Å; A98-V102 PolarHBondContact O-N 2.86Å |
| 99 | C | 74.3 | Confident | 75.7 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 8% | 0.081 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 173.7 | -165.9 | 0 | 0 | 0 | 0 | 112.2 | A89 A95 W96 G97 V102 L103 | A89-C99 HydrophobicContact CB-CB 4.02Å; A95-C99 PolarHBondContact O-N 3.24Å; A95-C99 VanDerWaalsContact O-N 3.09Å; W96-C99 PolarHBondContact O-N 3.14Å; G97-C99 VanDerWaalsContact C-N 3.34Å; C99-V102 PolarHBondContact O-N 2.83Å; C99-L103 WeakPolarHBondContact O-CB 3.25Å; C99-L103 PolarHBondContact O-N 3.32Å |
| 100 | A | 80.3 | Confident | 76 | Confident | 54 Ų | 54 | 55.4 Ų | 55.4 | 45% | 0.446 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W96 G97 A98 L103 T104 | W96-A100 PolarHBondContact O-N 3.29Å; G97-A100 PolarHBondContact O-N 2.96Å; A98-A100 VanDerWaalsContact C-N 3.34Å; A98-A100 PolarHBondContact O-N 2.84Å; A100-L103 PolarHBondContact O-N 2.69Å; A100-T104 WeakPolarHBondContact O-CB 3.35Å; A100-T104 PolarHBondContact O-N 2.93Å; A100-T104 PolarHBondContact O-OG1 3.11Å |
| 101 | L | 77.6 | Confident | 76.4 | Confident | 52 Ų | 52 | 48.2 Ų | 48.2 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 174.9 | -89.8 | 156.2 | 0 | 0 | 0 | 112 | F20 G97 A98 T104 G105 | F20-L101 HydrophobicContact CB-CD2 4.38Å; F20-L101 HydrophobicContact CD1-CD2 3.47Å; F20-L101 VanDerWaalsContact CD1-CD2 3.47Å; F20-L101 HydrophobicContact CE1-CD2 4.18Å; F20-L101 HydrophobicContact CG-CD2 4.34Å; G97-L101 PolarHBondContact O-N 2.9Å; A98-L101 PolarHBondContact O-N 3.39Å; L101-T104 PolarHBondContact O-N 2.87Å; L101-G105 PolarHBondContact O-N 3.16Å |
| 102 | V | 77 | Confident | 76.5 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 111 | L21 L38 P85 A98 C99 T104 G105 N106 | L21-V102 HydrophobicContact CD1-CG1 4.07Å; L21-V102 HydrophobicContact CD1-CG2 4.18Å; L38-V102 HydrophobicContact CD1-CG1 3.55Å; P85-V102 HydrophobicContact CB-CG1 3.96Å; P85-V102 HydrophobicContact CG-CG1 4.14Å; A98-V102 VanDerWaalsContact O-CG2 3.27Å; A98-V102 WeakPolarHBondContact O-CG2 3.42Å; A98-V102 PolarHBondContact O-N 2.86Å; C99-V102 PolarHBondContact O-N 2.83Å; V102-T104 VanDerWaalsContact C-N 3.3Å; V102-T104 PolarHBondContact O-N 3.21Å; V102-G105 PolarHBondContact O-N 3.39Å; V102-N106 PolarHBondContact O-N 2.84Å |
| 103 | L | 81.9 | Confident | 76.9 | Confident | 66 Ų | 66 | 42.5 Ų | 42.5 | 35% | 0.346 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 177.5 | -155 | 96.7 | 0 | 0 | 0 | 111.1 | F82 C99 A100 N106 V107 | F82-L103 HydrophobicContact CD1-CD1 3.83Å; F82-L103 HydrophobicContact CD1-CG 4.17Å; F82-L103 HydrophobicContact CE1-CD1 4.43Å; F82-L103 HydrophobicContact CE1-CG 4.27Å; C99-L103 WeakPolarHBondContact O-CB 3.25Å; C99-L103 PolarHBondContact O-N 3.32Å; A100-L103 PolarHBondContact O-N 2.69Å; L103-N106 PolarHBondContact O-N 3.31Å; L103-V107 WeakPolarHBondContact O-CG2 3.29Å; L103-V107 PolarHBondContact O-N 2.61Å |
| 104 | T | 84.4 | Confident | 77.4 | Confident | 70 Ų | 70 | 46 Ų | 46 | 43% | 0.429 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 178.2 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | A100 L101 V102 N106 V107 V108 | A100-T104 WeakPolarHBondContact O-CB 3.35Å; A100-T104 PolarHBondContact O-N 2.93Å; A100-T104 PolarHBondContact O-OG1 3.11Å; L101-T104 PolarHBondContact O-N 2.87Å; V102-T104 VanDerWaalsContact C-N 3.3Å; V102-T104 PolarHBondContact O-N 3.21Å; T104-N106 PolarHBondContact O-N 3.3Å; T104-V107 PolarHBondContact O-N 3.42Å; T104-V108 WeakPolarHBondContact O-CG2 3.15Å; T104-V108 PolarHBondContact O-N 2.89Å |
| 105 | G | 80.3 | Confident | 77.7 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.7 | -45.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L101 V102 V107 V108 I109 | L101-G105 PolarHBondContact O-N 3.16Å; V102-G105 PolarHBondContact O-N 3.39Å; G105-V107 PolarHBondContact O-N 3.22Å; G105-V108 PolarHBondContact O-N 3.36Å; G105-I109 VanDerWaalsContact O-CG1 3.28Å; G105-I109 WeakPolarHBondContact O-CG1 3.5Å; G105-I109 PolarHBondContact O-N 3.34Å |
| 106 | N | 82.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 175.9 | -77.1 | -16.3 | 0 | 0 | 0 | 111.8 | A81 F82 V102 L103 T104 V108 I109 F110 | A81-N106 PolarHBondContact O-ND2 2.84Å; F82-N106 HydrophobicContact CD1-CB 4.32Å; F82-N106 HydrophobicContact CE1-CB 3.73Å; F82-N106 HydrophobicContact CZ-CB 3.97Å; V102-N106 PolarHBondContact O-N 2.84Å; L103-N106 PolarHBondContact O-N 3.31Å; T104-N106 PolarHBondContact O-N 3.3Å; N106-V108 PolarHBondContact O-N 2.91Å; N106-I109 PolarHBondContact O-N 2.94Å; N106-F110 HydrophobicContact CB-CD2 4.35Å; N106-F110 HydrophobicContact CB-CE2 4.16Å; N106-F110 WeakPolarHBondContact O-CD2 3.39Å; N106-F110 PolarHBondContact O-N 2.86Å |
| 107 | V | 83.8 | Confident | 77.5 | Confident | 80 Ų | 80 | 43.7 Ų | 43.7 | 49% | 0.485 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.1 | -46.5 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | F82 L103 T104 G105 I109 F110 A111 | F82-V107 HydrophobicContact CE1-CG2 4.03Å; F82-V107 HydrophobicContact CZ-CG2 4.15Å; L103-V107 WeakPolarHBondContact O-CG2 3.29Å; L103-V107 PolarHBondContact O-N 2.61Å; T104-V107 PolarHBondContact O-N 3.42Å; G105-V107 PolarHBondContact O-N 3.22Å; V107-I109 VanDerWaalsContact C-N 3.3Å; V107-I109 PolarHBondContact O-N 3.21Å; V107-F110 PolarHBondContact O-N 2.77Å; V107-A111 VanDerWaalsContact O-CB 3.3Å; V107-A111 WeakPolarHBondContact O-CB 3.45Å; V107-A111 PolarHBondContact O-N 3.31Å |
| 108 | V | 83.1 | Confident | 77.3 | Confident | 40 Ų | 40 | 48 Ų | 48 | 24% | 0.242 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 179.2 | 172.9 | 0 | 0 | 0 | 0 | 111 | G13 I16 T104 G105 N106 A111 T112 | G13-V108 VanDerWaalsContact O-CG1 3.3Å; G13-V108 WeakPolarHBondContact O-CG1 3.12Å; I16-V108 HydrophobicContact CG2-CG1 4.47Å; T104-V108 WeakPolarHBondContact O-CG2 3.15Å; T104-V108 PolarHBondContact O-N 2.89Å; G105-V108 PolarHBondContact O-N 3.36Å; N106-V108 PolarHBondContact O-N 2.91Å; V108-A111 PolarHBondContact O-N 3.01Å; V108-T112 WeakPolarHBondContact O-CB 3.43Å; V108-T112 PolarHBondContact O-N 3.3Å; V108-T112 PolarHBondContact O-OG1 3.48Å |
| 109 | I | 80.3 | Confident | 77.1 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.072 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -74.9 | -39.9 | -177.6 | -60.3 | 166.6 | 0 | 0 | 0 | 111.6 | Y42 G105 N106 V107 A111 T112 I113 | Y42-I109 HydrophobicContact CE1-CB 4.24Å; Y42-I109 HydrophobicContact CE1-CD1 3.97Å; Y42-I109 HydrophobicContact CE1-CG2 3.33Å; Y42-I109 HydrophobicContact CE2-CD1 3.85Å; Y42-I109 WeakPolarHBondContact OH-CB 3.32Å; Y42-I109 WeakPolarHBondContact OH-CD1 3.42Å; Y42-I109 WeakPolarHBondContact OH-CG2 3.05Å; G105-I109 VanDerWaalsContact O-CG1 3.28Å; G105-I109 WeakPolarHBondContact O-CG1 3.5Å; G105-I109 PolarHBondContact O-N 3.34Å; N106-I109 PolarHBondContact O-N 2.94Å; V107-I109 VanDerWaalsContact C-N 3.3Å; V107-I109 PolarHBondContact O-N 3.21Å; I109-A111 VanDerWaalsContact C-N 3.31Å; I109-A111 PolarHBondContact O-N 3.31Å; I109-T112 WeakPolarHBondContact O-CB 3.3Å; I109-T112 PolarHBondContact O-N 3.38Å; I109-T112 VanDerWaalsContact O-N 3.11Å; I109-I113 HydrophobicContact CG2-CD1 4.16Å; I109-I113 WeakPolarHBondContact O-CG1 3.32Å; I109-I113 PolarHBondContact O-N 2.96Å |
| 110 | F | 77.6 | Confident | 76.4 | Confident | 36 Ų | 36 | 53.6 Ų | 53.6 | 16% | 0.158 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 172.3 | -72.9 | -59.2 | 0 | 0 | 0 | 112 | V78 A81 F82 N106 V107 T112 I113 L114 | V78-F110 HydrophobicContact CB-CE1 3.88Å; V78-F110 HydrophobicContact CB-CZ 3.9Å; V78-F110 HydrophobicContact CG1-CD1 4.24Å; V78-F110 HydrophobicContact CG1-CD2 4.35Å; V78-F110 HydrophobicContact CG1-CE1 3.88Å; V78-F110 HydrophobicContact CG1-CE2 3.99Å; V78-F110 HydrophobicContact CG1-CG 4.49Å; V78-F110 HydrophobicContact CG1-CZ 3.76Å; V78-F110 HydrophobicContact CG2-CD1 3.85Å; V78-F110 HydrophobicContact CG2-CE1 3.26Å; V78-F110 HydrophobicContact CG2-CZ 3.82Å; A81-F110 HydrophobicContact CB-CE2 4.24Å; A81-F110 HydrophobicContact CB-CZ 4.01Å; F82-F110 HydrophobicContact CD2-CD2 4.44Å; F82-F110 AromaticContact CD2-CE2 3.97Å; F82-F110 HydrophobicContact CD2-CE2 3.97Å; F82-F110 AromaticContact CE2-CD2 3.36Å; F82-F110 HydrophobicContact CE2-CD2 3.36Å; F82-F110 AromaticContact CE2-CE2 3.28Å; F82-F110 HydrophobicContact CE2-CE2 3.28Å; F82-F110 HydrophobicContact CE2-CG 4.45Å; F82-F110 HydrophobicContact CE2-CZ 4.34Å; F82-F110 AromaticContact CZ-CD2 3.52Å; F82-F110 HydrophobicContact CZ-CD2 3.52Å; F82-F110 AromaticContact CZ-CE2 3.75Å; F82-F110 HydrophobicContact CZ-CE2 3.75Å; N106-F110 HydrophobicContact CB-CD2 4.35Å; N106-F110 HydrophobicContact CB-CE2 4.16Å; N106-F110 WeakPolarHBondContact O-CD2 3.39Å; N106-F110 PolarHBondContact O-N 2.86Å; V107-F110 PolarHBondContact O-N 2.77Å; F110-T112 VanDerWaalsContact C-N 3.29Å; F110-T112 PolarHBondContact O-N 3.48Å; F110-I113 HydrophobicContact CD1-CD1 4.2Å; F110-I113 PolarHBondContact O-N 3.21Å; F110-L114 WeakPolarHBondContact O-CB 3.19Å; F110-L114 WeakPolarHBondContact O-CG 3.43Å; F110-L114 PolarHBondContact O-N 3.49Å |
| 111 | A | 81.2 | Confident | 75.1 | Confident | 55 Ų | 55 | 52.3 Ų | 52.3 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V107 V108 I109 L114 G115 | V107-A111 VanDerWaalsContact O-CB 3.3Å; V107-A111 WeakPolarHBondContact O-CB 3.45Å; V107-A111 PolarHBondContact O-N 3.31Å; V108-A111 PolarHBondContact O-N 3.01Å; I109-A111 VanDerWaalsContact C-N 3.31Å; I109-A111 PolarHBondContact O-N 3.31Å; A111-L114 PolarHBondContact O-N 2.85Å; A111-G115 PolarHBondContact O-N 2.83Å |
| 112 | T | 76.3 | Confident | 73.6 | Confident | 24 Ų | 24 | 54.3 Ų | 54.3 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 175.5 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | L10 V108 I109 F110 G115 F116 | L10-T112 HydrophobicContact CB-CG2 3.98Å; L10-T112 HydrophobicContact CD2-CG2 3.91Å; L10-T112 WeakPolarHBondContact CD2-O 3.5Å; L10-T112 HydrophobicContact CG-CG2 3.66Å; L10-T112 VanDerWaalsContact O-CG2 3.22Å; L10-T112 WeakPolarHBondContact O-CG2 3.42Å; V108-T112 WeakPolarHBondContact O-CB 3.43Å; V108-T112 PolarHBondContact O-N 3.3Å; V108-T112 PolarHBondContact O-OG1 3.48Å; I109-T112 WeakPolarHBondContact O-CB 3.3Å; I109-T112 PolarHBondContact O-N 3.38Å; I109-T112 VanDerWaalsContact O-N 3.11Å; F110-T112 VanDerWaalsContact C-N 3.29Å; F110-T112 PolarHBondContact O-N 3.48Å; T112-G115 PolarHBondContact O-N 3.34Å; T112-F116 PolarHBondContact O-N 2.83Å |
| 113 | I | 74.4 | Confident | 71.9 | Confident | 62 Ų | 62 | 58.2 Ų | 58.2 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 175.3 | -66.6 | 164.9 | 0 | 0 | 0 | 110.7 | I109 F110 G115 F116 F117 | I109-I113 HydrophobicContact CG2-CD1 4.16Å; I109-I113 WeakPolarHBondContact O-CG1 3.32Å; I109-I113 PolarHBondContact O-N 2.96Å; F110-I113 HydrophobicContact CD1-CD1 4.2Å; F110-I113 PolarHBondContact O-N 3.21Å; I113-G115 VanDerWaalsContact C-N 3.31Å; I113-G115 PolarHBondContact O-N 3.26Å; I113-F116 VanDerWaalsContact O-CB 3.26Å; I113-F116 WeakPolarHBondContact O-CB 3.5Å; I113-F116 PolarHBondContact O-N 3.32Å; I113-F116 VanDerWaalsContact O-N 3.14Å; I113-F117 HydrophobicContact CG2-CD2 3.89Å; I113-F117 HydrophobicContact CG2-CE2 3.76Å; I113-F117 VanDerWaalsContact O-CD2 3.3Å; I113-F117 WeakPolarHBondContact O-CD2 3.23Å; I113-F117 PolarHBondContact O-N 2.91Å |
| 114 | L | 73.4 | Confident | 70.2 | Confident | 112 Ų | 112 | 60.7 Ų | 60.7 | 59% | 0.586 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.5 | -40.2 | 174.4 | -75.4 | 168.2 | 0 | 0 | 0 | 111.8 | F110 A111 F116 F117 L118 | F110-L114 WeakPolarHBondContact O-CB 3.19Å; F110-L114 WeakPolarHBondContact O-CG 3.43Å; F110-L114 PolarHBondContact O-N 3.49Å; A111-L114 PolarHBondContact O-N 2.85Å; L114-F116 VanDerWaalsContact C-N 3.29Å; L114-F116 PolarHBondContact O-N 3.29Å; L114-F117 PolarHBondContact O-N 3Å; L114-L118 WeakPolarHBondContact O-CB 3.38Å; L114-L118 PolarHBondContact O-N 3.28Å |
| 115 | G | 75.8 | Confident | 68.3 | Low | 23 Ų | 23 | 65.3 Ų | 65.3 | 24% | 0.237 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.6 | -38 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A111 T112 I113 L118 V119 | A111-G115 PolarHBondContact O-N 2.83Å; T112-G115 PolarHBondContact O-N 3.34Å; I113-G115 VanDerWaalsContact C-N 3.31Å; I113-G115 PolarHBondContact O-N 3.26Å; G115-L118 PolarHBondContact O-N 3.4Å; G115-V119 WeakPolarHBondContact O-CB 3.26Å; G115-V119 VanDerWaalsContact O-CG2 3.26Å; G115-V119 WeakPolarHBondContact O-CG2 3.33Å; G115-V119 PolarHBondContact O-N 3.42Å |
| 116 | F | 71.4 | Confident | 66.4 | Low | 48 Ų | 48 | 72.7 Ų | 72.7 | 21% | 0.211 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.4 | -52.6 | 171.8 | -169.1 | -97.4 | 0 | 0 | 0 | 110.6 | L10 Y49 T112 I113 L114 L118 V119 F120 | L10-F116 HydrophobicContact CD2-CB 3.55Å; L10-F116 HydrophobicContact CD2-CD2 3.77Å; L10-F116 HydrophobicContact CD2-CG 4.14Å; Y49-F116 HydrophobicContact CE2-CD1 4.36Å; Y49-F116 AromaticContact CE2-CE1 3.66Å; Y49-F116 HydrophobicContact CE2-CE1 3.66Å; Y49-F116 HydrophobicContact CE2-CZ 4.27Å; Y49-F116 AromaticContact CZ-CE1 3.99Å; Y49-F116 WeakPolarHBondContact OH-CE1 3.03Å; Y49-F116 VanDerWaalsContact OH-CZ 3.29Å; Y49-F116 WeakPolarHBondContact OH-CZ 3.29Å; T112-F116 PolarHBondContact O-N 2.83Å; I113-F116 VanDerWaalsContact O-CB 3.26Å; I113-F116 WeakPolarHBondContact O-CB 3.5Å; I113-F116 PolarHBondContact O-N 3.32Å; I113-F116 VanDerWaalsContact O-N 3.14Å; L114-F116 VanDerWaalsContact C-N 3.29Å; L114-F116 PolarHBondContact O-N 3.29Å; F116-L118 VanDerWaalsContact C-N 3.32Å; F116-L118 PolarHBondContact O-N 2.84Å; F116-V119 PolarHBondContact O-N 3.44Å; F116-F120 HydrophobicContact CD1-CD2 4.19Å; F116-F120 AromaticContact CD2-CD2 3.44Å; F116-F120 HydrophobicContact CD2-CD2 3.44Å; F116-F120 VanDerWaalsContact CD2-CD2 3.44Å; F116-F120 AromaticContact CD2-CE2 3.59Å; F116-F120 HydrophobicContact CD2-CE2 3.59Å; F116-F120 HydrophobicContact CD2-CG 4.5Å; F116-F120 HydrophobicContact CE1-CB 4.23Å; F116-F120 HydrophobicContact CE1-CD2 4.04Å; F116-F120 HydrophobicContact CE1-CG 4.25Å; F116-F120 AromaticContact CE2-CD2 3.29Å; F116-F120 HydrophobicContact CE2-CD2 3.29Å; F116-F120 AromaticContact CE2-CE2 3.31Å; F116-F120 HydrophobicContact CE2-CE2 3.31Å; F116-F120 HydrophobicContact CE2-CG 4.09Å; F116-F120 HydrophobicContact CE2-CZ 4.11Å; F116-F120 AromaticContact CG-CD2 3.9Å; F116-F120 HydrophobicContact CG-CD2 3.9Å; F116-F120 HydrophobicContact CG-CE2 4.48Å; F116-F120 HydrophobicContact CZ-CB 4.41Å; F116-F120 AromaticContact CZ-CD2 3.61Å; F116-F120 HydrophobicContact CZ-CD2 3.61Å; F116-F120 AromaticContact CZ-CE2 4Å; F116-F120 HydrophobicContact CZ-CE2 4Å; F116-F120 AromaticContact CZ-CG 3.94Å; F116-F120 HydrophobicContact CZ-CG 3.94Å; F116-F120 WeakPolarHBondContact O-CB 3.15Å; F116-F120 WeakPolarHBondContact O-CD2 3.29Å; F116-F120 PolarHBondContact O-N 3.02Å |
| 117 | F | 67 | Low | 64.3 | Low | 126 Ų | 126 | 75.6 Ų | 75.6 | 55% | 0.553 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.8 | -35.2 | 179.5 | -81.3 | -71.8 | 0 | 0 | 0 | 113.2 | I113 L114 G121 | I113-F117 HydrophobicContact CG2-CD2 3.89Å; I113-F117 HydrophobicContact CG2-CE2 3.76Å; I113-F117 VanDerWaalsContact O-CD2 3.3Å; I113-F117 WeakPolarHBondContact O-CD2 3.23Å; I113-F117 PolarHBondContact O-N 2.91Å; L114-F117 PolarHBondContact O-N 3Å; F117-G121 WeakPolarHBondContact O-CA 3.31Å; F117-G121 PolarHBondContact O-N 2.92Å |
| 118 | L | 69.4 | Low | 62.1 | Low | 131 Ų | 131 | 80.9 Ų | 80.9 | 69% | 0.686 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -69.9 | -43.6 | 175.7 | -96.3 | 163.4 | 0 | 0 | 0 | 111.9 | L114 G115 F116 S122 | L114-L118 WeakPolarHBondContact O-CB 3.38Å; L114-L118 PolarHBondContact O-N 3.28Å; G115-L118 PolarHBondContact O-N 3.4Å; F116-L118 VanDerWaalsContact C-N 3.32Å; F116-L118 PolarHBondContact O-N 2.84Å; L118-S122 WeakPolarHBondContact O-CB 3.18Å; L118-S122 PolarHBondContact O-N 3.1Å |
| 119 | V | 67.1 | Low | 59.7 | Low | 49 Ų | 49 | 86.8 Ų | 86.8 | 30% | 0.297 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71 | -40.9 | -179.1 | 169 | 0 | 0 | 0 | 0 | 111.5 | A6 G115 F116 N123 | A6-V119 HydrophobicContact CB-CG1 3.83Å; A6-V119 HydrophobicContact CB-CG2 4.02Å; G115-V119 WeakPolarHBondContact O-CB 3.26Å; G115-V119 VanDerWaalsContact O-CG2 3.26Å; G115-V119 WeakPolarHBondContact O-CG2 3.33Å; G115-V119 PolarHBondContact O-N 3.42Å; F116-V119 PolarHBondContact O-N 3.44Å; V119-N123 PolarHBondContact O-ND2 3.27Å |
| 120 | F | 59.6 | Low | 57.4 | Low | 80 Ų | 80 | 93.5 Ų | 93.5 | 35% | 0.351 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -95.6 | -29 | -176.3 | -71.5 | -82.3 | 0 | 0 | 0 | 113.7 | L7 F116 N123 | L7-F120 HydrophobicContact CD1-CZ 4.3Å; L7-F120 HydrophobicContact CD2-CE2 3.76Å; L7-F120 HydrophobicContact CD2-CZ 3.67Å; L7-F120 HydrophobicContact CG-CE2 4.34Å; L7-F120 HydrophobicContact CG-CZ 3.98Å; F116-F120 HydrophobicContact CD1-CD2 4.19Å; F116-F120 AromaticContact CD2-CD2 3.44Å; F116-F120 HydrophobicContact CD2-CD2 3.44Å; F116-F120 VanDerWaalsContact CD2-CD2 3.44Å; F116-F120 AromaticContact CD2-CE2 3.59Å; F116-F120 HydrophobicContact CD2-CE2 3.59Å; F116-F120 HydrophobicContact CD2-CG 4.5Å; F116-F120 HydrophobicContact CE1-CB 4.23Å; F116-F120 HydrophobicContact CE1-CD2 4.04Å; F116-F120 HydrophobicContact CE1-CG 4.25Å; F116-F120 AromaticContact CE2-CD2 3.29Å; F116-F120 HydrophobicContact CE2-CD2 3.29Å; F116-F120 AromaticContact CE2-CE2 3.31Å; F116-F120 HydrophobicContact CE2-CE2 3.31Å; F116-F120 HydrophobicContact CE2-CG 4.09Å; F116-F120 HydrophobicContact CE2-CZ 4.11Å; F116-F120 AromaticContact CG-CD2 3.9Å; F116-F120 HydrophobicContact CG-CD2 3.9Å; F116-F120 HydrophobicContact CG-CE2 4.48Å; F116-F120 HydrophobicContact CZ-CB 4.41Å; F116-F120 AromaticContact CZ-CD2 3.61Å; F116-F120 HydrophobicContact CZ-CD2 3.61Å; F116-F120 AromaticContact CZ-CE2 4Å; F116-F120 HydrophobicContact CZ-CE2 4Å; F116-F120 AromaticContact CZ-CG 3.94Å; F116-F120 HydrophobicContact CZ-CG 3.94Å; F116-F120 WeakPolarHBondContact O-CB 3.15Å; F116-F120 WeakPolarHBondContact O-CD2 3.29Å; F116-F120 PolarHBondContact O-N 3.02Å; F120-N123 CarbonylContact O-C 3.54Å; F120-N123 WeakPolarHBondContact O-CB 3.49Å; F120-N123 PolarHBondContact O-N 3.14Å |
| 121 | G | 52.8 | Low | 55.3 | Low | 27 Ų | 27 | 106.7 Ų | 106.7 | 28% | 0.278 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -82.7 | -26.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F117 N123 D124 | F117-G121 WeakPolarHBondContact O-CA 3.31Å; F117-G121 PolarHBondContact O-N 2.92Å; G121-N123 PolarHBondContact O-N 3.46Å; G121-N123 VanDerWaalsContact O-N 3.16Å; G121-D124 PolarHBondContact O-N 3.25Å; G121-D124 VanDerWaalsContact O-N 3.11Å |
| 122 | S | 46.7 | Very low | 54.1 | Low | 94 Ų | 94 | 109.3 Ų | 109.3 | 66% | 0.657 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -7.9 | 164.7 | -170.2 | 0 | 0 | 0 | 0 | 112.5 | L118 | L118-S122 WeakPolarHBondContact O-CB 3.18Å; L118-S122 PolarHBondContact O-N 3.1Å |
| 123 | N | 41.4 | Very low | 52.9 | Low | 84 Ų | 84 | 113.8 Ų | 113.8 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106 | 25.9 | 171.9 | -76 | -86.4 | 0 | 0 | 0 | 111.5 | V119 F120 G121 D125 F126 | V119-N123 PolarHBondContact O-ND2 3.27Å; F120-N123 CarbonylContact O-C 3.54Å; F120-N123 WeakPolarHBondContact O-CB 3.49Å; F120-N123 PolarHBondContact O-N 3.14Å; G121-N123 PolarHBondContact O-N 3.46Å; G121-N123 VanDerWaalsContact O-N 3.16Å; N123-D125 PolarHBondContact O-N 2.92Å; N123-F126 HydrophobicContact CB-CB 3.95Å; N123-F126 WeakPolarHBondContact O-CA 3.45Å; N123-F126 VanDerWaalsContact O-CB 3.25Å; N123-F126 WeakPolarHBondContact O-CB 3.42Å; N123-F126 PolarHBondContact O-N 3.05Å |
| 124 | D | 45.5 | Very low | 51.7 | Low | 119 Ų | 119 | 116.7 Ų | 116.7 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -1 | 165.9 | -78.8 | -39.9 | 0 | 0 | 0 | 112.8 | G121 | G121-D124 PolarHBondContact O-N 3.25Å; G121-D124 VanDerWaalsContact O-N 3.11Å |
| 125 | D | 44 | Very low | 50.4 | Low | 166 Ų | 166 | 116.9 Ų | 116.9 | 89% | 0.888 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -4.6 | 158.5 | -72 | -40.1 | 0 | 0 | 0 | 113.3 | N123 S127 | N123-D125 PolarHBondContact O-N 2.92Å; D125-S127 VanDerWaalsContact C-N 3.31Å; D125-S127 PolarHBondContact O-N 3.49Å |
| 126 | F | 42.2 | Very low | 48.8 | Very low | 157 Ų | 157 | 122.8 Ų | 122.8 | 69% | 0.689 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -95.9 | 63.9 | 175.1 | -150.1 | -90.8 | 0 | 0 | 0 | 110 | N123 | N123-F126 HydrophobicContact CB-CB 3.95Å; N123-F126 WeakPolarHBondContact O-CA 3.45Å; N123-F126 VanDerWaalsContact O-CB 3.25Å; N123-F126 WeakPolarHBondContact O-CB 3.42Å; N123-F126 PolarHBondContact O-N 3.05Å |
| 127 | S | 38 | Very low | 47.3 | Very low | 60 Ų | 60 | 127.8 Ų | 127.8 | 42% | 0.42 | 62% | 0.62 | S | S | . | * | trans | 36.1 | 96.5 | 148.5 | 64.2 | 0 | 0 | 0 | 0 | 116.5 | D125 Q129 | D125-S127 VanDerWaalsContact C-N 3.31Å; D125-S127 PolarHBondContact O-N 3.49Å; S127-Q129 PolarHBondContact O-N 3.26Å | ||
| 128 | W | 36.7 | Very low | 45.9 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 72% | 0.723 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 27.5 | 150.6 | -73.6 | 102.8 | 0 | 0 | 0 | 112.7 | ||
| 129 | Q | 33.8 | Very low | 44.1 | Very low | 165 Ų | 165 | 127.7 Ų | 127.7 | 77% | 0.771 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 11.4 | -179 | -84.9 | -167.3 | -4 | 0 | 0 | 114.5 | S127 | S127-Q129 PolarHBondContact O-N 3.26Š|
| 130 | Q | 31.8 | Very low | 42.2 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 72% | 0.72 | 65% | 0.648 | S | S | * | * | trans | -133 | 68.9 | 172.2 | -64.8 | -74.8 | -79.4 | 0 | 0 | 109.3 | ||||
| 131 | W | 33.9 | Very low | 40.6 | Very low | 314 Ų | 314 | 139.2 Ų | 139.2 | 100% | 1.189 | 68% | 0.675 | S | S | * | * | 175.8 | 0 | 110.5 | -74 | 0.9 | 0 | 0 | 0 | 108.5 |
Retrieved 131 of 131 residues in 449.9 ms
(Link to these results)