| 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 | 54.7 | Low | 61.9 | Low | 209 Ų | 209 | 105.9 Ų | 105.9 | 100% | 1.03 | 56% | 0.563 | S | S | * | * | 0 | 125.6 | 0 | -72.1 | -176.8 | 168.7 | 0 | 0 | 107.8 | |||||
| 2 | P | 70.3 | Confident | 62.1 | Low | 72 Ų | 72 | 108.9 Ų | 108.9 | 47% | 0.468 | 58% | 0.58 | S | S | . | * | trans | -64.3 | 146.5 | 175.2 | 29.4 | -33.4 | 0 | 0 | 0 | 109.4 | S4 D5 | P2-S4 WeakPolarHBondContact CB-OG 3.45Å; P2-S4 WeakPolarHBondContact CG-OG 3.4Å; P2-S4 PolarHBondContact O-N 3.13Å; P2-D5 VanDerWaalsContact CD-OD2 3.28Å; P2-D5 WeakPolarHBondContact CD-OD2 3.35Å; P2-D5 HydrophobicContact CG-CB 4.25Å; P2-D5 WeakPolarHBondContact CG-OD2 3.33Å; P2-D5 PolarHBondContact O-N 3Å | ||
| 3 | L | 59.4 | Low | 62.4 | Low | 143 Ų | 143 | 105.2 Ų | 105.2 | 75% | 0.749 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -53.9 | -26.2 | -179.2 | -125.4 | 117 | 0 | 0 | 0 | 112.3 | I7 | L3-I7 HydrophobicContact CD2-CD1 4.09Å; L3-I7 WeakPolarHBondContact O-CD1 3.45Å; L3-I7 WeakPolarHBondContact O-CG1 3.18Å; L3-I7 PolarHBondContact O-N 3.45Å; L3-I7 VanDerWaalsContact O-N 3.17Å |
| 4 | S | 65.8 | Low | 62.6 | Low | 64 Ų | 64 | 105.6 Ų | 105.6 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -58.8 | -41.9 | 174.2 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | P2 I7 L8 | P2-S4 WeakPolarHBondContact CB-OG 3.45Å; P2-S4 WeakPolarHBondContact CG-OG 3.4Å; P2-S4 PolarHBondContact O-N 3.13Å; S4-I7 PolarHBondContact O-N 3.25Å; S4-L8 WeakPolarHBondContact O-CD1 3.43Å; S4-L8 WeakPolarHBondContact O-CG 3.3Å; S4-L8 PolarHBondContact O-N 3.43Å |
| 5 | D | 62.3 | Low | 62.5 | Low | 83 Ų | 83 | 112.1 Ų | 112.1 | 44% | 0.444 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -78.4 | -30.5 | -173.3 | -65 | -5 | 0 | 0 | 0 | 111.1 | P2 A9 | P2-D5 VanDerWaalsContact CD-OD2 3.28Å; P2-D5 WeakPolarHBondContact CD-OD2 3.35Å; P2-D5 HydrophobicContact CG-CB 4.25Å; P2-D5 WeakPolarHBondContact CG-OD2 3.33Å; P2-D5 PolarHBondContact O-N 3Å; D5-A9 PolarHBondContact O-N 3.35Å; D5-A9 VanDerWaalsContact O-N 3.1Å |
| 6 | F | 63 | Low | 62.5 | Low | 135 Ų | 135 | 112.1 Ų | 112.1 | 59% | 0.592 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.1 | -38.2 | 174 | -159.3 | -101.2 | 0 | 0 | 0 | 111.7 | L10 | F6-L10 HydrophobicContact CD1-CD1 3.54Å; F6-L10 HydrophobicContact CE1-CD1 3.36Å; F6-L10 HydrophobicContact CG-CD1 4.43Å; F6-L10 HydrophobicContact CZ-CD1 4.13Å; F6-L10 WeakPolarHBondContact O-CD1 3.48Å; F6-L10 PolarHBondContact O-N 3.03Å |
| 7 | I | 62.4 | Low | 62.6 | Low | 85 Ų | 85 | 107.7 Ų | 107.7 | 44% | 0.436 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.7 | -37.6 | 175.2 | -69.5 | 167.7 | 0 | 0 | 0 | 111.1 | L3 S4 K11 | L3-I7 HydrophobicContact CD2-CD1 4.09Å; L3-I7 WeakPolarHBondContact O-CD1 3.45Å; L3-I7 WeakPolarHBondContact O-CG1 3.18Å; L3-I7 PolarHBondContact O-N 3.45Å; L3-I7 VanDerWaalsContact O-N 3.17Å; S4-I7 PolarHBondContact O-N 3.25Å; I7-K11 WeakPolarHBondContact O-CB 3.07Å; I7-K11 PolarHBondContact O-N 3.04Å |
| 8 | L | 63.5 | Low | 62.8 | Low | 104 Ų | 104 | 105.3 Ų | 105.3 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66 | -45.1 | 176.2 | -83.4 | 158.4 | 0 | 0 | 0 | 112.1 | S4 L10 K11 | S4-L8 WeakPolarHBondContact O-CD1 3.43Å; S4-L8 WeakPolarHBondContact O-CG 3.3Å; S4-L8 PolarHBondContact O-N 3.43Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 2.9Å; L8-K11 WeakPolarHBondContact O-CB 3.32Å; L8-K11 PolarHBondContact O-N 2.68Å |
| 9 | A | 62.4 | Low | 63.3 | Low | 72 Ų | 72 | 101.7 Ų | 101.7 | 60% | 0.595 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.6 | -28.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D5 | D5-A9 PolarHBondContact O-N 3.35Å; D5-A9 VanDerWaalsContact O-N 3.1Å |
| 10 | L | 57.2 | Low | 63.9 | Low | 36 Ų | 36 | 101.8 Ų | 101.8 | 19% | 0.188 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -83 | -19 | 176.8 | -82.2 | 158.6 | 0 | 0 | 0 | 113.6 | F6 L8 F16 F20 | F6-L10 HydrophobicContact CD1-CD1 3.54Å; F6-L10 HydrophobicContact CE1-CD1 3.36Å; F6-L10 HydrophobicContact CG-CD1 4.43Å; F6-L10 HydrophobicContact CZ-CD1 4.13Å; F6-L10 WeakPolarHBondContact O-CD1 3.48Å; F6-L10 PolarHBondContact O-N 3.03Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 2.9Å; L10-F16 HydrophobicContact CD2-CB 4.07Å; L10-F16 HydrophobicContact CD2-CD1 3.88Å; L10-F16 HydrophobicContact CD2-CD2 4.49Å; L10-F16 HydrophobicContact CD2-CE1 4.46Å; L10-F16 HydrophobicContact CD2-CG 3.89Å; L10-F20 HydrophobicContact CB-CE2 3.8Å; L10-F20 HydrophobicContact CB-CZ 4.38Å; L10-F20 HydrophobicContact CD1-CE2 3.92Å; L10-F20 HydrophobicContact CD1-CZ 3.99Å; L10-F20 HydrophobicContact CD2-CE2 4.44Å; L10-F20 HydrophobicContact CG-CE2 4.27Å |
| 11 | K | 60 | Low | 64.5 | Low | 162 Ų | 162 | 98.9 Ų | 98.9 | 70% | 0.704 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -73.4 | -27.5 | 179.4 | -169.1 | 177.4 | 176.6 | -173.7 | 0 | 112.7 | I7 L8 N13 | I7-K11 WeakPolarHBondContact O-CB 3.07Å; I7-K11 PolarHBondContact O-N 3.04Å; L8-K11 WeakPolarHBondContact O-CB 3.32Å; L8-K11 PolarHBondContact O-N 2.68Å; K11-N13 VanDerWaalsContact C-N 3.28Å; K11-N13 PolarHBondContact O-N 3.39Å |
| 12 | D | 64 | Low | 65.9 | Low | 142 Ų | 142 | 95.1 Ų | 95.1 | 76% | 0.759 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -3.8 | 179.2 | -71.5 | -23.6 | 0 | 0 | 0 | 113.6 | ||
| 13 | N | 66.6 | Low | 66.6 | Low | 60 Ų | 60 | 96.1 Ų | 96.1 | 32% | 0.321 | 53% | 0.533 | S | S | . | . | trans | -101.8 | 111.8 | 176.8 | -167.3 | -35.5 | 0 | 0 | 0 | 111.6 | K11 Y15 F16 G17 | K11-N13 VanDerWaalsContact C-N 3.28Å; K11-N13 PolarHBondContact O-N 3.39Å; N13-Y15 PolarHBondContact O-N 3.25Å; N13-Y15 VanDerWaalsContact O-N 3.12Å; N13-Y15 PolarHBondContact OD1-N 3.42Å; N13-Y15 VanDerWaalsContact OD1-N 3.13Å; N13-F16 HydrophobicContact CB-CB 4.33Å; N13-F16 HydrophobicContact CB-CD2 4Å; N13-F16 PolarHBondContact O-N 2.72Å; N13-G17 PolarHBondContact O-N 2.79Å; N13-G17 VanDerWaalsContact O-N 3.1Å | ||
| 14 | P | 64.4 | Low | 67.9 | Low | 111 Ų | 111 | 91.3 Ų | 91.3 | 72% | 0.721 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.2 | -23.6 | -174.6 | 22.7 | -32 | 0 | 0 | 0 | 113.9 | ||
| 15 | Y | 62.1 | Low | 69.1 | Low | 203 Ų | 203 | 92.4 Ų | 92.4 | 80% | 0.796 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -79 | -29 | 175.9 | -69.3 | -77.4 | 0 | 0 | 0 | 113.2 | N13 | N13-Y15 PolarHBondContact O-N 3.25Å; N13-Y15 VanDerWaalsContact O-N 3.12Å; N13-Y15 PolarHBondContact OD1-N 3.42Å; N13-Y15 VanDerWaalsContact OD1-N 3.13Å |
| 16 | F | 61.8 | Low | 70.4 | Confident | 113 Ų | 113 | 90.2 Ų | 90.2 | 50% | 0.496 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -89 | -24.4 | 179 | -75.5 | -87.9 | 0 | 0 | 0 | 113 | L10 N13 A18 G19 F20 | L10-F16 HydrophobicContact CD2-CB 4.07Å; L10-F16 HydrophobicContact CD2-CD1 3.88Å; L10-F16 HydrophobicContact CD2-CD2 4.49Å; L10-F16 HydrophobicContact CD2-CE1 4.46Å; L10-F16 HydrophobicContact CD2-CG 3.89Å; N13-F16 HydrophobicContact CB-CB 4.33Å; N13-F16 HydrophobicContact CB-CD2 4Å; N13-F16 PolarHBondContact O-N 2.72Å; F16-A18 VanDerWaalsContact C-N 3.26Å; F16-A18 PolarHBondContact O-N 2.8Å; F16-G19 PolarHBondContact O-N 2.84Å; F16-G19 VanDerWaalsContact O-N 3.08Å; F16-F20 PolarHBondContact O-N 2.94Å; F16-F20 VanDerWaalsContact O-N 3.14Å |
| 17 | G | 64.1 | Low | 71.8 | Confident | 37 Ų | 37 | 87.4 Ų | 87.4 | 38% | 0.381 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.1 | -35.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | N13 G21 | N13-G17 PolarHBondContact O-N 2.79Å; N13-G17 VanDerWaalsContact O-N 3.1Å; G17-G21 PolarHBondContact O-N 3.43Å |
| 18 | A | 65.8 | Low | 73.2 | Confident | 64 Ų | 64 | 86.1 Ų | 86.1 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F16 G21 L22 | F16-A18 VanDerWaalsContact C-N 3.26Å; F16-A18 PolarHBondContact O-N 2.8Å; A18-G21 PolarHBondContact O-N 3.02Å; A18-L22 WeakPolarHBondContact O-CG 3.43Å; A18-L22 PolarHBondContact O-N 3.25Å |
| 19 | G | 72.8 | Confident | 74.7 | Confident | 37 Ų | 37 | 86.7 Ų | 86.7 | 38% | 0.381 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F16 G21 L22 V23 | F16-G19 PolarHBondContact O-N 2.84Å; F16-G19 VanDerWaalsContact O-N 3.08Å; G19-G21 VanDerWaalsContact C-N 3.35Å; G19-L22 PolarHBondContact O-N 2.93Å; G19-V23 WeakPolarHBondContact O-CG2 3.4Å; G19-V23 PolarHBondContact O-N 2.91Å |
| 20 | F | 75.5 | Confident | 76.1 | Confident | 104 Ų | 104 | 85.9 Ų | 85.9 | 46% | 0.456 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 173.1 | -85.4 | -83.3 | 0 | 0 | 0 | 112.7 | L10 F16 V23 G24 | L10-F20 HydrophobicContact CB-CE2 3.8Å; L10-F20 HydrophobicContact CB-CZ 4.38Å; L10-F20 HydrophobicContact CD1-CE2 3.92Å; L10-F20 HydrophobicContact CD1-CZ 3.99Å; L10-F20 HydrophobicContact CD2-CE2 4.44Å; L10-F20 HydrophobicContact CG-CE2 4.27Å; F16-F20 PolarHBondContact O-N 2.94Å; F16-F20 VanDerWaalsContact O-N 3.14Å; F20-V23 PolarHBondContact O-N 3.09Å; F20-G24 PolarHBondContact O-N 3.2Å |
| 21 | G | 77.3 | Confident | 77.9 | Confident | 40 Ų | 40 | 89.7 Ų | 89.7 | 41% | 0.412 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G17 A18 G19 G24 V25 | G17-G21 PolarHBondContact O-N 3.43Å; A18-G21 PolarHBondContact O-N 3.02Å; G19-G21 VanDerWaalsContact C-N 3.35Å; G21-G24 PolarHBondContact O-N 2.86Å; G21-V25 WeakPolarHBondContact O-CB 3.44Å; G21-V25 VanDerWaalsContact O-CG2 3.29Å; G21-V25 WeakPolarHBondContact O-CG2 3.49Å; G21-V25 PolarHBondContact O-N 2.91Å |
| 22 | L | 82.6 | Confident | 79.5 | Confident | 131 Ų | 131 | 85 Ų | 85 | 69% | 0.686 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.7 | -40.8 | 176.1 | -73.9 | 169.4 | 0 | 0 | 0 | 112.7 | A18 G19 G26 | A18-L22 WeakPolarHBondContact O-CG 3.43Å; A18-L22 PolarHBondContact O-N 3.25Å; G19-L22 PolarHBondContact O-N 2.93Å; L22-G26 PolarHBondContact O-N 3.01Å |
| 23 | V | 85.8 | Confident | 81 | Confident | 93 Ų | 93 | 86.8 Ų | 86.8 | 56% | 0.564 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65 | -41.2 | 175 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | G19 F20 G26 T27 | G19-V23 WeakPolarHBondContact O-CG2 3.4Å; G19-V23 PolarHBondContact O-N 2.91Å; F20-V23 PolarHBondContact O-N 3.09Å; V23-G26 PolarHBondContact O-N 2.89Å; V23-T27 WeakPolarHBondContact O-CB 3.47Å; V23-T27 PolarHBondContact O-N 3.32Å; V23-T27 PolarHBondContact O-OG1 3.32Å |
| 24 | G | 87.3 | Confident | 82.2 | Confident | 41 Ų | 41 | 90.6 Ų | 90.6 | 42% | 0.423 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -48 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F20 G21 T27 A28 | F20-G24 PolarHBondContact O-N 3.2Å; G21-G24 PolarHBondContact O-N 2.86Å; G24-T27 PolarHBondContact O-N 3.26Å; G24-A28 WeakPolarHBondContact O-CB 3.26Å; G24-A28 PolarHBondContact O-N 3.3Å |
| 25 | V | 89.8 | Confident | 83.7 | Confident | 88 Ų | 88 | 87.2 Ų | 87.2 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.6 | 172.5 | 0 | 0 | 0 | 0 | 111 | G21 T27 A28 L29 | G21-V25 WeakPolarHBondContact O-CB 3.44Å; G21-V25 VanDerWaalsContact O-CG2 3.29Å; G21-V25 WeakPolarHBondContact O-CG2 3.49Å; G21-V25 PolarHBondContact O-N 2.91Å; V25-T27 PolarHBondContact O-N 2.91Å; V25-A28 PolarHBondContact O-N 2.81Å; V25-L29 HydrophobicContact CG1-CD1 3.91Å; V25-L29 HydrophobicContact CG1-CG 4.38Å; V25-L29 WeakPolarHBondContact O-CB 3.46Å; V25-L29 WeakPolarHBondContact O-CG 3.25Å; V25-L29 PolarHBondContact O-N 3.21Å |
| 26 | G | 90.6 | Very high | 85.1 | Confident | 37 Ų | 37 | 80.3 Ų | 80.3 | 38% | 0.381 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L22 V23 L29 A30 | L22-G26 PolarHBondContact O-N 3.01Å; V23-G26 PolarHBondContact O-N 2.89Å; G26-L29 PolarHBondContact O-N 3.12Å; G26-A30 WeakPolarHBondContact O-CB 3.41Å; G26-A30 PolarHBondContact O-N 3.15Å |
| 27 | T | 91.9 | Very high | 86.6 | Confident | 75 Ų | 75 | 79.9 Ų | 79.9 | 46% | 0.46 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 176.8 | -53.9 | 0 | 0 | 0 | 0 | 111 | V23 G24 V25 A30 L31 | V23-T27 WeakPolarHBondContact O-CB 3.47Å; V23-T27 PolarHBondContact O-N 3.32Å; V23-T27 PolarHBondContact O-OG1 3.32Å; G24-T27 PolarHBondContact O-N 3.26Å; V25-T27 PolarHBondContact O-N 2.91Å; T27-A30 PolarHBondContact O-N 3.13Å; T27-L31 HydrophobicContact CG2-CD1 4.22Å; T27-L31 WeakPolarHBondContact O-CB 3.33Å; T27-L31 WeakPolarHBondContact O-CG 3.44Å; T27-L31 PolarHBondContact O-N 3.05Å |
| 28 | A | 92.1 | Very high | 87.9 | Confident | 58 Ų | 58 | 84 Ų | 84 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | G24 V25 A30 L31 A32 | G24-A28 WeakPolarHBondContact O-CB 3.26Å; G24-A28 PolarHBondContact O-N 3.3Å; V25-A28 PolarHBondContact O-N 2.81Å; A28-A30 PolarHBondContact O-N 3.45Å; A28-L31 PolarHBondContact O-N 3.15Å; A28-A32 WeakPolarHBondContact O-CB 3.42Å; A28-A32 PolarHBondContact O-N 3.06Å |
| 29 | L | 94 | Very high | 89.1 | Confident | 117 Ų | 117 | 83 Ų | 83 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.4 | -40.1 | 175.2 | -74.6 | 171 | 0 | 0 | 0 | 112 | V25 G26 A32 R33 | V25-L29 HydrophobicContact CG1-CD1 3.91Å; V25-L29 HydrophobicContact CG1-CG 4.38Å; V25-L29 WeakPolarHBondContact O-CB 3.46Å; V25-L29 WeakPolarHBondContact O-CG 3.25Å; V25-L29 PolarHBondContact O-N 3.21Å; G26-L29 PolarHBondContact O-N 3.12Å; L29-A32 PolarHBondContact O-N 3.25Å; L29-R33 WeakPolarHBondContact O-CB 3.21Å; L29-R33 PolarHBondContact O-N 3.28Å |
| 30 | A | 92.8 | Very high | 89.7 | Confident | 54 Ų | 54 | 86.5 Ų | 86.5 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G26 T27 A28 R33 K34 | G26-A30 WeakPolarHBondContact O-CB 3.41Å; G26-A30 PolarHBondContact O-N 3.15Å; T27-A30 PolarHBondContact O-N 3.13Å; A28-A30 PolarHBondContact O-N 3.45Å; A30-R33 PolarHBondContact O-N 2.91Å; A30-K34 PolarHBondContact O-N 3.3Å |
| 31 | L | 94.4 | Very high | 90.2 | Very high | 117 Ų | 117 | 84.9 Ų | 84.9 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.5 | -42.9 | 175.3 | -72.6 | 174 | 0 | 0 | 0 | 111.7 | T27 A28 R33 K34 G35 | T27-L31 HydrophobicContact CG2-CD1 4.22Å; T27-L31 WeakPolarHBondContact O-CB 3.33Å; T27-L31 WeakPolarHBondContact O-CG 3.44Å; T27-L31 PolarHBondContact O-N 3.05Å; A28-L31 PolarHBondContact O-N 3.15Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.14Å; L31-K34 PolarHBondContact O-N 2.87Å; L31-G35 PolarHBondContact O-N 3.36Å |
| 32 | A | 94.4 | Very high | 90.6 | Very high | 63 Ų | 63 | 85 Ų | 85 | 52% | 0.521 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A28 L29 G35 A36 | A28-A32 WeakPolarHBondContact O-CB 3.42Å; A28-A32 PolarHBondContact O-N 3.06Å; L29-A32 PolarHBondContact O-N 3.25Å; A32-G35 PolarHBondContact O-N 3.32Å; A32-A36 WeakPolarHBondContact O-CB 3.39Å; A32-A36 PolarHBondContact O-N 3.46Å |
| 33 | R | 94.4 | Very high | 90.8 | Very high | 179 Ų | 179 | 83 Ų | 83 | 68% | 0.675 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -46.1 | 175.7 | -175.6 | 178.4 | 178.9 | 178.2 | 1.2 | 111.9 | L29 A30 L31 A36 Q37 | L29-R33 WeakPolarHBondContact O-CB 3.21Å; L29-R33 PolarHBondContact O-N 3.28Å; A30-R33 PolarHBondContact O-N 2.91Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.14Å; R33-A36 PolarHBondContact O-N 3.27Å; R33-Q37 VanDerWaalsContact O-CG 3.31Å; R33-Q37 WeakPolarHBondContact O-CG 3.47Å; R33-Q37 PolarHBondContact O-N 3.04Å |
| 34 | K | 93.4 | Very high | 90.5 | Very high | 140 Ų | 140 | 85.9 Ų | 85.9 | 61% | 0.609 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.1 | -41.6 | 176.3 | -81.8 | -169.8 | 173.9 | -176.4 | 0 | 112 | A30 L31 Q37 L38 | A30-K34 PolarHBondContact O-N 3.3Å; L31-K34 PolarHBondContact O-N 2.87Å; K34-Q37 PolarHBondContact O-N 3.48Å; K34-L38 WeakPolarHBondContact O-CG 3.34Å; K34-L38 PolarHBondContact O-N 3.22Å |
| 35 | G | 94.3 | Very high | 90.1 | Very high | 41 Ų | 41 | 93.5 Ų | 93.5 | 42% | 0.423 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L31 A32 Q37 L38 G39 | L31-G35 PolarHBondContact O-N 3.36Å; A32-G35 PolarHBondContact O-N 3.32Å; G35-Q37 PolarHBondContact O-N 3.09Å; G35-L38 PolarHBondContact O-N 3.41Å; G35-G39 PolarHBondContact O-N 2.89Å |
| 36 | A | 92.9 | Very high | 89.8 | Confident | 58 Ų | 58 | 95.7 Ų | 95.7 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A32 R33 G39 L40 | A32-A36 WeakPolarHBondContact O-CB 3.39Å; A32-A36 PolarHBondContact O-N 3.46Å; R33-A36 PolarHBondContact O-N 3.27Å; A36-G39 PolarHBondContact O-N 2.96Å; A36-L40 WeakPolarHBondContact O-CB 3.5Å; A36-L40 WeakPolarHBondContact O-CG 3.25Å; A36-L40 PolarHBondContact O-N 3.38Å |
| 37 | Q | 91.8 | Very high | 89.6 | Confident | 103 Ų | 103 | 101 Ų | 101 | 48% | 0.481 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 175.4 | -74.5 | 173.7 | -17.6 | 0 | 0 | 112 | R33 K34 G35 L40 V41 | R33-Q37 VanDerWaalsContact O-CG 3.31Å; R33-Q37 WeakPolarHBondContact O-CG 3.47Å; R33-Q37 PolarHBondContact O-N 3.04Å; K34-Q37 PolarHBondContact O-N 3.48Å; G35-Q37 PolarHBondContact O-N 3.09Å; Q37-L40 PolarHBondContact O-N 3.17Å; Q37-V41 WeakPolarHBondContact O-CG2 3.34Å; Q37-V41 PolarHBondContact O-N 3.06Å |
| 38 | L | 91.4 | Very high | 89.4 | Confident | 123 Ų | 123 | 99.7 Ų | 99.7 | 64% | 0.644 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -40.9 | 177 | -71 | 172.7 | 0 | 0 | 0 | 111.8 | K34 G35 V41 A42 | K34-L38 WeakPolarHBondContact O-CG 3.34Å; K34-L38 PolarHBondContact O-N 3.22Å; G35-L38 PolarHBondContact O-N 3.41Å; L38-V41 PolarHBondContact O-N 3.28Å; L38-A42 WeakPolarHBondContact O-CB 3.18Å; L38-A42 PolarHBondContact O-N 3.29Å |
| 39 | G | 91 | Very high | 89.3 | Confident | 43 Ų | 43 | 99.1 Ų | 99.1 | 44% | 0.443 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G35 A36 A42 F43 | G35-G39 PolarHBondContact O-N 2.89Å; A36-G39 PolarHBondContact O-N 2.96Å; G39-A42 PolarHBondContact O-N 3.41Å; G39-F43 WeakPolarHBondContact O-CB 3.11Å; G39-F43 PolarHBondContact O-N 2.94Å |
| 40 | L | 86.4 | Confident | 89.1 | Confident | 111 Ų | 111 | 98 Ų | 98 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65 | -39.1 | 176.1 | -73.8 | 170.3 | 0 | 0 | 0 | 112.5 | A36 Q37 F43 R44 | A36-L40 WeakPolarHBondContact O-CB 3.5Å; A36-L40 WeakPolarHBondContact O-CG 3.25Å; A36-L40 PolarHBondContact O-N 3.38Å; Q37-L40 PolarHBondContact O-N 3.17Å; L40-F43 PolarHBondContact O-N 3.49Å; L40-R44 WeakPolarHBondContact O-CG 3.2Å; L40-R44 PolarHBondContact O-N 3.37Å |
| 41 | V | 86.1 | Confident | 89.1 | Confident | 70 Ų | 70 | 97.5 Ų | 97.5 | 42% | 0.424 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 175.8 | 172 | 0 | 0 | 0 | 0 | 110.9 | Q37 L38 F43 R44 R45 | Q37-V41 WeakPolarHBondContact O-CG2 3.34Å; Q37-V41 PolarHBondContact O-N 3.06Å; L38-V41 PolarHBondContact O-N 3.28Å; V41-F43 VanDerWaalsContact C-N 3.31Å; V41-F43 PolarHBondContact O-N 2.94Å; V41-R44 PolarHBondContact O-N 3.46Å; V41-R45 WeakPolarHBondContact O-CB 3.28Å; V41-R45 WeakPolarHBondContact O-CG 3.49Å; V41-R45 PolarHBondContact O-N 3.27Å |
| 42 | A | 85.9 | Confident | 89.1 | Confident | 44 Ų | 44 | 97.6 Ų | 97.6 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L38 G39 R45 H46 | L38-A42 WeakPolarHBondContact O-CB 3.18Å; L38-A42 PolarHBondContact O-N 3.29Å; G39-A42 PolarHBondContact O-N 3.41Å; A42-R45 PolarHBondContact O-N 3.12Å; A42-H46 PolarHBondContact O-N 3.48Å; A42-H46 PolarHBondContact O-ND1 3.46Å |
| 43 | F | 85.4 | Confident | 89.1 | Confident | 88 Ų | 88 | 94.9 Ų | 94.9 | 39% | 0.386 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.3 | -49.4 | 175 | 180 | -105.5 | 0 | 0 | 0 | 112 | G39 L40 V41 R45 H46 Y47 M48 L140 | G39-F43 WeakPolarHBondContact O-CB 3.11Å; G39-F43 PolarHBondContact O-N 2.94Å; L40-F43 PolarHBondContact O-N 3.49Å; V41-F43 VanDerWaalsContact C-N 3.31Å; V41-F43 PolarHBondContact O-N 2.94Å; F43-R45 VanDerWaalsContact C-N 3.25Å; F43-R45 PolarHBondContact O-N 3.37Å; F43-H46 PolarHBondContact O-N 3.06Å; F43-Y47 AromaticContact CD2-CD2 3.7Å; F43-Y47 HydrophobicContact CD2-CD2 3.7Å; F43-Y47 HydrophobicContact CD2-CE2 4.48Å; F43-Y47 AromaticContact CD2-CG 3.98Å; F43-Y47 HydrophobicContact CD2-CG 3.98Å; F43-Y47 HydrophobicContact CE2-CD2 4.08Å; F43-Y47 AromaticContact CE2-CG 3.89Å; F43-Y47 HydrophobicContact CE2-CG 3.89Å; F43-Y47 WeakPolarHBondContact O-CB 3.4Å; F43-Y47 PolarHBondContact O-N 3.24Å; F43-M48 HydrophobicContact CD1-CE 4.23Å; F43-M48 HydrophobicContact CE1-CE 3.64Å; F43-L140 HydrophobicContact CZ-CD2 4.3Å |
| 44 | R | 79.6 | Confident | 88.9 | Confident | 154 Ų | 154 | 88.3 Ų | 88.3 | 58% | 0.581 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.4 | -37.4 | 175.7 | -74.9 | -173.4 | -177.1 | -172.6 | 2.6 | 112.4 | L40 V41 M48 | L40-R44 WeakPolarHBondContact O-CG 3.2Å; L40-R44 PolarHBondContact O-N 3.37Å; V41-R44 PolarHBondContact O-N 3.46Å; R44-M48 HydrophobicContact CB-SD 4.38Å; R44-M48 HydrophobicContact CG-SD 3.9Å; R44-M48 WeakPolarHBondContact O-CB 3.22Å |
| 45 | R | 78.8 | Confident | 88.6 | Confident | 200 Ų | 200 | 83.7 Ų | 83.7 | 76% | 0.755 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -74.9 | -32.7 | -179.3 | -74.6 | -178.6 | 177 | -172.8 | -0.8 | 114.1 | V41 A42 F43 | V41-R45 WeakPolarHBondContact O-CB 3.28Å; V41-R45 WeakPolarHBondContact O-CG 3.49Å; V41-R45 PolarHBondContact O-N 3.27Å; A42-R45 PolarHBondContact O-N 3.12Å; F43-R45 VanDerWaalsContact C-N 3.25Å; F43-R45 PolarHBondContact O-N 3.37Å |
| 46 | H | 84.1 | Confident | 88 | Confident | 135 Ų | 135 | 89.4 Ų | 89.4 | 63% | 0.625 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -102.5 | -23.7 | -172.9 | -66.3 | 84 | 0 | 0 | 0 | 114.2 | A42 F43 | A42-H46 PolarHBondContact O-N 3.48Å; A42-H46 PolarHBondContact O-ND1 3.46Å; F43-H46 PolarHBondContact O-N 3.06Å |
| 47 | Y | 85.5 | Confident | 87.8 | Confident | 148 Ų | 148 | 90.6 Ų | 90.6 | 58% | 0.58 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -119.2 | 0.4 | -173.2 | -68.2 | -89.2 | 0 | 0 | 0 | 114.1 | F43 G141 | F43-Y47 AromaticContact CD2-CD2 3.7Å; F43-Y47 HydrophobicContact CD2-CD2 3.7Å; F43-Y47 HydrophobicContact CD2-CE2 4.48Å; F43-Y47 AromaticContact CD2-CG 3.98Å; F43-Y47 HydrophobicContact CD2-CG 3.98Å; F43-Y47 HydrophobicContact CE2-CD2 4.08Å; F43-Y47 AromaticContact CE2-CG 3.89Å; F43-Y47 HydrophobicContact CE2-CG 3.89Å; F43-Y47 WeakPolarHBondContact O-CB 3.4Å; F43-Y47 PolarHBondContact O-N 3.24Å; Y47-G141 PolarHBondContact O-N 3.13Å |
| 48 | M | 88.6 | Confident | 87.4 | Confident | 48 Ų | 48 | 95.4 Ų | 95.4 | 24% | 0.236 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 148.1 | 175.1 | -61 | 177 | 169.6 | 0 | 0 | 110.4 | F43 R44 T138 A139 L140 | F43-M48 HydrophobicContact CD1-CE 4.23Å; F43-M48 HydrophobicContact CE1-CE 3.64Å; R44-M48 HydrophobicContact CB-SD 4.38Å; R44-M48 HydrophobicContact CG-SD 3.9Å; R44-M48 WeakPolarHBondContact O-CB 3.22Å; M48-T138 HydrophobicContact CB-CG2 4.14Å; M48-T138 HydrophobicContact CG-CG2 4.47Å; M48-T138 HydrophobicContact SD-CG2 3.98Å; M48-A139 VanDerWaalsContact CA-O 3.32Å; M48-A139 WeakPolarHBondContact CA-O 3.21Å; M48-L140 HydrophobicContact CE-CD2 3.61Å; M48-L140 HydrophobicContact CE-CG 4.46Å; M48-L140 HydrophobicContact CG-CD2 4.06Å |
| 49 | I | 89.9 | Confident | 87.4 | Confident | 45 Ų | 45 | 90.2 Ų | 90.2 | 23% | 0.231 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 138.7 | 166.3 | -59.8 | 166.9 | 0 | 0 | 0 | 108.2 | T138 A139 G141 T142 F147 | I49-T138 WeakPolarHBondContact O-CA 3.37Å; I49-A139 PolarHBondContact N-O 3.37Å; I49-A139 VanDerWaalsContact N-O 3.09Å; I49-A139 PolarHBondContact O-N 2.64Å; I49-G141 WeakPolarHBondContact CG1-O 2.99Å; I49-T142 VanDerWaalsContact CD1-O 3.26Å; I49-T142 WeakPolarHBondContact CD1-O 3.21Å; I49-F147 HydrophobicContact CB-CE2 3.86Å; I49-F147 HydrophobicContact CG2-CD2 4.08Å; I49-F147 HydrophobicContact CG2-CE2 3.54Å |
| 50 | T | 90.6 | Very high | 87.4 | Confident | 93 Ų | 93 | 89 Ų | 89 | 57% | 0.571 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.6 | 174.8 | 54.3 | 0 | 0 | 0 | 0 | 110.2 | F137 T138 | T50-F137 CarbonylContact C-O 3.58Å; T50-F137 VanDerWaalsContact CA-O 3.23Å; T50-F137 WeakPolarHBondContact CA-O 3.02Å; T50-T138 HydrophobicContact CG2-CG2 3.95Å |
| 51 | L | 92.8 | Very high | 87.4 | Confident | 45 Ų | 45 | 86.7 Ų | 86.7 | 24% | 0.236 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.2 | 166.1 | 172.4 | 69.7 | 0 | 0 | 0 | 107.8 | V53 T136 F137 F147 L151 | L51-V53 HydrophobicContact CD2-CG2 4.17Å; L51-V53 HydrophobicContact CG-CG2 4.09Å; L51-T136 CarbonylContact O-C 3.6Å; L51-T136 VanDerWaalsContact O-CA 3.31Å; L51-T136 WeakPolarHBondContact O-CA 3.42Å; L51-F137 HydrophobicContact CB-CB 4.43Å; L51-F137 PolarHBondContact N-O 3.36Å; L51-F137 PolarHBondContact O-N 2.98Å; L51-F147 HydrophobicContact CB-CD1 4.32Å; L51-F147 HydrophobicContact CB-CD2 3.95Å; L51-F147 HydrophobicContact CB-CE2 4.2Å; L51-F147 HydrophobicContact CB-CG 4.02Å; L51-F147 HydrophobicContact CD2-CB 3.93Å; L51-F147 HydrophobicContact CD2-CD1 4.44Å; L51-F147 HydrophobicContact CD2-CG 4.19Å; L51-L151 HydrophobicContact CD2-CD1 4.01Å; L51-L151 HydrophobicContact CD2-CG 4.31Å |
| 52 | E | 93.2 | Very high | 87.7 | Confident | 118 Ų | 118 | 87.6 Ų | 87.6 | 55% | 0.551 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 130.2 | 172.8 | -178 | 175.8 | -173 | 0 | 0 | 109.8 | S134 | E52-S134 WeakPolarHBondContact OE1-CB 3.22Å; E52-S134 PolarHBondContact OE1-OG 2.91Å; E52-S134 VanDerWaalsContact OE1-OG 3.11Å |
| 53 | V | 94.1 | Very high | 88 | Confident | 6 Ų | 6 | 85.6 Ų | 85.6 | 4% | 0.036 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 112.6 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | L51 D57 S59 L63 S134 V135 | L51-V53 HydrophobicContact CD2-CG2 4.17Å; L51-V53 HydrophobicContact CG-CG2 4.09Å; V53-D57 HydrophobicContact CG1-CB 4.26Å; V53-S59 WeakPolarHBondContact CG1-OG 3.37Å; V53-L63 HydrophobicContact CB-CD1 4.06Å; V53-L63 HydrophobicContact CG1-CD1 4.08Å; V53-L63 HydrophobicContact CG2-CD1 3.67Å; V53-S134 WeakPolarHBondContact O-CA 3.31Å; V53-V135 PolarHBondContact N-O 3.03Å; V53-V135 PolarHBondContact O-N 2.75Å |
| 54 | P | 91.3 | Very high | 88.2 | Confident | 41 Ų | 41 | 81.7 Ų | 81.7 | 27% | 0.266 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 152.3 | 178.4 | 31.9 | -34.4 | 0 | 0 | 0 | 111.2 | R56 D57 W132 | P54-R56 PolarHBondContact O-N 3.46Å; P54-R56 VanDerWaalsContact O-N 3.09Å; P54-D57 HydrophobicContact CG-CB 4.35Å; P54-D57 WeakPolarHBondContact O-CB 3.27Å; P54-D57 PolarHBondContact O-N 3.43Å; P54-W132 HydrophobicContact CB-CZ2 3.98Å |
| 55 | A | 86.1 | Confident | 88.7 | Confident | 44 Ų | 44 | 75.5 Ų | 75.5 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -15.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D57 Y60 E133 | A55-D57 VanDerWaalsContact C-N 3.27Å; A55-Y60 HydrophobicContact CB-CD1 4.16Å; A55-Y60 HydrophobicContact CB-CD2 4.22Å; A55-Y60 HydrophobicContact CB-CE1 4.15Å; A55-Y60 HydrophobicContact CB-CE2 4.2Å; A55-Y60 HydrophobicContact CB-CG 4.2Å; A55-E133 HydrophobicContact CB-CB 3.9Å; A55-E133 WeakPolarHBondContact CB-O 3.37Å; A55-E133 PolarHBondContact N-O 2.75Å |
| 56 | R | 83.3 | Confident | 89.3 | Confident | 161 Ų | 161 | 66.6 Ų | 66.6 | 61% | 0.608 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -22.9 | 172.4 | -72.2 | -173.6 | 168.6 | 173.1 | 0.2 | 113.3 | P54 D125 W132 | P54-R56 PolarHBondContact O-N 3.46Å; P54-R56 VanDerWaalsContact O-N 3.09Å; R56-D125 IonicContact CZ-OD1 2.84Å; R56-D125 IonicContact NE-OD1 3.49Å; R56-D125 PolarHBondContact NE-OD1 2.87Å; R56-D125 IonicContact NH2-OD1 2.75Å; R56-D125 PolarHBondContact NH2-OD1 3.11Å; R56-W132 HydrophobicContact CG-CH2 4.41Å; R56-W132 HydrophobicContact CG-CZ3 4.37Å |
| 57 | D | 87.4 | Confident | 89.6 | Confident | 82 Ų | 82 | 60.4 Ų | 60.4 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -82.1 | 138 | 178.4 | -163.7 | -51.9 | 0 | 0 | 0 | 110.1 | V53 P54 A55 S59 Y60 | V53-D57 HydrophobicContact CG1-CB 4.26Å; P54-D57 HydrophobicContact CG-CB 4.35Å; P54-D57 WeakPolarHBondContact O-CB 3.27Å; P54-D57 PolarHBondContact O-N 3.43Å; A55-D57 VanDerWaalsContact C-N 3.27Å; D57-S59 PolarHBondContact O-N 3.01Å; D57-S59 WeakPolarHBondContact OD1-CB 3.48Å; D57-S59 PolarHBondContact OD1-N 3.38Å; D57-S59 PolarHBondContact OD1-OG 3.31Å; D57-Y60 VanDerWaalsContact O-CB 3.29Å; D57-Y60 WeakPolarHBondContact O-CB 3.49Å; D57-Y60 PolarHBondContact O-N 3.05Å; D57-Y60 VanDerWaalsContact O-N 3.11Å |
| 58 | R | 84.9 | Confident | 89.6 | Confident | 204 Ų | 204 | 55.5 Ų | 55.5 | 77% | 0.77 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -30.1 | 177.3 | -68.3 | -172.2 | 177.9 | -174.4 | 0.2 | 112.4 | Y60 A61 W62 | R58-Y60 PolarHBondContact O-N 3.35Å; R58-A61 PolarHBondContact O-N 3.33Å; R58-W62 HydrophobicContact CB-CH2 4.43Å; R58-W62 HydrophobicContact CB-CZ2 4.14Å |
| 59 | S | 90.4 | Very high | 89.5 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 10% | 0.098 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -19.3 | 178.4 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | V53 D57 W62 L63 | V53-S59 WeakPolarHBondContact CG1-OG 3.37Å; D57-S59 PolarHBondContact O-N 3.01Å; D57-S59 WeakPolarHBondContact OD1-CB 3.48Å; D57-S59 PolarHBondContact OD1-N 3.38Å; D57-S59 PolarHBondContact OD1-OG 3.31Å; S59-W62 PolarHBondContact O-N 2.95Å; S59-L63 WeakPolarHBondContact O-CB 3.44Å; S59-L63 VanDerWaalsContact O-CG 3.29Å; S59-L63 WeakPolarHBondContact O-CG 3.26Å; S59-L63 PolarHBondContact O-N 3.32Å |
| 60 | Y | 90.8 | Very high | 89.3 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.9 | -52.2 | 175.8 | -179.3 | -96.8 | 0 | 0 | 0 | 111.8 | A55 D57 R58 W62 L63 L64 R117 E133 V135 | A55-Y60 HydrophobicContact CB-CD1 4.16Å; A55-Y60 HydrophobicContact CB-CD2 4.22Å; A55-Y60 HydrophobicContact CB-CE1 4.15Å; A55-Y60 HydrophobicContact CB-CE2 4.2Å; A55-Y60 HydrophobicContact CB-CG 4.2Å; D57-Y60 VanDerWaalsContact O-CB 3.29Å; D57-Y60 WeakPolarHBondContact O-CB 3.49Å; D57-Y60 PolarHBondContact O-N 3.05Å; D57-Y60 VanDerWaalsContact O-N 3.11Å; R58-Y60 PolarHBondContact O-N 3.35Å; Y60-W62 VanDerWaalsContact C-N 3.32Å; Y60-W62 PolarHBondContact O-N 3.04Å; Y60-L63 PolarHBondContact O-N 3.13Å; Y60-L64 HydrophobicContact CD1-CD1 3.99Å; Y60-L64 HydrophobicContact CD1-CG 4.47Å; Y60-L64 HydrophobicContact CE1-CD1 3.41Å; Y60-L64 VanDerWaalsContact CE1-CD1 3.41Å; Y60-L64 HydrophobicContact CE1-CG 4.22Å; Y60-L64 WeakPolarHBondContact O-CG 3.29Å; Y60-L64 PolarHBondContact O-N 2.91Å; Y60-R117 PolarHBondContact OH-NE 2.95Å; Y60-R117 VanDerWaalsContact OH-NE 3.13Å; Y60-E133 PolarHBondContact OH-OE2 2.99Å; Y60-V135 HydrophobicContact CD2-CB 4.43Å; Y60-V135 HydrophobicContact CD2-CG2 4.1Å; Y60-V135 HydrophobicContact CE2-CB 4.17Å; Y60-V135 HydrophobicContact CE2-CG2 3.46Å; Y60-V135 VanDerWaalsContact CE2-CG2 3.46Å |
| 61 | A | 87.4 | Confident | 88.7 | Confident | 62 Ų | 62 | 59 Ų | 59 | 51% | 0.512 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R58 L63 L64 S65 | R58-A61 PolarHBondContact O-N 3.33Å; A61-L63 PolarHBondContact O-N 3.47Å; A61-L64 PolarHBondContact O-N 3.22Å; A61-S65 PolarHBondContact O-N 3.2Å; A61-S65 VanDerWaalsContact O-N 3.11Å |
| 62 | W | 91.6 | Very high | 87.3 | Confident | 89 Ų | 89 | 63.2 Ų | 63.2 | 34% | 0.337 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 177.6 | -54.8 | -18.1 | 0 | 0 | 0 | 111.7 | R58 S59 Y60 S65 W66 A154 R155 A158 | R58-W62 HydrophobicContact CB-CH2 4.43Å; R58-W62 HydrophobicContact CB-CZ2 4.14Å; S59-W62 PolarHBondContact O-N 2.95Å; Y60-W62 VanDerWaalsContact C-N 3.32Å; Y60-W62 PolarHBondContact O-N 3.04Å; W62-S65 PolarHBondContact O-N 3.33Å; W62-W66 WeakPolarHBondContact O-CB 3.24Å; W62-W66 PolarHBondContact O-N 3.17Å; W62-A154 HydrophobicContact CB-CB 4.23Å; W62-R155 HydrophobicContact CE3-CB 4.24Å; W62-R155 HydrophobicContact CE3-CG 4.39Å; W62-R155 HydrophobicContact CZ3-CB 4.36Å; W62-R155 HydrophobicContact CZ3-CG 4.08Å; W62-A158 HydrophobicContact CB-CB 4.16Å; W62-A158 HydrophobicContact CD2-CB 4.1Å; W62-A158 HydrophobicContact CG-CB 3.62Å |
| 63 | L | 92.9 | Very high | 86 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.7 | -38 | 178.5 | -75.6 | 167.5 | 0 | 0 | 0 | 112.7 | V53 S59 Y60 A61 W66 L67 F137 I150 L151 A154 | V53-L63 HydrophobicContact CB-CD1 4.06Å; V53-L63 HydrophobicContact CG1-CD1 4.08Å; V53-L63 HydrophobicContact CG2-CD1 3.67Å; S59-L63 WeakPolarHBondContact O-CB 3.44Å; S59-L63 VanDerWaalsContact O-CG 3.29Å; S59-L63 WeakPolarHBondContact O-CG 3.26Å; S59-L63 PolarHBondContact O-N 3.32Å; Y60-L63 PolarHBondContact O-N 3.13Å; A61-L63 PolarHBondContact O-N 3.47Å; L63-W66 PolarHBondContact O-N 3.04Å; L63-L67 WeakPolarHBondContact O-CB 3.25Å; L63-L67 VanDerWaalsContact O-CG 3.24Å; L63-L67 WeakPolarHBondContact O-CG 3.37Å; L63-L67 PolarHBondContact O-N 3.49Å; L63-F137 HydrophobicContact CD1-CE2 4.04Å; L63-F137 HydrophobicContact CD2-CE2 4.27Å; L63-F137 HydrophobicContact CD2-CZ 4.09Å; L63-I150 HydrophobicContact CD2-CG2 3.73Å; L63-L151 HydrophobicContact CD1-CD2 3.84Å; L63-L151 HydrophobicContact CD2-CD2 4.1Å; L63-L151 HydrophobicContact CG-CD2 4.2Å; L63-A154 HydrophobicContact CD2-CB 3.98Å; L63-A154 HydrophobicContact CG-CB 4.4Å |
| 64 | L | 89.9 | Confident | 84.8 | Confident | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 176 | -67.8 | -173.9 | 0 | 0 | 0 | 111.8 | Y60 A61 L67 T68 V98 V135 | Y60-L64 HydrophobicContact CD1-CD1 3.99Å; Y60-L64 HydrophobicContact CD1-CG 4.47Å; Y60-L64 HydrophobicContact CE1-CD1 3.41Å; Y60-L64 VanDerWaalsContact CE1-CD1 3.41Å; Y60-L64 HydrophobicContact CE1-CG 4.22Å; Y60-L64 WeakPolarHBondContact O-CG 3.29Å; Y60-L64 PolarHBondContact O-N 2.91Å; A61-L64 PolarHBondContact O-N 3.22Å; L64-L67 HydrophobicContact CD2-CD1 4.37Å; L64-L67 PolarHBondContact O-N 2.85Å; L64-T68 VanDerWaalsContact O-CG2 3.3Å; L64-T68 WeakPolarHBondContact O-CG2 3.34Å; L64-T68 PolarHBondContact O-N 2.9Å; L64-T68 VanDerWaalsContact O-N 3.15Å; L64-T68 PolarHBondContact O-OG1 3.29Å; L64-V98 HydrophobicContact CB-CG1 4.47Å; L64-V135 HydrophobicContact CD2-CG2 3.94Å |
| 65 | S | 88.3 | Confident | 83.9 | Confident | 25 Ų | 25 | 75 Ų | 75 | 18% | 0.175 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 175.1 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | A61 W62 T68 R69 | A61-S65 PolarHBondContact O-N 3.2Å; A61-S65 VanDerWaalsContact O-N 3.11Å; W62-S65 PolarHBondContact O-N 3.33Å; S65-T68 PolarHBondContact O-OG1 3.06Å; S65-R69 PolarHBondContact O-N 3.49Å |
| 66 | W | 91.6 | Very high | 83.7 | Confident | 12 Ų | 12 | 78.7 Ų | 78.7 | 5% | 0.045 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.4 | -44 | 173.5 | 176.8 | 91.1 | 0 | 0 | 0 | 112.1 | W62 L63 T68 R69 H70 I106 Y108 F137 I150 E153 A154 L157 | W62-W66 WeakPolarHBondContact O-CB 3.24Å; W62-W66 PolarHBondContact O-N 3.17Å; L63-W66 PolarHBondContact O-N 3.04Å; W66-T68 VanDerWaalsContact C-N 3.32Å; W66-T68 PolarHBondContact O-N 2.91Å; W66-R69 PolarHBondContact O-N 3.47Å; W66-H70 HydrophobicContact CD2-CB 4.35Å; W66-H70 HydrophobicContact CH2-CB 4.34Å; W66-H70 AromaticContact CH2-CD2 3.88Å; W66-H70 HydrophobicContact CZ2-CB 4.13Å; W66-H70 AromaticContact CZ2-CG 3.83Å; W66-H70 VanDerWaalsContact O-CB 3.28Å; W66-H70 WeakPolarHBondContact O-CB 3.3Å; W66-H70 PolarHBondContact O-N 3.42Å; W66-I106 HydrophobicContact CH2-CD1 4.01Å; W66-I106 HydrophobicContact CZ3-CD1 3.89Å; W66-Y108 HydrophobicContact CH2-CD2 4.01Å; W66-Y108 HydrophobicContact CH2-CE2 4.32Å; W66-Y108 AromaticContact CZ2-CD2 3.81Å; W66-Y108 HydrophobicContact CZ2-CD2 3.81Å; W66-Y108 AromaticContact CZ2-CE2 3.74Å; W66-Y108 HydrophobicContact CZ2-CE2 3.74Å; W66-F137 HydrophobicContact CZ3-CE1 4.4Å; W66-I150 HydrophobicContact CD2-CG2 4.27Å; W66-I150 HydrophobicContact CE3-CG2 3.93Å; W66-I150 HydrophobicContact CH2-CB 4.43Å; W66-I150 HydrophobicContact CH2-CD1 4.19Å; W66-I150 HydrophobicContact CH2-CG1 3.9Å; W66-I150 HydrophobicContact CH2-CG2 3.79Å; W66-I150 HydrophobicContact CZ2-CG1 4.12Å; W66-I150 HydrophobicContact CZ2-CG2 4.12Å; W66-I150 HydrophobicContact CZ3-CG2 3.68Å; W66-E153 PolarHBondContact NE1-OE2 3.02Å; W66-A154 HydrophobicContact CB-CB 3.69Å; W66-A154 HydrophobicContact CG-CB 4Å; W66-L157 HydrophobicContact CB-CD2 4.05Å |
| 67 | L | 90.5 | Very high | 83.8 | Confident | 5 Ų | 5 | 74.9 Ų | 74.9 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 179 | -82.8 | 168.4 | 0 | 0 | 0 | 111.2 | L63 L64 R69 H70 S71 P99 I106 V115 F137 | L63-L67 WeakPolarHBondContact O-CB 3.25Å; L63-L67 VanDerWaalsContact O-CG 3.24Å; L63-L67 WeakPolarHBondContact O-CG 3.37Å; L63-L67 PolarHBondContact O-N 3.49Å; L64-L67 HydrophobicContact CD2-CD1 4.37Å; L64-L67 PolarHBondContact O-N 2.85Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 3.41Å; L67-H70 PolarHBondContact O-N 3.43Å; L67-S71 VanDerWaalsContact O-CB 3.31Å; L67-S71 WeakPolarHBondContact O-CB 3.39Å; L67-S71 PolarHBondContact O-N 3.41Å; L67-S71 PolarHBondContact O-OG 2.97Å; L67-P99 HydrophobicContact CB-CG 4.04Å; L67-P99 HydrophobicContact CD1-CG 4.32Å; L67-I106 HydrophobicContact CD2-CD1 3.87Å; L67-I106 HydrophobicContact CD2-CG2 4.11Å; L67-V115 HydrophobicContact CD1-CG1 3.91Å; L67-V115 HydrophobicContact CD2-CG1 4.47Å; L67-V115 HydrophobicContact CD2-CG2 4.13Å; L67-F137 HydrophobicContact CD1-CE1 4.42Å; L67-F137 HydrophobicContact CD1-CZ 3.91Å; L67-F137 HydrophobicContact CD2-CE1 4Å; L67-F137 HydrophobicContact CD2-CZ 4.25Å; L67-F137 HydrophobicContact CG-CE1 4.44Å; L67-F137 HydrophobicContact CG-CZ 4.21Å |
| 68 | T | 86.4 | Confident | 83.7 | Confident | 45 Ų | 45 | 72.5 Ų | 72.5 | 28% | 0.276 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.3 | -35.1 | -176.5 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | L64 S65 W66 F97 V98 P99 | L64-T68 VanDerWaalsContact O-CG2 3.3Å; L64-T68 WeakPolarHBondContact O-CG2 3.34Å; L64-T68 PolarHBondContact O-N 2.9Å; L64-T68 VanDerWaalsContact O-N 3.15Å; L64-T68 PolarHBondContact O-OG1 3.29Å; S65-T68 PolarHBondContact O-OG1 3.06Å; W66-T68 VanDerWaalsContact C-N 3.32Å; W66-T68 PolarHBondContact O-N 2.91Å; T68-F97 WeakPolarHBondContact CG2-O 3.37Å; T68-V98 HydrophobicContact CG2-CB 4.49Å; T68-P99 HydrophobicContact CG2-CG 4.24Å |
| 69 | R | 85.8 | Confident | 83.8 | Confident | 175 Ų | 175 | 66.5 Ų | 66.5 | 66% | 0.66 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -74.2 | -35.6 | 175.7 | -163.1 | 165.7 | -177.3 | 171.9 | -0.7 | 112.5 | S65 W66 L67 L157 | S65-R69 PolarHBondContact O-N 3.49Å; W66-R69 PolarHBondContact O-N 3.47Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 3.41Å; R69-L157 HydrophobicContact CB-CD2 4.42Å |
| 70 | H | 85.5 | Confident | 83.5 | Confident | 69 Ų | 69 | 70 Ų | 70 | 32% | 0.319 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -80.8 | -36.3 | -178.6 | -171.7 | 69.2 | 0 | 0 | 0 | 113.1 | W66 L67 T72 W107 Y108 | W66-H70 HydrophobicContact CD2-CB 4.35Å; W66-H70 HydrophobicContact CH2-CB 4.34Å; W66-H70 AromaticContact CH2-CD2 3.88Å; W66-H70 HydrophobicContact CZ2-CB 4.13Å; W66-H70 AromaticContact CZ2-CG 3.83Å; W66-H70 VanDerWaalsContact O-CB 3.28Å; W66-H70 WeakPolarHBondContact O-CB 3.3Å; W66-H70 PolarHBondContact O-N 3.42Å; L67-H70 PolarHBondContact O-N 3.43Å; H70-T72 PolarHBondContact O-N 2.81Å; H70-W107 PolarHBondContact NE2-O 3.49Å; H70-Y108 AromaticContact CE1-CD2 3.85Å; H70-Y108 AromaticContact NE2-CD2 3.8Å |
| 71 | S | 78.8 | Confident | 83.2 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 12% | 0.119 | 37% | 0.366 | C | S | . | . | trans | -92.5 | 95.2 | -178.1 | 59 | 0 | 0 | 0 | 0 | 111.1 | L67 R73 T74 | L67-S71 VanDerWaalsContact O-CB 3.31Å; L67-S71 WeakPolarHBondContact O-CB 3.39Å; L67-S71 PolarHBondContact O-N 3.41Å; L67-S71 PolarHBondContact O-OG 2.97Å; S71-R73 PolarHBondContact O-N 3.44Å; S71-R73 VanDerWaalsContact O-N 3.17Å; S71-T74 WeakPolarHBondContact OG-CG2 3.41Å | ||
| 72 | T | 63.2 | Low | 83 | Confident | 133 Ų | 133 | 72.1 Ų | 72.1 | 82% | 0.816 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -8.6 | 177.6 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | H70 | H70-T72 PolarHBondContact O-N 2.81Š|
| 73 | R | 66.4 | Low | 82.7 | Confident | 218 Ų | 218 | 73.7 Ų | 73.7 | 82% | 0.823 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.2 | 67.1 | -177.9 | -66 | -174.7 | 179.3 | 177.9 | 0.1 | 112.3 | S71 | S71-R73 PolarHBondContact O-N 3.44Å; S71-R73 VanDerWaalsContact O-N 3.17Å |
| 74 | T | 68.3 | Low | 82.3 | Confident | 35 Ų | 35 | 78.7 Ų | 78.7 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | trans | -89.1 | 122.3 | 167.5 | 47.1 | 0 | 0 | 0 | 0 | 110.3 | S71 L77 | S71-T74 WeakPolarHBondContact OG-CG2 3.41Å; T74-L77 VanDerWaalsContact OG1-CD2 3.23Å; T74-L77 WeakPolarHBondContact OG1-CD2 3.49Å | ||
| 75 | Q | 71.6 | Confident | 82.1 | Confident | 160 Ų | 160 | 84.2 Ų | 84.2 | 75% | 0.748 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -81 | -33.6 | 179.9 | -63.1 | -65.8 | -35.8 | 0 | 0 | 112.4 | ||
| 76 | H | 83.1 | Confident | 82 | Confident | 120 Ų | 120 | 87.3 Ų | 87.3 | 56% | 0.556 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -116.6 | 116.9 | -178.2 | -50 | -68.6 | 0 | 0 | 0 | 110.7 | S100 H104 | H76-S100 WeakPolarHBondContact CB-OG 3.43Å; H76-S100 PolarHBondContact O-N 2.96Å; H76-S100 VanDerWaalsContact O-N 3.07Å; H76-H104 PolarHBondContact O-CE1 3.08Å |
| 77 | L | 84.6 | Confident | 81.5 | Confident | 81 Ų | 81 | 96.4 Ų | 96.4 | 42% | 0.424 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.8 | -176.5 | -68.8 | 174.2 | 0 | 0 | 0 | 109.7 | T74 F97 V98 | T74-L77 VanDerWaalsContact OG1-CD2 3.23Å; T74-L77 WeakPolarHBondContact OG1-CD2 3.49Å; L77-F97 HydrophobicContact CD1-CB 4.38Å; L77-F97 HydrophobicContact CD1-CD1 4.37Å; L77-F97 HydrophobicContact CD1-CG 4.5Å; L77-F97 HydrophobicContact CD2-CB 4.35Å; L77-V98 CarbonylContact C-O 3.5Å; L77-V98 WeakPolarHBondContact CA-O 3.4Å |
| 78 | S | 85.9 | Confident | 81.4 | Confident | 32 Ų | 32 | 101 Ų | 101 | 22% | 0.224 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 153.8 | 162.9 | 48.7 | 0 | 0 | 0 | 0 | 109.2 | V98 R117 | S78-V98 PolarHBondContact N-O 3.21Å; S78-V98 PolarHBondContact O-N 3.24Å; S78-V98 VanDerWaalsContact O-O 3.1Å; S78-V98 WeakPolarHBondContact OG-CG2 3.49Å; S78-V98 PolarHBondContact OG-O 3.06Å; S78-R117 PolarHBondContact OG-NH1 3.44Å |
| 79 | V | 87 | Confident | 81.4 | Confident | 79 Ų | 79 | 101 Ų | 101 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.9 | 178.6 | -180 | 0 | 0 | 0 | 0 | 108.8 | F95 F97 | V79-F95 HydrophobicContact CG1-CB 4.17Å; V79-F95 HydrophobicContact CG1-CD1 3.9Å; V79-F95 HydrophobicContact CG1-CG 4.49Å; V79-F97 HydrophobicContact CG2-CD1 3.93Å; V79-F97 HydrophobicContact CG2-CE1 3.81Å |
| 80 | E | 83.9 | Confident | 81.4 | Confident | 88 Ų | 88 | 101 Ų | 101 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124 | 164 | -72.2 | -174.6 | -179.1 | 0 | 0 | 108.5 | E96 V98 | E80-E96 PolarHBondContact N-O 3.31Å; E80-E96 PolarHBondContact O-N 2.75Å; E80-V98 HydrophobicContact CG-CG1 4.35Å; E80-V98 HydrophobicContact CG-CG2 3.97Å |
| 81 | T | 84.3 | Confident | 81.6 | Confident | 78 Ų | 78 | 101.8 Ų | 101.8 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 113.4 | -179.2 | -55.8 | 0 | 0 | 0 | 0 | 109.1 | Y83 K94 F95 | T81-Y83 PolarHBondContact O-N 2.8Å; T81-K94 WeakPolarHBondContact CA-O 3.36Å; T81-F95 HydrophobicContact CG2-CD1 3.78Å; T81-F95 HydrophobicContact CG2-CE1 3.46Å; T81-F95 VanDerWaalsContact CG2-CE1 3.46Å; T81-F95 HydrophobicContact CG2-CZ 4.34Å; T81-F95 VanDerWaalsContact OG1-CD1 3.31Å; T81-F95 WeakPolarHBondContact OG1-CD1 3.43Å; T81-F95 WeakPolarHBondContact OG1-CE1 3.24Å |
| 82 | S | 83.5 | Confident | 81.9 | Confident | 47 Ų | 47 | 102.8 Ų | 102.8 | 33% | 0.329 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 109.6 | 168 | 75.8 | 0 | 0 | 0 | 0 | 108.2 | T93 K94 | S82-T93 WeakPolarHBondContact O-CA 3.46Å; S82-K94 PolarHBondContact N-O 3.32Å; S82-K94 PolarHBondContact O-N 2.9Å; S82-K94 VanDerWaalsContact OG-CB 3.31Å; S82-K94 WeakPolarHBondContact OG-CB 3.41Å; S82-K94 PolarHBondContact OG-N 3.18Å |
| 83 | Y | 84.9 | Confident | 82.9 | Confident | 122 Ų | 122 | 99.8 Ų | 99.8 | 48% | 0.478 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 104.7 | 175.1 | 179.8 | -89.7 | 0 | 0 | 0 | 109 | T81 Q85 I91 T93 | T81-Y83 PolarHBondContact O-N 2.8Å; Y83-Q85 HydrophobicContact CD1-CB 4.42Å; Y83-Q85 HydrophobicContact CE1-CB 3.65Å; Y83-Q85 PolarHBondContact OH-OE1 3.4Å; Y83-Q85 VanDerWaalsContact OH-OE1 3.08Å; Y83-I91 HydrophobicContact CD2-CG2 3.83Å; Y83-I91 HydrophobicContact CE2-CB 4.39Å; Y83-I91 HydrophobicContact CE2-CD1 4.14Å; Y83-I91 HydrophobicContact CE2-CG1 4.23Å; Y83-I91 HydrophobicContact CE2-CG2 3.3Å; Y83-I91 VanDerWaalsContact OH-CD1 3.22Å; Y83-I91 WeakPolarHBondContact OH-CD1 3.43Å; Y83-I91 WeakPolarHBondContact OH-CG1 3.16Å; Y83-T93 HydrophobicContact CD2-CG2 3.67Å; Y83-T93 HydrophobicContact CE2-CG2 4.37Å |
| 84 | L | 84.6 | Confident | 83.9 | Confident | 107 Ų | 107 | 96.1 Ų | 96.1 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 102.4 | 176.9 | -66.7 | 172.8 | 0 | 0 | 0 | 109 | S92 | L84-S92 PolarHBondContact N-O 3.3Å; L84-S92 PolarHBondContact O-N 3.22Å |
| 85 | Q | 86.2 | Confident | 84.8 | Confident | 121 Ų | 121 | 100.6 Ų | 100.6 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 117.3 | 171.1 | -175.8 | 170.5 | 1.3 | 0 | 0 | 109.2 | Y83 I91 | Y83-Q85 HydrophobicContact CD1-CB 4.42Å; Y83-Q85 HydrophobicContact CE1-CB 3.65Å; Y83-Q85 PolarHBondContact OH-OE1 3.4Å; Y83-Q85 VanDerWaalsContact OH-OE1 3.08Å; Q85-I91 HydrophobicContact CG-CG1 4.27Å |
| 86 | H | 85.4 | Confident | 85.4 | Confident | 90 Ų | 90 | 97.4 Ų | 97.4 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | trans | -77 | 155.3 | 174.1 | -61.5 | -81.2 | 0 | 0 | 0 | 110.2 | S88 G89 R90 S92 | H86-S88 PolarHBondContact O-N 3.2Å; H86-G89 PolarHBondContact O-N 2.98Å; H86-R90 HydrophobicContact CB-CB 4.39Å; H86-R90 PolarHBondContact CD2-O 2.94Å; H86-R90 PolarHBondContact N-O 3.32Å; H86-S92 PolarHBondContact NE2-OG 2.89Å | ||
| 87 | E | 82.3 | Confident | 85.6 | Confident | 202 Ų | 202 | 97.4 Ų | 97.4 | 94% | 0.944 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.9 | 175.9 | -64.3 | -178.5 | 168.9 | 0 | 0 | 113 | G89 | E87-G89 PolarHBondContact O-N 3.43Š|
| 88 | S | 86.9 | Confident | 85.8 | Confident | 101 Ų | 101 | 93.9 Ų | 93.9 | 71% | 0.706 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -2 | 173.5 | 60.7 | 0 | 0 | 0 | 0 | 114.5 | H86 R90 | H86-S88 PolarHBondContact O-N 3.2Å; S88-R90 PolarHBondContact O-N 3.39Å |
| 89 | G | 86.4 | Confident | 85.9 | Confident | 46 Ų | 46 | 92.6 Ų | 92.6 | 47% | 0.474 | 47% | 0.469 | S | S | . | . | S | Bend | trans | 80 | -2.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | H86 E87 I91 | H86-G89 PolarHBondContact O-N 2.98Å; E87-G89 PolarHBondContact O-N 3.43Å; G89-I91 PolarHBondContact O-N 2.9Å |
| 90 | R | 86.3 | Confident | 86 | Confident | 176 Ų | 176 | 89.9 Ų | 89.9 | 66% | 0.664 | 45% | 0.453 | S | S | * | . | trans | -68.4 | 128.1 | 173 | -178.3 | 176.9 | 174.8 | 163 | 0.3 | 109.7 | H86 S88 | H86-R90 HydrophobicContact CB-CB 4.39Å; H86-R90 PolarHBondContact CD2-O 2.94Å; H86-R90 PolarHBondContact N-O 3.32Å; S88-R90 PolarHBondContact O-N 3.39Å | ||
| 91 | I | 89.1 | Confident | 86.2 | Confident | 85 Ų | 85 | 88.6 Ų | 88.6 | 44% | 0.436 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 124.8 | 175.7 | -62.5 | 167.9 | 0 | 0 | 0 | 108.5 | Y83 Q85 G89 T93 | Y83-I91 HydrophobicContact CD2-CG2 3.83Å; Y83-I91 HydrophobicContact CE2-CB 4.39Å; Y83-I91 HydrophobicContact CE2-CD1 4.14Å; Y83-I91 HydrophobicContact CE2-CG1 4.23Å; Y83-I91 HydrophobicContact CE2-CG2 3.3Å; Y83-I91 VanDerWaalsContact OH-CD1 3.22Å; Y83-I91 WeakPolarHBondContact OH-CD1 3.43Å; Y83-I91 WeakPolarHBondContact OH-CG1 3.16Å; Q85-I91 HydrophobicContact CG-CG1 4.27Å; G89-I91 PolarHBondContact O-N 2.9Å; I91-T93 HydrophobicContact CG2-CG2 3.86Å |
| 92 | S | 85.3 | Confident | 86.5 | Confident | 38 Ų | 38 | 86.4 Ų | 86.4 | 27% | 0.266 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 106.8 | 171.2 | -61.2 | 0 | 0 | 0 | 0 | 108.1 | L84 H86 | L84-S92 PolarHBondContact N-O 3.3Å; L84-S92 PolarHBondContact O-N 3.22Å; H86-S92 PolarHBondContact NE2-OG 2.89Å |
| 93 | T | 85.8 | Confident | 86.8 | Confident | 70 Ų | 70 | 87.7 Ų | 87.7 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 138.4 | 174.7 | 47.3 | 0 | 0 | 0 | 0 | 110.9 | S82 Y83 I91 | S82-T93 WeakPolarHBondContact O-CA 3.46Å; Y83-T93 HydrophobicContact CD2-CG2 3.67Å; Y83-T93 HydrophobicContact CE2-CG2 4.37Å; I91-T93 HydrophobicContact CG2-CG2 3.86Å |
| 94 | K | 86.7 | Confident | 87 | Confident | 141 Ų | 141 | 82.9 Ų | 82.9 | 61% | 0.613 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 144.5 | 164.2 | -52.3 | -178.3 | 176.7 | 178.5 | 0 | 108.8 | T81 S82 | T81-K94 WeakPolarHBondContact CA-O 3.36Å; S82-K94 PolarHBondContact N-O 3.32Å; S82-K94 PolarHBondContact O-N 2.9Å; S82-K94 VanDerWaalsContact OG-CB 3.31Å; S82-K94 WeakPolarHBondContact OG-CB 3.41Å; S82-K94 PolarHBondContact OG-N 3.18Å |
| 95 | F | 87.3 | Confident | 87.3 | Confident | 129 Ų | 129 | 84.2 Ų | 84.2 | 57% | 0.566 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.4 | 176.2 | -57.7 | -76 | 0 | 0 | 0 | 107.9 | V79 T81 | V79-F95 HydrophobicContact CG1-CB 4.17Å; V79-F95 HydrophobicContact CG1-CD1 3.9Å; V79-F95 HydrophobicContact CG1-CG 4.49Å; T81-F95 HydrophobicContact CG2-CD1 3.78Å; T81-F95 HydrophobicContact CG2-CE1 3.46Å; T81-F95 VanDerWaalsContact CG2-CE1 3.46Å; T81-F95 HydrophobicContact CG2-CZ 4.34Å; T81-F95 VanDerWaalsContact OG1-CD1 3.31Å; T81-F95 WeakPolarHBondContact OG1-CD1 3.43Å; T81-F95 WeakPolarHBondContact OG1-CE1 3.24Å |
| 96 | E | 83.9 | Confident | 87.5 | Confident | 93 Ų | 93 | 78.9 Ų | 78.9 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.2 | 173.7 | -67.9 | -176.3 | -172.8 | 0 | 0 | 108.4 | E80 | E80-E96 PolarHBondContact N-O 3.31Å; E80-E96 PolarHBondContact O-N 2.75Å |
| 97 | F | 86.7 | Confident | 87.7 | Confident | 120 Ų | 120 | 81.1 Ų | 81.1 | 53% | 0.526 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 130.5 | 174.4 | -64.1 | -74.1 | 0 | 0 | 0 | 108.4 | T68 L77 V79 | T68-F97 WeakPolarHBondContact CG2-O 3.37Å; L77-F97 HydrophobicContact CD1-CB 4.38Å; L77-F97 HydrophobicContact CD1-CD1 4.37Å; L77-F97 HydrophobicContact CD1-CG 4.5Å; L77-F97 HydrophobicContact CD2-CB 4.35Å; V79-F97 HydrophobicContact CG2-CD1 3.93Å; V79-F97 HydrophobicContact CG2-CE1 3.81Å |
| 98 | V | 88.4 | Confident | 88.1 | Confident | 6 Ų | 6 | 71.9 Ų | 71.9 | 4% | 0.036 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 155 | 174.3 | -56.2 | 0 | 0 | 0 | 0 | 110.3 | L64 T68 L77 S78 E80 S100 | L64-V98 HydrophobicContact CB-CG1 4.47Å; T68-V98 HydrophobicContact CG2-CB 4.49Å; L77-V98 CarbonylContact C-O 3.5Å; L77-V98 WeakPolarHBondContact CA-O 3.4Å; S78-V98 PolarHBondContact N-O 3.21Å; S78-V98 PolarHBondContact O-N 3.24Å; S78-V98 VanDerWaalsContact O-O 3.1Å; S78-V98 WeakPolarHBondContact OG-CG2 3.49Å; S78-V98 PolarHBondContact OG-O 3.06Å; E80-V98 HydrophobicContact CG-CG1 4.35Å; E80-V98 HydrophobicContact CG-CG2 3.97Å; V98-S100 PolarHBondContact O-N 2.83Å |
| 99 | P | 88.2 | Confident | 88.1 | Confident | 6 Ų | 6 | 74.9 Ų | 74.9 | 4% | 0.039 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 131.9 | 179.9 | -18.1 | 33.4 | 0 | 0 | 0 | 110 | L67 T68 R117 | L67-P99 HydrophobicContact CB-CG 4.04Å; L67-P99 HydrophobicContact CD1-CG 4.32Å; T68-P99 HydrophobicContact CG2-CG 4.24Å; P99-R117 WeakPolarHBondContact O-CD 3.18Å; P99-R117 PolarHBondContact O-NH1 2.99Å |
| 100 | S | 88.9 | Confident | 88.1 | Confident | 21 Ų | 21 | 75 Ų | 75 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 161.7 | 179.2 | 75.7 | 0 | 0 | 0 | 0 | 111.5 | H76 V98 G102 H104 | H76-S100 WeakPolarHBondContact CB-OG 3.43Å; H76-S100 PolarHBondContact O-N 2.96Å; H76-S100 VanDerWaalsContact O-N 3.07Å; V98-S100 PolarHBondContact O-N 2.83Å; S100-G102 PolarHBondContact O-N 2.8Å; S100-H104 PolarHBondContact O-NE2 3.14Å |
| 101 | P | 89.8 | Confident | 88.2 | Confident | 62 Ų | 62 | 69.9 Ų | 69.9 | 40% | 0.403 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -52.3 | 138 | 166.6 | -25.4 | 35.5 | 0 | 0 | 0 | 111.2 | ||
| 102 | G | 89.8 | Confident | 88.2 | Confident | 31 Ų | 31 | 73 Ų | 73 | 32% | 0.32 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.4 | -164.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | S100 E116 R117 | S100-G102 PolarHBondContact O-N 2.8Å; G102-E116 WeakPolarHBondContact O-CA 3.42Å; G102-R117 PolarHBondContact N-O 3.13Å; G102-R117 PolarHBondContact O-N 3.38Å |
| 103 | N | 89.8 | Confident | 88.5 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 40% | 0.401 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.6 | -175.8 | -71.5 | -60 | 0 | 0 | 0 | 111.5 | R114 V115 E116 | N103-R114 PolarHBondContact ND2-NH2 3.05Å; N103-R114 PolarHBondContact OD1-NE 3.35Å; N103-R114 VanDerWaalsContact OD1-NE 3.09Å; N103-R114 PolarHBondContact OD1-NH2 3.38Å; N103-V115 CarbonylContact C-O 3.58Å; N103-E116 WeakPolarHBondContact OD1-CB 3.43Å; N103-E116 VanDerWaalsContact OD1-CD 3.24Å; N103-E116 WeakPolarHBondContact OD1-CG 3.42Å; N103-E116 PolarHBondContact OD1-OE1 3.02Å |
| 104 | H | 89.8 | Confident | 88.8 | Confident | 21 Ų | 21 | 70.9 Ų | 70.9 | 10% | 0.097 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 153.7 | 177.2 | -55 | -82.8 | 0 | 0 | 0 | 109.7 | H76 S100 R114 V115 | H76-H104 PolarHBondContact O-CE1 3.08Å; S100-H104 PolarHBondContact O-NE2 3.14Å; H104-R114 WeakPolarHBondContact O-CA 3.43Å; H104-V115 HydrophobicContact CB-CB 4.34Å; H104-V115 PolarHBondContact N-O 3.46Å; H104-V115 PolarHBondContact O-N 3.13Å |
| 105 | F | 90 | Very high | 89 | Confident | 135 Ų | 135 | 64.3 Ų | 64.3 | 59% | 0.592 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.8 | 175.7 | -67.2 | -87.3 | 0 | 0 | 0 | 109.3 | W112 R114 | F105-W112 HydrophobicContact CB-CE3 4.28Å; F105-W112 HydrophobicContact CB-CZ3 4.35Å; F105-R114 HydrophobicContact CD1-CB 4.04Å; F105-R114 HydrophobicContact CD1-CG 4.39Å; F105-R114 HydrophobicContact CE1-CB 3.8Å; F105-R114 HydrophobicContact CE1-CG 3.9Å; F105-R114 HydrophobicContact CZ-CG 4.23Å |
| 106 | I | 91 | Very high | 89.3 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 149.6 | 177.6 | 66.3 | 175.3 | 0 | 0 | 0 | 110 | W66 L67 I113 V115 F137 | W66-I106 HydrophobicContact CH2-CD1 4.01Å; W66-I106 HydrophobicContact CZ3-CD1 3.89Å; L67-I106 HydrophobicContact CD2-CD1 3.87Å; L67-I106 HydrophobicContact CD2-CG2 4.11Å; I106-I113 HydrophobicContact CD1-CB 4.28Å; I106-I113 HydrophobicContact CG1-CB 3.78Å; I106-I113 HydrophobicContact CG1-CG2 4.48Å; I106-I113 PolarHBondContact N-O 2.66Å; I106-I113 PolarHBondContact O-N 3.1Å; I106-V115 HydrophobicContact CD1-CG2 3.87Å; I106-V115 HydrophobicContact CG1-CG2 4.02Å; I106-V115 HydrophobicContact CG2-CG2 4.4Å; I106-F137 HydrophobicContact CD1-CE1 4.29Å |
| 107 | W | 89.8 | Confident | 89.6 | Confident | 138 Ų | 138 | 57.7 Ų | 57.7 | 52% | 0.523 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 120.6 | 171.5 | -177.5 | -100.3 | 0 | 0 | 0 | 108.9 | H70 G110 W112 | H70-W107 PolarHBondContact NE2-O 3.49Å; W107-G110 WeakPolarHBondContact CH2-O 3.49Å; W107-W112 HydrophobicContact CB-CE3 4.49Å; W107-W112 HydrophobicContact CB-CZ3 4.3Å; W107-W112 AromaticContact CE3-CD1 3.73Å; W107-W112 AromaticContact CE3-CD2 3.59Å; W107-W112 HydrophobicContact CE3-CD2 3.59Å; W107-W112 AromaticContact CE3-CE2 3.42Å; W107-W112 VanDerWaalsContact CE3-CE2 3.42Å; W107-W112 HydrophobicContact CE3-CE3 4.24Å; W107-W112 AromaticContact CE3-CG 3.77Å; W107-W112 HydrophobicContact CE3-CG 3.77Å; W107-W112 AromaticContact CE3-CZ2 3.93Å; W107-W112 HydrophobicContact CE3-CZ2 3.93Å; W107-W112 AromaticContact CE3-NE1 3.5Å; W107-W112 AromaticContact CZ3-CD1 3.4Å; W107-W112 HydrophobicContact CZ3-CD2 4.1Å; W107-W112 AromaticContact CZ3-CE2 3.71Å; W107-W112 AromaticContact CZ3-CG 3.9Å; W107-W112 HydrophobicContact CZ3-CG 3.9Å; W107-W112 HydrophobicContact CZ3-CZ2 4.42Å; W107-W112 AromaticContact CZ3-NE1 3.25Å |
| 108 | Y | 89.8 | Confident | 89.8 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 122.5 | -177.7 | -178 | -99.3 | 0 | 0 | 0 | 110.5 | W66 H70 G110 K111 I113 V146 N149 I150 E153 | W66-Y108 HydrophobicContact CH2-CD2 4.01Å; W66-Y108 HydrophobicContact CH2-CE2 4.32Å; W66-Y108 AromaticContact CZ2-CD2 3.81Å; W66-Y108 HydrophobicContact CZ2-CD2 3.81Å; W66-Y108 AromaticContact CZ2-CE2 3.74Å; W66-Y108 HydrophobicContact CZ2-CE2 3.74Å; H70-Y108 AromaticContact CE1-CD2 3.85Å; H70-Y108 AromaticContact NE2-CD2 3.8Å; Y108-G110 PolarHBondContact O-N 3.48Å; Y108-G110 VanDerWaalsContact O-N 3.1Å; Y108-K111 PolarHBondContact N-O 2.91Å; Y108-K111 PolarHBondContact O-N 3.4Å; Y108-I113 HydrophobicContact CD1-CD1 4.15Å; Y108-I113 HydrophobicContact CG-CD1 4.37Å; Y108-V146 HydrophobicContact CD1-CG1 3.89Å; Y108-V146 HydrophobicContact CE1-CG1 4.06Å; Y108-N149 WeakPolarHBondContact OH-CB 3.33Å; Y108-I150 HydrophobicContact CD1-CD1 3.9Å; Y108-I150 HydrophobicContact CD1-CG1 3.94Å; Y108-I150 HydrophobicContact CD2-CG1 4.43Å; Y108-I150 HydrophobicContact CE1-CD1 4.03Å; Y108-I150 HydrophobicContact CE1-CG1 3.59Å; Y108-I150 HydrophobicContact CE2-CG1 4.13Å; Y108-I150 HydrophobicContact CG-CD1 4.29Å; Y108-I150 HydrophobicContact CG-CG1 4.34Å; Y108-E153 WeakPolarHBondContact CE2-OE2 3.49Å; Y108-E153 VanDerWaalsContact OH-CD 3.28Å; Y108-E153 PolarHBondContact OH-OE1 3.26Å |
| 109 | R | 87.7 | Confident | 89.6 | Confident | 165 Ų | 165 | 59.7 Ų | 59.7 | 62% | 0.623 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.2 | 45.6 | 179.4 | -59.9 | -172.2 | -175.9 | -167.8 | 6 | 114.1 | N149 E153 | R109-N149 PolarHBondContact NH1-ND2 3.35Å; R109-E153 IonicContact CZ-OE1 3.32Å; R109-E153 IonicContact NE-OE1 3.04Å; R109-E153 IonicContact NH2-OE1 3.82Å; R109-E153 PolarHBondContact NH2-OE1 2.83Å |
| 110 | G | 86.3 | Confident | 89.2 | Confident | 48 Ų | 48 | 64 Ų | 64 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 8.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | W107 Y108 | W107-G110 WeakPolarHBondContact CH2-O 3.49Å; Y108-G110 PolarHBondContact O-N 3.48Å; Y108-G110 VanDerWaalsContact O-N 3.1Å |
| 111 | K | 87.8 | Confident | 88.3 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 30% | 0.296 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.8 | 178.8 | -60.3 | -175.6 | -171.4 | 179.7 | 0 | 111.4 | Y108 V146 | Y108-K111 PolarHBondContact N-O 2.91Å; Y108-K111 PolarHBondContact O-N 3.4Å; K111-V146 HydrophobicContact CD-CG2 4.27Å |
| 112 | W | 89.5 | Confident | 87.2 | Confident | 152 Ų | 152 | 76.8 Ų | 76.8 | 58% | 0.576 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 127.5 | 165.6 | -74 | 108 | 0 | 0 | 0 | 109.7 | F105 W107 | F105-W112 HydrophobicContact CB-CE3 4.28Å; F105-W112 HydrophobicContact CB-CZ3 4.35Å; W107-W112 HydrophobicContact CB-CE3 4.49Å; W107-W112 HydrophobicContact CB-CZ3 4.3Å; W107-W112 AromaticContact CE3-CD1 3.73Å; W107-W112 AromaticContact CE3-CD2 3.59Å; W107-W112 HydrophobicContact CE3-CD2 3.59Å; W107-W112 AromaticContact CE3-CE2 3.42Å; W107-W112 VanDerWaalsContact CE3-CE2 3.42Å; W107-W112 HydrophobicContact CE3-CE3 4.24Å; W107-W112 AromaticContact CE3-CG 3.77Å; W107-W112 HydrophobicContact CE3-CG 3.77Å; W107-W112 AromaticContact CE3-CZ2 3.93Å; W107-W112 HydrophobicContact CE3-CZ2 3.93Å; W107-W112 AromaticContact CE3-NE1 3.5Å; W107-W112 AromaticContact CZ3-CD1 3.4Å; W107-W112 HydrophobicContact CZ3-CD2 4.1Å; W107-W112 AromaticContact CZ3-CE2 3.71Å; W107-W112 AromaticContact CZ3-CG 3.9Å; W107-W112 HydrophobicContact CZ3-CG 3.9Å; W107-W112 HydrophobicContact CZ3-CZ2 4.42Å; W107-W112 AromaticContact CZ3-NE1 3.25Å |
| 113 | I | 91.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 124.6 | 174.8 | -51.7 | 179 | 0 | 0 | 0 | 107.4 | I106 Y108 V115 F137 A139 V146 F147 I150 | I106-I113 HydrophobicContact CD1-CB 4.28Å; I106-I113 HydrophobicContact CG1-CB 3.78Å; I106-I113 HydrophobicContact CG1-CG2 4.48Å; I106-I113 PolarHBondContact N-O 2.66Å; I106-I113 PolarHBondContact O-N 3.1Å; Y108-I113 HydrophobicContact CD1-CD1 4.15Å; Y108-I113 HydrophobicContact CG-CD1 4.37Å; I113-V115 HydrophobicContact CG2-CG2 4.46Å; I113-F137 HydrophobicContact CG2-CB 4.17Å; I113-F137 HydrophobicContact CG2-CD1 4Å; I113-A139 HydrophobicContact CG1-CB 4.09Å; I113-A139 HydrophobicContact CG2-CB 4.4Å; I113-V146 HydrophobicContact CD1-CG1 3.93Å; I113-F147 HydrophobicContact CG2-CE1 4.36Å; I113-I150 HydrophobicContact CD1-CD1 3.61Å |
| 114 | R | 91.4 | Very high | 85.2 | Confident | 62 Ų | 62 | 82.1 Ų | 82.1 | 23% | 0.234 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128 | 170.5 | 177.8 | -179.8 | 172 | -153.1 | -7.9 | 108.2 | N103 H104 F105 E116 F137 T138 | N103-R114 PolarHBondContact ND2-NH2 3.05Å; N103-R114 PolarHBondContact OD1-NE 3.35Å; N103-R114 VanDerWaalsContact OD1-NE 3.09Å; N103-R114 PolarHBondContact OD1-NH2 3.38Å; H104-R114 WeakPolarHBondContact O-CA 3.43Å; F105-R114 HydrophobicContact CD1-CB 4.04Å; F105-R114 HydrophobicContact CD1-CG 4.39Å; F105-R114 HydrophobicContact CE1-CB 3.8Å; F105-R114 HydrophobicContact CE1-CG 3.9Å; F105-R114 HydrophobicContact CZ-CG 4.23Å; R114-E116 IonicContact CZ-OE2 2.75Å; R114-E116 IonicContact NE-OE2 3.26Å; R114-E116 VanDerWaalsContact NH2-CD 3.31Å; R114-E116 IonicContact NH2-OE1 3.45Å; R114-E116 PolarHBondContact NH2-OE1 3.46Å; R114-E116 IonicContact NH2-OE2 3.49Å; R114-E116 PolarHBondContact NH2-OE2 3.44Å; R114-F137 CarbonylContact O-C 3.43Å; R114-F137 WeakPolarHBondContact O-CA 3.48Å; R114-T138 PolarHBondContact N-O 3.08Å; R114-T138 PolarHBondContact O-N 3.38Å |
| 115 | V | 92.3 | Very high | 84 | Confident | 3 Ų | 3 | 82.1 Ų | 82.1 | 2% | 0.018 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.7 | 176.6 | -174.2 | 0 | 0 | 0 | 0 | 107.7 | L67 N103 H104 I106 I113 V135 T136 F137 | L67-V115 HydrophobicContact CD1-CG1 3.91Å; L67-V115 HydrophobicContact CD2-CG1 4.47Å; L67-V115 HydrophobicContact CD2-CG2 4.13Å; N103-V115 CarbonylContact C-O 3.58Å; H104-V115 HydrophobicContact CB-CB 4.34Å; H104-V115 PolarHBondContact N-O 3.46Å; H104-V115 PolarHBondContact O-N 3.13Å; I106-V115 HydrophobicContact CD1-CG2 3.87Å; I106-V115 HydrophobicContact CG1-CG2 4.02Å; I106-V115 HydrophobicContact CG2-CG2 4.4Å; I113-V115 HydrophobicContact CG2-CG2 4.46Å; V115-V135 HydrophobicContact CG1-CG1 3.71Å; V115-T136 CarbonylContact C-O 3.49Å; V115-T136 WeakPolarHBondContact CA-O 3.41Å; V115-F137 HydrophobicContact CG1-CD1 4.39Å; V115-F137 HydrophobicContact CG1-CE1 4.12Å; V115-F137 HydrophobicContact CG1-CZ 4.18Å; V115-F137 HydrophobicContact CG2-CD1 3.6Å; V115-F137 HydrophobicContact CG2-CE1 3.62Å; V115-F137 HydrophobicContact CG2-CG 4.44Å; V115-F137 HydrophobicContact CG2-CZ 4.48Å |
| 116 | E | 92.4 | Very high | 82.9 | Confident | 65 Ų | 65 | 84 Ų | 84 | 30% | 0.304 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 115.2 | -179.7 | -179.3 | 161 | -156.8 | 0 | 0 | 108.9 | G102 N103 R114 V135 T136 | G102-E116 WeakPolarHBondContact O-CA 3.42Å; N103-E116 WeakPolarHBondContact OD1-CB 3.43Å; N103-E116 VanDerWaalsContact OD1-CD 3.24Å; N103-E116 WeakPolarHBondContact OD1-CG 3.42Å; N103-E116 PolarHBondContact OD1-OE1 3.02Å; R114-E116 IonicContact CZ-OE2 2.75Å; R114-E116 IonicContact NE-OE2 3.26Å; R114-E116 VanDerWaalsContact NH2-CD 3.31Å; R114-E116 IonicContact NH2-OE1 3.45Å; R114-E116 PolarHBondContact NH2-OE1 3.46Å; R114-E116 IonicContact NH2-OE2 3.49Å; R114-E116 PolarHBondContact NH2-OE2 3.44Å; E116-V135 CarbonylContact O-C 3.55Å; E116-V135 WeakPolarHBondContact O-CA 3.49Å; E116-T136 PolarHBondContact N-O 3.19Å; E116-T136 PolarHBondContact O-N 2.96Å |
| 117 | R | 91.4 | Very high | 81.7 | Confident | 18 Ų | 18 | 92.2 Ų | 92.2 | 7% | 0.068 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 110.1 | 172.2 | -179 | 179.1 | 175.5 | -163.6 | 1.9 | 108.3 | Y60 S78 P99 G102 E133 S134 V135 | Y60-R117 PolarHBondContact OH-NE 2.95Å; Y60-R117 VanDerWaalsContact OH-NE 3.13Å; S78-R117 PolarHBondContact OG-NH1 3.44Å; P99-R117 WeakPolarHBondContact O-CD 3.18Å; P99-R117 PolarHBondContact O-NH1 2.99Å; G102-R117 PolarHBondContact N-O 3.13Å; G102-R117 PolarHBondContact O-N 3.38Å; R117-E133 IonicContact CZ-OE2 3.43Å; R117-E133 IonicContact NE-OE2 2.72Å; R117-E133 PolarHBondContact NE-OE2 2.91Å; R117-E133 IonicContact NH2-OE1 3.6Å; R117-E133 IonicContact NH2-OE2 2.77Å; R117-E133 PolarHBondContact NH2-OE2 3.18Å; R117-S134 WeakPolarHBondContact CA-O 3.39Å; R117-V135 HydrophobicContact CB-CG2 4.07Å; R117-V135 HydrophobicContact CG-CG2 4Å |
| 118 | S | 89.4 | Confident | 80.5 | Confident | 47 Ų | 47 | 89.6 Ų | 89.6 | 33% | 0.329 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 146.1 | 178 | -170.7 | 0 | 0 | 0 | 0 | 110.7 | E133 S134 | S118-E133 WeakPolarHBondContact O-CA 3.47Å; S118-S134 PolarHBondContact N-O 3.26Å; S118-S134 PolarHBondContact O-N 3.17Å |
| 119 | R | 84.8 | Confident | 79.6 | Confident | 122 Ų | 122 | 92 Ų | 92 | 46% | 0.46 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 113.2 | 173.6 | -173.5 | 174.5 | -167.8 | -164.1 | 3 | 108.4 | P131 W132 E133 | R119-P131 HydrophobicContact CG-CB 3.87Å; R119-W132 CarbonylContact C-O 3.55Å; R119-W132 WeakPolarHBondContact CA-O 3.3Å; R119-E133 HydrophobicContact CB-CG 4.1Å; R119-E133 WeakPolarHBondContact CD-OE1 3.41Å; R119-E133 HydrophobicContact CG-CG 3.8Å; R119-E133 IonicContact CZ-OE1 3.91Å; R119-E133 IonicContact NE-OE1 3.3Å; R119-E133 PolarHBondContact NE-OE1 3.28Å |
| 120 | E | 80.7 | Confident | 78.8 | Confident | 95 Ų | 95 | 87.5 Ų | 87.5 | 44% | 0.444 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115.3 | 178.6 | -66.1 | -170.5 | 169.6 | 0 | 0 | 110.1 | Q122 P131 W132 | E120-Q122 VanDerWaalsContact C-N 3.3Å; E120-Q122 PolarHBondContact O-N 3.39Å; E120-P131 WeakPolarHBondContact O-CB 3.1Å; E120-W132 HydrophobicContact CB-CB 4.36Å; E120-W132 PolarHBondContact N-O 2.76Å |
| 121 | M | 68.8 | Low | 78.3 | Confident | 162 Ų | 162 | 86.4 Ų | 86.4 | 80% | 0.798 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -15.6 | -176.5 | -69.2 | -176.4 | 136.6 | 0 | 0 | 114.2 | ||
| 122 | Q | 68 | Low | 77.9 | Confident | 190 Ų | 190 | 86.2 Ų | 86.2 | 89% | 0.888 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -21.5 | -172.3 | -66.4 | -176.9 | -3.5 | 0 | 0 | 113.5 | E120 | E120-Q122 VanDerWaalsContact C-N 3.3Å; E120-Q122 PolarHBondContact O-N 3.39Å |
| 123 | M | 66.6 | Low | 77.8 | Confident | 103 Ų | 103 | 80.1 Ų | 80.1 | 51% | 0.507 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 112.9 | 178.5 | -64.2 | -142.9 | -67.8 | 0 | 0 | 109.4 | W132 | M123-W132 HydrophobicContact CB-CB 4.29Å; M123-W132 PolarHBondContact O-N 3.29Å |
| 124 | I | 71.1 | Confident | 77.8 | Confident | 116 Ų | 116 | 80.5 Ų | 80.5 | 60% | 0.595 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129.3 | 173.5 | -58.8 | 174.2 | 0 | 0 | 0 | 107.2 | L126 | I124-L126 PolarHBondContact O-N 3.38Å |
| 125 | D | 64.5 | Low | 78 | Confident | 21 Ų | 21 | 77.6 Ų | 77.6 | 11% | 0.112 | 40% | 0.4 | C | S | . | . | trans | -70.8 | 124.7 | 173.8 | -174.8 | 44.6 | 0 | 0 | 0 | 110 | R56 Q127 T128 G129 T130 | R56-D125 IonicContact CZ-OD1 2.84Å; R56-D125 IonicContact NE-OD1 3.49Å; R56-D125 PolarHBondContact NE-OD1 2.87Å; R56-D125 IonicContact NH2-OD1 2.75Å; R56-D125 PolarHBondContact NH2-OD1 3.11Å; D125-Q127 PolarHBondContact O-N 3.42Å; D125-Q127 VanDerWaalsContact O-N 3.16Å; D125-T128 PolarHBondContact O-N 3.32Å; D125-T128 PolarHBondContact OD2-OG1 3.31Å; D125-T128 VanDerWaalsContact OD2-OG1 3.04Å; D125-G129 WeakPolarHBondContact O-CA 3.48Å; D125-G129 PolarHBondContact O-N 3.49Å; D125-T130 PolarHBondContact N-O 2.99Å | ||
| 126 | L | 66.1 | Low | 78 | Confident | 175 Ų | 175 | 78.8 Ų | 78.8 | 92% | 0.916 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -24.5 | -170.9 | -155.3 | 83.3 | 0 | 0 | 0 | 112.8 | I124 | I124-L126 PolarHBondContact O-N 3.38Š|
| 127 | Q | 65.7 | Low | 78.1 | Confident | 180 Ų | 180 | 75.7 Ų | 75.7 | 84% | 0.841 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -38.7 | -176.6 | -67.9 | -175.8 | -14.2 | 0 | 0 | 113.3 | D125 | D125-Q127 PolarHBondContact O-N 3.42Å; D125-Q127 VanDerWaalsContact O-N 3.16Å |
| 128 | T | 65.7 | Low | 78.1 | Confident | 83 Ų | 83 | 76 Ų | 76 | 51% | 0.509 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -15.7 | -174.1 | 57 | 0 | 0 | 0 | 0 | 113.1 | D125 T130 | D125-T128 PolarHBondContact O-N 3.32Å; D125-T128 PolarHBondContact OD2-OG1 3.31Å; D125-T128 VanDerWaalsContact OD2-OG1 3.04Å; T128-T130 PolarHBondContact O-N 3.36Å; T128-T130 VanDerWaalsContact O-N 3.12Å; T128-T130 PolarHBondContact OG1-N 3.31Å; T128-T130 PolarHBondContact OG1-OG1 3.11Å |
| 129 | G | 69.6 | Low | 78.2 | Confident | 57 Ų | 57 | 74.1 Ų | 74.1 | 59% | 0.588 | 38% | 0.383 | S | S | * | . | trans | 63.8 | 11.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D125 | D125-G129 WeakPolarHBondContact O-CA 3.48Å; D125-G129 PolarHBondContact O-N 3.49Å | ||
| 130 | T | 71.3 | Confident | 78.4 | Confident | 70 Ų | 70 | 73 Ų | 73 | 43% | 0.429 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 144.3 | 179.1 | 64.1 | 0 | 0 | 0 | 0 | 110.2 | D125 T128 | D125-T130 PolarHBondContact N-O 2.99Å; T128-T130 PolarHBondContact O-N 3.36Å; T128-T130 VanDerWaalsContact O-N 3.12Å; T128-T130 PolarHBondContact OG1-N 3.31Å; T128-T130 PolarHBondContact OG1-OG1 3.11Å |
| 131 | P | 75.9 | Confident | 78.6 | Confident | 25 Ų | 25 | 70 Ų | 70 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 148.7 | 171.1 | -22.9 | 36.4 | 0 | 0 | 0 | 110.3 | R119 E120 E133 | R119-P131 HydrophobicContact CG-CB 3.87Å; E120-P131 WeakPolarHBondContact O-CB 3.1Å; P131-E133 PolarHBondContact O-N 2.85Å |
| 132 | W | 79.7 | Confident | 79.2 | Confident | 64 Ų | 64 | 67.8 Ų | 67.8 | 24% | 0.242 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 123.8 | 175.8 | -172.4 | -82.3 | 0 | 0 | 0 | 110.6 | P54 R56 R119 E120 M123 | P54-W132 HydrophobicContact CB-CZ2 3.98Å; R56-W132 HydrophobicContact CG-CH2 4.41Å; R56-W132 HydrophobicContact CG-CZ3 4.37Å; R119-W132 CarbonylContact C-O 3.55Å; R119-W132 WeakPolarHBondContact CA-O 3.3Å; E120-W132 HydrophobicContact CB-CB 4.36Å; E120-W132 PolarHBondContact N-O 2.76Å; M123-W132 HydrophobicContact CB-CB 4.29Å; M123-W132 PolarHBondContact O-N 3.29Å |
| 133 | E | 87.8 | Confident | 80 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 12% | 0.117 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 144.3 | 176.5 | -70.5 | -174.7 | -177.4 | 0 | 0 | 110.3 | A55 Y60 R117 S118 R119 P131 | A55-E133 HydrophobicContact CB-CB 3.9Å; A55-E133 WeakPolarHBondContact CB-O 3.37Å; A55-E133 PolarHBondContact N-O 2.75Å; Y60-E133 PolarHBondContact OH-OE2 2.99Å; R117-E133 IonicContact CZ-OE2 3.43Å; R117-E133 IonicContact NE-OE2 2.72Å; R117-E133 PolarHBondContact NE-OE2 2.91Å; R117-E133 IonicContact NH2-OE1 3.6Å; R117-E133 IonicContact NH2-OE2 2.77Å; R117-E133 PolarHBondContact NH2-OE2 3.18Å; S118-E133 WeakPolarHBondContact O-CA 3.47Å; R119-E133 HydrophobicContact CB-CG 4.1Å; R119-E133 WeakPolarHBondContact CD-OE1 3.41Å; R119-E133 HydrophobicContact CG-CG 3.8Å; R119-E133 IonicContact CZ-OE1 3.91Å; R119-E133 IonicContact NE-OE1 3.3Å; R119-E133 PolarHBondContact NE-OE1 3.28Å; P131-E133 PolarHBondContact O-N 2.85Å |
| 134 | S | 91.8 | Very high | 81 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 5% | 0.049 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 149.9 | 170.2 | 69.3 | 0 | 0 | 0 | 0 | 111 | E52 V53 R117 S118 | E52-S134 WeakPolarHBondContact OE1-CB 3.22Å; E52-S134 PolarHBondContact OE1-OG 2.91Å; E52-S134 VanDerWaalsContact OE1-OG 3.11Å; V53-S134 WeakPolarHBondContact O-CA 3.31Å; R117-S134 WeakPolarHBondContact CA-O 3.39Å; S118-S134 PolarHBondContact N-O 3.26Å; S118-S134 PolarHBondContact O-N 3.17Å |
| 135 | V | 93.6 | Very high | 81.9 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.2 | 172.3 | 170.8 | 0 | 0 | 0 | 0 | 108.4 | V53 Y60 L64 V115 E116 R117 F137 | V53-V135 PolarHBondContact N-O 3.03Å; V53-V135 PolarHBondContact O-N 2.75Å; Y60-V135 HydrophobicContact CD2-CB 4.43Å; Y60-V135 HydrophobicContact CD2-CG2 4.1Å; Y60-V135 HydrophobicContact CE2-CB 4.17Å; Y60-V135 HydrophobicContact CE2-CG2 3.46Å; Y60-V135 VanDerWaalsContact CE2-CG2 3.46Å; L64-V135 HydrophobicContact CD2-CG2 3.94Å; V115-V135 HydrophobicContact CG1-CG1 3.71Å; E116-V135 CarbonylContact O-C 3.55Å; E116-V135 WeakPolarHBondContact O-CA 3.49Å; R117-V135 HydrophobicContact CB-CG2 4.07Å; R117-V135 HydrophobicContact CG-CG2 4Å; V135-F137 HydrophobicContact CG1-CD2 3.9Å; V135-F137 HydrophobicContact CG1-CE2 3.38Å; V135-F137 HydrophobicContact CG1-CZ 4.03Å |
| 136 | T | 94.2 | Very high | 83.2 | Confident | 27 Ų | 27 | 66.8 Ų | 66.8 | 17% | 0.166 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.7 | 179.2 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | L51 V115 E116 | L51-T136 CarbonylContact O-C 3.6Å; L51-T136 VanDerWaalsContact O-CA 3.31Å; L51-T136 WeakPolarHBondContact O-CA 3.42Å; V115-T136 CarbonylContact C-O 3.49Å; V115-T136 WeakPolarHBondContact CA-O 3.41Å; E116-T136 PolarHBondContact N-O 3.19Å; E116-T136 PolarHBondContact O-N 2.96Å |
| 137 | F | 93.1 | Very high | 84.4 | Confident | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 123 | 172 | -67.8 | -102.8 | 0 | 0 | 0 | 109.6 | T50 L51 L63 W66 L67 I106 I113 R114 V115 V135 F147 | T50-F137 CarbonylContact C-O 3.58Å; T50-F137 VanDerWaalsContact CA-O 3.23Å; T50-F137 WeakPolarHBondContact CA-O 3.02Å; L51-F137 HydrophobicContact CB-CB 4.43Å; L51-F137 PolarHBondContact N-O 3.36Å; L51-F137 PolarHBondContact O-N 2.98Å; L63-F137 HydrophobicContact CD1-CE2 4.04Å; L63-F137 HydrophobicContact CD2-CE2 4.27Å; L63-F137 HydrophobicContact CD2-CZ 4.09Å; W66-F137 HydrophobicContact CZ3-CE1 4.4Å; L67-F137 HydrophobicContact CD1-CE1 4.42Å; L67-F137 HydrophobicContact CD1-CZ 3.91Å; L67-F137 HydrophobicContact CD2-CE1 4Å; L67-F137 HydrophobicContact CD2-CZ 4.25Å; L67-F137 HydrophobicContact CG-CE1 4.44Å; L67-F137 HydrophobicContact CG-CZ 4.21Å; I106-F137 HydrophobicContact CD1-CE1 4.29Å; I113-F137 HydrophobicContact CG2-CB 4.17Å; I113-F137 HydrophobicContact CG2-CD1 4Å; R114-F137 CarbonylContact O-C 3.43Å; R114-F137 WeakPolarHBondContact O-CA 3.48Å; V115-F137 HydrophobicContact CG1-CD1 4.39Å; V115-F137 HydrophobicContact CG1-CE1 4.12Å; V115-F137 HydrophobicContact CG1-CZ 4.18Å; V115-F137 HydrophobicContact CG2-CD1 3.6Å; V115-F137 HydrophobicContact CG2-CE1 3.62Å; V115-F137 HydrophobicContact CG2-CG 4.44Å; V115-F137 HydrophobicContact CG2-CZ 4.48Å; V135-F137 HydrophobicContact CG1-CD2 3.9Å; V135-F137 HydrophobicContact CG1-CE2 3.38Å; V135-F137 HydrophobicContact CG1-CZ 4.03Å; F137-F147 HydrophobicContact CB-CD1 4.16Å; F137-F147 HydrophobicContact CB-CE1 3.59Å; F137-F147 HydrophobicContact CB-CZ 4.21Å |
| 138 | T | 92.3 | Very high | 85.7 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 14% | 0.141 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 119.4 | 176.5 | -52.8 | 0 | 0 | 0 | 0 | 109.7 | M48 I49 T50 R114 | M48-T138 HydrophobicContact CB-CG2 4.14Å; M48-T138 HydrophobicContact CG-CG2 4.47Å; M48-T138 HydrophobicContact SD-CG2 3.98Å; I49-T138 WeakPolarHBondContact O-CA 3.37Å; T50-T138 HydrophobicContact CG2-CG2 3.95Å; R114-T138 PolarHBondContact N-O 3.08Å; R114-T138 PolarHBondContact O-N 3.38Å |
| 139 | A | 91.4 | Very high | 87 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 7% | 0.066 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 151.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | M48 I49 I113 F147 | M48-A139 VanDerWaalsContact CA-O 3.32Å; M48-A139 WeakPolarHBondContact CA-O 3.21Å; I49-A139 PolarHBondContact N-O 3.37Å; I49-A139 VanDerWaalsContact N-O 3.09Å; I49-A139 PolarHBondContact O-N 2.64Å; I113-A139 HydrophobicContact CG1-CB 4.09Å; I113-A139 HydrophobicContact CG2-CB 4.4Å; A139-F147 HydrophobicContact CB-CE1 4.17Å; A139-F147 HydrophobicContact CB-CZ 3.73Å |
| 140 | L | 88.4 | Confident | 88.1 | Confident | 98 Ų | 98 | 52.3 Ų | 52.3 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 135.1 | 170 | -76.5 | 169 | 0 | 0 | 0 | 110.7 | F43 M48 | F43-L140 HydrophobicContact CZ-CD2 4.3Å; M48-L140 HydrophobicContact CE-CD2 3.61Å; M48-L140 HydrophobicContact CE-CG 4.46Å; M48-L140 HydrophobicContact CG-CD2 4.06Å |
| 141 | G | 84.4 | Confident | 89.2 | Confident | 32 Ų | 32 | 51.3 Ų | 51.3 | 33% | 0.33 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 105.6 | -178.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y47 I49 | Y47-G141 PolarHBondContact O-N 3.13Å; I49-G141 WeakPolarHBondContact CG1-O 2.99Å |
| 142 | T | 82.1 | Confident | 90.1 | Very high | 117 Ų | 117 | 54.8 Ų | 54.8 | 72% | 0.718 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -112.2 | 8 | -173.3 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | I49 R144 | I49-T142 VanDerWaalsContact CD1-O 3.26Å; I49-T142 WeakPolarHBondContact CD1-O 3.21Å; T142-R144 PolarHBondContact O-N 3.1Å |
| 143 | D | 85.1 | Confident | 90.7 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 38% | 0.38 | 27% | 0.273 | S | S | . | . | trans | -89.3 | 101.7 | -178.4 | -174.1 | 13.5 | 0 | 0 | 0 | 112.6 | K145 | D143-K145 PolarHBondContact O-N 2.91Å; D143-K145 WeakPolarHBondContact OD1-CB 3.33Å; D143-K145 VanDerWaalsContact OD1-CG 3.27Å; D143-K145 WeakPolarHBondContact OD1-CG 3.06Å; D143-K145 PolarHBondContact OD1-N 3.47Å | ||
| 144 | R | 87.6 | Confident | 91 | Very high | 181 Ų | 181 | 53.1 Ų | 53.1 | 68% | 0.683 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.5 | 174.1 | 61.7 | -177.8 | 169.4 | 174.8 | -3.7 | 114.3 | T142 V146 F147 F148 | T142-R144 PolarHBondContact O-N 3.1Å; R144-V146 PolarHBondContact O-N 3.28Å; R144-F147 PolarHBondContact O-N 3.32Å; R144-F147 VanDerWaalsContact O-N 3.14Å; R144-F148 HydrophobicContact CG-CE2 4.29Å; R144-F148 WeakPolarHBondContact O-CD2 3.42Å; R144-F148 PolarHBondContact O-N 3.43Å |
| 145 | K | 90.2 | Very high | 90.9 | Very high | 143 Ų | 143 | 57.8 Ų | 57.8 | 62% | 0.622 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.1 | -27.8 | -179 | -64.8 | 178.8 | 178 | -176.8 | 0 | 112.1 | D143 F147 F148 N149 | D143-K145 PolarHBondContact O-N 2.91Å; D143-K145 WeakPolarHBondContact OD1-CB 3.33Å; D143-K145 VanDerWaalsContact OD1-CG 3.27Å; D143-K145 WeakPolarHBondContact OD1-CG 3.06Å; D143-K145 PolarHBondContact OD1-N 3.47Å; K145-F147 VanDerWaalsContact C-N 3.31Å; K145-F147 PolarHBondContact O-N 3.16Å; K145-F148 PolarHBondContact O-N 3.21Å; K145-N149 PolarHBondContact O-N 3.06Å; K145-N149 PolarHBondContact O-ND2 3.04Å |
| 146 | V | 91 | Very high | 90.7 | Very high | 13 Ų | 13 | 61.9 Ų | 61.9 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.1 | -45.3 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | Y108 K111 I113 R144 N149 I150 | Y108-V146 HydrophobicContact CD1-CG1 3.89Å; Y108-V146 HydrophobicContact CE1-CG1 4.06Å; K111-V146 HydrophobicContact CD-CG2 4.27Å; I113-V146 HydrophobicContact CD1-CG1 3.93Å; R144-V146 PolarHBondContact O-N 3.28Å; V146-N149 PolarHBondContact O-N 3.06Å; V146-I150 HydrophobicContact CG1-CD1 4.26Å; V146-I150 WeakPolarHBondContact O-CG1 3.48Å; V146-I150 PolarHBondContact O-N 2.9Å |
| 147 | F | 92 | Very high | 90.5 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 5% | 0.053 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74.3 | -35 | -178.9 | -64 | -45.3 | 0 | 0 | 0 | 113.1 | I49 L51 I113 F137 A139 R144 K145 N149 I150 L151 | I49-F147 HydrophobicContact CB-CE2 3.86Å; I49-F147 HydrophobicContact CG2-CD2 4.08Å; I49-F147 HydrophobicContact CG2-CE2 3.54Å; L51-F147 HydrophobicContact CB-CD1 4.32Å; L51-F147 HydrophobicContact CB-CD2 3.95Å; L51-F147 HydrophobicContact CB-CE2 4.2Å; L51-F147 HydrophobicContact CB-CG 4.02Å; L51-F147 HydrophobicContact CD2-CB 3.93Å; L51-F147 HydrophobicContact CD2-CD1 4.44Å; L51-F147 HydrophobicContact CD2-CG 4.19Å; I113-F147 HydrophobicContact CG2-CE1 4.36Å; F137-F147 HydrophobicContact CB-CD1 4.16Å; F137-F147 HydrophobicContact CB-CE1 3.59Å; F137-F147 HydrophobicContact CB-CZ 4.21Å; A139-F147 HydrophobicContact CB-CE1 4.17Å; A139-F147 HydrophobicContact CB-CZ 3.73Å; R144-F147 PolarHBondContact O-N 3.32Å; R144-F147 VanDerWaalsContact O-N 3.14Å; K145-F147 VanDerWaalsContact C-N 3.31Å; K145-F147 PolarHBondContact O-N 3.16Å; F147-N149 VanDerWaalsContact C-N 3.33Å; F147-N149 PolarHBondContact O-N 3.24Å; F147-I150 HydrophobicContact CD1-CD1 4.35Å; F147-I150 PolarHBondContact O-N 3.01Å; F147-L151 WeakPolarHBondContact O-CG 3.42Å; F147-L151 PolarHBondContact O-N 3.35Å |
| 148 | F | 92.3 | Very high | 90.1 | Very high | 130 Ų | 130 | 61.8 Ų | 61.8 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58.8 | -45.8 | 171.8 | -79 | -71.2 | 0 | 0 | 0 | 111.5 | R144 K145 I150 L151 E152 | R144-F148 HydrophobicContact CG-CE2 4.29Å; R144-F148 WeakPolarHBondContact O-CD2 3.42Å; R144-F148 PolarHBondContact O-N 3.43Å; K145-F148 PolarHBondContact O-N 3.21Å; F148-I150 VanDerWaalsContact C-N 3.34Å; F148-I150 PolarHBondContact O-N 2.82Å; F148-L151 PolarHBondContact O-N 3.44Å; F148-E152 WeakPolarHBondContact O-CB 3.4Å; F148-E152 PolarHBondContact O-N 3.1Å |
| 149 | N | 93.3 | Very high | 89.6 | Confident | 46 Ų | 46 | 65 Ų | 65 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | 177.5 | -62.1 | -28.6 | 0 | 0 | 0 | 112.2 | Y108 R109 K145 V146 F147 E152 E153 | Y108-N149 WeakPolarHBondContact OH-CB 3.33Å; R109-N149 PolarHBondContact NH1-ND2 3.35Å; K145-N149 PolarHBondContact O-N 3.06Å; K145-N149 PolarHBondContact O-ND2 3.04Å; V146-N149 PolarHBondContact O-N 3.06Å; F147-N149 VanDerWaalsContact C-N 3.33Å; F147-N149 PolarHBondContact O-N 3.24Å; N149-E152 PolarHBondContact O-N 3Å; N149-E153 WeakPolarHBondContact O-CB 3.44Å; N149-E153 WeakPolarHBondContact O-CG 3.49Å; N149-E153 PolarHBondContact O-N 3.48Å |
| 150 | I | 93.5 | Very high | 89.1 | Confident | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.015 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 176.8 | -69.1 | 170.2 | 0 | 0 | 0 | 110.8 | L63 W66 Y108 I113 V146 F147 F148 E152 A154 | L63-I150 HydrophobicContact CD2-CG2 3.73Å; W66-I150 HydrophobicContact CD2-CG2 4.27Å; W66-I150 HydrophobicContact CE3-CG2 3.93Å; W66-I150 HydrophobicContact CH2-CB 4.43Å; W66-I150 HydrophobicContact CH2-CD1 4.19Å; W66-I150 HydrophobicContact CH2-CG1 3.9Å; W66-I150 HydrophobicContact CH2-CG2 3.79Å; W66-I150 HydrophobicContact CZ2-CG1 4.12Å; W66-I150 HydrophobicContact CZ2-CG2 4.12Å; W66-I150 HydrophobicContact CZ3-CG2 3.68Å; Y108-I150 HydrophobicContact CD1-CD1 3.9Å; Y108-I150 HydrophobicContact CD1-CG1 3.94Å; Y108-I150 HydrophobicContact CD2-CG1 4.43Å; Y108-I150 HydrophobicContact CE1-CD1 4.03Å; Y108-I150 HydrophobicContact CE1-CG1 3.59Å; Y108-I150 HydrophobicContact CE2-CG1 4.13Å; Y108-I150 HydrophobicContact CG-CD1 4.29Å; Y108-I150 HydrophobicContact CG-CG1 4.34Å; I113-I150 HydrophobicContact CD1-CD1 3.61Å; V146-I150 HydrophobicContact CG1-CD1 4.26Å; V146-I150 WeakPolarHBondContact O-CG1 3.48Å; V146-I150 PolarHBondContact O-N 2.9Å; F147-I150 HydrophobicContact CD1-CD1 4.35Å; F147-I150 PolarHBondContact O-N 3.01Å; F148-I150 VanDerWaalsContact C-N 3.34Å; F148-I150 PolarHBondContact O-N 2.82Å; I150-E152 VanDerWaalsContact C-N 3.32Å; I150-E152 PolarHBondContact O-N 3.39Å; I150-A154 VanDerWaalsContact O-CB 3.27Å; I150-A154 WeakPolarHBondContact O-CB 3.3Å; I150-A154 PolarHBondContact O-N 3.31Å |
| 151 | L | 93.7 | Very high | 88.4 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 26% | 0.262 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 177.2 | -74.3 | 167.6 | 0 | 0 | 0 | 111.7 | L51 L63 F147 F148 A154 R155 | L51-L151 HydrophobicContact CD2-CD1 4.01Å; L51-L151 HydrophobicContact CD2-CG 4.31Å; L63-L151 HydrophobicContact CD1-CD2 3.84Å; L63-L151 HydrophobicContact CD2-CD2 4.1Å; L63-L151 HydrophobicContact CG-CD2 4.2Å; F147-L151 WeakPolarHBondContact O-CG 3.42Å; F147-L151 PolarHBondContact O-N 3.35Å; F148-L151 PolarHBondContact O-N 3.44Å; L151-A154 PolarHBondContact O-N 3Å; L151-R155 WeakPolarHBondContact O-CB 3.42Å; L151-R155 PolarHBondContact O-N 3.16Å |
| 152 | E | 93.8 | Very high | 87.8 | Confident | 98 Ų | 98 | 77.6 Ų | 77.6 | 46% | 0.458 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.9 | -47.5 | 177.7 | -173.2 | 165.1 | -145.3 | 0 | 0 | 111.8 | F148 N149 I150 A154 R155 E156 | F148-E152 WeakPolarHBondContact O-CB 3.4Å; F148-E152 PolarHBondContact O-N 3.1Å; N149-E152 PolarHBondContact O-N 3Å; I150-E152 VanDerWaalsContact C-N 3.32Å; I150-E152 PolarHBondContact O-N 3.39Å; E152-A154 VanDerWaalsContact C-N 3.31Å; E152-A154 PolarHBondContact O-N 3.08Å; E152-R155 WeakPolarHBondContact O-CB 3.41Å; E152-R155 PolarHBondContact O-N 3.14Å; E152-E156 WeakPolarHBondContact O-CG 3.3Å; E152-E156 PolarHBondContact O-N 2.89Å |
| 153 | E | 94.2 | Very high | 87.2 | Confident | 52 Ų | 52 | 78 Ų | 78 | 24% | 0.243 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 174.6 | -73.8 | 176 | -155.9 | 0 | 0 | 111.9 | W66 Y108 R109 N149 E156 L157 | W66-E153 PolarHBondContact NE1-OE2 3.02Å; Y108-E153 WeakPolarHBondContact CE2-OE2 3.49Å; Y108-E153 VanDerWaalsContact OH-CD 3.28Å; Y108-E153 PolarHBondContact OH-OE1 3.26Å; R109-E153 IonicContact CZ-OE1 3.32Å; R109-E153 IonicContact NE-OE1 3.04Å; R109-E153 IonicContact NH2-OE1 3.82Å; R109-E153 PolarHBondContact NH2-OE1 2.83Å; N149-E153 WeakPolarHBondContact O-CB 3.44Å; N149-E153 WeakPolarHBondContact O-CG 3.49Å; N149-E153 PolarHBondContact O-N 3.48Å; E153-E156 PolarHBondContact O-N 3.02Å; E153-L157 WeakPolarHBondContact O-CB 3.38Å; E153-L157 PolarHBondContact O-N 3.19Å |
| 154 | A | 92.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.008 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | W62 L63 W66 I150 L151 E152 L157 A158 | W62-A154 HydrophobicContact CB-CB 4.23Å; L63-A154 HydrophobicContact CD2-CB 3.98Å; L63-A154 HydrophobicContact CG-CB 4.4Å; W66-A154 HydrophobicContact CB-CB 3.69Å; W66-A154 HydrophobicContact CG-CB 4Å; I150-A154 VanDerWaalsContact O-CB 3.27Å; I150-A154 WeakPolarHBondContact O-CB 3.3Å; I150-A154 PolarHBondContact O-N 3.31Å; L151-A154 PolarHBondContact O-N 3Å; E152-A154 VanDerWaalsContact C-N 3.31Å; E152-A154 PolarHBondContact O-N 3.08Å; A154-L157 PolarHBondContact O-N 2.77Å; A154-A158 WeakPolarHBondContact O-CB 3.27Å; A154-A158 PolarHBondContact O-N 3.32Å |
| 155 | R | 90.9 | Very high | 86.6 | Confident | 105 Ų | 105 | 73.2 Ų | 73.2 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 174.3 | -175.7 | -164 | 68.4 | 96.9 | 2.2 | 111.2 | W62 L151 E152 A158 L159 | W62-R155 HydrophobicContact CE3-CB 4.24Å; W62-R155 HydrophobicContact CE3-CG 4.39Å; W62-R155 HydrophobicContact CZ3-CB 4.36Å; W62-R155 HydrophobicContact CZ3-CG 4.08Å; L151-R155 WeakPolarHBondContact O-CB 3.42Å; L151-R155 PolarHBondContact O-N 3.16Å; E152-R155 WeakPolarHBondContact O-CB 3.41Å; E152-R155 PolarHBondContact O-N 3.14Å; R155-A158 PolarHBondContact O-N 3.02Å; R155-L159 HydrophobicContact CG-CD1 3.89Å; R155-L159 WeakPolarHBondContact O-CB 3.47Å; R155-L159 WeakPolarHBondContact O-CG 3.45Å; R155-L159 PolarHBondContact O-N 2.98Å |
| 156 | E | 89.5 | Confident | 86.6 | Confident | 88 Ų | 88 | 66.7 Ų | 66.7 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 177.3 | -75.2 | 178.9 | 178.9 | 0 | 0 | 111.8 | E152 E153 A158 L159 Q160 | E152-E156 WeakPolarHBondContact O-CG 3.3Å; E152-E156 PolarHBondContact O-N 2.89Å; E153-E156 PolarHBondContact O-N 3.02Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 3.17Å; E156-L159 PolarHBondContact O-N 2.94Å; E156-Q160 WeakPolarHBondContact O-CB 3.43Å; E156-Q160 VanDerWaalsContact O-CG 3.26Å; E156-Q160 WeakPolarHBondContact O-CG 3.43Å; E156-Q160 PolarHBondContact O-N 3.34Å |
| 157 | L | 88.6 | Confident | 86.7 | Confident | 13 Ų | 13 | 68.1 Ų | 68.1 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 175.1 | 175.8 | 64.1 | 0 | 0 | 0 | 111.8 | W66 R69 E153 A154 Q160 Q161 | W66-L157 HydrophobicContact CB-CD2 4.05Å; R69-L157 HydrophobicContact CB-CD2 4.42Å; E153-L157 WeakPolarHBondContact O-CB 3.38Å; E153-L157 PolarHBondContact O-N 3.19Å; A154-L157 PolarHBondContact O-N 2.77Å; L157-Q160 PolarHBondContact O-N 3.21Å; L157-Q161 PolarHBondContact O-N 3.36Å |
| 158 | A | 85.1 | Confident | 86.8 | Confident | 14 Ų | 14 | 68 Ų | 68 | 12% | 0.116 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W62 A154 R155 E156 Q160 Q161 E162 | W62-A158 HydrophobicContact CB-CB 4.16Å; W62-A158 HydrophobicContact CD2-CB 4.1Å; W62-A158 HydrophobicContact CG-CB 3.62Å; A154-A158 WeakPolarHBondContact O-CB 3.27Å; A154-A158 PolarHBondContact O-N 3.32Å; R155-A158 PolarHBondContact O-N 3.02Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 3.17Å; A158-Q160 VanDerWaalsContact C-N 3.3Å; A158-Q160 PolarHBondContact O-N 2.81Å; A158-Q161 PolarHBondContact O-N 3.37Å; A158-Q161 VanDerWaalsContact O-N 3.12Å; A158-E162 PolarHBondContact O-N 2.76Å |
| 159 | L | 82 | Confident | 86.9 | Confident | 90 Ų | 90 | 64.2 Ų | 64.2 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.5 | -32.1 | 177 | -74.4 | 166.7 | 0 | 0 | 0 | 112.8 | R155 E156 Q161 E162 | R155-L159 HydrophobicContact CG-CD1 3.89Å; R155-L159 WeakPolarHBondContact O-CB 3.47Å; R155-L159 WeakPolarHBondContact O-CG 3.45Å; R155-L159 PolarHBondContact O-N 2.98Å; E156-L159 PolarHBondContact O-N 2.94Å; L159-Q161 VanDerWaalsContact C-N 3.32Å; L159-E162 VanDerWaalsContact O-O 3.12Å |
| 160 | Q | 80.9 | Confident | 87 | Confident | 145 Ų | 145 | 64.2 Ų | 64.2 | 68% | 0.678 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -69.4 | -29.5 | 173.9 | -76.4 | 174.9 | 9.9 | 0 | 0 | 112.9 | E156 L157 A158 | E156-Q160 WeakPolarHBondContact O-CB 3.43Å; E156-Q160 VanDerWaalsContact O-CG 3.26Å; E156-Q160 WeakPolarHBondContact O-CG 3.43Å; E156-Q160 PolarHBondContact O-N 3.34Å; L157-Q160 PolarHBondContact O-N 3.21Å; A158-Q160 VanDerWaalsContact C-N 3.3Å; A158-Q160 PolarHBondContact O-N 2.81Å |
| 161 | Q | 73.1 | Confident | 86.9 | Confident | 115 Ų | 115 | 65 Ų | 65 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -80.6 | -32.5 | 176.5 | -73 | -170.3 | 0.8 | 0 | 0 | 112.4 | L157 A158 L159 E163 | L157-Q161 PolarHBondContact O-N 3.36Å; A158-Q161 PolarHBondContact O-N 3.37Å; A158-Q161 VanDerWaalsContact O-N 3.12Å; L159-Q161 VanDerWaalsContact C-N 3.32Å; Q161-E163 PolarHBondContact O-N 2.83Å; Q161-E163 VanDerWaalsContact O-N 3.15Å |
| 162 | E | 71.3 | Confident | 86.7 | Confident | 142 Ų | 142 | 66.8 Ų | 66.8 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -78.5 | 93.7 | 172.8 | -72.9 | -169.6 | 169 | 0 | 0 | 110.3 | A158 L159 G164 | A158-E162 PolarHBondContact O-N 2.76Å; L159-E162 VanDerWaalsContact O-O 3.12Å; E162-G164 PolarHBondContact O-N 2.86Å |
| 163 | E | 70 | Confident | 86.4 | Confident | 126 Ų | 126 | 64 Ų | 64 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | trans | -57.2 | 110.1 | 161.9 | -78 | -176.7 | 176.6 | 0 | 0 | 108.4 | Q161 K165 R184 | Q161-E163 PolarHBondContact O-N 2.83Å; Q161-E163 VanDerWaalsContact O-N 3.15Å; E163-K165 PolarHBondContact O-N 3.48Å; E163-R184 IonicContact OE2-CZ 3.99Å; E163-R184 IonicContact OE2-NE 3.41Å; E163-R184 PolarHBondContact OE2-NE 3.01Å | ||
| 164 | G | 74.8 | Confident | 86.1 | Confident | 24 Ų | 24 | 64.2 Ų | 64.2 | 25% | 0.247 | 34% | 0.336 | C | S | . | . | trans | -55.1 | 138.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | E162 R185 | E162-G164 PolarHBondContact O-N 2.86Å; G164-R185 VanDerWaalsContact C-NE 3.34Å; G164-R185 VanDerWaalsContact O-CD 3.25Å; G164-R185 WeakPolarHBondContact O-CD 3.47Å; G164-R185 WeakPolarHBondContact O-CG 3.49Å; G164-R185 PolarHBondContact O-NE 3.36Å | ||
| 165 | K | 86.3 | Confident | 86.1 | Confident | 128 Ų | 128 | 69 Ų | 69 | 56% | 0.557 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 143.3 | -179.8 | -60.6 | -178.4 | -172 | 170.3 | 0 | 109.9 | E163 P182 R183 | E163-K165 PolarHBondContact O-N 3.48Å; K165-P182 HydrophobicContact CB-CB 3.58Å; K165-P182 HydrophobicContact CD-CB 3.8Å; K165-P182 HydrophobicContact CG-CB 4.31Å; K165-R183 CarbonylContact C-O 3.46Å; K165-R183 VanDerWaalsContact CA-O 3.25Å; K165-R183 WeakPolarHBondContact CA-O 3.37Å; K165-R183 WeakPolarHBondContact CB-O 3.22Å |
| 166 | T | 88.9 | Confident | 86.2 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 116.7 | 173.2 | -55 | 0 | 0 | 0 | 0 | 108.6 | R183 A244 I251 | T166-R183 PolarHBondContact N-O 3.3Å; T166-R183 PolarHBondContact O-N 3.03Å; T166-A244 HydrophobicContact CG2-CB 4.39Å; T166-I251 HydrophobicContact CG2-CD1 4.07Å; T166-I251 HydrophobicContact CG2-CG1 4.04Å |
| 167 | V | 93.1 | Very high | 86.4 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 130.8 | 174.3 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | Y169 P182 S250 I251 | V167-Y169 HydrophobicContact CB-CE2 4.09Å; V167-Y169 HydrophobicContact CG1-CD2 4.19Å; V167-Y169 HydrophobicContact CG1-CE2 3.6Å; V167-P182 HydrophobicContact CG2-CB 4.29Å; V167-P182 HydrophobicContact CG2-CG 4.32Å; V167-S250 WeakPolarHBondContact O-CA 3.27Å; V167-S250 WeakPolarHBondContact O-CB 3.33Å; V167-I251 PolarHBondContact O-N 3.29Å |
| 168 | M | 94.6 | Very high | 86.6 | Confident | 8 Ų | 8 | 70.9 Ų | 70.9 | 4% | 0.039 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 134.1 | 174.5 | -63.2 | -64.3 | -154 | 0 | 0 | 108.9 | P178 F179 R183 T241 I251 L253 | M168-P178 CarbonylContact O-C 3.48Å; M168-P178 WeakPolarHBondContact O-CA 3.33Å; M168-F179 PolarHBondContact O-N 3.09Å; M168-R183 HydrophobicContact CG-CG 4.49Å; M168-T241 HydrophobicContact CE-CG2 4.07Å; M168-I251 CarbonylContact C-O 3.57Å; M168-I251 HydrophobicContact CE-CD1 3.97Å; M168-I251 HydrophobicContact SD-CB 3.69Å; M168-I251 HydrophobicContact SD-CD1 3.92Å; M168-I251 HydrophobicContact SD-CG1 4.2Å; M168-I251 HydrophobicContact SD-CG2 4.29Å; M168-L253 HydrophobicContact SD-CD1 4.47Å |
| 169 | Y | 95.5 | Very high | 86.9 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 20% | 0.204 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 144 | 172.1 | -67.2 | -90.9 | 0 | 0 | 0 | 109.8 | V167 W176 R177 P178 I251 L253 P274 | V167-Y169 HydrophobicContact CB-CE2 4.09Å; V167-Y169 HydrophobicContact CG1-CD2 4.19Å; V167-Y169 HydrophobicContact CG1-CE2 3.6Å; Y169-W176 HydrophobicContact CD1-CB 4.22Å; Y169-R177 WeakPolarHBondContact CA-O 3.3Å; Y169-P178 HydrophobicContact CD1-CG 4.28Å; Y169-P178 HydrophobicContact CE1-CG 3.85Å; Y169-I251 PolarHBondContact N-O 3.37Å; Y169-L253 PolarHBondContact O-N 2.95Å; Y169-P274 HydrophobicContact CD1-CG 4.17Å; Y169-P274 HydrophobicContact CD2-CG 4.23Å; Y169-P274 HydrophobicContact CE1-CG 4.13Å; Y169-P274 HydrophobicContact CE2-CB 4.4Å; Y169-P274 HydrophobicContact CE2-CG 4.21Å; Y169-P274 HydrophobicContact CG-CG 4.22Å |
| 170 | T | 94.3 | Very high | 87.2 | Confident | 46 Ų | 46 | 74.1 Ų | 74.1 | 28% | 0.282 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 152.8 | 170.5 | -168.7 | 0 | 0 | 0 | 0 | 109.7 | V172 R177 F179 | T170-V172 HydrophobicContact CG2-CG2 4.01Å; T170-R177 PolarHBondContact N-O 3.31Å; T170-R177 PolarHBondContact O-N 2.8Å; T170-F179 HydrophobicContact CG2-CB 3.8Å; T170-F179 HydrophobicContact CG2-CD2 3.97Å; T170-F179 HydrophobicContact CG2-CG 4.14Å |
| 171 | A | 91.9 | Very high | 87.5 | Confident | 18 Ų | 18 | 76.7 Ų | 76.7 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 119.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | W176 L254 L269 | A171-W176 HydrophobicContact CB-CZ3 4.36Å; A171-L254 HydrophobicContact CB-CD1 3.96Å; A171-L269 HydrophobicContact CB-CD1 3.67Å; A171-L269 HydrophobicContact CB-CD2 3.86Å; A171-L269 HydrophobicContact CB-CG 4.44Å |
| 172 | V | 88.9 | Confident | 88.3 | Confident | 88 Ų | 88 | 74.1 Ų | 74.1 | 53% | 0.533 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 106.7 | 173.1 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | T170 S174 E175 R177 | T170-V172 HydrophobicContact CG2-CG2 4.01Å; V172-S174 PolarHBondContact O-N 3.39Å; V172-E175 PolarHBondContact N-O 3.4Å; V172-E175 PolarHBondContact O-N 3.49Å; V172-R177 HydrophobicContact CB-CG 4.06Å; V172-R177 HydrophobicContact CG2-CB 4.06Å; V172-R177 HydrophobicContact CG2-CG 4.15Å |
| 173 | G | 87.7 | Confident | 89 | Confident | 39 Ų | 39 | 73.6 Ų | 73.6 | 40% | 0.402 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | -137.7 | -164.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | E175 R265 | G173-E175 VanDerWaalsContact C-N 3.29Å; G173-E175 PolarHBondContact O-N 3.22Å; G173-R265 VanDerWaalsContact N-NH2 3.2Å; G173-R265 PolarHBondContact O-NE 3.03Å; G173-R265 PolarHBondContact O-NH2 2.89Å |
| 174 | S | 88.3 | Confident | 89.9 | Confident | 57 Ų | 57 | 76.7 Ų | 76.7 | 40% | 0.399 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 9.7 | -177.5 | -54.7 | 0 | 0 | 0 | 0 | 114.5 | V172 H268 | V172-S174 PolarHBondContact O-N 3.39Å; S174-H268 PolarHBondContact O-CE1 3.45Å; S174-H268 PolarHBondContact O-ND1 2.7Å |
| 175 | E | 92.5 | Very high | 90.6 | Very high | 101 Ų | 101 | 79.6 Ų | 79.6 | 47% | 0.472 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 154.2 | -176.2 | -65.6 | -175.6 | 171.5 | 0 | 0 | 113.1 | V172 G173 R177 | V172-E175 PolarHBondContact N-O 3.4Å; V172-E175 PolarHBondContact O-N 3.49Å; G173-E175 VanDerWaalsContact C-N 3.29Å; G173-E175 PolarHBondContact O-N 3.22Å; E175-R177 IonicContact OE2-CZ 3.47Å; E175-R177 IonicContact OE2-NE 3.75Å; E175-R177 PolarHBondContact OE2-NE 3.04Å; E175-R177 IonicContact OE2-NH2 3.54Å; E175-R177 PolarHBondContact OE2-NH2 2.86Å |
| 176 | W | 93.9 | Very high | 90.7 | Very high | 25 Ų | 25 | 77.3 Ų | 77.3 | 10% | 0.095 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 126.8 | 169.8 | -66.7 | 103.5 | 0 | 0 | 0 | 110.8 | Y169 A171 C252 L254 L269 V272 P274 | Y169-W176 HydrophobicContact CD1-CB 4.22Å; A171-W176 HydrophobicContact CB-CZ3 4.36Å; W176-C252 HydrophobicContact CD2-CB 4.44Å; W176-C252 HydrophobicContact CE3-CB 4.03Å; W176-C252 HydrophobicContact CH2-CB 3.58Å; W176-C252 HydrophobicContact CZ2-CB 4.03Å; W176-C252 HydrophobicContact CZ3-CB 3.58Å; W176-L254 HydrophobicContact CH2-CB 4.18Å; W176-L254 HydrophobicContact CH2-CD1 4.43Å; W176-L269 HydrophobicContact CD2-CD2 4.45Å; W176-L269 HydrophobicContact CZ2-CB 4.15Å; W176-L269 HydrophobicContact CZ2-CD2 4.48Å; W176-L269 PolarHBondContact NE1-O 2.73Å; W176-V272 VanDerWaalsContact CD1-O 3.31Å; W176-P274 HydrophobicContact CB-CG 4.25Å; W176-P274 HydrophobicContact CG-CG 4.4Å |
| 177 | R | 93.5 | Very high | 90.8 | Very high | 136 Ų | 136 | 80.6 Ų | 80.6 | 51% | 0.513 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 138.9 | 174.6 | -64.4 | -66.9 | 179.2 | 152.1 | -4.9 | 110.2 | Y169 T170 V172 E175 F179 | Y169-R177 WeakPolarHBondContact CA-O 3.3Å; T170-R177 PolarHBondContact N-O 3.31Å; T170-R177 PolarHBondContact O-N 2.8Å; V172-R177 HydrophobicContact CB-CG 4.06Å; V172-R177 HydrophobicContact CG2-CB 4.06Å; V172-R177 HydrophobicContact CG2-CG 4.15Å; E175-R177 IonicContact OE2-CZ 3.47Å; E175-R177 IonicContact OE2-NE 3.75Å; E175-R177 PolarHBondContact OE2-NE 3.04Å; E175-R177 IonicContact OE2-NH2 3.54Å; E175-R177 PolarHBondContact OE2-NH2 2.86Å; R177-F179 PolarHBondContact O-N 3.44Å |
| 178 | P | 92 | Very high | 90.7 | Very high | 86 Ų | 86 | 80 Ų | 80 | 56% | 0.558 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 131.8 | 171.9 | -23.3 | 32.9 | 0 | 0 | 0 | 110.5 | M168 Y169 | M168-P178 CarbonylContact O-C 3.48Å; M168-P178 WeakPolarHBondContact O-CA 3.33Å; Y169-P178 HydrophobicContact CD1-CG 4.28Å; Y169-P178 HydrophobicContact CE1-CG 3.85Å |
| 179 | F | 91.2 | Very high | 90.5 | Very high | 110 Ų | 110 | 84.7 Ų | 84.7 | 48% | 0.482 | 43% | 0.426 | S | S | . | . | trans | -110.2 | 111.3 | -179.1 | -178.3 | -107.4 | 0 | 0 | 0 | 111 | M168 T170 R177 | M168-F179 PolarHBondContact O-N 3.09Å; T170-F179 HydrophobicContact CG2-CB 3.8Å; T170-F179 HydrophobicContact CG2-CD2 3.97Å; T170-F179 HydrophobicContact CG2-CG 4.14Å; R177-F179 PolarHBondContact O-N 3.44Å | ||
| 180 | G | 89.6 | Confident | 90.4 | Very high | 61 Ų | 61 | 84.3 Ų | 84.3 | 63% | 0.629 | 43% | 0.431 | S | S | * | . | S | Bend | trans | 68 | -168 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 181 | Y | 86.4 | Confident | 90.4 | Very high | 199 Ų | 199 | 82.8 Ų | 82.8 | 78% | 0.78 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -78 | 147.7 | 176.9 | -62.1 | -73.1 | 0 | 0 | 0 | 111.2 | R183 | Y181-R183 PolarHBondContact O-N 2.97Š|
| 182 | P | 88.7 | Confident | 90.5 | Very high | 62 Ų | 62 | 82.6 Ų | 82.6 | 40% | 0.403 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 126.1 | 171.5 | -26 | 34.6 | 0 | 0 | 0 | 110.7 | K165 V167 | K165-P182 HydrophobicContact CB-CB 3.58Å; K165-P182 HydrophobicContact CD-CB 3.8Å; K165-P182 HydrophobicContact CG-CB 4.31Å; V167-P182 HydrophobicContact CG2-CB 4.29Å; V167-P182 HydrophobicContact CG2-CG 4.32Å |
| 183 | R | 87.9 | Confident | 90.8 | Very high | 131 Ų | 131 | 78.6 Ų | 78.6 | 49% | 0.494 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 146.1 | -174.3 | -60.6 | -170.9 | -178.9 | -165.1 | 1.4 | 109.6 | K165 T166 M168 Y181 R185 | K165-R183 CarbonylContact C-O 3.46Å; K165-R183 VanDerWaalsContact CA-O 3.25Å; K165-R183 WeakPolarHBondContact CA-O 3.37Å; K165-R183 WeakPolarHBondContact CB-O 3.22Å; T166-R183 PolarHBondContact N-O 3.3Å; T166-R183 PolarHBondContact O-N 3.03Å; M168-R183 HydrophobicContact CG-CG 4.49Å; Y181-R183 PolarHBondContact O-N 2.97Å; R183-R185 PolarHBondContact O-N 3.41Å |
| 184 | R | 88.1 | Confident | 91.2 | Very high | 190 Ų | 190 | 80.2 Ų | 80.2 | 72% | 0.717 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 138 | 169 | -71.5 | -172.6 | 171.8 | 168 | 1 | 109.1 | E163 R186 | E163-R184 IonicContact OE2-CZ 3.99Å; E163-R184 IonicContact OE2-NE 3.41Å; E163-R184 PolarHBondContact OE2-NE 3.01Å; R184-R186 PolarHBondContact O-N 3.47Å |
| 185 | R | 88.6 | Confident | 91.5 | Very high | 85 Ų | 85 | 84.3 Ų | 84.3 | 32% | 0.321 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 129.5 | 175.1 | -75.2 | 170.7 | -175.6 | -173.4 | 7.5 | 108.9 | G164 R183 P187 G245 E248 | G164-R185 VanDerWaalsContact C-NE 3.34Å; G164-R185 VanDerWaalsContact O-CD 3.25Å; G164-R185 WeakPolarHBondContact O-CD 3.47Å; G164-R185 WeakPolarHBondContact O-CG 3.49Å; G164-R185 PolarHBondContact O-NE 3.36Å; R183-R185 PolarHBondContact O-N 3.41Å; R185-P187 WeakPolarHBondContact O-CD 3.44Å; R185-G245 WeakPolarHBondContact CD-O 3.5Å; R185-G245 PolarHBondContact NE-O 2.81Å; R185-E248 IonicContact CZ-OE1 3.89Å; R185-E248 VanDerWaalsContact CZ-OE1 3.26Å; R185-E248 IonicContact NH1-OE1 3.35Å; R185-E248 PolarHBondContact NH1-OE1 3.25Å; R185-E248 IonicContact NH2-OE1 3.79Å; R185-E248 PolarHBondContact NH2-OE1 3.46Å |
| 186 | R | 88.6 | Confident | 91.5 | Very high | 81 Ų | 81 | 80.9 Ų | 80.9 | 31% | 0.306 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 118.4 | 171.7 | 179.6 | 170.9 | -172.9 | 171.1 | -0.4 | 107.1 | R184 L188 S190 S238 A242 | R184-R186 PolarHBondContact O-N 3.47Å; R186-L188 PolarHBondContact O-N 3.32Å; R186-S190 WeakPolarHBondContact CG-OG 3.5Å; R186-S190 PolarHBondContact NE-OG 3.36Å; R186-S238 PolarHBondContact NH1-OG 3.44Å; R186-A242 HydrophobicContact CB-CB 4.19Å; R186-A242 HydrophobicContact CG-CB 4.07Å; R186-A242 WeakPolarHBondContact O-CA 3.34Å; R186-A242 WeakPolarHBondContact O-CB 3.43Å |
| 187 | P | 90.9 | Very high | 91.6 | Very high | 74 Ų | 74 | 80.2 Ų | 80.2 | 48% | 0.481 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 135.6 | 178 | -27.9 | 37.2 | 0 | 0 | 0 | 110.9 | R185 N189 S190 | R185-P187 WeakPolarHBondContact O-CD 3.44Å; P187-N189 WeakPolarHBondContact CB-OD1 3.34Å; P187-N189 PolarHBondContact O-N 3.49Å; P187-S190 VanDerWaalsContact O-CB 3.25Å; P187-S190 WeakPolarHBondContact O-CB 3.43Å; P187-S190 PolarHBondContact O-N 2.73Å; P187-S190 PolarHBondContact O-OG 2.91Å |
| 188 | L | 91.3 | Very high | 91.7 | Very high | 31 Ų | 31 | 74.7 Ų | 74.7 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -57.2 | -39.9 | -179.1 | -170.3 | 68.1 | 0 | 0 | 0 | 111.7 | R186 S190 V191 V202 F239 A242 L243 E246 | R186-L188 PolarHBondContact O-N 3.32Å; L188-S190 PolarHBondContact O-N 3.37Å; L188-S190 VanDerWaalsContact O-N 3.11Å; L188-V191 PolarHBondContact O-N 3.34Å; L188-V202 HydrophobicContact CD2-CG2 3.67Å; L188-F239 HydrophobicContact CD1-CD2 4.13Å; L188-F239 HydrophobicContact CD1-CE2 3.69Å; L188-F239 HydrophobicContact CD1-CZ 4.41Å; L188-A242 HydrophobicContact CD1-CB 4.13Å; L188-L243 HydrophobicContact CD1-CB 4.41Å; L188-E246 HydrophobicContact CD2-CG 4.5Å |
| 189 | N | 91.1 | Very high | 91.8 | Very high | 106 Ų | 106 | 75 Ų | 75 | 57% | 0.567 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -63.1 | -15.4 | 176.2 | 67.6 | -1.5 | 0 | 0 | 0 | 113.8 | P187 V191 R367 | P187-N189 WeakPolarHBondContact CB-OD1 3.34Å; P187-N189 PolarHBondContact O-N 3.49Å; N189-V191 VanDerWaalsContact C-N 3.25Å; N189-V191 PolarHBondContact O-N 2.79Å; N189-R367 PolarHBondContact O-NE 2.87Å; N189-R367 PolarHBondContact O-NH2 3.23Å |
| 190 | S | 92.4 | Very high | 92.1 | Very high | 44 Ų | 44 | 75.9 Ų | 75.9 | 31% | 0.308 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -74.8 | -15 | 177.1 | 74.6 | 0 | 0 | 0 | 0 | 113.3 | R186 P187 L188 | R186-S190 WeakPolarHBondContact CG-OG 3.5Å; R186-S190 PolarHBondContact NE-OG 3.36Å; P187-S190 VanDerWaalsContact O-CB 3.25Å; P187-S190 WeakPolarHBondContact O-CB 3.43Å; P187-S190 PolarHBondContact O-N 2.73Å; P187-S190 PolarHBondContact O-OG 2.91Å; L188-S190 PolarHBondContact O-N 3.37Å; L188-S190 VanDerWaalsContact O-N 3.11Å |
| 191 | V | 94.3 | Very high | 92.4 | Very high | 14 Ų | 14 | 73 Ų | 73 | 9% | 0.085 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -105.3 | 107.4 | 177 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | L188 N189 L193 F239 A242 | L188-V191 PolarHBondContact O-N 3.34Å; N189-V191 VanDerWaalsContact C-N 3.25Å; N189-V191 PolarHBondContact O-N 2.79Å; V191-L193 HydrophobicContact CG1-CD2 3.94Å; V191-L193 HydrophobicContact CG1-CG 4.19Å; V191-L193 PolarHBondContact O-N 3.23Å; V191-F239 HydrophobicContact CG1-CB 3.97Å; V191-F239 HydrophobicContact CG1-CD2 4.43Å; V191-A242 HydrophobicContact CG2-CB 4.02Å |
| 192 | V | 95.6 | Very high | 92.9 | Very high | 14 Ų | 14 | 65.1 Ų | 65.1 | 9% | 0.085 | 32% | 0.317 | C | S | . | . | trans | -92.4 | 93.5 | -175.9 | -168.5 | 0 | 0 | 0 | 0 | 110.1 | W359 Q360 Q363 M364 R367 | V192-W359 HydrophobicContact CG1-CZ3 3.97Å; V192-Q360 HydrophobicContact CG1-CB 4.29Å; V192-Q360 HydrophobicContact CG1-CG 4.17Å; V192-Q360 PolarHBondContact O-NE2 2.76Å; V192-Q363 HydrophobicContact CG1-CB 3.58Å; V192-M364 HydrophobicContact CB-CG 3.78Å; V192-M364 HydrophobicContact CG1-CG 4.14Å; V192-M364 HydrophobicContact CG2-CG 3.8Å; V192-R367 VanDerWaalsContact CG2-CZ 3.46Å | ||
| 193 | L | 94.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | trans | -87.7 | -178.5 | 171.6 | -59.1 | -169.6 | 0 | 0 | 0 | 111.2 | V191 L197 F239 V353 W359 Q360 | V191-L193 HydrophobicContact CG1-CD2 3.94Å; V191-L193 HydrophobicContact CG1-CG 4.19Å; V191-L193 PolarHBondContact O-N 3.23Å; L193-L197 HydrophobicContact CB-CD2 4.25Å; L193-L197 HydrophobicContact CD1-CD2 4.17Å; L193-L197 HydrophobicContact CD1-CG 4.36Å; L193-F239 HydrophobicContact CD1-CB 4.05Å; L193-F239 HydrophobicContact CD1-CD1 4.14Å; L193-F239 HydrophobicContact CD1-CD2 3.46Å; L193-F239 VanDerWaalsContact CD1-CD2 3.46Å; L193-F239 HydrophobicContact CD1-CE2 3.89Å; L193-F239 HydrophobicContact CD1-CG 3.6Å; L193-F239 HydrophobicContact CD1-CZ 4.39Å; L193-F239 HydrophobicContact CG-CD2 4.14Å; L193-V353 HydrophobicContact CD2-CG1 3.86Å; L193-W359 WeakPolarHBondContact O-CZ3 3.34Å; L193-Q360 VanDerWaalsContact C-NE2 3.31Å; L193-Q360 VanDerWaalsContact O-CG 3.22Å; L193-Q360 WeakPolarHBondContact O-CG 3.3Å | ||
| 194 | Q | 95 | Very high | 93.7 | Very high | 72 Ų | 72 | 64.8 Ų | 64.8 | 34% | 0.336 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -62 | 154 | 172.9 | -69.9 | 178.4 | -1 | 0 | 0 | 111.5 | G196 L197 Q360 | Q194-G196 PolarHBondContact O-N 3.14Å; Q194-L197 HydrophobicContact CB-CB 4.5Å; Q194-L197 WeakPolarHBondContact O-CB 3.3Å; Q194-L197 PolarHBondContact O-N 3.41Å; Q194-Q360 VanDerWaalsContact CG-OE1 3.29Å |
| 195 | Q | 94.7 | Very high | 94.1 | Very high | 143 Ų | 143 | 55.7 Ų | 55.7 | 67% | 0.668 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 129.3 | -176.3 | -168.7 | 177.6 | 6.3 | 0 | 0 | 111.3 | L197 W359 | Q195-L197 PolarHBondContact O-N 3.43Å; Q195-W359 HydrophobicContact CB-CD2 3.88Å; Q195-W359 HydrophobicContact CB-CE3 4.14Å; Q195-W359 HydrophobicContact CB-CG 4.29Å; Q195-W359 HydrophobicContact CB-CZ2 4.29Å; Q195-W359 HydrophobicContact CB-CZ3 4.47Å; Q195-W359 HydrophobicContact CG-CD2 4.35Å; Q195-W359 HydrophobicContact CG-CZ2 4.07Å |
| 196 | G | 93.8 | Very high | 94.4 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -8.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q194 R200 | Q194-G196 PolarHBondContact O-N 3.14Å; G196-R200 WeakPolarHBondContact O-CB 3.4Å; G196-R200 PolarHBondContact O-N 2.8Å; G196-R200 VanDerWaalsContact O-N 3.13Å |
| 197 | L | 95.5 | Very high | 94.7 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.6 | -48.8 | 179.2 | 176.7 | 56.1 | 0 | 0 | 0 | 111.8 | L193 Q194 Q195 D199 R200 I201 E351 Y352 V353 | L193-L197 HydrophobicContact CB-CD2 4.25Å; L193-L197 HydrophobicContact CD1-CD2 4.17Å; L193-L197 HydrophobicContact CD1-CG 4.36Å; Q194-L197 HydrophobicContact CB-CB 4.5Å; Q194-L197 WeakPolarHBondContact O-CB 3.3Å; Q194-L197 PolarHBondContact O-N 3.41Å; Q195-L197 PolarHBondContact O-N 3.43Å; L197-D199 PolarHBondContact O-N 2.95Å; L197-R200 PolarHBondContact O-N 2.83Å; L197-I201 HydrophobicContact CD1-CD1 3.96Å; L197-I201 HydrophobicContact CD1-CG1 4.4Å; L197-I201 HydrophobicContact CG-CD1 4.27Å; L197-I201 PolarHBondContact O-N 3.47Å; L197-E351 HydrophobicContact CD1-CB 3.79Å; L197-E351 HydrophobicContact CD1-CG 3.76Å; L197-E351 WeakPolarHBondContact CD1-OE2 3.38Å; L197-Y352 WeakPolarHBondContact CD2-O 3.49Å; L197-V353 HydrophobicContact CD2-CG2 4.18Å |
| 198 | A | 94.9 | Very high | 94.9 | Very high | 20 Ų | 20 | 54 Ų | 54 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.3 | -48.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R200 I201 V202 F239 | A198-R200 VanDerWaalsContact C-N 3.29Å; A198-R200 PolarHBondContact O-N 3.39Å; A198-I201 PolarHBondContact O-N 3.03Å; A198-V202 VanDerWaalsContact O-CG2 3.27Å; A198-V202 WeakPolarHBondContact O-CG2 3.45Å; A198-V202 PolarHBondContact O-N 3.49Å; A198-F239 HydrophobicContact CB-CE2 3.72Å; A198-F239 HydrophobicContact CB-CZ 4.22Å |
| 199 | D | 95.4 | Very high | 95 | Very high | 93 Ų | 93 | 54.8 Ų | 54.8 | 50% | 0.497 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.4 | -34.1 | -178.5 | -54.6 | -37.4 | 0 | 0 | 0 | 112.5 | L197 R203 | L197-D199 PolarHBondContact O-N 2.95Å; D199-R203 VanDerWaalsContact O-CB 3.31Å; D199-R203 WeakPolarHBondContact O-CB 3.24Å; D199-R203 VanDerWaalsContact O-CG 3.22Å; D199-R203 WeakPolarHBondContact O-CG 3.41Å; D199-R203 PolarHBondContact O-N 3.4Å; D199-R203 PolarHBondContact O-NE 3.06Å |
| 200 | R | 96.7 | Very high | 95.1 | Very high | 129 Ų | 129 | 54.5 Ų | 54.5 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.7 | -48.2 | 175.5 | -172.4 | -170.3 | -67.9 | 167.8 | 0.7 | 111.3 | G196 L197 A198 R203 D204 E351 | G196-R200 WeakPolarHBondContact O-CB 3.4Å; G196-R200 PolarHBondContact O-N 2.8Å; G196-R200 VanDerWaalsContact O-N 3.13Å; L197-R200 PolarHBondContact O-N 2.83Å; A198-R200 VanDerWaalsContact C-N 3.29Å; A198-R200 PolarHBondContact O-N 3.39Å; R200-R203 PolarHBondContact O-N 3.47Å; R200-D204 PolarHBondContact O-N 2.87Å; R200-E351 WeakPolarHBondContact CD-OE1 3.47Å; R200-E351 IonicContact CZ-OE1 3.75Å; R200-E351 IonicContact NE-OE1 3.85Å; R200-E351 IonicContact NH1-OE1 3.75Å; R200-E351 PolarHBondContact NH1-OE1 3.09Å; R200-E351 IonicContact NH1-OE2 3.98Å; R200-E351 PolarHBondContact NH1-OE2 3.47Å |
| 201 | I | 96.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66 | -44.5 | -180 | -61.2 | 164.6 | 0 | 0 | 0 | 110.5 | L197 A198 R203 D204 V205 Y226 L228 F239 L243 F328 L349 E351 | L197-I201 HydrophobicContact CD1-CD1 3.96Å; L197-I201 HydrophobicContact CD1-CG1 4.4Å; L197-I201 HydrophobicContact CG-CD1 4.27Å; L197-I201 PolarHBondContact O-N 3.47Å; A198-I201 PolarHBondContact O-N 3.03Å; I201-R203 VanDerWaalsContact C-N 3.33Å; I201-R203 PolarHBondContact O-N 3.2Å; I201-D204 PolarHBondContact O-N 3.2Å; I201-V205 HydrophobicContact CG2-CG2 4.15Å; I201-V205 VanDerWaalsContact O-CG2 3.24Å; I201-V205 WeakPolarHBondContact O-CG2 3.44Å; I201-V205 PolarHBondContact O-N 2.96Å; I201-Y226 HydrophobicContact CG2-CD1 4.5Å; I201-L228 HydrophobicContact CD1-CD2 3.85Å; I201-F239 HydrophobicContact CB-CE1 4.13Å; I201-F239 HydrophobicContact CB-CZ 4.2Å; I201-F239 HydrophobicContact CD1-CD1 4.44Å; I201-F239 HydrophobicContact CD1-CE1 3.66Å; I201-F239 HydrophobicContact CD1-CZ 4.14Å; I201-F239 HydrophobicContact CG2-CE1 3.92Å; I201-F239 HydrophobicContact CG2-CZ 4.35Å; I201-L243 HydrophobicContact CG2-CD2 4.15Å; I201-F328 HydrophobicContact CG2-CE1 4.33Å; I201-F328 HydrophobicContact CG2-CZ 4.42Å; I201-L349 HydrophobicContact CG1-CD2 4.28Å; I201-E351 HydrophobicContact CD1-CB 4.31Å; I201-E351 HydrophobicContact CD1-CG 4.23Å; I201-E351 HydrophobicContact CG1-CG 4.09Å |
| 202 | V | 96.3 | Very high | 95.2 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 19% | 0.194 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 177.9 | 171.8 | 0 | 0 | 0 | 0 | 111 | L188 A198 V205 Q206 L243 | L188-V202 HydrophobicContact CD2-CG2 3.67Å; A198-V202 VanDerWaalsContact O-CG2 3.27Å; A198-V202 WeakPolarHBondContact O-CG2 3.45Å; A198-V202 PolarHBondContact O-N 3.49Å; V202-V205 PolarHBondContact O-N 3.09Å; V202-Q206 VanDerWaalsContact O-CB 3.29Å; V202-Q206 WeakPolarHBondContact O-CB 3.3Å; V202-Q206 PolarHBondContact O-N 2.94Å; V202-L243 HydrophobicContact CG2-CD1 3.76Å |
| 203 | R | 96.9 | Very high | 95.2 | Very high | 155 Ų | 155 | 64 Ų | 64 | 59% | 0.585 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62 | -45 | 177.4 | -77.5 | 178.1 | -63.6 | -155.4 | 0.6 | 112.5 | D199 R200 I201 V205 Q206 E207 | D199-R203 VanDerWaalsContact O-CB 3.31Å; D199-R203 WeakPolarHBondContact O-CB 3.24Å; D199-R203 VanDerWaalsContact O-CG 3.22Å; D199-R203 WeakPolarHBondContact O-CG 3.41Å; D199-R203 PolarHBondContact O-N 3.4Å; D199-R203 PolarHBondContact O-NE 3.06Å; R200-R203 PolarHBondContact O-N 3.47Å; I201-R203 VanDerWaalsContact C-N 3.33Å; I201-R203 PolarHBondContact O-N 3.2Å; R203-V205 PolarHBondContact O-N 3.41Å; R203-Q206 PolarHBondContact O-N 3.02Å; R203-E207 VanDerWaalsContact O-CB 3.26Å; R203-E207 WeakPolarHBondContact O-CB 3.46Å; R203-E207 PolarHBondContact O-N 2.7Å |
| 204 | D | 96.8 | Very high | 95.3 | Very high | 31 Ų | 31 | 69.5 Ų | 69.5 | 17% | 0.166 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 178.8 | -165.6 | -89.1 | 0 | 0 | 0 | 111.5 | R200 I201 E207 F208 R224 Y226 L349 | R200-D204 PolarHBondContact O-N 2.87Å; I201-D204 PolarHBondContact O-N 3.2Å; D204-E207 PolarHBondContact O-N 3.11Å; D204-F208 WeakPolarHBondContact O-CB 3.39Å; D204-F208 PolarHBondContact O-N 2.91Å; D204-R224 VanDerWaalsContact CG-NH2 3.32Å; D204-R224 IonicContact OD1-CZ 2.84Å; D204-R224 IonicContact OD1-NE 2.8Å; D204-R224 PolarHBondContact OD1-NE 3.19Å; D204-R224 IonicContact OD1-NH2 3.4Å; D204-R224 PolarHBondContact OD1-NH2 2.93Å; D204-R224 IonicContact OD2-CZ 3.42Å; D204-R224 IonicContact OD2-NH2 3.88Å; D204-R224 PolarHBondContact OD2-NH2 2.82Å; D204-Y226 HydrophobicContact CB-CE1 4.34Å; D204-Y226 WeakPolarHBondContact OD1-CE1 3.5Å; D204-Y226 PolarHBondContact OD1-OH 3.29Å; D204-L349 HydrophobicContact CB-CD2 4.12Å |
| 205 | V | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 178.4 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | I201 V202 R203 F208 I209 Y226 L243 L247 I326 F328 | I201-V205 HydrophobicContact CG2-CG2 4.15Å; I201-V205 VanDerWaalsContact O-CG2 3.24Å; I201-V205 WeakPolarHBondContact O-CG2 3.44Å; I201-V205 PolarHBondContact O-N 2.96Å; V202-V205 PolarHBondContact O-N 3.09Å; R203-V205 PolarHBondContact O-N 3.41Å; V205-F208 WeakPolarHBondContact O-CB 3.28Å; V205-F208 PolarHBondContact O-N 3.44Å; V205-I209 HydrophobicContact CG1-CD1 3.82Å; V205-I209 HydrophobicContact CG1-CG1 4.47Å; V205-I209 VanDerWaalsContact O-CG1 3.3Å; V205-I209 WeakPolarHBondContact O-CG1 3.47Å; V205-I209 PolarHBondContact O-N 3.21Å; V205-Y226 VanDerWaalsContact CA-OH 3.24Å; V205-Y226 WeakPolarHBondContact CA-OH 3.42Å; V205-Y226 HydrophobicContact CG2-CE1 3.83Å; V205-Y226 HydrophobicContact CG2-CE2 3.86Å; V205-Y226 WeakPolarHBondContact CG2-OH 3.44Å; V205-Y226 PolarHBondContact N-OH 3Å; V205-L243 HydrophobicContact CG2-CD2 4.36Å; V205-L247 HydrophobicContact CB-CD1 4.43Å; V205-L247 HydrophobicContact CG1-CD1 3.4Å; V205-L247 VanDerWaalsContact CG1-CD1 3.4Å; V205-L247 HydrophobicContact CG1-CD2 4.31Å; V205-I326 HydrophobicContact CG1-CD1 4.11Å; V205-F328 HydrophobicContact CG2-CZ 4.04Å |
| 206 | Q | 94.9 | Very high | 95 | Very high | 73 Ų | 73 | 65 Ų | 65 | 34% | 0.341 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66 | -43 | 178.5 | -169 | 60.7 | 49.2 | 0 | 0 | 111.2 | V202 R203 F208 I209 D210 | V202-Q206 VanDerWaalsContact O-CB 3.29Å; V202-Q206 WeakPolarHBondContact O-CB 3.3Å; V202-Q206 PolarHBondContact O-N 2.94Å; R203-Q206 PolarHBondContact O-N 3.02Å; Q206-F208 VanDerWaalsContact C-N 3.29Å; Q206-F208 PolarHBondContact O-N 3.48Å; Q206-I209 PolarHBondContact O-N 3.46Å; Q206-D210 WeakPolarHBondContact CG-OD2 3.4Å; Q206-D210 PolarHBondContact NE2-OD1 3.36Å; Q206-D210 PolarHBondContact NE2-OD2 2.88Å; Q206-D210 WeakPolarHBondContact O-CB 3.44Å; Q206-D210 VanDerWaalsContact O-CG 3.26Å; Q206-D210 PolarHBondContact O-N 2.8Å |
| 207 | E | 96 | Very high | 95.1 | Very high | 127 Ų | 127 | 68.7 Ų | 68.7 | 59% | 0.593 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.1 | -41.6 | 174.2 | -176.3 | -179.8 | 171.2 | 0 | 0 | 111.5 | R203 D204 N211 | R203-E207 VanDerWaalsContact O-CB 3.26Å; R203-E207 WeakPolarHBondContact O-CB 3.46Å; R203-E207 PolarHBondContact O-N 2.7Å; D204-E207 PolarHBondContact O-N 3.11Å; E207-N211 WeakPolarHBondContact O-CB 3.31Å; E207-N211 PolarHBondContact O-N 3.22Å; E207-N211 PolarHBondContact O-ND2 3.39Å |
| 208 | F | 94.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 74.7 Ų | 74.7 | 2% | 0.022 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.8 | -49.6 | 174.6 | 174.4 | -103.7 | 0 | 0 | 0 | 111.5 | D204 V205 Q206 D210 N211 Y215 Y222 R224 I326 | D204-F208 WeakPolarHBondContact O-CB 3.39Å; D204-F208 PolarHBondContact O-N 2.91Å; V205-F208 WeakPolarHBondContact O-CB 3.28Å; V205-F208 PolarHBondContact O-N 3.44Å; Q206-F208 VanDerWaalsContact C-N 3.29Å; Q206-F208 PolarHBondContact O-N 3.48Å; F208-D210 VanDerWaalsContact C-N 3.34Å; F208-D210 PolarHBondContact O-N 2.85Å; F208-N211 PolarHBondContact O-N 3.27Å; F208-Y215 AromaticContact CD2-CE2 3.87Å; F208-Y215 HydrophobicContact CD2-CE2 3.87Å; F208-Y215 AromaticContact CD2-CZ 3.78Å; F208-Y215 HydrophobicContact CE2-CE1 4.34Å; F208-Y215 HydrophobicContact CE2-CE2 4.14Å; F208-Y215 AromaticContact CE2-CZ 3.95Å; F208-Y222 HydrophobicContact CD1-CE2 4.41Å; F208-Y222 HydrophobicContact CD2-CD2 4.28Å; F208-Y222 AromaticContact CD2-CE2 3.8Å; F208-Y222 HydrophobicContact CD2-CE2 3.8Å; F208-Y222 AromaticContact CE1-CE2 3.99Å; F208-Y222 HydrophobicContact CE1-CE2 3.99Å; F208-Y222 AromaticContact CE1-CZ 3.97Å; F208-Y222 AromaticContact CE2-CD2 3.44Å; F208-Y222 HydrophobicContact CE2-CD2 3.44Å; F208-Y222 VanDerWaalsContact CE2-CD2 3.44Å; F208-Y222 AromaticContact CE2-CE2 3.32Å; F208-Y222 HydrophobicContact CE2-CE2 3.32Å; F208-Y222 HydrophobicContact CE2-CG 4.34Å; F208-Y222 HydrophobicContact CG-CE2 4.34Å; F208-Y222 HydrophobicContact CZ-CD1 4.47Å; F208-Y222 AromaticContact CZ-CD2 3.64Å; F208-Y222 HydrophobicContact CZ-CD2 3.64Å; F208-Y222 HydrophobicContact CZ-CE1 4.29Å; F208-Y222 AromaticContact CZ-CE2 3.43Å; F208-Y222 HydrophobicContact CZ-CE2 3.43Å; F208-Y222 VanDerWaalsContact CZ-CE2 3.43Å; F208-Y222 HydrophobicContact CZ-CG 4.16Å; F208-Y222 AromaticContact CZ-CZ 3.79Å; F208-Y222 WeakPolarHBondContact O-CE2 3.48Å; F208-Y222 PolarHBondContact O-OH 2.99Å; F208-R224 HydrophobicContact CB-CG 4.41Å; F208-R224 HydrophobicContact CD1-CB 3.93Å; F208-R224 HydrophobicContact CD2-CB 3.68Å; F208-R224 HydrophobicContact CD2-CG 4.09Å; F208-R224 HydrophobicContact CE1-CB 3.95Å; F208-R224 HydrophobicContact CE2-CB 3.69Å; F208-R224 HydrophobicContact CG-CB 3.79Å; F208-R224 HydrophobicContact CG-CG 4.09Å; F208-R224 HydrophobicContact CZ-CB 3.83Å; F208-I326 HydrophobicContact CD1-CD1 3.93Å; F208-I326 HydrophobicContact CD1-CG1 3.74Å; F208-I326 HydrophobicContact CE1-CD1 4.07Å; F208-I326 HydrophobicContact CE1-CG1 3.49Å; F208-I326 VanDerWaalsContact CE1-CG1 3.49Å |
| 209 | I | 93 | Very high | 94.9 | Very high | 46 Ų | 46 | 77 Ų | 77 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62 | -39.8 | -178.8 | -69.7 | 167.7 | 0 | 0 | 0 | 111.9 | V205 Q206 P212 Y222 L247 I326 | V205-I209 HydrophobicContact CG1-CD1 3.82Å; V205-I209 HydrophobicContact CG1-CG1 4.47Å; V205-I209 VanDerWaalsContact O-CG1 3.3Å; V205-I209 WeakPolarHBondContact O-CG1 3.47Å; V205-I209 PolarHBondContact O-N 3.21Å; Q206-I209 PolarHBondContact O-N 3.46Å; I209-P212 WeakPolarHBondContact O-CD 3.39Å; I209-Y222 WeakPolarHBondContact CA-OH 3.36Å; I209-Y222 PolarHBondContact O-OH 3.13Å; I209-L247 HydrophobicContact CD1-CD1 4.37Å; I209-L247 HydrophobicContact CD1-CD2 4.09Å; I209-I326 HydrophobicContact CD1-CD1 4.14Å; I209-I326 HydrophobicContact CG1-CD1 4.02Å |
| 210 | D | 94.9 | Very high | 94.6 | Very high | 100 Ų | 100 | 76.2 Ų | 76.2 | 54% | 0.535 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -80.6 | -15.5 | -174.6 | -68 | -23.4 | 0 | 0 | 0 | 113.4 | Q206 F208 P212 | Q206-D210 WeakPolarHBondContact CG-OD2 3.4Å; Q206-D210 PolarHBondContact NE2-OD1 3.36Å; Q206-D210 PolarHBondContact NE2-OD2 2.88Å; Q206-D210 WeakPolarHBondContact O-CB 3.44Å; Q206-D210 VanDerWaalsContact O-CG 3.26Å; Q206-D210 PolarHBondContact O-N 2.8Å; F208-D210 VanDerWaalsContact C-N 3.34Å; F208-D210 PolarHBondContact O-N 2.85Å; D210-P212 VanDerWaalsContact O-CD 3.3Å; D210-P212 WeakPolarHBondContact O-CD 3.42Å |
| 211 | N | 95 | Very high | 94.3 | Very high | 73 Ų | 73 | 72.9 Ų | 72.9 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | trans | -116.4 | 46.3 | -174.6 | -66.5 | -71 | 0 | 0 | 0 | 115.5 | E207 F208 K213 W214 Y215 | E207-N211 WeakPolarHBondContact O-CB 3.31Å; E207-N211 PolarHBondContact O-N 3.22Å; E207-N211 PolarHBondContact O-ND2 3.39Å; F208-N211 PolarHBondContact O-N 3.27Å; N211-K213 VanDerWaalsContact C-N 3.3Å; N211-K213 PolarHBondContact O-N 3.28Å; N211-W214 HydrophobicContact CB-CB 4.37Å; N211-W214 PolarHBondContact O-N 3.19Å; N211-Y215 WeakPolarHBondContact O-CD2 3.36Å | ||
| 212 | P | 93.8 | Very high | 94.1 | Very high | 55 Ų | 55 | 74.1 Ų | 74.1 | 36% | 0.357 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | -179.7 | 25.5 | -33.3 | 0 | 0 | 0 | 112.5 | I209 D210 W214 Y215 T216 Y222 | I209-P212 WeakPolarHBondContact O-CD 3.39Å; D210-P212 VanDerWaalsContact O-CD 3.3Å; D210-P212 WeakPolarHBondContact O-CD 3.42Å; P212-W214 VanDerWaalsContact C-N 3.27Å; P212-W214 PolarHBondContact O-N 2.99Å; P212-Y215 PolarHBondContact O-N 3.35Å; P212-T216 PolarHBondContact O-N 3.17Å; P212-T216 PolarHBondContact O-OG1 2.64Å; P212-Y222 HydrophobicContact CB-CD1 4.4Å; P212-Y222 HydrophobicContact CB-CE1 3.89Å; P212-Y222 HydrophobicContact CB-CE2 4.06Å |
| 213 | K | 95.3 | Very high | 93.8 | Very high | 145 Ų | 145 | 74.1 Ų | 74.1 | 63% | 0.63 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.5 | -35.3 | -178 | -177.1 | 173.9 | 178.8 | 174.9 | 0 | 112.8 | N211 Y215 T216 D217 | N211-K213 VanDerWaalsContact C-N 3.3Å; N211-K213 PolarHBondContact O-N 3.28Å; K213-Y215 VanDerWaalsContact C-N 3.25Å; K213-Y215 PolarHBondContact O-N 3.01Å; K213-T216 PolarHBondContact O-N 2.97Å; K213-D217 VanDerWaalsContact CE-OD2 3.26Å; K213-D217 WeakPolarHBondContact CE-OD2 3.42Å; K213-D217 WeakPolarHBondContact CG-OD2 3.45Å; K213-D217 WeakPolarHBondContact O-CB 3.45Å; K213-D217 PolarHBondContact O-N 3.32Å |
| 214 | W | 95.7 | Very high | 93.7 | Very high | 119 Ų | 119 | 69.3 Ų | 69.3 | 45% | 0.451 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61 | -37.7 | -179.2 | -176.5 | 100.4 | 0 | 0 | 0 | 112.1 | N211 P212 R218 I220 | N211-W214 HydrophobicContact CB-CB 4.37Å; N211-W214 PolarHBondContact O-N 3.19Å; P212-W214 VanDerWaalsContact C-N 3.27Å; P212-W214 PolarHBondContact O-N 2.99Å; W214-R218 VanDerWaalsContact NE1-CZ 3.33Å; W214-R218 WeakPolarHBondContact O-CD 3.49Å; W214-R218 PolarHBondContact O-NH1 3.43Å; W214-R218 VanDerWaalsContact O-NH1 3.13Å; W214-I220 HydrophobicContact CH2-CD1 4.15Å; W214-I220 HydrophobicContact CZ3-CD1 3.93Å |
| 215 | Y | 92.9 | Very high | 93.6 | Very high | 27 Ų | 27 | 68 Ų | 68 | 11% | 0.106 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.5 | -49.9 | 176.5 | -73.9 | -97.4 | 0 | 0 | 0 | 111.2 | F208 N211 P212 K213 D217 R218 G219 I220 Y222 | F208-Y215 AromaticContact CD2-CE2 3.87Å; F208-Y215 HydrophobicContact CD2-CE2 3.87Å; F208-Y215 AromaticContact CD2-CZ 3.78Å; F208-Y215 HydrophobicContact CE2-CE1 4.34Å; F208-Y215 HydrophobicContact CE2-CE2 4.14Å; F208-Y215 AromaticContact CE2-CZ 3.95Å; N211-Y215 WeakPolarHBondContact O-CD2 3.36Å; P212-Y215 PolarHBondContact O-N 3.35Å; K213-Y215 VanDerWaalsContact C-N 3.25Å; K213-Y215 PolarHBondContact O-N 3.01Å; Y215-D217 PolarHBondContact O-N 3.14Å; Y215-R218 PolarHBondContact O-N 3.07Å; Y215-R218 VanDerWaalsContact O-N 3.14Å; Y215-G219 PolarHBondContact O-N 3.48Å; Y215-G219 VanDerWaalsContact O-N 3.15Å; Y215-I220 HydrophobicContact CD1-CB 4.18Å; Y215-I220 HydrophobicContact CD1-CG2 3.86Å; Y215-I220 HydrophobicContact CE1-CG2 4.33Å; Y215-I220 PolarHBondContact O-N 3.19Å; Y215-Y222 HydrophobicContact CD1-CD2 4.3Å; Y215-Y222 AromaticContact CD2-CD2 3.61Å; Y215-Y222 HydrophobicContact CD2-CD2 3.61Å; Y215-Y222 AromaticContact CD2-CE2 3.94Å; Y215-Y222 HydrophobicContact CD2-CE2 3.94Å; Y215-Y222 HydrophobicContact CE2-CD2 4.2Å; Y215-Y222 HydrophobicContact CE2-CE2 4.27Å; Y215-Y222 AromaticContact CG-CD2 3.69Å; Y215-Y222 HydrophobicContact CG-CD2 3.69Å; Y215-Y222 HydrophobicContact CG-CE2 4.47Å |
| 216 | T | 91.6 | Very high | 93.7 | Very high | 94 Ų | 94 | 68 Ų | 68 | 58% | 0.577 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.7 | -45.7 | -179.7 | -50.4 | 0 | 0 | 0 | 0 | 112 | P212 K213 R218 G219 | P212-T216 PolarHBondContact O-N 3.17Å; P212-T216 PolarHBondContact O-OG1 2.64Å; K213-T216 PolarHBondContact O-N 2.97Å; T216-R218 PolarHBondContact O-N 3.41Å; T216-R218 VanDerWaalsContact O-N 3.12Å; T216-G219 PolarHBondContact O-N 2.79Å |
| 217 | D | 96 | Very high | 93.8 | Very high | 106 Ų | 106 | 64.6 Ų | 64.6 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.1 | -179.7 | -72.4 | -8 | 0 | 0 | 0 | 112.6 | K213 Y215 | K213-D217 VanDerWaalsContact CE-OD2 3.26Å; K213-D217 WeakPolarHBondContact CE-OD2 3.42Å; K213-D217 WeakPolarHBondContact CG-OD2 3.45Å; K213-D217 WeakPolarHBondContact O-CB 3.45Å; K213-D217 PolarHBondContact O-N 3.32Å; Y215-D217 PolarHBondContact O-N 3.14Å |
| 218 | R | 94.9 | Very high | 93.9 | Very high | 138 Ų | 138 | 58.7 Ų | 58.7 | 52% | 0.521 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -0.7 | 179.8 | -72 | 167.5 | 178.7 | 67.4 | 5.5 | 113.5 | W214 Y215 T216 I220 | W214-R218 VanDerWaalsContact NE1-CZ 3.33Å; W214-R218 WeakPolarHBondContact O-CD 3.49Å; W214-R218 PolarHBondContact O-NH1 3.43Å; W214-R218 VanDerWaalsContact O-NH1 3.13Å; Y215-R218 PolarHBondContact O-N 3.07Å; Y215-R218 VanDerWaalsContact O-N 3.14Å; T216-R218 PolarHBondContact O-N 3.41Å; T216-R218 VanDerWaalsContact O-N 3.12Å; R218-I220 HydrophobicContact CB-CD1 3.91Å; R218-I220 HydrophobicContact CB-CG1 3.91Å; R218-I220 PolarHBondContact O-N 3.1Å |
| 219 | G | 90 | Very high | 94 | Very high | 69 Ų | 69 | 61.5 Ų | 61.5 | 71% | 0.711 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 22.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y215 T216 | Y215-G219 PolarHBondContact O-N 3.48Å; Y215-G219 VanDerWaalsContact O-N 3.15Å; T216-G219 PolarHBondContact O-N 2.79Å |
| 220 | I | 90.5 | Very high | 94.2 | Very high | 75 Ų | 75 | 59.6 Ų | 59.6 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | trans | -86.9 | 129.5 | 175.7 | -59.8 | 172.6 | 0 | 0 | 0 | 107.2 | W214 Y215 R218 Y222 | W214-I220 HydrophobicContact CH2-CD1 4.15Å; W214-I220 HydrophobicContact CZ3-CD1 3.93Å; Y215-I220 HydrophobicContact CD1-CB 4.18Å; Y215-I220 HydrophobicContact CD1-CG2 3.86Å; Y215-I220 HydrophobicContact CE1-CG2 4.33Å; Y215-I220 PolarHBondContact O-N 3.19Å; R218-I220 HydrophobicContact CB-CD1 3.91Å; R218-I220 HydrophobicContact CB-CG1 3.91Å; R218-I220 PolarHBondContact O-N 3.1Å; I220-Y222 PolarHBondContact O-N 3.33Å | ||
| 221 | P | 89.4 | Confident | 94.2 | Very high | 59 Ų | 59 | 55.8 Ų | 55.8 | 38% | 0.383 | 29% | 0.286 | S | S | . | . | trans | -55 | 128.2 | 176.9 | -25.2 | 33.5 | 0 | 0 | 0 | 111.7 | R223 | P221-R223 VanDerWaalsContact C-N 3.28Å; P221-R223 PolarHBondContact O-N 3.29Å | ||
| 222 | Y | 92.1 | Very high | 94.1 | Very high | 28 Ų | 28 | 56.6 Ų | 56.6 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | trans | -77.5 | 78.4 | -177.4 | -176.5 | -128.6 | 0 | 0 | 0 | 111 | F208 I209 P212 Y215 I220 A324 R325 | F208-Y222 HydrophobicContact CD1-CE2 4.41Å; F208-Y222 HydrophobicContact CD2-CD2 4.28Å; F208-Y222 AromaticContact CD2-CE2 3.8Å; F208-Y222 HydrophobicContact CD2-CE2 3.8Å; F208-Y222 AromaticContact CE1-CE2 3.99Å; F208-Y222 HydrophobicContact CE1-CE2 3.99Å; F208-Y222 AromaticContact CE1-CZ 3.97Å; F208-Y222 AromaticContact CE2-CD2 3.44Å; F208-Y222 HydrophobicContact CE2-CD2 3.44Å; F208-Y222 VanDerWaalsContact CE2-CD2 3.44Å; F208-Y222 AromaticContact CE2-CE2 3.32Å; F208-Y222 HydrophobicContact CE2-CE2 3.32Å; F208-Y222 HydrophobicContact CE2-CG 4.34Å; F208-Y222 HydrophobicContact CG-CE2 4.34Å; F208-Y222 HydrophobicContact CZ-CD1 4.47Å; F208-Y222 AromaticContact CZ-CD2 3.64Å; F208-Y222 HydrophobicContact CZ-CD2 3.64Å; F208-Y222 HydrophobicContact CZ-CE1 4.29Å; F208-Y222 AromaticContact CZ-CE2 3.43Å; F208-Y222 HydrophobicContact CZ-CE2 3.43Å; F208-Y222 VanDerWaalsContact CZ-CE2 3.43Å; F208-Y222 HydrophobicContact CZ-CG 4.16Å; F208-Y222 AromaticContact CZ-CZ 3.79Å; F208-Y222 WeakPolarHBondContact O-CE2 3.48Å; F208-Y222 PolarHBondContact O-OH 2.99Å; I209-Y222 WeakPolarHBondContact CA-OH 3.36Å; I209-Y222 PolarHBondContact O-OH 3.13Å; P212-Y222 HydrophobicContact CB-CD1 4.4Å; P212-Y222 HydrophobicContact CB-CE1 3.89Å; P212-Y222 HydrophobicContact CB-CE2 4.06Å; Y215-Y222 HydrophobicContact CD1-CD2 4.3Å; Y215-Y222 AromaticContact CD2-CD2 3.61Å; Y215-Y222 HydrophobicContact CD2-CD2 3.61Å; Y215-Y222 AromaticContact CD2-CE2 3.94Å; Y215-Y222 HydrophobicContact CD2-CE2 3.94Å; Y215-Y222 HydrophobicContact CE2-CD2 4.2Å; Y215-Y222 HydrophobicContact CE2-CE2 4.27Å; Y215-Y222 AromaticContact CG-CD2 3.69Å; Y215-Y222 HydrophobicContact CG-CD2 3.69Å; Y215-Y222 HydrophobicContact CG-CE2 4.47Å; I220-Y222 PolarHBondContact O-N 3.33Å; Y222-A324 VanDerWaalsContact CD1-CA 3.41Å; Y222-A324 HydrophobicContact CD1-CB 3.69Å; Y222-A324 HydrophobicContact CE1-CB 3.76Å; Y222-A324 WeakPolarHBondContact O-CA 3.14Å; Y222-A324 PolarHBondContact O-N 3.45Å; Y222-R325 PolarHBondContact O-N 2.94Å | ||
| 223 | R | 90.8 | Very high | 94 | Very high | 32 Ų | 32 | 55.9 Ų | 55.9 | 12% | 0.121 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 150.6 | -178.3 | -60.7 | -174.6 | -71.8 | -111.2 | 9.9 | 109.8 | P221 D317 S321 R325 | P221-R223 VanDerWaalsContact C-N 3.28Å; P221-R223 PolarHBondContact O-N 3.29Å; R223-D317 IonicContact NH2-OD1 3.68Å; R223-D317 PolarHBondContact NH2-OD1 2.93Å; R223-S321 PolarHBondContact NH1-O 3.37Å; R223-S321 VanDerWaalsContact NH1-O 3.13Å; R223-R325 WeakPolarHBondContact CA-O 3.46Å; R223-R325 HydrophobicContact CG-CB 4.42Å |
| 224 | R | 93.8 | Very high | 94 | Very high | 53 Ų | 53 | 49 Ų | 49 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 128.3 | 176.6 | -159.7 | 73.5 | 170.5 | 168.9 | -4.7 | 110.8 | D204 F208 Y226 R325 I326 V327 D348 | D204-R224 VanDerWaalsContact CG-NH2 3.32Å; D204-R224 IonicContact OD1-CZ 2.84Å; D204-R224 IonicContact OD1-NE 2.8Å; D204-R224 PolarHBondContact OD1-NE 3.19Å; D204-R224 IonicContact OD1-NH2 3.4Å; D204-R224 PolarHBondContact OD1-NH2 2.93Å; D204-R224 IonicContact OD2-CZ 3.42Å; D204-R224 IonicContact OD2-NH2 3.88Å; D204-R224 PolarHBondContact OD2-NH2 2.82Å; F208-R224 HydrophobicContact CB-CG 4.41Å; F208-R224 HydrophobicContact CD1-CB 3.93Å; F208-R224 HydrophobicContact CD2-CB 3.68Å; F208-R224 HydrophobicContact CD2-CG 4.09Å; F208-R224 HydrophobicContact CE1-CB 3.95Å; F208-R224 HydrophobicContact CE2-CB 3.69Å; F208-R224 HydrophobicContact CG-CB 3.79Å; F208-R224 HydrophobicContact CG-CG 4.09Å; F208-R224 HydrophobicContact CZ-CB 3.83Å; R224-Y226 HydrophobicContact CB-CE2 4Å; R224-Y226 HydrophobicContact CG-CD2 4.42Å; R224-Y226 HydrophobicContact CG-CE2 3.5Å; R224-Y226 WeakPolarHBondContact CG-OH 3.25Å; R224-R325 PolarHBondContact N-O 3.4Å; R224-I326 WeakPolarHBondContact O-CA 3.05Å; R224-V327 PolarHBondContact O-N 2.74Å; R224-D348 WeakPolarHBondContact CA-OD2 3.39Å |
| 225 | G | 95.4 | Very high | 94 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | V327 R346 D348 L349 | G225-V327 WeakPolarHBondContact CA-O 3.27Å; G225-R346 WeakPolarHBondContact CA-O 3.44Å; G225-D348 PolarHBondContact N-OD2 2.94Å; G225-D348 PolarHBondContact O-N 3.11Å; G225-L349 PolarHBondContact O-N 3.25Å |
| 226 | Y | 97.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136.8 | 178.5 | -63.2 | -90.3 | 0 | 0 | 0 | 110.5 | I201 D204 V205 R224 I326 V327 F328 M329 L349 | I201-Y226 HydrophobicContact CG2-CD1 4.5Å; D204-Y226 HydrophobicContact CB-CE1 4.34Å; D204-Y226 WeakPolarHBondContact OD1-CE1 3.5Å; D204-Y226 PolarHBondContact OD1-OH 3.29Å; V205-Y226 VanDerWaalsContact CA-OH 3.24Å; V205-Y226 WeakPolarHBondContact CA-OH 3.42Å; V205-Y226 HydrophobicContact CG2-CE1 3.83Å; V205-Y226 HydrophobicContact CG2-CE2 3.86Å; V205-Y226 WeakPolarHBondContact CG2-OH 3.44Å; V205-Y226 PolarHBondContact N-OH 3Å; R224-Y226 HydrophobicContact CB-CE2 4Å; R224-Y226 HydrophobicContact CG-CD2 4.42Å; R224-Y226 HydrophobicContact CG-CE2 3.5Å; R224-Y226 WeakPolarHBondContact CG-OH 3.25Å; Y226-I326 HydrophobicContact CD2-CG2 3.89Å; Y226-I326 HydrophobicContact CE2-CG2 3.71Å; Y226-V327 PolarHBondContact N-O 3.37Å; Y226-F328 VanDerWaalsContact CB-CD1 3.49Å; Y226-F328 VanDerWaalsContact CB-CE1 3.48Å; Y226-F328 HydrophobicContact CD1-CE1 4.16Å; Y226-F328 HydrophobicContact CD1-CZ 4.25Å; Y226-F328 HydrophobicContact CD2-CD1 4.46Å; Y226-F328 HydrophobicContact CD2-CD2 4.28Å; Y226-F328 HydrophobicContact CD2-CE1 4.01Å; Y226-F328 AromaticContact CD2-CE2 3.81Å; Y226-F328 HydrophobicContact CD2-CE2 3.81Å; Y226-F328 AromaticContact CD2-CZ 3.65Å; Y226-F328 HydrophobicContact CD2-CZ 3.65Å; Y226-F328 HydrophobicContact CE2-CE2 4.31Å; Y226-F328 HydrophobicContact CE2-CZ 4.15Å; Y226-F328 HydrophobicContact CG-CD1 4.11Å; Y226-F328 AromaticContact CG-CE1 3.62Å; Y226-F328 HydrophobicContact CG-CE1 3.62Å; Y226-F328 HydrophobicContact CG-CE2 4.29Å; Y226-F328 AromaticContact CG-CZ 3.71Å; Y226-F328 HydrophobicContact CG-CZ 3.71Å; Y226-M329 PolarHBondContact O-N 3.32Å; Y226-L349 WeakPolarHBondContact CA-O 3.46Å; Y226-L349 HydrophobicContact CD1-CB 3.81Å; Y226-L349 HydrophobicContact CD1-CD2 3.91Å; Y226-L349 HydrophobicContact CD1-CG 4.32Å; Y226-L349 HydrophobicContact CE1-CB 4.01Å; Y226-L349 HydrophobicContact CE1-CD2 3.8Å |
| 227 | L | 97.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 114.8 | 172.5 | 178.8 | 68.7 | 0 | 0 | 0 | 110 | M329 T331 V334 L337 I342 V347 L349 K350 E351 | L227-M329 WeakPolarHBondContact CA-O 3.48Å; L227-M329 HydrophobicContact CD1-CB 3.78Å; L227-T331 HydrophobicContact CD1-CG2 3.99Å; L227-V334 HydrophobicContact CD2-CG2 4.35Å; L227-L337 HydrophobicContact CD1-CD1 4.09Å; L227-L337 HydrophobicContact CD2-CD1 4.03Å; L227-I342 HydrophobicContact CD2-CG2 3.84Å; L227-V347 HydrophobicContact CB-CG1 3.57Å; L227-V347 HydrophobicContact CB-CG2 4.41Å; L227-L349 PolarHBondContact N-O 3.11Å; L227-K350 HydrophobicContact CB-CG 4.2Å; L227-K350 HydrophobicContact CD2-CD 4.34Å; L227-K350 HydrophobicContact CD2-CG 4.22Å; L227-K350 WeakPolarHBondContact O-CA 3.5Å; L227-E351 PolarHBondContact O-N 2.84Å |
| 228 | L | 97.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.8 | 169.4 | -55.4 | -174 | 0 | 0 | 0 | 109.1 | I201 K236 F239 I240 M329 T330 T331 E351 V353 | I201-L228 HydrophobicContact CD1-CD2 3.85Å; L228-K236 HydrophobicContact CB-CB 4.38Å; L228-K236 HydrophobicContact CB-CD 4.38Å; L228-K236 HydrophobicContact CB-CG 4.33Å; L228-K236 WeakPolarHBondContact O-CD 3.44Å; L228-F239 HydrophobicContact CD1-CD1 4.02Å; L228-I240 HydrophobicContact CD1-CD1 3.91Å; L228-I240 HydrophobicContact CD1-CG1 3.82Å; L228-M329 PolarHBondContact N-O 2.56Å; L228-T330 WeakPolarHBondContact O-CA 3.34Å; L228-T331 PolarHBondContact O-N 3.33Å; L228-E351 WeakPolarHBondContact CA-O 3.24Å; L228-E351 HydrophobicContact CD2-CB 3.95Å; L228-V353 HydrophobicContact CB-CG2 4.38Å |
| 229 | Y | 97 | Very high | 94.2 | Very high | 65 Ų | 65 | 31.4 Ų | 31.4 | 26% | 0.255 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.6 | -177.4 | 69.9 | -79.9 | 0 | 0 | 0 | 112.1 | T331 V334 K350 E351 Y352 V353 | Y229-T331 WeakPolarHBondContact CA-O 3.32Å; Y229-V334 HydrophobicContact CD2-CB 3.67Å; Y229-V334 HydrophobicContact CD2-CG1 3.62Å; Y229-V334 HydrophobicContact CD2-CG2 4.15Å; Y229-V334 HydrophobicContact CE2-CB 4.33Å; Y229-V334 HydrophobicContact CE2-CG1 3.9Å; Y229-V334 HydrophobicContact CG-CB 3.97Å; Y229-V334 HydrophobicContact CG-CG1 4.41Å; Y229-V334 HydrophobicContact CG-CG2 4.17Å; Y229-K350 HydrophobicContact CE1-CB 4.36Å; Y229-E351 VanDerWaalsContact CD1-O 3.25Å; Y229-E351 WeakPolarHBondContact CD1-O 3.34Å; Y229-E351 PolarHBondContact N-O 3Å; Y229-E351 VanDerWaalsContact N-O 3.09Å; Y229-Y352 AromaticContact CD2-CD2 3.84Å; Y229-Y352 HydrophobicContact CD2-CD2 3.84Å; Y229-Y352 AromaticContact CE2-CD2 3.59Å; Y229-Y352 HydrophobicContact CE2-CD2 3.59Å; Y229-Y352 HydrophobicContact CE2-CG 4.27Å; Y229-Y352 CarbonylContact O-C 3.51Å; Y229-Y352 WeakPolarHBondContact O-CA 3.38Å; Y229-Y352 WeakPolarHBondContact O-CD2 3.49Å; Y229-V353 PolarHBondContact O-N 3.17Å |
| 230 | G | 95.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 6% | 0.062 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 149.6 | -178.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K236 T331 N332 | G230-K236 PolarHBondContact O-NZ 2.84Å; G230-T331 PolarHBondContact N-O 3.15Å; G230-N332 WeakPolarHBondContact O-CA 3.23Å |
| 231 | P | 94.9 | Very high | 94.7 | Very high | 20 Ų | 20 | 26.2 Ų | 26.2 | 13% | 0.13 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -58.2 | 155.8 | -174.4 | -20.8 | 31.5 | 0 | 0 | 0 | 113.5 | C234 K236 Y355 | P231-C234 PolarHBondContact O-SG 2.63Å; P231-K236 PolarHBondContact O-NZ 2.83Å; P231-Y355 HydrophobicContact CB-CE1 4.06Å; P231-Y355 HydrophobicContact CB-CE2 4.2Å; P231-Y355 HydrophobicContact CG-CD2 4.13Å; P231-Y355 HydrophobicContact CG-CE1 4.21Å; P231-Y355 HydrophobicContact CG-CE2 3.53Å |
| 232 | P | 93.5 | Very high | 95 | Very high | 90 Ų | 90 | 23.4 Ų | 23.4 | 58% | 0.584 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 149.7 | 173.8 | 27.3 | -34.5 | 0 | 0 | 0 | 110.7 | C234 | P232-C234 VanDerWaalsContact C-N 3.3Å; P232-C234 PolarHBondContact O-N 2.87Å |
| 233 | G | 92.7 | Very high | 95.2 | Very high | 39 Ų | 39 | 22.1 Ų | 22.1 | 40% | 0.402 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 8.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | A394 | G233-A394 WeakPolarHBondContact O-CB 3.34Å; G233-A394 PolarHBondContact O-N 3.08Å |
| 234 | C | 95.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -87.7 | 3.5 | 178.1 | -59.5 | 0 | 0 | 0 | 0 | 115 | P231 P232 V353 G354 | P231-C234 PolarHBondContact O-SG 2.63Å; P232-C234 VanDerWaalsContact C-N 3.3Å; P232-C234 PolarHBondContact O-N 2.87Å; C234-V353 HydrophobicContact CB-CG1 3.96Å; C234-V353 WeakPolarHBondContact CB-O 3.4Å; C234-V353 VanDerWaalsContact O-CG1 3.25Å; C234-V353 WeakPolarHBondContact O-CG1 3.46Å; C234-G354 WeakPolarHBondContact CB-O 3.31Å; C234-G354 PolarHBondContact SG-O 3.09Å |
| 235 | G | 94 | Very high | 95.3 | Very high | 18 Ų | 18 | 18.2 Ų | 18.2 | 19% | 0.186 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 93.8 | 12.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | S238 F239 | G235-S238 WeakPolarHBondContact O-CB 3.46Å; G235-S238 PolarHBondContact O-N 2.98Å; G235-F239 WeakPolarHBondContact O-CB 3.16Å; G235-F239 PolarHBondContact O-N 2.88Å |
| 236 | K | 95.4 | Very high | 95.1 | Very high | 13 Ų | 13 | 23.5 Ų | 23.5 | 6% | 0.057 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -49.3 | -61.3 | 177.6 | -58.4 | -175.5 | -67.2 | -88.2 | 0 | 113.1 | L228 G230 P231 S238 F239 I240 T330 T331 N332 V353 | L228-K236 HydrophobicContact CB-CB 4.38Å; L228-K236 HydrophobicContact CB-CD 4.38Å; L228-K236 HydrophobicContact CB-CG 4.33Å; L228-K236 WeakPolarHBondContact O-CD 3.44Å; G230-K236 PolarHBondContact O-NZ 2.84Å; P231-K236 PolarHBondContact O-NZ 2.83Å; K236-S238 VanDerWaalsContact C-N 3.31Å; K236-S238 PolarHBondContact O-N 3.3Å; K236-F239 PolarHBondContact O-N 3Å; K236-I240 WeakPolarHBondContact O-CG1 3.29Å; K236-I240 PolarHBondContact O-N 3.5Å; K236-T330 HydrophobicContact CB-CG2 4.03Å; K236-T331 WeakPolarHBondContact CE-O 3.32Å; K236-N332 PolarHBondContact NZ-OD1 2.83Å; K236-V353 HydrophobicContact CG-CB 3.99Å; K236-V353 HydrophobicContact CG-CG1 4.23Å; K236-V353 HydrophobicContact CG-CG2 4.32Å |
| 237 | S | 94.1 | Very high | 94.8 | Very high | 41 Ų | 41 | 24.4 Ų | 24.4 | 29% | 0.287 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -67 | -32.2 | 179.3 | -45.4 | 0 | 0 | 0 | 0 | 112.9 | I240 T241 E282 | S237-I240 PolarHBondContact O-N 3.3Å; S237-T241 PolarHBondContact O-N 3.44Å; S237-T241 PolarHBondContact O-OG1 2.98Å; S237-E282 WeakPolarHBondContact CB-OE1 3.08Å; S237-E282 PolarHBondContact OG-OE1 3.46Å |
| 238 | S | 94.8 | Very high | 94.5 | Very high | 41 Ų | 41 | 30.4 Ų | 30.4 | 29% | 0.287 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.6 | -41.3 | 175.9 | -76.6 | 0 | 0 | 0 | 0 | 111.9 | R186 G235 K236 T241 A242 | R186-S238 PolarHBondContact NH1-OG 3.44Å; G235-S238 WeakPolarHBondContact O-CB 3.46Å; G235-S238 PolarHBondContact O-N 2.98Å; K236-S238 VanDerWaalsContact C-N 3.31Å; K236-S238 PolarHBondContact O-N 3.3Å; S238-T241 PolarHBondContact O-N 2.98Å; S238-A242 PolarHBondContact O-N 2.78Å; S238-A242 VanDerWaalsContact O-N 3.1Å |
| 239 | F | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -46.8 | 176.6 | 178.8 | -106.2 | 0 | 0 | 0 | 111.2 | L188 V191 L193 A198 I201 L228 G235 K236 T241 A242 L243 | L188-F239 HydrophobicContact CD1-CD2 4.13Å; L188-F239 HydrophobicContact CD1-CE2 3.69Å; L188-F239 HydrophobicContact CD1-CZ 4.41Å; V191-F239 HydrophobicContact CG1-CB 3.97Å; V191-F239 HydrophobicContact CG1-CD2 4.43Å; L193-F239 HydrophobicContact CD1-CB 4.05Å; L193-F239 HydrophobicContact CD1-CD1 4.14Å; L193-F239 HydrophobicContact CD1-CD2 3.46Å; L193-F239 VanDerWaalsContact CD1-CD2 3.46Å; L193-F239 HydrophobicContact CD1-CE2 3.89Å; L193-F239 HydrophobicContact CD1-CG 3.6Å; L193-F239 HydrophobicContact CD1-CZ 4.39Å; L193-F239 HydrophobicContact CG-CD2 4.14Å; A198-F239 HydrophobicContact CB-CE2 3.72Å; A198-F239 HydrophobicContact CB-CZ 4.22Å; I201-F239 HydrophobicContact CB-CE1 4.13Å; I201-F239 HydrophobicContact CB-CZ 4.2Å; I201-F239 HydrophobicContact CD1-CD1 4.44Å; I201-F239 HydrophobicContact CD1-CE1 3.66Å; I201-F239 HydrophobicContact CD1-CZ 4.14Å; I201-F239 HydrophobicContact CG2-CE1 3.92Å; I201-F239 HydrophobicContact CG2-CZ 4.35Å; L228-F239 HydrophobicContact CD1-CD1 4.02Å; G235-F239 WeakPolarHBondContact O-CB 3.16Å; G235-F239 PolarHBondContact O-N 2.88Å; K236-F239 PolarHBondContact O-N 3Å; F239-T241 VanDerWaalsContact C-N 3.27Å; F239-T241 PolarHBondContact O-N 3.02Å; F239-A242 PolarHBondContact O-N 3.42Å; F239-L243 HydrophobicContact CE1-CD2 4.12Å; F239-L243 WeakPolarHBondContact O-CB 3.48Å; F239-L243 PolarHBondContact O-N 2.88Å |
| 240 | I | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.2 | -40.1 | 177.7 | -62.4 | 162.1 | 0 | 0 | 0 | 110.8 | L228 K236 S237 A242 L243 A244 L280 F328 T330 | L228-I240 HydrophobicContact CD1-CD1 3.91Å; L228-I240 HydrophobicContact CD1-CG1 3.82Å; K236-I240 WeakPolarHBondContact O-CG1 3.29Å; K236-I240 PolarHBondContact O-N 3.5Å; S237-I240 PolarHBondContact O-N 3.3Å; I240-A242 VanDerWaalsContact C-N 3.31Å; I240-A242 PolarHBondContact O-N 3.27Å; I240-L243 PolarHBondContact O-N 2.92Å; I240-A244 WeakPolarHBondContact O-CB 3.36Å; I240-A244 PolarHBondContact O-N 3.49Å; I240-L280 HydrophobicContact CD1-CD1 3.64Å; I240-L280 HydrophobicContact CG2-CD1 4.41Å; I240-L280 HydrophobicContact CG2-CD2 4.07Å; I240-F328 HydrophobicContact CD1-CB 3.87Å; I240-F328 HydrophobicContact CD1-CD1 4.03Å; I240-F328 HydrophobicContact CD1-CG 4.21Å; I240-F328 HydrophobicContact CG1-CB 4.31Å; I240-F328 HydrophobicContact CG1-CD1 3.82Å; I240-F328 HydrophobicContact CG1-CE1 4.44Å; I240-F328 HydrophobicContact CG1-CG 4.14Å; I240-F328 HydrophobicContact CG2-CB 4.34Å; I240-F328 HydrophobicContact CG2-CG 4.28Å; I240-T330 HydrophobicContact CD1-CG2 3.48Å; I240-T330 VanDerWaalsContact CD1-CG2 3.48Å |
| 241 | T | 94.3 | Very high | 94.2 | Very high | 36 Ų | 36 | 29 Ų | 29 | 22% | 0.221 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 175.8 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | M168 S237 S238 F239 G245 I251 | M168-T241 HydrophobicContact CE-CG2 4.07Å; S237-T241 PolarHBondContact O-N 3.44Å; S237-T241 PolarHBondContact O-OG1 2.98Å; S238-T241 PolarHBondContact O-N 2.98Å; F239-T241 VanDerWaalsContact C-N 3.27Å; F239-T241 PolarHBondContact O-N 3.02Å; T241-G245 PolarHBondContact O-N 3.11Å; T241-I251 HydrophobicContact CG2-CD1 4.32Å |
| 242 | A | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.3 | -40.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R186 L188 V191 S238 F239 I240 G245 E246 | R186-A242 HydrophobicContact CB-CB 4.19Å; R186-A242 HydrophobicContact CG-CB 4.07Å; R186-A242 WeakPolarHBondContact O-CA 3.34Å; R186-A242 WeakPolarHBondContact O-CB 3.43Å; L188-A242 HydrophobicContact CD1-CB 4.13Å; V191-A242 HydrophobicContact CG2-CB 4.02Å; S238-A242 PolarHBondContact O-N 2.78Å; S238-A242 VanDerWaalsContact O-N 3.1Å; F239-A242 PolarHBondContact O-N 3.42Å; I240-A242 VanDerWaalsContact C-N 3.31Å; I240-A242 PolarHBondContact O-N 3.27Å; A242-G245 PolarHBondContact O-N 2.65Å; A242-G245 VanDerWaalsContact O-N 3.14Å; A242-E246 PolarHBondContact O-N 3.21Å |
| 243 | L | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 175.7 | 179.8 | 64.6 | 0 | 0 | 0 | 111.8 | L188 I201 V202 V205 F239 I240 G245 E246 L247 F328 | L188-L243 HydrophobicContact CD1-CB 4.41Å; I201-L243 HydrophobicContact CG2-CD2 4.15Å; V202-L243 HydrophobicContact CG2-CD1 3.76Å; V205-L243 HydrophobicContact CG2-CD2 4.36Å; F239-L243 HydrophobicContact CE1-CD2 4.12Å; F239-L243 WeakPolarHBondContact O-CB 3.48Å; F239-L243 PolarHBondContact O-N 2.88Å; I240-L243 PolarHBondContact O-N 2.92Å; L243-G245 PolarHBondContact O-N 3.39Å; L243-E246 PolarHBondContact O-N 2.85Å; L243-L247 HydrophobicContact CD1-CD1 3.94Å; L243-L247 HydrophobicContact CD1-CG 4.21Å; L243-L247 HydrophobicContact CG-CD1 3.88Å; L243-L247 HydrophobicContact CG-CG 4.5Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 3.44Å; L243-F328 HydrophobicContact CD2-CE1 4.04Å; L243-F328 HydrophobicContact CD2-CE2 4.1Å; L243-F328 HydrophobicContact CD2-CZ 3.44Å; L243-F328 VanDerWaalsContact CD2-CZ 3.44Å |
| 244 | A | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.6 | -38.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T166 I240 E248 H249 I251 L278 | T166-A244 HydrophobicContact CG2-CB 4.39Å; I240-A244 WeakPolarHBondContact O-CB 3.36Å; I240-A244 PolarHBondContact O-N 3.49Å; A244-E248 PolarHBondContact O-N 3.5Å; A244-E248 VanDerWaalsContact O-N 3.13Å; A244-H249 PolarHBondContact O-N 2.7Å; A244-I251 HydrophobicContact CB-CD1 3.57Å; A244-I251 HydrophobicContact CB-CG1 3.43Å; A244-I251 VanDerWaalsContact CB-CG1 3.43Å; A244-L278 HydrophobicContact CB-CD1 3.79Å |
| 245 | G | 92.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R185 T241 A242 L243 E248 | R185-G245 WeakPolarHBondContact CD-O 3.5Å; R185-G245 PolarHBondContact NE-O 2.81Å; T241-G245 PolarHBondContact O-N 3.11Å; A242-G245 PolarHBondContact O-N 2.65Å; A242-G245 VanDerWaalsContact O-N 3.14Å; L243-G245 PolarHBondContact O-N 3.39Å; G245-E248 PolarHBondContact O-N 2.9Å |
| 246 | E | 91.4 | Very high | 93.4 | Very high | 115 Ų | 115 | 26.9 Ų | 26.9 | 54% | 0.537 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -66.3 | -42.7 | 176.7 | -167.1 | 66.8 | -159.8 | 0 | 0 | 111.8 | L188 A242 L243 E248 | L188-E246 HydrophobicContact CD2-CG 4.5Å; A242-E246 PolarHBondContact O-N 3.21Å; L243-E246 PolarHBondContact O-N 2.85Å; E246-E248 PolarHBondContact O-N 3.21Å |
| 247 | L | 91.4 | Very high | 92.7 | Very high | 21 Ų | 21 | 29.5 Ų | 29.5 | 11% | 0.11 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -1.4 | 179.2 | -61.3 | 171.3 | 0 | 0 | 0 | 113.2 | V205 I209 L243 H249 | V205-L247 HydrophobicContact CB-CD1 4.43Å; V205-L247 HydrophobicContact CG1-CD1 3.4Å; V205-L247 VanDerWaalsContact CG1-CD1 3.4Å; V205-L247 HydrophobicContact CG1-CD2 4.31Å; I209-L247 HydrophobicContact CD1-CD1 4.37Å; I209-L247 HydrophobicContact CD1-CD2 4.09Å; L243-L247 HydrophobicContact CD1-CD1 3.94Å; L243-L247 HydrophobicContact CD1-CG 4.21Å; L243-L247 HydrophobicContact CG-CD1 3.88Å; L243-L247 HydrophobicContact CG-CG 4.5Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 3.44Å; L247-H249 HydrophobicContact CB-CB 4.46Å; L247-H249 PolarHBondContact O-N 3.49Å; L247-H249 PolarHBondContact O-ND1 3.28Å |
| 248 | E | 91.1 | Very high | 92 | Very high | 126 Ų | 126 | 30.2 Ų | 30.2 | 59% | 0.589 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 26.5 | -172.8 | -42.9 | -156.5 | 119.2 | 0 | 0 | 114.2 | R185 A244 G245 E246 | R185-E248 IonicContact CZ-OE1 3.89Å; R185-E248 VanDerWaalsContact CZ-OE1 3.26Å; R185-E248 IonicContact NH1-OE1 3.35Å; R185-E248 PolarHBondContact NH1-OE1 3.25Å; R185-E248 IonicContact NH2-OE1 3.79Å; R185-E248 PolarHBondContact NH2-OE1 3.46Å; A244-E248 PolarHBondContact O-N 3.5Å; A244-E248 VanDerWaalsContact O-N 3.13Å; G245-E248 PolarHBondContact O-N 2.9Å; E246-E248 PolarHBondContact O-N 3.21Å |
| 249 | H | 93.7 | Very high | 91.1 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 13% | 0.13 | 18% | 0.179 | C | C | . | . | trans | -93 | 152.5 | 178.8 | -77.3 | 51.6 | 0 | 0 | 0 | 111.9 | A244 L247 Q276 L278 | A244-H249 PolarHBondContact O-N 2.7Å; L247-H249 HydrophobicContact CB-CB 4.46Å; L247-H249 PolarHBondContact O-N 3.49Å; L247-H249 PolarHBondContact O-ND1 3.28Å; H249-Q276 WeakPolarHBondContact CA-O 3.39Å; H249-Q276 WeakPolarHBondContact CB-O 3.4Å; H249-L278 HydrophobicContact CB-CD2 4.34Å; H249-L278 HydrophobicContact CB-CG 3.97Å | ||
| 250 | S | 94.7 | Very high | 90.3 | Very high | 16 Ų | 16 | 35.2 Ų | 35.2 | 11% | 0.112 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 164.9 | 167.2 | 61 | 0 | 0 | 0 | 0 | 111.4 | V167 Q276 S277 L278 | V167-S250 WeakPolarHBondContact O-CA 3.27Å; V167-S250 WeakPolarHBondContact O-CB 3.33Å; S250-Q276 PolarHBondContact N-O 3.04Å; S250-Q276 PolarHBondContact OG-O 3.46Å; S250-S277 CarbonylContact O-C 3.58Å; S250-S277 WeakPolarHBondContact O-CA 3.4Å; S250-S277 WeakPolarHBondContact OG-CA 3.36Å; S250-S277 WeakPolarHBondContact OG-CB 3.08Å; S250-L278 PolarHBondContact O-N 3.44Å |
| 251 | I | 96.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127 | 177.8 | -54.7 | 175.7 | 0 | 0 | 0 | 109.4 | T166 V167 M168 Y169 T241 A244 L253 L278 L280 | T166-I251 HydrophobicContact CG2-CD1 4.07Å; T166-I251 HydrophobicContact CG2-CG1 4.04Å; V167-I251 PolarHBondContact O-N 3.29Å; M168-I251 CarbonylContact C-O 3.57Å; M168-I251 HydrophobicContact CE-CD1 3.97Å; M168-I251 HydrophobicContact SD-CB 3.69Å; M168-I251 HydrophobicContact SD-CD1 3.92Å; M168-I251 HydrophobicContact SD-CG1 4.2Å; M168-I251 HydrophobicContact SD-CG2 4.29Å; Y169-I251 PolarHBondContact N-O 3.37Å; T241-I251 HydrophobicContact CG2-CD1 4.32Å; A244-I251 HydrophobicContact CB-CD1 3.57Å; A244-I251 HydrophobicContact CB-CG1 3.43Å; A244-I251 VanDerWaalsContact CB-CG1 3.43Å; I251-L253 HydrophobicContact CG2-CD2 3.92Å; I251-L253 HydrophobicContact CG2-CG 4.15Å; I251-L278 WeakPolarHBondContact CA-O 3.35Å; I251-L280 HydrophobicContact CG2-CB 3.96Å; I251-L280 HydrophobicContact CG2-CD2 4.29Å |
| 252 | C | 96.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 99.1 | 173.9 | -72.8 | 0 | 0 | 0 | 0 | 109 | W176 P274 L278 V279 L280 | W176-C252 HydrophobicContact CD2-CB 4.44Å; W176-C252 HydrophobicContact CE3-CB 4.03Å; W176-C252 HydrophobicContact CH2-CB 3.58Å; W176-C252 HydrophobicContact CZ2-CB 4.03Å; W176-C252 HydrophobicContact CZ3-CB 3.58Å; C252-P274 VanDerWaalsContact SG-CD 3.59Å; C252-L278 PolarHBondContact N-O 2.81Å; C252-V279 HydrophobicContact CB-CG2 4.34Å; C252-L280 PolarHBondContact O-N 2.92Å |
| 253 | L | 94.8 | Very high | 89 | Confident | 50 Ų | 50 | 36.9 Ų | 36.9 | 26% | 0.262 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 122.5 | 179.7 | -66.5 | 172.5 | 0 | 0 | 0 | 109.9 | M168 Y169 I251 L280 | M168-L253 HydrophobicContact SD-CD1 4.47Å; Y169-L253 PolarHBondContact O-N 2.95Å; I251-L253 HydrophobicContact CG2-CD2 3.92Å; I251-L253 HydrophobicContact CG2-CG 4.15Å; L253-L280 HydrophobicContact CD2-CB 4.14Å; L253-L280 HydrophobicContact CD2-CD2 3.59Å; L253-L280 HydrophobicContact CD2-CG 4.01Å |
| 254 | L | 91.8 | Very high | 88.7 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 116 | 176.6 | -172.3 | 64.2 | 0 | 0 | 0 | 110.2 | A171 W176 L256 L261 L266 L269 L280 L281 | A171-L254 HydrophobicContact CB-CD1 3.96Å; W176-L254 HydrophobicContact CH2-CB 4.18Å; W176-L254 HydrophobicContact CH2-CD1 4.43Å; L254-L256 HydrophobicContact CD2-CD2 4.41Å; L254-L256 HydrophobicContact CG-CD2 4.47Å; L254-L261 HydrophobicContact CD1-CD1 4.48Å; L254-L266 HydrophobicContact CD2-CD1 3.3Å; L254-L269 HydrophobicContact CD1-CD1 3.98Å; L254-L280 PolarHBondContact N-O 3.22Å; L254-L281 HydrophobicContact CB-CD2 3.74Å; L254-L281 HydrophobicContact CD2-CD2 3.55Å; L254-L281 HydrophobicContact CG-CD2 4.04Å |
| 255 | S | 86.6 | Confident | 88.4 | Confident | 62 Ų | 62 | 44.3 Ų | 44.3 | 43% | 0.434 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 124 | 172.2 | -178.6 | 0 | 0 | 0 | 0 | 110 | T257 | S255-T257 PolarHBondContact O-N 3.18Å; S255-T257 PolarHBondContact OG-N 3.32Å; S255-T257 PolarHBondContact OG-OG1 3.26Å |
| 256 | L | 83.4 | Confident | 88.4 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -5.6 | 177.9 | -58.4 | -175.9 | 0 | 0 | 0 | 113.3 | L254 L261 L281 V284 A287 L307 L312 | L254-L256 HydrophobicContact CD2-CD2 4.41Å; L254-L256 HydrophobicContact CG-CD2 4.47Å; L256-L261 HydrophobicContact CD2-CD2 4.07Å; L256-L281 HydrophobicContact CD2-CD2 4.37Å; L256-V284 HydrophobicContact CD1-CB 4.34Å; L256-V284 HydrophobicContact CD1-CG1 3.89Å; L256-A287 HydrophobicContact CB-CB 4.03Å; L256-A287 HydrophobicContact CD1-CB 4.21Å; L256-L307 HydrophobicContact CB-CD2 4.1Å; L256-L307 HydrophobicContact CD2-CD2 3.81Å; L256-L307 HydrophobicContact CG-CD2 4.38Å; L256-L312 HydrophobicContact CD1-CD1 4.32Å; L256-L312 HydrophobicContact CD1-CD2 3.99Å; L256-L312 HydrophobicContact CD2-CD1 4.45Å |
| 257 | T | 80.1 | Confident | 88.3 | Confident | 68 Ų | 68 | 41.3 Ų | 41.3 | 42% | 0.417 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -8.6 | -179.1 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | S255 S259 A286 | S255-T257 PolarHBondContact O-N 3.18Å; S255-T257 PolarHBondContact OG-N 3.32Å; S255-T257 PolarHBondContact OG-OG1 3.26Å; T257-S259 PolarHBondContact O-N 3.47Å; T257-A286 HydrophobicContact CG2-CB 3.66Å |
| 258 | D | 79.8 | Confident | 88.2 | Confident | 56 Ų | 56 | 44.3 Ų | 44.3 | 30% | 0.299 | 25% | 0.25 | S | C | . | . | trans | -60.9 | 121.1 | 179.2 | -177 | -6 | 0 | 0 | 0 | 110.9 | S260 L261 R265 | D258-S260 PolarHBondContact O-N 3.46Å; D258-S260 WeakPolarHBondContact OD1-CB 3.36Å; D258-S260 PolarHBondContact OD1-N 3.03Å; D258-S260 PolarHBondContact OD1-OG 2.75Å; D258-S260 PolarHBondContact OD2-OG 3.39Å; D258-L261 HydrophobicContact CB-CB 4.17Å; D258-L261 WeakPolarHBondContact O-CB 3.07Å; D258-L261 PolarHBondContact O-N 3.13Å; D258-L261 VanDerWaalsContact O-N 3.11Å; D258-R265 IonicContact OD2-NH1 2.94Å; D258-R265 IonicContact OD2-NH2 3.02Å | ||
| 259 | S | 75.1 | Confident | 88.3 | Confident | 80 Ų | 80 | 38.3 Ų | 38.3 | 56% | 0.559 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.4 | 179.2 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | T257 | T257-S259 PolarHBondContact O-N 3.47Š|
| 260 | S | 80.1 | Confident | 88.2 | Confident | 66 Ų | 66 | 37 Ų | 37 | 46% | 0.462 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -2.8 | 178.5 | 67.4 | 0 | 0 | 0 | 0 | 113.3 | D258 S262 R265 | D258-S260 PolarHBondContact O-N 3.46Å; D258-S260 WeakPolarHBondContact OD1-CB 3.36Å; D258-S260 PolarHBondContact OD1-N 3.03Å; D258-S260 PolarHBondContact OD1-OG 2.75Å; D258-S260 PolarHBondContact OD2-OG 3.39Å; S260-S262 PolarHBondContact O-N 3.46Å; S260-R265 PolarHBondContact O-NH1 2.84Å; S260-R265 PolarHBondContact OG-NH1 2.88Å |
| 261 | L | 84.4 | Confident | 87.9 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | trans | -82.9 | 114.6 | 177.5 | -171.5 | 67 | 0 | 0 | 0 | 109.8 | L254 L256 D258 R265 L266 L269 R306 L307 | L254-L261 HydrophobicContact CD1-CD1 4.48Å; L256-L261 HydrophobicContact CD2-CD2 4.07Å; D258-L261 HydrophobicContact CB-CB 4.17Å; D258-L261 WeakPolarHBondContact O-CB 3.07Å; D258-L261 PolarHBondContact O-N 3.13Å; D258-L261 VanDerWaalsContact O-N 3.11Å; L261-R265 HydrophobicContact CD1-CG 4.25Å; L261-L266 HydrophobicContact CD1-CB 4.2Å; L261-L269 HydrophobicContact CD1-CD1 4.01Å; L261-R306 CarbonylContact O-C 3.57Å; L261-L307 HydrophobicContact CD2-CD2 4.01Å; L261-L307 PolarHBondContact O-N 3.45Å | ||
| 262 | S | 87.8 | Confident | 87.7 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 22% | 0.224 | 24% | 0.243 | C | C | . | . | trans | -103.9 | 168.7 | 172.3 | 70.4 | 0 | 0 | 0 | 0 | 111.3 | S260 D264 R265 L266 G305 | S260-S262 PolarHBondContact O-N 3.46Å; S262-D264 PolarHBondContact O-N 3.36Å; S262-R265 PolarHBondContact O-N 3.31Å; S262-R265 WeakPolarHBondContact OG-CB 3.5Å; S262-R265 PolarHBondContact OG-N 2.79Å; S262-L266 WeakPolarHBondContact O-CB 3.44Å; S262-L266 PolarHBondContact O-N 2.86Å; S262-G305 VanDerWaalsContact CA-O 3.28Å; S262-G305 WeakPolarHBondContact CA-O 3.4Å; S262-G305 WeakPolarHBondContact CB-O 3.44Å | ||
| 263 | D | 88.1 | Confident | 87.5 | Confident | 37 Ų | 37 | 42.6 Ų | 42.6 | 20% | 0.198 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 176.2 | -65.7 | -6 | 0 | 0 | 0 | 111.9 | R265 L266 N267 L307 T308 G311 | D263-R265 VanDerWaalsContact C-N 3.34Å; D263-R265 PolarHBondContact O-N 3.32Å; D263-L266 PolarHBondContact O-N 2.95Å; D263-N267 WeakPolarHBondContact O-CB 3.41Å; D263-N267 PolarHBondContact O-N 2.97Å; D263-N267 PolarHBondContact O-ND2 2.85Å; D263-L307 WeakPolarHBondContact OD1-CA 3.38Å; D263-T308 PolarHBondContact OD1-N 2.9Å; D263-T308 PolarHBondContact OD1-OG1 3.12Å; D263-T308 WeakPolarHBondContact OD2-CG2 3.16Å; D263-T308 PolarHBondContact OD2-OG1 3.26Å; D263-G311 VanDerWaalsContact CG-CA 3.48Å |
| 264 | D | 88.1 | Confident | 87.2 | Confident | 132 Ų | 132 | 41.7 Ų | 41.7 | 71% | 0.706 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -64.2 | -40.7 | 178.9 | -62.3 | -45.4 | 0 | 0 | 0 | 111.8 | S262 N267 H268 | S262-D264 PolarHBondContact O-N 3.36Å; D264-N267 PolarHBondContact O-N 3.2Å; D264-H268 WeakPolarHBondContact O-CB 3.4Å; D264-H268 PolarHBondContact O-N 3.33Å |
| 265 | R | 90 | Very high | 86.9 | Confident | 24 Ų | 24 | 50 Ų | 50 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67 | -41.4 | 178.3 | -176.9 | 176.7 | 169.3 | -154.4 | -4.9 | 111.2 | G173 D258 S260 L261 S262 D263 H268 L269 | G173-R265 VanDerWaalsContact N-NH2 3.2Å; G173-R265 PolarHBondContact O-NE 3.03Å; G173-R265 PolarHBondContact O-NH2 2.89Å; D258-R265 IonicContact OD2-NH1 2.94Å; D258-R265 IonicContact OD2-NH2 3.02Å; S260-R265 PolarHBondContact O-NH1 2.84Å; S260-R265 PolarHBondContact OG-NH1 2.88Å; L261-R265 HydrophobicContact CD1-CG 4.25Å; S262-R265 PolarHBondContact O-N 3.31Å; S262-R265 WeakPolarHBondContact OG-CB 3.5Å; S262-R265 PolarHBondContact OG-N 2.79Å; D263-R265 VanDerWaalsContact C-N 3.34Å; D263-R265 PolarHBondContact O-N 3.32Å; R265-H268 PolarHBondContact O-N 3.4Å; R265-L269 HydrophobicContact CG-CD1 4.05Å; R265-L269 HydrophobicContact CG-CG 4.44Å; R265-L269 WeakPolarHBondContact O-CB 3.37Å; R265-L269 VanDerWaalsContact O-CG 3.27Å; R265-L269 WeakPolarHBondContact O-CG 3.41Å; R265-L269 PolarHBondContact O-N 2.81Å |
| 266 | L | 90.6 | Very high | 87 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 175.4 | 176.2 | 62.5 | 0 | 0 | 0 | 111.1 | L254 L261 S262 D263 H268 L269 L270 L307 L312 A315 | L254-L266 HydrophobicContact CD2-CD1 3.3Å; L261-L266 HydrophobicContact CD1-CB 4.2Å; S262-L266 WeakPolarHBondContact O-CB 3.44Å; S262-L266 PolarHBondContact O-N 2.86Å; D263-L266 PolarHBondContact O-N 2.95Å; L266-H268 VanDerWaalsContact C-N 3.31Å; L266-H268 PolarHBondContact O-N 2.95Å; L266-L269 PolarHBondContact O-N 2.93Å; L266-L270 HydrophobicContact CD1-CD1 4.23Å; L266-L270 HydrophobicContact CD1-CG 4.12Å; L266-L270 HydrophobicContact CG-CD1 4.39Å; L266-L270 WeakPolarHBondContact O-CG 3.35Å; L266-L270 PolarHBondContact O-N 2.98Å; L266-L307 HydrophobicContact CB-CD1 4.23Å; L266-L307 HydrophobicContact CD2-CD1 3.37Å; L266-L307 HydrophobicContact CD2-CD2 4.32Å; L266-L307 HydrophobicContact CG-CD1 4.41Å; L266-L312 HydrophobicContact CD2-CB 4.3Å; L266-L312 HydrophobicContact CD2-CD1 3.78Å; L266-A315 HydrophobicContact CD2-CB 3.74Å; L266-A315 HydrophobicContact CG-CB 3.76Å |
| 267 | N | 89.6 | Confident | 87.5 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.5 | -47.5 | 175.6 | -81.1 | -48.5 | 0 | 0 | 0 | 111.5 | D263 D264 L270 S271 A315 | D263-N267 WeakPolarHBondContact O-CB 3.41Å; D263-N267 PolarHBondContact O-N 2.97Å; D263-N267 PolarHBondContact O-ND2 2.85Å; D264-N267 PolarHBondContact O-N 3.2Å; N267-L270 PolarHBondContact O-N 2.64Å; N267-S271 PolarHBondContact O-N 3.2Å; N267-A315 WeakPolarHBondContact OD1-CA 3.43Å; N267-A315 WeakPolarHBondContact OD1-CB 3.47Å |
| 268 | H | 91 | Very high | 88.2 | Confident | 84 Ų | 84 | 51 Ų | 51 | 39% | 0.389 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.9 | -51 | 177.4 | -175.9 | -92.7 | 0 | 0 | 0 | 111.7 | S174 D264 R265 L266 L270 S271 V272 | S174-H268 PolarHBondContact O-CE1 3.45Å; S174-H268 PolarHBondContact O-ND1 2.7Å; D264-H268 WeakPolarHBondContact O-CB 3.4Å; D264-H268 PolarHBondContact O-N 3.33Å; R265-H268 PolarHBondContact O-N 3.4Å; L266-H268 VanDerWaalsContact C-N 3.31Å; L266-H268 PolarHBondContact O-N 2.95Å; H268-L270 VanDerWaalsContact C-N 3.3Å; H268-L270 PolarHBondContact O-N 3.23Å; H268-S271 PolarHBondContact O-N 2.79Å; H268-S271 PolarHBondContact O-OG 2.94Å; H268-V272 WeakPolarHBondContact O-CG2 3.31Å; H268-V272 PolarHBondContact O-N 3.18Å |
| 269 | L | 92.7 | Very high | 89 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.8 | -42.9 | 179.7 | -76 | 168.4 | 0 | 0 | 0 | 112.1 | A171 W176 L254 L261 R265 L266 S271 V272 A273 | A171-L269 HydrophobicContact CB-CD1 3.67Å; A171-L269 HydrophobicContact CB-CD2 3.86Å; A171-L269 HydrophobicContact CB-CG 4.44Å; W176-L269 HydrophobicContact CD2-CD2 4.45Å; W176-L269 HydrophobicContact CZ2-CB 4.15Å; W176-L269 HydrophobicContact CZ2-CD2 4.48Å; W176-L269 PolarHBondContact NE1-O 2.73Å; L254-L269 HydrophobicContact CD1-CD1 3.98Å; L261-L269 HydrophobicContact CD1-CD1 4.01Å; R265-L269 HydrophobicContact CG-CD1 4.05Å; R265-L269 HydrophobicContact CG-CG 4.44Å; R265-L269 WeakPolarHBondContact O-CB 3.37Å; R265-L269 VanDerWaalsContact O-CG 3.27Å; R265-L269 WeakPolarHBondContact O-CG 3.41Å; R265-L269 PolarHBondContact O-N 2.81Å; L266-L269 PolarHBondContact O-N 2.93Å; L269-S271 VanDerWaalsContact C-N 3.33Å; L269-S271 PolarHBondContact O-N 3.26Å; L269-V272 PolarHBondContact O-N 3.34Å; L269-A273 PolarHBondContact O-N 3.4Å |
| 270 | L | 91.2 | Very high | 90 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.7 | -33.4 | 176.8 | -68.6 | -174.1 | 0 | 0 | 0 | 112.5 | L266 N267 H268 V279 A315 T322 R325 | L266-L270 HydrophobicContact CD1-CD1 4.23Å; L266-L270 HydrophobicContact CD1-CG 4.12Å; L266-L270 HydrophobicContact CG-CD1 4.39Å; L266-L270 WeakPolarHBondContact O-CG 3.35Å; L266-L270 PolarHBondContact O-N 2.98Å; N267-L270 PolarHBondContact O-N 2.64Å; H268-L270 VanDerWaalsContact C-N 3.3Å; H268-L270 PolarHBondContact O-N 3.23Å; L270-V279 HydrophobicContact CD2-CG1 3.79Å; L270-V279 HydrophobicContact CD2-CG2 4.33Å; L270-A315 HydrophobicContact CD1-CB 3.73Å; L270-A315 WeakPolarHBondContact CD1-O 3.32Å; L270-T322 PolarHBondContact O-OG1 3.11Å; L270-R325 VanDerWaalsContact C-NH2 3.32Å; L270-R325 PolarHBondContact O-NE 3.22Å; L270-R325 PolarHBondContact O-NH2 3.45Å |
| 271 | S | 89 | Confident | 90.7 | Very high | 42 Ų | 42 | 41.5 Ų | 41.5 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70 | -36 | 175.8 | 71 | 0 | 0 | 0 | 0 | 113.5 | N267 H268 L269 T322 | N267-S271 PolarHBondContact O-N 3.2Å; H268-S271 PolarHBondContact O-N 2.79Å; H268-S271 PolarHBondContact O-OG 2.94Å; L269-S271 VanDerWaalsContact C-N 3.33Å; L269-S271 PolarHBondContact O-N 3.26Å; S271-T322 VanDerWaalsContact O-CG2 3.24Å; S271-T322 WeakPolarHBondContact O-CG2 3.26Å; S271-T322 PolarHBondContact O-OG1 2.88Å |
| 272 | V | 91.1 | Very high | 91 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 20.7 | -176 | -54.2 | 0 | 0 | 0 | 0 | 113 | W176 H268 L269 | W176-V272 VanDerWaalsContact CD1-O 3.31Å; H268-V272 WeakPolarHBondContact O-CG2 3.31Å; H268-V272 PolarHBondContact O-N 3.18Å; L269-V272 PolarHBondContact O-N 3.34Å |
| 273 | A | 91.5 | Very high | 90.9 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 133.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L269 V279 | L269-A273 PolarHBondContact O-N 3.4Å; A273-V279 HydrophobicContact CB-CG2 4.39Å |
| 274 | P | 90.3 | Very high | 90.9 | Very high | 32 Ų | 32 | 44.9 Ų | 44.9 | 21% | 0.208 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -52.4 | 148.4 | 174.9 | -25.6 | 33.2 | 0 | 0 | 0 | 112.2 | Y169 W176 C252 S277 | Y169-P274 HydrophobicContact CD1-CG 4.17Å; Y169-P274 HydrophobicContact CD2-CG 4.23Å; Y169-P274 HydrophobicContact CE1-CG 4.13Å; Y169-P274 HydrophobicContact CE2-CB 4.4Å; Y169-P274 HydrophobicContact CE2-CG 4.21Å; Y169-P274 HydrophobicContact CG-CG 4.22Å; W176-P274 HydrophobicContact CB-CG 4.25Å; W176-P274 HydrophobicContact CG-CG 4.4Å; C252-P274 VanDerWaalsContact SG-CD 3.59Å; P274-S277 VanDerWaalsContact O-CB 3.29Å; P274-S277 WeakPolarHBondContact O-CB 3.41Å; P274-S277 PolarHBondContact O-OG 2.94Å |
| 275 | Q | 84.7 | Confident | 90.7 | Very high | 181 Ų | 181 | 39 Ų | 39 | 85% | 0.846 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 149.7 | 173.4 | -65.1 | 178 | -10.1 | 0 | 0 | 110.6 | S277 | Q275-S277 VanDerWaalsContact C-N 3.3Å; Q275-S277 PolarHBondContact O-N 3.41Å |
| 276 | Q | 88.9 | Confident | 89.9 | Confident | 146 Ų | 146 | 39 Ų | 39 | 68% | 0.682 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 48.3 | 179.9 | -58.2 | 178.4 | -49.2 | 0 | 0 | 112.2 | H249 S250 | H249-Q276 WeakPolarHBondContact CA-O 3.39Å; H249-Q276 WeakPolarHBondContact CB-O 3.4Å; S250-Q276 PolarHBondContact N-O 3.04Å; S250-Q276 PolarHBondContact OG-O 3.46Å |
| 277 | S | 93.5 | Very high | 89.1 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 8% | 0.077 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.3 | 178.6 | 70.9 | 0 | 0 | 0 | 0 | 111.9 | S250 P274 Q275 | S250-S277 CarbonylContact O-C 3.58Å; S250-S277 WeakPolarHBondContact O-CA 3.4Å; S250-S277 WeakPolarHBondContact OG-CA 3.36Å; S250-S277 WeakPolarHBondContact OG-CB 3.08Å; P274-S277 VanDerWaalsContact O-CB 3.29Å; P274-S277 WeakPolarHBondContact O-CB 3.41Å; P274-S277 PolarHBondContact O-OG 2.94Å; Q275-S277 VanDerWaalsContact C-N 3.3Å; Q275-S277 PolarHBondContact O-N 3.41Å |
| 278 | L | 95.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123.2 | 168.8 | -54 | -175.3 | 0 | 0 | 0 | 108.3 | A244 H249 S250 I251 C252 I326 F328 | A244-L278 HydrophobicContact CB-CD1 3.79Å; H249-L278 HydrophobicContact CB-CD2 4.34Å; H249-L278 HydrophobicContact CB-CG 3.97Å; S250-L278 PolarHBondContact O-N 3.44Å; I251-L278 WeakPolarHBondContact CA-O 3.35Å; C252-L278 PolarHBondContact N-O 2.81Å; L278-I326 HydrophobicContact CD2-CB 3.69Å; L278-I326 HydrophobicContact CD2-CD1 3.8Å; L278-I326 HydrophobicContact CD2-CG1 4.33Å; L278-I326 HydrophobicContact CD2-CG2 3.81Å; L278-F328 HydrophobicContact CD1-CD2 4.43Å; L278-F328 HydrophobicContact CD1-CE2 4.21Å |
| 279 | V | 96.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 119.6 | 172.7 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | C252 L270 A273 L281 R325 I326 V327 F328 | C252-V279 HydrophobicContact CB-CG2 4.34Å; L270-V279 HydrophobicContact CD2-CG1 3.79Å; L270-V279 HydrophobicContact CD2-CG2 4.33Å; A273-V279 HydrophobicContact CB-CG2 4.39Å; V279-L281 HydrophobicContact CG1-CD2 3.95Å; V279-R325 HydrophobicContact CG2-CG 4.36Å; V279-I326 PolarHBondContact N-O 2.92Å; V279-V327 HydrophobicContact CB-CG2 4.31Å; V279-V327 CarbonylContact O-C 3.59Å; V279-V327 WeakPolarHBondContact O-CA 3.39Å; V279-F328 PolarHBondContact O-N 2.54Å |
| 280 | L | 96.6 | Very high | 85.2 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 113.7 | 178.7 | 174.8 | 52.1 | 0 | 0 | 0 | 109.9 | I240 I251 C252 L253 L254 E282 F328 T330 | I240-L280 HydrophobicContact CD1-CD1 3.64Å; I240-L280 HydrophobicContact CG2-CD1 4.41Å; I240-L280 HydrophobicContact CG2-CD2 4.07Å; I251-L280 HydrophobicContact CG2-CB 3.96Å; I251-L280 HydrophobicContact CG2-CD2 4.29Å; C252-L280 PolarHBondContact O-N 2.92Å; L253-L280 HydrophobicContact CD2-CB 4.14Å; L253-L280 HydrophobicContact CD2-CD2 3.59Å; L253-L280 HydrophobicContact CD2-CG 4.01Å; L254-L280 PolarHBondContact N-O 3.22Å; L280-E282 HydrophobicContact CD1-CG 4.19Å; L280-E282 HydrophobicContact CD2-CG 4.19Å; L280-E282 HydrophobicContact CG-CG 3.93Å; L280-F328 WeakPolarHBondContact CA-O 3.47Å; L280-F328 HydrophobicContact CD1-CB 4.12Å; L280-T330 HydrophobicContact CD1-CG2 4.14Å |
| 281 | L | 94.1 | Very high | 83.9 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 106.2 | 170.6 | -49.7 | -175 | 0 | 0 | 0 | 108.5 | L254 L256 V279 V284 L312 L316 V327 F328 M329 T330 | L254-L281 HydrophobicContact CB-CD2 3.74Å; L254-L281 HydrophobicContact CD2-CD2 3.55Å; L254-L281 HydrophobicContact CG-CD2 4.04Å; L256-L281 HydrophobicContact CD2-CD2 4.37Å; V279-L281 HydrophobicContact CG1-CD2 3.95Å; L281-V284 HydrophobicContact CB-CG1 3.71Å; L281-L312 HydrophobicContact CD1-CD1 4.33Å; L281-L316 HydrophobicContact CD1-CD2 4.26Å; L281-V327 HydrophobicContact CD1-CG1 4.07Å; L281-V327 HydrophobicContact CG-CG1 4.12Å; L281-F328 PolarHBondContact N-O 2.81Å; L281-M329 HydrophobicContact CB-CG 4.03Å; L281-M329 HydrophobicContact CD1-CG 3.95Å; L281-M329 HydrophobicContact CD1-SD 4.33Å; L281-M329 HydrophobicContact CG-CG 4.29Å; L281-M329 WeakPolarHBondContact O-CA 3.33Å; L281-T330 PolarHBondContact O-N 2.88Å |
| 282 | E | 90.3 | Very high | 82.6 | Confident | 72 Ų | 72 | 48.2 Ų | 48.2 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 146 | 176.8 | -68.6 | -153.9 | 141.5 | 0 | 0 | 112.4 | S237 L280 V284 T330 | S237-E282 WeakPolarHBondContact CB-OE1 3.08Å; S237-E282 PolarHBondContact OG-OE1 3.46Å; L280-E282 HydrophobicContact CD1-CG 4.19Å; L280-E282 HydrophobicContact CD2-CG 4.19Å; L280-E282 HydrophobicContact CG-CG 3.93Å; E282-V284 VanDerWaalsContact C-N 3.35Å; E282-V284 PolarHBondContact O-N 2.8Å; E282-T330 WeakPolarHBondContact CA-OG1 3.28Å |
| 283 | D | 85.7 | Confident | 81.3 | Confident | 68 Ų | 68 | 49.2 Ų | 49.2 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | trans | 47.1 | 54 | 174.9 | -64.1 | -38.6 | 0 | 0 | 0 | 112.6 | D285 A286 T330 N332 | D283-D285 PolarHBondContact O-N 3.32Å; D283-A286 HydrophobicContact CB-CB 4.37Å; D283-A286 VanDerWaalsContact O-CB 3.3Å; D283-A286 WeakPolarHBondContact O-CB 3.45Å; D283-A286 PolarHBondContact O-N 3.18Å; D283-T330 WeakPolarHBondContact CA-O 3.34Å; D283-T330 PolarHBondContact N-O 2.99Å; D283-T330 VanDerWaalsContact N-O 3.13Å; D283-T330 PolarHBondContact N-OG1 2.75Å; D283-N332 PolarHBondContact OD1-ND2 3.34Å; D283-N332 VanDerWaalsContact OD1-ND2 3.09Å | ||
| 284 | V | 88.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.8 | -177 | -69.9 | 0 | 0 | 0 | 0 | 112.8 | L256 L281 E282 A286 A287 F288 M329 T330 L337 | L256-V284 HydrophobicContact CD1-CB 4.34Å; L256-V284 HydrophobicContact CD1-CG1 3.89Å; L281-V284 HydrophobicContact CB-CG1 3.71Å; E282-V284 VanDerWaalsContact C-N 3.35Å; E282-V284 PolarHBondContact O-N 2.8Å; V284-A286 VanDerWaalsContact C-N 3.29Å; V284-A286 PolarHBondContact O-N 3.18Å; V284-A287 WeakPolarHBondContact O-CB 3.25Å; V284-A287 PolarHBondContact O-N 3.35Å; V284-F288 WeakPolarHBondContact O-CD2 3.33Å; V284-F288 WeakPolarHBondContact O-CE2 3.43Å; V284-M329 HydrophobicContact CG1-CB 4.08Å; V284-M329 HydrophobicContact CG1-CG 3.9Å; V284-M329 HydrophobicContact CG1-SD 4.28Å; V284-M329 HydrophobicContact CG2-CB 4.36Å; V284-T330 WeakPolarHBondContact CG2-O 3.46Å; V284-T330 PolarHBondContact N-O 2.84Å; V284-T330 VanDerWaalsContact N-O 3.08Å; V284-L337 HydrophobicContact CG2-CD1 4.25Å; V284-L337 HydrophobicContact CG2-CD2 3.93Å |
| 285 | D | 82.8 | Confident | 78.6 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25.4 | 174.2 | 54.6 | -61.8 | 0 | 0 | 0 | 113.8 | D283 A287 F288 L289 T331 H333 R336 L337 | D283-D285 PolarHBondContact O-N 3.32Å; D285-A287 VanDerWaalsContact C-N 3.27Å; D285-A287 PolarHBondContact O-N 2.71Å; D285-F288 WeakPolarHBondContact O-CB 3.36Å; D285-F288 PolarHBondContact O-N 3.1Å; D285-F288 VanDerWaalsContact O-N 3.1Å; D285-L289 PolarHBondContact O-N 3.35Å; D285-T331 WeakPolarHBondContact CB-OG1 3.37Å; D285-T331 WeakPolarHBondContact OD1-CA 3.45Å; D285-T331 WeakPolarHBondContact OD1-CB 3.34Å; D285-T331 PolarHBondContact OD1-OG1 3.45Å; D285-H333 IonicContact OD2-CD2 2.71Å; D285-H333 PolarHBondContact OD2-CD2 3.48Å; D285-R336 HydrophobicContact CB-CB 4.37Å; D285-L337 HydrophobicContact CB-CD2 4.23Å |
| 286 | A | 75.1 | Confident | 77.7 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 20% | 0.198 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.7 | -26.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T257 D283 V284 F288 L289 S290 | T257-A286 HydrophobicContact CG2-CB 3.66Å; D283-A286 HydrophobicContact CB-CB 4.37Å; D283-A286 VanDerWaalsContact O-CB 3.3Å; D283-A286 WeakPolarHBondContact O-CB 3.45Å; D283-A286 PolarHBondContact O-N 3.18Å; V284-A286 VanDerWaalsContact C-N 3.29Å; V284-A286 PolarHBondContact O-N 3.18Å; A286-F288 PolarHBondContact O-N 3.43Å; A286-L289 PolarHBondContact O-N 2.9Å; A286-S290 PolarHBondContact O-N 3.37Å; A286-S290 PolarHBondContact O-OG 2.59Å |
| 287 | A | 73.4 | Confident | 76.5 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -30.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L256 V284 D285 | L256-A287 HydrophobicContact CB-CB 4.03Å; L256-A287 HydrophobicContact CD1-CB 4.21Å; V284-A287 WeakPolarHBondContact O-CB 3.25Å; V284-A287 PolarHBondContact O-N 3.35Å; D285-A287 VanDerWaalsContact C-N 3.27Å; D285-A287 PolarHBondContact O-N 2.71Å |
| 288 | F | 68.3 | Low | 75.1 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 9% | 0.088 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -80.2 | -36.8 | 179.9 | -59.7 | -95.6 | 0 | 0 | 0 | 112.2 | V284 D285 A286 S290 R291 D292 F309 L337 D338 L341 | V284-F288 WeakPolarHBondContact O-CD2 3.33Å; V284-F288 WeakPolarHBondContact O-CE2 3.43Å; D285-F288 WeakPolarHBondContact O-CB 3.36Å; D285-F288 PolarHBondContact O-N 3.1Å; D285-F288 VanDerWaalsContact O-N 3.1Å; A286-F288 PolarHBondContact O-N 3.43Å; F288-S290 PolarHBondContact O-N 3.43Å; F288-R291 WeakPolarHBondContact O-CB 3.39Å; F288-R291 PolarHBondContact O-N 3.29Å; F288-D292 PolarHBondContact O-N 3.39Å; F288-F309 HydrophobicContact CD1-CD2 4.33Å; F288-F309 AromaticContact CE1-CD2 3.37Å; F288-F309 HydrophobicContact CE1-CD2 3.37Å; F288-F309 AromaticContact CE1-CE2 3.34Å; F288-F309 HydrophobicContact CE1-CE2 3.34Å; F288-F309 HydrophobicContact CE1-CG 4.23Å; F288-F309 HydrophobicContact CE1-CZ 4.15Å; F288-F309 AromaticContact CZ-CD2 3.73Å; F288-F309 HydrophobicContact CZ-CD2 3.73Å; F288-F309 AromaticContact CZ-CE2 3.53Å; F288-F309 HydrophobicContact CZ-CE2 3.53Å; F288-L337 HydrophobicContact CD2-CD2 4.04Å; F288-L337 HydrophobicContact CE2-CD2 3.53Å; F288-L337 HydrophobicContact CZ-CD2 4.16Å; F288-D338 HydrophobicContact CE1-CB 4.17Å; F288-L341 HydrophobicContact CE2-CD2 4.18Å; F288-L341 HydrophobicContact CZ-CD2 3.85Å |
| 289 | L | 64.1 | Low | 73.7 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 40% | 0.403 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.5 | -36.5 | 174.3 | -71.5 | 168.5 | 0 | 0 | 0 | 112.3 | D285 A286 R291 D292 L293 | D285-L289 PolarHBondContact O-N 3.35Å; A286-L289 PolarHBondContact O-N 2.9Å; L289-R291 PolarHBondContact O-N 3.18Å; L289-D292 PolarHBondContact O-N 2.95Å; L289-L293 WeakPolarHBondContact O-CG 3.41Å; L289-L293 PolarHBondContact O-N 3.47Å |
| 290 | S | 58.9 | Low | 72 | Confident | 26 Ų | 26 | 65.2 Ų | 65.2 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.6 | -25.5 | 175.7 | -67.9 | 0 | 0 | 0 | 0 | 113.1 | A286 F288 A294 R306 | A286-S290 PolarHBondContact O-N 3.37Å; A286-S290 PolarHBondContact O-OG 2.59Å; F288-S290 PolarHBondContact O-N 3.43Å; S290-A294 WeakPolarHBondContact O-CB 3.27Å; S290-A294 PolarHBondContact O-N 3.22Å; S290-R306 PolarHBondContact OG-NH2 3.14Å |
| 291 | R | 62.8 | Low | 70 | Confident | 132 Ų | 132 | 68.5 Ų | 68.5 | 50% | 0.498 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72.5 | -49 | 176.5 | 178 | -169.8 | 173.1 | -172.1 | -2.2 | 110.9 | F288 L289 L293 A294 V295 | F288-R291 WeakPolarHBondContact O-CB 3.39Å; F288-R291 PolarHBondContact O-N 3.29Å; L289-R291 PolarHBondContact O-N 3.18Å; R291-L293 VanDerWaalsContact C-N 3.27Å; R291-L293 PolarHBondContact O-N 3.49Å; R291-A294 WeakPolarHBondContact O-CB 3.19Å; R291-A294 PolarHBondContact O-N 2.92Å; R291-V295 WeakPolarHBondContact O-CG2 3.42Å; R291-V295 PolarHBondContact O-N 2.89Å |
| 292 | D | 63.3 | Low | 67.7 | Low | 95 Ų | 95 | 75.8 Ų | 75.8 | 51% | 0.508 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | -178.4 | -62.7 | -23.5 | 0 | 0 | 0 | 110.5 | F288 L289 A294 V295 E296 | F288-D292 PolarHBondContact O-N 3.39Å; L289-D292 PolarHBondContact O-N 2.95Å; D292-A294 VanDerWaalsContact C-N 3.34Å; D292-A294 PolarHBondContact O-N 3.29Å; D292-V295 PolarHBondContact O-N 2.95Å; D292-E296 PolarHBondContact O-N 2.93Å; D292-E296 VanDerWaalsContact O-N 3.09Å |
| 293 | L | 62.8 | Low | 65.9 | Low | 85 Ų | 85 | 76.4 Ų | 76.4 | 45% | 0.445 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.5 | -32.9 | 175 | -65.3 | 172.6 | 0 | 0 | 0 | 113.6 | L289 R291 N297 | L289-L293 WeakPolarHBondContact O-CG 3.41Å; L289-L293 PolarHBondContact O-N 3.47Å; R291-L293 VanDerWaalsContact C-N 3.27Å; R291-L293 PolarHBondContact O-N 3.49Å; L293-N297 PolarHBondContact O-N 3.49Å; L293-N297 VanDerWaalsContact O-N 3.08Å |
| 294 | A | 61.5 | Low | 64.5 | Low | 33 Ų | 33 | 77.6 Ų | 77.6 | 27% | 0.273 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -72.9 | -31.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S290 R291 D292 Y301 | S290-A294 WeakPolarHBondContact O-CB 3.27Å; S290-A294 PolarHBondContact O-N 3.22Å; R291-A294 WeakPolarHBondContact O-CB 3.19Å; R291-A294 PolarHBondContact O-N 2.92Å; D292-A294 VanDerWaalsContact C-N 3.34Å; D292-A294 PolarHBondContact O-N 3.29Å; A294-Y301 HydrophobicContact CB-CD2 4.17Å; A294-Y301 HydrophobicContact CB-CG 4.14Å |
| 295 | V | 64.3 | Low | 63.2 | Low | 109 Ų | 109 | 80.4 Ų | 80.4 | 66% | 0.661 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.7 | -38.3 | 173 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | R291 D292 | R291-V295 WeakPolarHBondContact O-CG2 3.42Å; R291-V295 PolarHBondContact O-N 2.89Å; D292-V295 PolarHBondContact O-N 2.95Å |
| 296 | E | 64.6 | Low | 62.7 | Low | 140 Ų | 140 | 83 Ų | 83 | 65% | 0.654 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.9 | -32.1 | 178 | -73.1 | -177.3 | 166.5 | 0 | 0 | 113.7 | D292 P298 | D292-E296 PolarHBondContact O-N 2.93Å; D292-E296 VanDerWaalsContact O-N 3.09Å; E296-P298 VanDerWaalsContact C-CD 3.48Å; E296-P298 WeakPolarHBondContact O-CD 3.42Å |
| 297 | N | 65.4 | Low | 63 | Low | 89 Ų | 89 | 83.3 Ų | 83.3 | 48% | 0.476 | 46% | 0.462 | S | S | . | . | trans | -127.9 | 62.3 | -176.1 | -71.4 | -74.4 | 0 | 0 | 0 | 113.9 | L293 V299 K300 Y301 | L293-N297 PolarHBondContact O-N 3.49Å; L293-N297 VanDerWaalsContact O-N 3.08Å; N297-V299 VanDerWaalsContact C-N 3.25Å; N297-V299 PolarHBondContact O-N 3.4Å; N297-V299 VanDerWaalsContact O-N 3.1Å; N297-K300 PolarHBondContact O-N 3.49Å; N297-K300 VanDerWaalsContact O-N 3.13Å; N297-Y301 HydrophobicContact CB-CD2 4.33Å; N297-Y301 HydrophobicContact CB-CE2 4.25Å; N297-Y301 VanDerWaalsContact O-CD2 3.3Å; N297-Y301 WeakPolarHBondContact O-CD2 3.26Å | ||
| 298 | P | 63.3 | Low | 63.4 | Low | 72 Ų | 72 | 85.1 Ų | 85.1 | 47% | 0.468 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.5 | -30.4 | -171.1 | 20.8 | -31.8 | 0 | 0 | 0 | 114.2 | E296 K300 Y301 Q302 | E296-P298 VanDerWaalsContact C-CD 3.48Å; E296-P298 WeakPolarHBondContact O-CD 3.42Å; P298-K300 PolarHBondContact O-N 2.86Å; P298-Y301 PolarHBondContact O-N 2.9Å; P298-Q302 WeakPolarHBondContact O-CB 3.24Å; P298-Q302 WeakPolarHBondContact O-CG 3.37Å; P298-Q302 PolarHBondContact O-N 3.36Å |
| 299 | V | 65.3 | Low | 64 | Low | 123 Ų | 123 | 86 Ų | 86 | 75% | 0.745 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.1 | -32.1 | -178.8 | -174.7 | 0 | 0 | 0 | 0 | 112.5 | N297 Y301 | N297-V299 VanDerWaalsContact C-N 3.25Å; N297-V299 PolarHBondContact O-N 3.4Å; N297-V299 VanDerWaalsContact O-N 3.1Å; V299-Y301 VanDerWaalsContact C-N 3.34Å |
| 300 | K | 60.4 | Low | 64.8 | Low | 167 Ų | 167 | 86 Ų | 86 | 73% | 0.726 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -80.1 | -20.4 | 179.7 | -162.7 | 176.5 | -179.2 | -178.9 | 0 | 112.4 | N297 P298 | N297-K300 PolarHBondContact O-N 3.49Å; N297-K300 VanDerWaalsContact O-N 3.13Å; P298-K300 PolarHBondContact O-N 2.86Å |
| 301 | Y | 55.8 | Low | 66.2 | Low | 71 Ų | 71 | 84.9 Ų | 84.9 | 28% | 0.278 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -112.3 | -1.8 | -175.8 | -64.6 | -76 | 0 | 0 | 0 | 113.8 | A294 N297 P298 V299 G303 L304 | A294-Y301 HydrophobicContact CB-CD2 4.17Å; A294-Y301 HydrophobicContact CB-CG 4.14Å; N297-Y301 HydrophobicContact CB-CD2 4.33Å; N297-Y301 HydrophobicContact CB-CE2 4.25Å; N297-Y301 VanDerWaalsContact O-CD2 3.3Å; N297-Y301 WeakPolarHBondContact O-CD2 3.26Å; P298-Y301 PolarHBondContact O-N 2.9Å; V299-Y301 VanDerWaalsContact C-N 3.34Å; Y301-G303 PolarHBondContact O-N 3.45Å; Y301-L304 HydrophobicContact CD1-CD1 4.27Å |
| 302 | Q | 45.6 | Very low | 67.4 | Low | 153 Ų | 153 | 78.7 Ų | 78.7 | 72% | 0.715 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 121.2 | 173 | -104.5 | 176.4 | -20.5 | 0 | 0 | 110.9 | P298 | P298-Q302 WeakPolarHBondContact O-CB 3.24Å; P298-Q302 WeakPolarHBondContact O-CG 3.37Å; P298-Q302 PolarHBondContact O-N 3.36Å |
| 303 | G | 52.8 | Low | 68.6 | Low | 85 Ų | 85 | 75 Ų | 75 | 88% | 0.876 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.2 | -5.8 | 174 | 0 | 0 | 0 | 0 | 0 | 116 | Y301 G305 | Y301-G303 PolarHBondContact O-N 3.45Å; G303-G305 PolarHBondContact O-N 3.28Å |
| 304 | L | 56.6 | Low | 69.7 | Low | 94 Ų | 94 | 75.4 Ų | 75.4 | 49% | 0.492 | 43% | 0.433 | S | S | . | . | trans | -78.1 | 112.6 | 168.2 | -75.4 | 159.3 | 0 | 0 | 0 | 108.2 | Y301 R306 | Y301-L304 HydrophobicContact CD1-CD1 4.27Å; L304-R306 PolarHBondContact O-N 3.02Å | ||
| 305 | G | 60.2 | Low | 71 | Confident | 59 Ų | 59 | 73.9 Ų | 73.9 | 61% | 0.608 | 42% | 0.42 | S | S | * | . | trans | -67.9 | 61.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S262 G303 | S262-G305 VanDerWaalsContact CA-O 3.28Å; S262-G305 WeakPolarHBondContact CA-O 3.4Å; S262-G305 WeakPolarHBondContact CB-O 3.44Å; G303-G305 PolarHBondContact O-N 3.28Å | ||
| 306 | R | 73.4 | Confident | 72.1 | Confident | 64 Ų | 64 | 69.1 Ų | 69.1 | 24% | 0.242 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 152.1 | -172.6 | -161.1 | 173.8 | -175.2 | -171.1 | -3.2 | 110.2 | L261 S290 L304 T308 | L261-R306 CarbonylContact O-C 3.57Å; S290-R306 PolarHBondContact OG-NH2 3.14Å; L304-R306 PolarHBondContact O-N 3.02Å; R306-T308 PolarHBondContact O-N 3.03Å |
| 307 | L | 79.9 | Confident | 73 | Confident | 29 Ų | 29 | 64.6 Ų | 64.6 | 15% | 0.152 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -50.9 | 123.7 | 174.6 | 179.3 | 66.8 | 0 | 0 | 0 | 111.2 | L256 L261 D263 L266 L312 | L256-L307 HydrophobicContact CB-CD2 4.1Å; L256-L307 HydrophobicContact CD2-CD2 3.81Å; L256-L307 HydrophobicContact CG-CD2 4.38Å; L261-L307 HydrophobicContact CD2-CD2 4.01Å; L261-L307 PolarHBondContact O-N 3.45Å; D263-L307 WeakPolarHBondContact OD1-CA 3.38Å; L266-L307 HydrophobicContact CB-CD1 4.23Å; L266-L307 HydrophobicContact CD2-CD1 3.37Å; L266-L307 HydrophobicContact CD2-CD2 4.32Å; L266-L307 HydrophobicContact CG-CD1 4.41Å; L307-L312 HydrophobicContact CD1-CB 4.31Å |
| 308 | T | 82.1 | Confident | 73.6 | Confident | 64 Ų | 64 | 61 Ų | 61 | 39% | 0.393 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -95.5 | 155.4 | 172 | 78 | 0 | 0 | 0 | 0 | 110.2 | D263 R306 S310 G311 L312 | D263-T308 PolarHBondContact OD1-N 2.9Å; D263-T308 PolarHBondContact OD1-OG1 3.12Å; D263-T308 WeakPolarHBondContact OD2-CG2 3.16Å; D263-T308 PolarHBondContact OD2-OG1 3.26Å; R306-T308 PolarHBondContact O-N 3.03Å; T308-S310 VanDerWaalsContact C-N 3.34Å; T308-S310 PolarHBondContact O-N 3.15Å; T308-G311 PolarHBondContact O-N 2.93Å; T308-G311 PolarHBondContact OG1-N 2.98Å; T308-L312 PolarHBondContact O-N 2.93Å |
| 309 | F | 80.3 | Confident | 74.1 | Confident | 40 Ų | 40 | 65.1 Ų | 65.1 | 18% | 0.175 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 175.5 | 176.7 | -118.5 | 0 | 0 | 0 | 111.5 | F288 G311 L312 L313 D338 L341 | F288-F309 HydrophobicContact CD1-CD2 4.33Å; F288-F309 AromaticContact CE1-CD2 3.37Å; F288-F309 HydrophobicContact CE1-CD2 3.37Å; F288-F309 AromaticContact CE1-CE2 3.34Å; F288-F309 HydrophobicContact CE1-CE2 3.34Å; F288-F309 HydrophobicContact CE1-CG 4.23Å; F288-F309 HydrophobicContact CE1-CZ 4.15Å; F288-F309 AromaticContact CZ-CD2 3.73Å; F288-F309 HydrophobicContact CZ-CD2 3.73Å; F288-F309 AromaticContact CZ-CE2 3.53Å; F288-F309 HydrophobicContact CZ-CE2 3.53Å; F309-G311 VanDerWaalsContact C-N 3.26Å; F309-G311 PolarHBondContact O-N 3.39Å; F309-L312 PolarHBondContact O-N 3.45Å; F309-L313 HydrophobicContact CD1-CD1 4.04Å; F309-L313 HydrophobicContact CD1-CG 4.39Å; F309-L313 HydrophobicContact CD2-CG 4.27Å; F309-L313 HydrophobicContact CE1-CD1 3.42Å; F309-L313 VanDerWaalsContact CE1-CD1 3.42Å; F309-L313 HydrophobicContact CE1-CD2 4.48Å; F309-L313 HydrophobicContact CE1-CG 3.99Å; F309-L313 HydrophobicContact CE2-CD1 4.14Å; F309-L313 HydrophobicContact CE2-CD2 3.7Å; F309-L313 HydrophobicContact CE2-CG 3.81Å; F309-L313 HydrophobicContact CZ-CD1 3.46Å; F309-L313 VanDerWaalsContact CZ-CD1 3.46Å; F309-L313 HydrophobicContact CZ-CD2 3.69Å; F309-L313 HydrophobicContact CZ-CG 3.66Å; F309-L313 WeakPolarHBondContact O-CG 3.25Å; F309-L313 PolarHBondContact O-N 3.29Å; F309-D338 HydrophobicContact CE1-CB 3.94Å; F309-D338 WeakPolarHBondContact CE1-OD2 3.41Å; F309-D338 HydrophobicContact CE2-CB 4.09Å; F309-D338 HydrophobicContact CZ-CB 3.41Å; F309-D338 VanDerWaalsContact CZ-CB 3.41Å; F309-L341 HydrophobicContact CE2-CB 4.26Å; F309-L341 HydrophobicContact CZ-CB 4.43Å |
| 310 | S | 82.4 | Confident | 74.4 | Confident | 75 Ų | 75 | 63.9 Ų | 63.9 | 52% | 0.524 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.2 | -38.5 | 174.4 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | T308 L313 N314 | T308-S310 VanDerWaalsContact C-N 3.34Å; T308-S310 PolarHBondContact O-N 3.15Å; S310-L313 PolarHBondContact O-N 3.42Å; S310-N314 WeakPolarHBondContact O-CB 3.41Å; S310-N314 PolarHBondContact O-N 3.35Å; S310-N314 PolarHBondContact O-ND2 2.95Å |
| 311 | G | 86.5 | Confident | 74.9 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.1 | -50.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D263 T308 F309 L313 N314 A315 | D263-G311 VanDerWaalsContact CG-CA 3.48Å; T308-G311 PolarHBondContact O-N 2.93Å; T308-G311 PolarHBondContact OG1-N 2.98Å; F309-G311 VanDerWaalsContact C-N 3.26Å; F309-G311 PolarHBondContact O-N 3.39Å; G311-L313 VanDerWaalsContact C-N 3.35Å; G311-L313 PolarHBondContact O-N 2.9Å; G311-N314 PolarHBondContact O-N 2.91Å; G311-A315 WeakPolarHBondContact O-CB 3.39Å; G311-A315 PolarHBondContact O-N 3.31Å |
| 312 | L | 88.4 | Confident | 75.8 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 175 | 175.8 | 62.7 | 0 | 0 | 0 | 111.9 | L256 L266 L281 L307 T308 F309 N314 A315 L316 L341 | L256-L312 HydrophobicContact CD1-CD1 4.32Å; L256-L312 HydrophobicContact CD1-CD2 3.99Å; L256-L312 HydrophobicContact CD2-CD1 4.45Å; L266-L312 HydrophobicContact CD2-CB 4.3Å; L266-L312 HydrophobicContact CD2-CD1 3.78Å; L281-L312 HydrophobicContact CD1-CD1 4.33Å; L307-L312 HydrophobicContact CD1-CB 4.31Å; T308-L312 PolarHBondContact O-N 2.93Å; F309-L312 PolarHBondContact O-N 3.45Å; L312-N314 VanDerWaalsContact C-N 3.33Å; L312-N314 PolarHBondContact O-N 3.09Å; L312-A315 PolarHBondContact O-N 3.37Å; L312-L316 HydrophobicContact CD1-CD1 4.21Å; L312-L316 HydrophobicContact CD1-CG 4.27Å; L312-L316 HydrophobicContact CG-CD1 4.31Å; L312-L316 WeakPolarHBondContact O-CG 3.42Å; L312-L316 PolarHBondContact O-N 3.28Å; L312-L341 HydrophobicContact CD2-CD1 4.32Å |
| 313 | L | 88.6 | Confident | 77.5 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 9% | 0.089 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 179 | -73.3 | -166.5 | 0 | 0 | 0 | 112.8 | F309 S310 G311 D317 A340 L341 R346 | F309-L313 HydrophobicContact CD1-CD1 4.04Å; F309-L313 HydrophobicContact CD1-CG 4.39Å; F309-L313 HydrophobicContact CD2-CG 4.27Å; F309-L313 HydrophobicContact CE1-CD1 3.42Å; F309-L313 VanDerWaalsContact CE1-CD1 3.42Å; F309-L313 HydrophobicContact CE1-CD2 4.48Å; F309-L313 HydrophobicContact CE1-CG 3.99Å; F309-L313 HydrophobicContact CE2-CD1 4.14Å; F309-L313 HydrophobicContact CE2-CD2 3.7Å; F309-L313 HydrophobicContact CE2-CG 3.81Å; F309-L313 HydrophobicContact CZ-CD1 3.46Å; F309-L313 VanDerWaalsContact CZ-CD1 3.46Å; F309-L313 HydrophobicContact CZ-CD2 3.69Å; F309-L313 HydrophobicContact CZ-CG 3.66Å; F309-L313 WeakPolarHBondContact O-CG 3.25Å; F309-L313 PolarHBondContact O-N 3.29Å; S310-L313 PolarHBondContact O-N 3.42Å; G311-L313 VanDerWaalsContact C-N 3.35Å; G311-L313 PolarHBondContact O-N 2.9Å; L313-D317 PolarHBondContact O-N 2.84Å; L313-A340 HydrophobicContact CD1-CB 4.31Å; L313-L341 HydrophobicContact CD2-CB 4.1Å; L313-L341 HydrophobicContact CD2-CD1 3.62Å; L313-L341 HydrophobicContact CD2-CG 4.49Å; L313-R346 PolarHBondContact O-NH2 3.36Å |
| 314 | N | 87.3 | Confident | 78.9 | Confident | 95 Ų | 95 | 54.4 Ų | 54.4 | 51% | 0.508 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.2 | -30.7 | 175.5 | -71.9 | -19.7 | 0 | 0 | 0 | 111.8 | S310 G311 L312 G318 | S310-N314 WeakPolarHBondContact O-CB 3.41Å; S310-N314 PolarHBondContact O-N 3.35Å; S310-N314 PolarHBondContact O-ND2 2.95Å; G311-N314 PolarHBondContact O-N 2.91Å; L312-N314 VanDerWaalsContact C-N 3.33Å; L312-N314 PolarHBondContact O-N 3.09Å; N314-G318 WeakPolarHBondContact O-CA 3.38Å; N314-G318 PolarHBondContact O-N 3.47Å |
| 315 | A | 87.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.2 | -32.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L266 N267 L270 G311 L312 S321 R325 | L266-A315 HydrophobicContact CD2-CB 3.74Å; L266-A315 HydrophobicContact CG-CB 3.76Å; N267-A315 WeakPolarHBondContact OD1-CA 3.43Å; N267-A315 WeakPolarHBondContact OD1-CB 3.47Å; L270-A315 HydrophobicContact CD1-CB 3.73Å; L270-A315 WeakPolarHBondContact CD1-O 3.32Å; G311-A315 WeakPolarHBondContact O-CB 3.39Å; G311-A315 PolarHBondContact O-N 3.31Å; L312-A315 PolarHBondContact O-N 3.37Å; A315-S321 PolarHBondContact O-OG 3.42Å; A315-R325 PolarHBondContact O-NH1 3.01Å |
| 316 | L | 87.1 | Confident | 82.1 | Confident | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.8 | -43.7 | 176.7 | -68.9 | 174.8 | 0 | 0 | 0 | 112.6 | L281 L312 V327 M329 L341 R346 | L281-L316 HydrophobicContact CD1-CD2 4.26Å; L312-L316 HydrophobicContact CD1-CD1 4.21Å; L312-L316 HydrophobicContact CD1-CG 4.27Å; L312-L316 HydrophobicContact CG-CD1 4.31Å; L312-L316 WeakPolarHBondContact O-CG 3.42Å; L312-L316 PolarHBondContact O-N 3.28Å; L316-V327 HydrophobicContact CD2-CG1 4.17Å; L316-V327 HydrophobicContact CD2-CG2 4.5Å; L316-M329 HydrophobicContact CD1-CE 4.4Å; L316-M329 HydrophobicContact CD1-SD 4.35Å; L316-L341 HydrophobicContact CD1-CD1 3.62Å; L316-R346 HydrophobicContact CB-CG 4.42Å |
| 317 | D | 83.8 | Confident | 83.1 | Confident | 45 Ų | 45 | 45.4 Ų | 45.4 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -127.8 | 22.3 | -170.8 | -166.8 | 27.1 | 0 | 0 | 0 | 114 | R223 L313 R343 R346 | R223-D317 IonicContact NH2-OD1 3.68Å; R223-D317 PolarHBondContact NH2-OD1 2.93Å; L313-D317 PolarHBondContact O-N 2.84Å; D317-R343 IonicContact OD2-CZ 3.34Å; D317-R343 IonicContact OD2-NH1 3.39Å; D317-R343 PolarHBondContact OD2-NH1 2.82Å; D317-R343 IonicContact OD2-NH2 2.68Å; D317-R343 PolarHBondContact OD2-NH2 3.07Å; D317-R346 HydrophobicContact CB-CG 3.83Å |
| 318 | G | 77.6 | Confident | 84 | Confident | 15 Ų | 15 | 44 Ų | 44 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | trans | -70 | 154.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N314 A320 S321 | N314-G318 WeakPolarHBondContact O-CA 3.38Å; N314-G318 PolarHBondContact O-N 3.47Å; G318-A320 PolarHBondContact O-N 3.44Å; G318-S321 VanDerWaalsContact O-CB 3.3Å; G318-S321 WeakPolarHBondContact O-CB 3.45Å; G318-S321 PolarHBondContact O-N 2.69Å; G318-S321 VanDerWaalsContact O-N 3.11Å; G318-S321 PolarHBondContact O-OG 3.22Å | ||
| 319 | V | 73.5 | Confident | 84.6 | Confident | 158 Ų | 158 | 41 Ų | 41 | 96% | 0.958 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -28.8 | 174.7 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | S321 | V319-S321 VanDerWaalsContact C-N 3.32Š|
| 320 | A | 72.3 | Confident | 85.4 | Confident | 97 Ų | 97 | 39.2 Ų | 39.2 | 80% | 0.802 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 1.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | G318 | G318-A320 PolarHBondContact O-N 3.44Š|
| 321 | S | 71.7 | Confident | 85.9 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 133.1 | -178.1 | -72.1 | 0 | 0 | 0 | 0 | 111.9 | R223 A315 G318 V319 | R223-S321 PolarHBondContact NH1-O 3.37Å; R223-S321 VanDerWaalsContact NH1-O 3.13Å; A315-S321 PolarHBondContact O-OG 3.42Å; G318-S321 VanDerWaalsContact O-CB 3.3Å; G318-S321 WeakPolarHBondContact O-CB 3.45Å; G318-S321 PolarHBondContact O-N 2.69Å; G318-S321 VanDerWaalsContact O-N 3.11Å; G318-S321 PolarHBondContact O-OG 3.22Å; V319-S321 VanDerWaalsContact C-N 3.32Å |
| 322 | T | 74.7 | Confident | 86.2 | Confident | 52 Ų | 52 | 37.4 Ų | 37.4 | 32% | 0.319 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -62.8 | 154.5 | 176.7 | 50 | 0 | 0 | 0 | 0 | 113.7 | L270 S271 R325 | L270-T322 PolarHBondContact O-OG1 3.11Å; S271-T322 VanDerWaalsContact O-CG2 3.24Å; S271-T322 WeakPolarHBondContact O-CG2 3.26Å; S271-T322 PolarHBondContact O-OG1 2.88Å; T322-R325 VanDerWaalsContact N-NH2 3.15Å; T322-R325 PolarHBondContact OG1-NH2 2.9Å |
| 323 | E | 80.4 | Confident | 86.3 | Confident | 141 Ų | 141 | 41.2 Ų | 41.2 | 66% | 0.659 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -83.3 | 170.3 | 178 | -60 | -175.2 | 166.4 | 0 | 0 | 111.8 | ||
| 324 | A | 83.4 | Confident | 86.5 | Confident | 69 Ų | 69 | 42.1 Ų | 42.1 | 57% | 0.57 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 58.5 | 46.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y222 | Y222-A324 VanDerWaalsContact CD1-CA 3.41Å; Y222-A324 HydrophobicContact CD1-CB 3.69Å; Y222-A324 HydrophobicContact CE1-CB 3.76Å; Y222-A324 WeakPolarHBondContact O-CA 3.14Å; Y222-A324 PolarHBondContact O-N 3.45Å |
| 325 | R | 88.6 | Confident | 86.6 | Confident | 11 Ų | 11 | 45 Ų | 45 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.1 | -176.9 | -165.4 | -169 | -58.7 | 159.8 | -2.4 | 112.1 | Y222 R223 R224 L270 V279 A315 T322 V327 | Y222-R325 PolarHBondContact O-N 2.94Å; R223-R325 WeakPolarHBondContact CA-O 3.46Å; R223-R325 HydrophobicContact CG-CB 4.42Å; R224-R325 PolarHBondContact N-O 3.4Å; L270-R325 VanDerWaalsContact C-NH2 3.32Å; L270-R325 PolarHBondContact O-NE 3.22Å; L270-R325 PolarHBondContact O-NH2 3.45Å; V279-R325 HydrophobicContact CG2-CG 4.36Å; A315-R325 PolarHBondContact O-NH1 3.01Å; T322-R325 VanDerWaalsContact N-NH2 3.15Å; T322-R325 PolarHBondContact OG1-NH2 2.9Å; R325-V327 HydrophobicContact CG-CG2 3.99Å |
| 326 | I | 94.6 | Very high | 86.6 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.9 | 169.2 | -58.4 | 167.8 | 0 | 0 | 0 | 108.4 | V205 F208 I209 R224 Y226 L278 V279 F328 | V205-I326 HydrophobicContact CG1-CD1 4.11Å; F208-I326 HydrophobicContact CD1-CD1 3.93Å; F208-I326 HydrophobicContact CD1-CG1 3.74Å; F208-I326 HydrophobicContact CE1-CD1 4.07Å; F208-I326 HydrophobicContact CE1-CG1 3.49Å; F208-I326 VanDerWaalsContact CE1-CG1 3.49Å; I209-I326 HydrophobicContact CD1-CD1 4.14Å; I209-I326 HydrophobicContact CG1-CD1 4.02Å; R224-I326 WeakPolarHBondContact O-CA 3.05Å; Y226-I326 HydrophobicContact CD2-CG2 3.89Å; Y226-I326 HydrophobicContact CE2-CG2 3.71Å; L278-I326 HydrophobicContact CD2-CB 3.69Å; L278-I326 HydrophobicContact CD2-CD1 3.8Å; L278-I326 HydrophobicContact CD2-CG1 4.33Å; L278-I326 HydrophobicContact CD2-CG2 3.81Å; V279-I326 PolarHBondContact N-O 2.92Å; I326-F328 HydrophobicContact CG2-CD2 3.93Å; I326-F328 HydrophobicContact CG2-CE2 3.58Å |
| 327 | V | 95.3 | Very high | 86.6 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.9 | 178.5 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | R224 G225 Y226 V279 L281 L316 R325 M329 | R224-V327 PolarHBondContact O-N 2.74Å; G225-V327 WeakPolarHBondContact CA-O 3.27Å; Y226-V327 PolarHBondContact N-O 3.37Å; V279-V327 HydrophobicContact CB-CG2 4.31Å; V279-V327 CarbonylContact O-C 3.59Å; V279-V327 WeakPolarHBondContact O-CA 3.39Å; L281-V327 HydrophobicContact CD1-CG1 4.07Å; L281-V327 HydrophobicContact CG-CG1 4.12Å; L316-V327 HydrophobicContact CD2-CG1 4.17Å; L316-V327 HydrophobicContact CD2-CG2 4.5Å; R325-V327 HydrophobicContact CG-CG2 3.99Å; V327-M329 HydrophobicContact CG1-CG 4.37Å |
| 328 | F | 97.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.3 | 168.4 | -80.8 | -93.4 | 0 | 0 | 0 | 109.8 | I201 V205 Y226 I240 L243 L278 V279 L280 L281 I326 | I201-F328 HydrophobicContact CG2-CE1 4.33Å; I201-F328 HydrophobicContact CG2-CZ 4.42Å; V205-F328 HydrophobicContact CG2-CZ 4.04Å; Y226-F328 VanDerWaalsContact CB-CD1 3.49Å; Y226-F328 VanDerWaalsContact CB-CE1 3.48Å; Y226-F328 HydrophobicContact CD1-CE1 4.16Å; Y226-F328 HydrophobicContact CD1-CZ 4.25Å; Y226-F328 HydrophobicContact CD2-CD1 4.46Å; Y226-F328 HydrophobicContact CD2-CD2 4.28Å; Y226-F328 HydrophobicContact CD2-CE1 4.01Å; Y226-F328 AromaticContact CD2-CE2 3.81Å; Y226-F328 HydrophobicContact CD2-CE2 3.81Å; Y226-F328 AromaticContact CD2-CZ 3.65Å; Y226-F328 HydrophobicContact CD2-CZ 3.65Å; Y226-F328 HydrophobicContact CE2-CE2 4.31Å; Y226-F328 HydrophobicContact CE2-CZ 4.15Å; Y226-F328 HydrophobicContact CG-CD1 4.11Å; Y226-F328 AromaticContact CG-CE1 3.62Å; Y226-F328 HydrophobicContact CG-CE1 3.62Å; Y226-F328 HydrophobicContact CG-CE2 4.29Å; Y226-F328 AromaticContact CG-CZ 3.71Å; Y226-F328 HydrophobicContact CG-CZ 3.71Å; I240-F328 HydrophobicContact CD1-CB 3.87Å; I240-F328 HydrophobicContact CD1-CD1 4.03Å; I240-F328 HydrophobicContact CD1-CG 4.21Å; I240-F328 HydrophobicContact CG1-CB 4.31Å; I240-F328 HydrophobicContact CG1-CD1 3.82Å; I240-F328 HydrophobicContact CG1-CE1 4.44Å; I240-F328 HydrophobicContact CG1-CG 4.14Å; I240-F328 HydrophobicContact CG2-CB 4.34Å; I240-F328 HydrophobicContact CG2-CG 4.28Å; L243-F328 HydrophobicContact CD2-CE1 4.04Å; L243-F328 HydrophobicContact CD2-CE2 4.1Å; L243-F328 HydrophobicContact CD2-CZ 3.44Å; L243-F328 VanDerWaalsContact CD2-CZ 3.44Å; L278-F328 HydrophobicContact CD1-CD2 4.43Å; L278-F328 HydrophobicContact CD1-CE2 4.21Å; V279-F328 PolarHBondContact O-N 2.54Å; L280-F328 WeakPolarHBondContact CA-O 3.47Å; L280-F328 HydrophobicContact CD1-CB 4.12Å; L281-F328 PolarHBondContact N-O 2.81Å; I326-F328 HydrophobicContact CG2-CD2 3.93Å; I326-F328 HydrophobicContact CG2-CE2 3.58Å |
| 329 | M | 96.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 136.9 | 172.5 | -71.3 | 177.9 | -92.2 | 0 | 0 | 109.4 | Y226 L227 L228 L281 V284 L316 V327 V347 | Y226-M329 PolarHBondContact O-N 3.32Å; L227-M329 WeakPolarHBondContact CA-O 3.48Å; L227-M329 HydrophobicContact CD1-CB 3.78Å; L228-M329 PolarHBondContact N-O 2.56Å; L281-M329 HydrophobicContact CB-CG 4.03Å; L281-M329 HydrophobicContact CD1-CG 3.95Å; L281-M329 HydrophobicContact CD1-SD 4.33Å; L281-M329 HydrophobicContact CG-CG 4.29Å; L281-M329 WeakPolarHBondContact O-CA 3.33Å; V284-M329 HydrophobicContact CG1-CB 4.08Å; V284-M329 HydrophobicContact CG1-CG 3.9Å; V284-M329 HydrophobicContact CG1-SD 4.28Å; V284-M329 HydrophobicContact CG2-CB 4.36Å; L316-M329 HydrophobicContact CD1-CE 4.4Å; L316-M329 HydrophobicContact CD1-SD 4.35Å; V327-M329 HydrophobicContact CG1-CG 4.37Å; M329-V347 HydrophobicContact CE-CG2 3.37Å |
| 330 | T | 95.3 | Very high | 88 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 140.4 | 171.1 | 66.2 | 0 | 0 | 0 | 0 | 110.6 | L228 K236 I240 L280 L281 E282 D283 V284 | L228-T330 WeakPolarHBondContact O-CA 3.34Å; K236-T330 HydrophobicContact CB-CG2 4.03Å; I240-T330 HydrophobicContact CD1-CG2 3.48Å; I240-T330 VanDerWaalsContact CD1-CG2 3.48Å; L280-T330 HydrophobicContact CD1-CG2 4.14Å; L281-T330 PolarHBondContact O-N 2.88Å; E282-T330 WeakPolarHBondContact CA-OG1 3.28Å; D283-T330 WeakPolarHBondContact CA-O 3.34Å; D283-T330 PolarHBondContact N-O 2.99Å; D283-T330 VanDerWaalsContact N-O 3.13Å; D283-T330 PolarHBondContact N-OG1 2.75Å; V284-T330 WeakPolarHBondContact CG2-O 3.46Å; V284-T330 PolarHBondContact N-O 2.84Å; V284-T330 VanDerWaalsContact N-O 3.08Å |
| 331 | T | 94.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 150 | 173.5 | -176.9 | 0 | 0 | 0 | 0 | 111 | L227 L228 Y229 G230 K236 D285 H333 V334 L337 | L227-T331 HydrophobicContact CD1-CG2 3.99Å; L228-T331 PolarHBondContact O-N 3.33Å; Y229-T331 WeakPolarHBondContact CA-O 3.32Å; G230-T331 PolarHBondContact N-O 3.15Å; K236-T331 WeakPolarHBondContact CE-O 3.32Å; D285-T331 WeakPolarHBondContact CB-OG1 3.37Å; D285-T331 WeakPolarHBondContact OD1-CA 3.45Å; D285-T331 WeakPolarHBondContact OD1-CB 3.34Å; D285-T331 PolarHBondContact OD1-OG1 3.45Å; T331-H333 PolarHBondContact OG1-N 3.32Å; T331-H333 VanDerWaalsContact OG1-N 3.14Å; T331-V334 HydrophobicContact CG2-CB 4.42Å; T331-L337 HydrophobicContact CG2-CD1 3.88Å |
| 332 | N | 93.1 | Very high | 89.8 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -90.5 | -20.7 | 170.7 | -58.8 | -53.5 | 0 | 0 | 0 | 112.4 | G230 K236 D283 | G230-N332 WeakPolarHBondContact O-CA 3.23Å; K236-N332 PolarHBondContact NZ-OD1 2.83Å; D283-N332 PolarHBondContact OD1-ND2 3.34Å; D283-N332 VanDerWaalsContact OD1-ND2 3.09Å |
| 333 | H | 90.2 | Very high | 90.6 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | trans | -135.8 | 84.3 | -172.8 | -60.2 | -67.7 | 0 | 0 | 0 | 110.9 | D285 T331 D335 R336 | D285-H333 IonicContact OD2-CD2 2.71Å; D285-H333 PolarHBondContact OD2-CD2 3.48Å; T331-H333 PolarHBondContact OG1-N 3.32Å; T331-H333 VanDerWaalsContact OG1-N 3.14Å; H333-D335 PolarHBondContact O-N 3.45Å; H333-R336 HydrophobicContact CB-CB 4.41Å; H333-R336 HydrophobicContact CB-CG 3.93Å; H333-R336 PolarHBondContact CD2-NH1 3.46Å; H333-R336 PolarHBondContact O-N 2.9Å; H333-R336 VanDerWaalsContact O-N 3.13Å | ||
| 334 | V | 91.7 | Very high | 91 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 22% | 0.218 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -59.4 | -31.1 | 179.7 | 68.8 | 0 | 0 | 0 | 0 | 112.6 | L227 Y229 T331 R336 L337 | L227-V334 HydrophobicContact CD2-CG2 4.35Å; Y229-V334 HydrophobicContact CD2-CB 3.67Å; Y229-V334 HydrophobicContact CD2-CG1 3.62Å; Y229-V334 HydrophobicContact CD2-CG2 4.15Å; Y229-V334 HydrophobicContact CE2-CB 4.33Å; Y229-V334 HydrophobicContact CE2-CG1 3.9Å; Y229-V334 HydrophobicContact CG-CB 3.97Å; Y229-V334 HydrophobicContact CG-CG1 4.41Å; Y229-V334 HydrophobicContact CG-CG2 4.17Å; T331-V334 HydrophobicContact CG2-CB 4.42Å; V334-R336 PolarHBondContact O-N 2.89Å; V334-R336 VanDerWaalsContact O-N 3.15Å; V334-L337 WeakPolarHBondContact O-CB 3.39Å; V334-L337 PolarHBondContact O-N 3.44Å |
| 335 | D | 89.9 | Confident | 91.1 | Very high | 154 Ų | 154 | 45.1 Ų | 45.1 | 82% | 0.824 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -66.1 | -16.7 | -178.9 | -49.2 | -45.2 | 0 | 0 | 0 | 113.3 | H333 | H333-D335 PolarHBondContact O-N 3.45Š|
| 336 | R | 87.3 | Confident | 91.2 | Very high | 121 Ų | 121 | 46 Ų | 46 | 46% | 0.457 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -86.6 | -10.1 | 175.8 | -63.8 | -177.1 | -179.1 | 165.8 | -0.9 | 113.1 | D285 H333 V334 | D285-R336 HydrophobicContact CB-CB 4.37Å; H333-R336 HydrophobicContact CB-CB 4.41Å; H333-R336 HydrophobicContact CB-CG 3.93Å; H333-R336 PolarHBondContact CD2-NH1 3.46Å; H333-R336 PolarHBondContact O-N 2.9Å; H333-R336 VanDerWaalsContact O-N 3.13Å; V334-R336 PolarHBondContact O-N 2.89Å; V334-R336 VanDerWaalsContact O-N 3.15Å |
| 337 | L | 87.6 | Confident | 91.2 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 6% | 0.063 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -82.5 | 133.5 | -178.9 | -58.5 | -175.5 | 0 | 0 | 0 | 110.4 | L227 V284 D285 F288 T331 V334 L341 I342 | L227-L337 HydrophobicContact CD1-CD1 4.09Å; L227-L337 HydrophobicContact CD2-CD1 4.03Å; V284-L337 HydrophobicContact CG2-CD1 4.25Å; V284-L337 HydrophobicContact CG2-CD2 3.93Å; D285-L337 HydrophobicContact CB-CD2 4.23Å; F288-L337 HydrophobicContact CD2-CD2 4.04Å; F288-L337 HydrophobicContact CE2-CD2 3.53Å; F288-L337 HydrophobicContact CZ-CD2 4.16Å; T331-L337 HydrophobicContact CG2-CD1 3.88Å; V334-L337 WeakPolarHBondContact O-CB 3.39Å; V334-L337 PolarHBondContact O-N 3.44Å; L337-L341 HydrophobicContact CD1-CD2 4.45Å; L337-L341 HydrophobicContact CD2-CD2 4.15Å; L337-I342 HydrophobicContact CB-CG2 4.47Å; L337-I342 HydrophobicContact CD1-CG2 4.25Å |
| 338 | D | 86.9 | Confident | 91.2 | Very high | 55 Ų | 55 | 47.8 Ų | 47.8 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | trans | -63.2 | 131.7 | 173 | -171.5 | -52.2 | 0 | 0 | 0 | 110.1 | F288 F309 A340 L341 | F288-D338 HydrophobicContact CE1-CB 4.17Å; F309-D338 HydrophobicContact CE1-CB 3.94Å; F309-D338 WeakPolarHBondContact CE1-OD2 3.41Å; F309-D338 HydrophobicContact CE2-CB 4.09Å; F309-D338 HydrophobicContact CZ-CB 3.41Å; F309-D338 VanDerWaalsContact CZ-CB 3.41Å; D338-A340 PolarHBondContact O-N 3.38Å; D338-A340 WeakPolarHBondContact OD1-CB 3.34Å; D338-A340 PolarHBondContact OD1-N 3.3Å; D338-L341 WeakPolarHBondContact O-CB 3.29Å; D338-L341 PolarHBondContact O-N 2.96Å | ||
| 339 | P | 89 | Confident | 91.2 | Very high | 101 Ų | 101 | 49.2 Ų | 49.2 | 66% | 0.656 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -28.8 | 176.7 | -28.6 | 36 | 0 | 0 | 0 | 114.3 | L341 I342 | P339-L341 VanDerWaalsContact C-N 3.29Å; P339-L341 PolarHBondContact O-N 3.34Å; P339-I342 WeakPolarHBondContact O-CG1 3.45Å; P339-I342 PolarHBondContact O-N 2.86Å |
| 340 | A | 88.6 | Confident | 91.2 | Very high | 36 Ų | 36 | 54 Ų | 54 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -28.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L313 D338 R343 R346 | L313-A340 HydrophobicContact CD1-CB 4.31Å; D338-A340 PolarHBondContact O-N 3.38Å; D338-A340 WeakPolarHBondContact OD1-CB 3.34Å; D338-A340 PolarHBondContact OD1-N 3.3Å; A340-R343 WeakPolarHBondContact O-CG 2.97Å; A340-R346 WeakPolarHBondContact O-CD 3.38Å; A340-R346 PolarHBondContact O-NH1 3.29Å |
| 341 | L | 89.4 | Confident | 91.3 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -38.6 | 176.4 | -177.7 | 65.8 | 0 | 0 | 0 | 111.2 | F288 F309 L312 L313 L316 L337 D338 P339 R343 R346 | F288-L341 HydrophobicContact CE2-CD2 4.18Å; F288-L341 HydrophobicContact CZ-CD2 3.85Å; F309-L341 HydrophobicContact CE2-CB 4.26Å; F309-L341 HydrophobicContact CZ-CB 4.43Å; L312-L341 HydrophobicContact CD2-CD1 4.32Å; L313-L341 HydrophobicContact CD2-CB 4.1Å; L313-L341 HydrophobicContact CD2-CD1 3.62Å; L313-L341 HydrophobicContact CD2-CG 4.49Å; L316-L341 HydrophobicContact CD1-CD1 3.62Å; L337-L341 HydrophobicContact CD1-CD2 4.45Å; L337-L341 HydrophobicContact CD2-CD2 4.15Å; D338-L341 WeakPolarHBondContact O-CB 3.29Å; D338-L341 PolarHBondContact O-N 2.96Å; P339-L341 VanDerWaalsContact C-N 3.29Å; P339-L341 PolarHBondContact O-N 3.34Å; L341-R343 VanDerWaalsContact C-N 3.35Å; L341-R343 PolarHBondContact O-N 2.95Å; L341-R346 WeakPolarHBondContact O-CB 3.31Å |
| 342 | I | 91.4 | Very high | 91.4 | Very high | 36 Ų | 36 | 59.7 Ų | 59.7 | 19% | 0.185 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 17.3 | -170.6 | 62.7 | 168.6 | 0 | 0 | 0 | 114.2 | L227 L337 P339 V347 K350 | L227-I342 HydrophobicContact CD2-CG2 3.84Å; L337-I342 HydrophobicContact CB-CG2 4.47Å; L337-I342 HydrophobicContact CD1-CG2 4.25Å; P339-I342 WeakPolarHBondContact O-CG1 3.45Å; P339-I342 PolarHBondContact O-N 2.86Å; I342-V347 HydrophobicContact CG2-CG2 4.43Å; I342-K350 HydrophobicContact CB-CD 4.25Å |
| 343 | R | 91.7 | Very high | 91.6 | Very high | 100 Ų | 100 | 57.9 Ų | 57.9 | 38% | 0.377 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -75.2 | 151.2 | 176.8 | 72.5 | -178.1 | 178.8 | 95.3 | -3.1 | 111.4 | D317 A340 L341 R346 V347 | D317-R343 IonicContact OD2-CZ 3.34Å; D317-R343 IonicContact OD2-NH1 3.39Å; D317-R343 PolarHBondContact OD2-NH1 2.82Å; D317-R343 IonicContact OD2-NH2 2.68Å; D317-R343 PolarHBondContact OD2-NH2 3.07Å; A340-R343 WeakPolarHBondContact O-CG 2.97Å; L341-R343 VanDerWaalsContact C-N 3.35Å; L341-R343 PolarHBondContact O-N 2.95Å; R343-R346 HydrophobicContact CG-CB 4.49Å; R343-R346 HydrophobicContact CG-CG 4.37Å; R343-R346 VanDerWaalsContact NE-CZ 3.32Å; R343-R346 VanDerWaalsContact NH2-CZ 3.31Å; R343-R346 VanDerWaalsContact NH2-NH2 3.2Å; R343-R346 PolarHBondContact O-N 2.85Å; R343-V347 PolarHBondContact O-N 2.78Å |
| 344 | P | 88.9 | Confident | 91.9 | Very high | 106 Ų | 106 | 54 Ų | 54 | 69% | 0.688 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 140.5 | 171 | -26.5 | 35.4 | 0 | 0 | 0 | 112.2 | R346 | P344-R346 VanDerWaalsContact C-N 3.32Š|
| 345 | G | 85.4 | Confident | 92.1 | Very high | 36 Ų | 36 | 55.7 Ų | 55.7 | 37% | 0.371 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -20.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D348 | G345-D348 PolarHBondContact N-OD1 2.85Š|
| 346 | R | 91.3 | Very high | 92.4 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 11% | 0.106 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -46.2 | 168.6 | -69.4 | 179.2 | 178.4 | 155 | -1.1 | 111.7 | G225 L313 L316 D317 A340 L341 R343 P344 | G225-R346 WeakPolarHBondContact CA-O 3.44Å; L313-R346 PolarHBondContact O-NH2 3.36Å; L316-R346 HydrophobicContact CB-CG 4.42Å; D317-R346 HydrophobicContact CB-CG 3.83Å; A340-R346 WeakPolarHBondContact O-CD 3.38Å; A340-R346 PolarHBondContact O-NH1 3.29Å; L341-R346 WeakPolarHBondContact O-CB 3.31Å; R343-R346 HydrophobicContact CG-CB 4.49Å; R343-R346 HydrophobicContact CG-CG 4.37Å; R343-R346 VanDerWaalsContact NE-CZ 3.32Å; R343-R346 VanDerWaalsContact NH2-CZ 3.31Å; R343-R346 VanDerWaalsContact NH2-NH2 3.2Å; R343-R346 PolarHBondContact O-N 2.85Å; P344-R346 VanDerWaalsContact C-N 3.32Å |
| 347 | V | 95 | Very high | 92.9 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | trans | -130.8 | 111.7 | 172.6 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | L227 M329 I342 R343 K350 | L227-V347 HydrophobicContact CB-CG1 3.57Å; L227-V347 HydrophobicContact CB-CG2 4.41Å; M329-V347 HydrophobicContact CE-CG2 3.37Å; I342-V347 HydrophobicContact CG2-CG2 4.43Å; R343-V347 PolarHBondContact O-N 2.78Å; V347-K350 HydrophobicContact CG1-CD 4.22Å; V347-K350 HydrophobicContact CG1-CG 3.49Å; V347-K350 VanDerWaalsContact CG1-CG 3.49Å | ||
| 348 | D | 95.1 | Very high | 93.3 | Very high | 52 Ų | 52 | 47.3 Ų | 47.3 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -95.9 | -32.9 | -177.2 | -53.4 | -61.8 | 0 | 0 | 0 | 111.4 | R224 G225 G345 | R224-D348 WeakPolarHBondContact CA-OD2 3.39Å; G225-D348 PolarHBondContact N-OD2 2.94Å; G225-D348 PolarHBondContact O-N 3.11Å; G345-D348 PolarHBondContact N-OD1 2.85Å |
| 349 | L | 96.6 | Very high | 93.7 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.1 | 177.2 | -174.1 | 64.6 | 0 | 0 | 0 | 111.3 | I201 D204 G225 Y226 L227 E351 | I201-L349 HydrophobicContact CG1-CD2 4.28Å; D204-L349 HydrophobicContact CB-CD2 4.12Å; G225-L349 PolarHBondContact O-N 3.25Å; Y226-L349 WeakPolarHBondContact CA-O 3.46Å; Y226-L349 HydrophobicContact CD1-CB 3.81Å; Y226-L349 HydrophobicContact CD1-CD2 3.91Å; Y226-L349 HydrophobicContact CD1-CG 4.32Å; Y226-L349 HydrophobicContact CE1-CB 4.01Å; Y226-L349 HydrophobicContact CE1-CD2 3.8Å; L227-L349 PolarHBondContact N-O 3.11Å; L349-E351 HydrophobicContact CD1-CG 4.34Å; L349-E351 HydrophobicContact CD2-CG 4.28Å; L349-E351 HydrophobicContact CG-CG 4.06Å |
| 350 | K | 96.2 | Very high | 94.1 | Very high | 103 Ų | 103 | 44.1 Ų | 44.1 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 121 | 177.9 | -63.6 | -179.4 | -67.9 | -168.6 | 0 | 109 | L227 Y229 I342 V347 | L227-K350 HydrophobicContact CB-CG 4.2Å; L227-K350 HydrophobicContact CD2-CD 4.34Å; L227-K350 HydrophobicContact CD2-CG 4.22Å; L227-K350 WeakPolarHBondContact O-CA 3.5Å; Y229-K350 HydrophobicContact CE1-CB 4.36Å; I342-K350 HydrophobicContact CB-CD 4.25Å; V347-K350 HydrophobicContact CG1-CD 4.22Å; V347-K350 HydrophobicContact CG1-CG 3.49Å; V347-K350 VanDerWaalsContact CG1-CG 3.49Å |
| 351 | E | 97.3 | Very high | 94.4 | Very high | 23 Ų | 23 | 42.4 Ų | 42.4 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.6 | -177.9 | -72.3 | -64.5 | 174.2 | 0 | 0 | 112.1 | L197 R200 I201 L227 L228 Y229 L349 | L197-E351 HydrophobicContact CD1-CB 3.79Å; L197-E351 HydrophobicContact CD1-CG 3.76Å; L197-E351 WeakPolarHBondContact CD1-OE2 3.38Å; R200-E351 WeakPolarHBondContact CD-OE1 3.47Å; R200-E351 IonicContact CZ-OE1 3.75Å; R200-E351 IonicContact NE-OE1 3.85Å; R200-E351 IonicContact NH1-OE1 3.75Å; R200-E351 PolarHBondContact NH1-OE1 3.09Å; R200-E351 IonicContact NH1-OE2 3.98Å; R200-E351 PolarHBondContact NH1-OE2 3.47Å; I201-E351 HydrophobicContact CD1-CB 4.31Å; I201-E351 HydrophobicContact CD1-CG 4.23Å; I201-E351 HydrophobicContact CG1-CG 4.09Å; L227-E351 PolarHBondContact O-N 2.84Å; L228-E351 WeakPolarHBondContact CA-O 3.24Å; L228-E351 HydrophobicContact CD2-CB 3.95Å; Y229-E351 VanDerWaalsContact CD1-O 3.25Å; Y229-E351 WeakPolarHBondContact CD1-O 3.34Å; Y229-E351 PolarHBondContact N-O 3Å; Y229-E351 VanDerWaalsContact N-O 3.09Å; L349-E351 HydrophobicContact CD1-CG 4.34Å; L349-E351 HydrophobicContact CD2-CG 4.28Å; L349-E351 HydrophobicContact CG-CG 4.06Å |
| 352 | Y | 97.3 | Very high | 94.8 | Very high | 96 Ų | 96 | 42.6 Ų | 42.6 | 38% | 0.376 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 128 | 179.1 | 177.7 | -109.8 | 0 | 0 | 0 | 110.7 | L197 Y229 | L197-Y352 WeakPolarHBondContact CD2-O 3.49Å; Y229-Y352 AromaticContact CD2-CD2 3.84Å; Y229-Y352 HydrophobicContact CD2-CD2 3.84Å; Y229-Y352 AromaticContact CE2-CD2 3.59Å; Y229-Y352 HydrophobicContact CE2-CD2 3.59Å; Y229-Y352 HydrophobicContact CE2-CG 4.27Å; Y229-Y352 CarbonylContact O-C 3.51Å; Y229-Y352 WeakPolarHBondContact O-CA 3.38Å; Y229-Y352 WeakPolarHBondContact O-CD2 3.49Å |
| 353 | V | 97.4 | Very high | 95 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | trans | -118.5 | 93.1 | 177.4 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | L193 L197 L228 Y229 C234 K236 | L193-V353 HydrophobicContact CD2-CG1 3.86Å; L197-V353 HydrophobicContact CD2-CG2 4.18Å; L228-V353 HydrophobicContact CB-CG2 4.38Å; Y229-V353 PolarHBondContact O-N 3.17Å; C234-V353 HydrophobicContact CB-CG1 3.96Å; C234-V353 WeakPolarHBondContact CB-O 3.4Å; C234-V353 VanDerWaalsContact O-CG1 3.25Å; C234-V353 WeakPolarHBondContact O-CG1 3.46Å; K236-V353 HydrophobicContact CG-CB 3.99Å; K236-V353 HydrophobicContact CG-CG1 4.23Å; K236-V353 HydrophobicContact CG-CG2 4.32Å | ||
| 354 | G | 95.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | trans | -98.9 | -167 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | C234 | C234-G354 WeakPolarHBondContact CB-O 3.31Å; C234-G354 PolarHBondContact SG-O 3.09Å | ||
| 355 | Y | 96.6 | Very high | 95.6 | Very high | 71 Ų | 71 | 33.7 Ų | 33.7 | 28% | 0.278 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -62.1 | 164.8 | 173.5 | -62.8 | -68.7 | 0 | 0 | 0 | 112.6 | P231 S357 Q360 Q390 I391 | P231-Y355 HydrophobicContact CB-CE1 4.06Å; P231-Y355 HydrophobicContact CB-CE2 4.2Å; P231-Y355 HydrophobicContact CG-CD2 4.13Å; P231-Y355 HydrophobicContact CG-CE1 4.21Å; P231-Y355 HydrophobicContact CG-CE2 3.53Å; Y355-S357 PolarHBondContact O-N 2.79Å; Y355-Q360 PolarHBondContact O-OE1 2.88Å; Y355-Q390 HydrophobicContact CD1-CB 4.06Å; Y355-Q390 HydrophobicContact CD2-CB 3.84Å; Y355-Q390 HydrophobicContact CD2-CG 3.75Å; Y355-Q390 HydrophobicContact CE1-CB 4.09Å; Y355-Q390 HydrophobicContact CE2-CB 3.89Å; Y355-Q390 HydrophobicContact CE2-CG 3.83Å; Y355-Q390 HydrophobicContact CG-CB 3.93Å; Y355-Q390 HydrophobicContact CG-CG 4.28Å; Y355-Q390 PolarHBondContact OH-OE1 3.3Å; Y355-I391 WeakPolarHBondContact CB-O 3.44Å |
| 356 | C | 96.4 | Very high | 96 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 7% | 0.074 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 125.8 | -177.2 | -65.9 | 0 | 0 | 0 | 0 | 112.3 | Q360 L361 I391 P393 | C356-Q360 HydrophobicContact CB-CB 4.38Å; C356-L361 HydrophobicContact CB-CD2 3.77Å; C356-L361 HydrophobicContact CB-CG 3.91Å; C356-I391 HydrophobicContact CB-CG2 3.95Å; C356-I391 PolarHBondContact N-O 2.75Å; C356-P393 WeakPolarHBondContact SG-CD 3.44Å; C356-P393 VanDerWaalsContact SG-N 3.4Å |
| 357 | S | 96.1 | Very high | 96.2 | Very high | 38 Ų | 38 | 38.6 Ų | 38.6 | 27% | 0.266 | 17% | 0.174 | S | C | . | . | P | Polyproline II helix | trans | -79.1 | 165.7 | 162 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | Y355 W359 Q360 L361 | Y355-S357 PolarHBondContact O-N 2.79Å; S357-W359 PolarHBondContact O-N 2.85Å; S357-Q360 PolarHBondContact O-N 2.78Å; S357-Q360 WeakPolarHBondContact OG-CG 3.33Å; S357-Q360 PolarHBondContact OG-N 2.88Å; S357-Q360 PolarHBondContact OG-OE1 2.84Å; S357-L361 PolarHBondContact O-N 2.87Å |
| 358 | H | 96.1 | Very high | 96.2 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 28% | 0.282 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -49.3 | -46 | 171 | -175.1 | -75.6 | 0 | 0 | 0 | 112.3 | Q360 L361 S362 E378 A381 L385 | H358-Q360 PolarHBondContact O-N 3.36Å; H358-L361 PolarHBondContact O-N 2.95Å; H358-S362 PolarHBondContact O-N 3.41Å; H358-S362 VanDerWaalsContact O-N 3.12Å; H358-S362 PolarHBondContact O-OG 2.87Å; H358-E378 IonicContact CE1-OE1 2.79Å; H358-E378 IonicContact CE1-OE2 3.4Å; H358-E378 PolarHBondContact CE1-OE2 3.48Å; H358-E378 IonicContact NE2-OE2 3.32Å; H358-A381 WeakPolarHBondContact NE2-CB 3.29Å; H358-L385 HydrophobicContact CB-CD1 3.82Å |
| 359 | W | 95.9 | Very high | 96.2 | Very high | 88 Ų | 88 | 40.4 Ų | 40.4 | 33% | 0.333 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 177.4 | -175 | 87.8 | 0 | 0 | 0 | 111.9 | V192 L193 Q195 S357 L361 S362 Q363 | V192-W359 HydrophobicContact CG1-CZ3 3.97Å; L193-W359 WeakPolarHBondContact O-CZ3 3.34Å; Q195-W359 HydrophobicContact CB-CD2 3.88Å; Q195-W359 HydrophobicContact CB-CE3 4.14Å; Q195-W359 HydrophobicContact CB-CG 4.29Å; Q195-W359 HydrophobicContact CB-CZ2 4.29Å; Q195-W359 HydrophobicContact CB-CZ3 4.47Å; Q195-W359 HydrophobicContact CG-CD2 4.35Å; Q195-W359 HydrophobicContact CG-CZ2 4.07Å; S357-W359 PolarHBondContact O-N 2.85Å; W359-L361 PolarHBondContact O-N 3.3Å; W359-S362 PolarHBondContact O-N 3.02Å; W359-Q363 HydrophobicContact CD2-CG 3.73Å; W359-Q363 HydrophobicContact CE3-CB 4.48Å; W359-Q363 HydrophobicContact CE3-CG 3.91Å; W359-Q363 HydrophobicContact CG-CG 4.37Å; W359-Q363 HydrophobicContact CH2-CG 3.91Å; W359-Q363 HydrophobicContact CZ2-CG 3.73Å; W359-Q363 HydrophobicContact CZ3-CB 4.45Å; W359-Q363 HydrophobicContact CZ3-CG 3.97Å; W359-Q363 VanDerWaalsContact O-CB 3.25Å; W359-Q363 WeakPolarHBondContact O-CB 3.48Å; W359-Q363 WeakPolarHBondContact O-CG 3.23Å; W359-Q363 PolarHBondContact O-N 2.75Å |
| 360 | Q | 96.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 179.1 | -75.8 | 171.2 | -75.5 | 0 | 0 | 112.2 | V192 L193 Q194 Y355 C356 S357 H358 Q363 M364 | V192-Q360 HydrophobicContact CG1-CB 4.29Å; V192-Q360 HydrophobicContact CG1-CG 4.17Å; V192-Q360 PolarHBondContact O-NE2 2.76Å; L193-Q360 VanDerWaalsContact C-NE2 3.31Å; L193-Q360 VanDerWaalsContact O-CG 3.22Å; L193-Q360 WeakPolarHBondContact O-CG 3.3Å; Q194-Q360 VanDerWaalsContact CG-OE1 3.29Å; Y355-Q360 PolarHBondContact O-OE1 2.88Å; C356-Q360 HydrophobicContact CB-CB 4.38Å; S357-Q360 PolarHBondContact O-N 2.78Å; S357-Q360 WeakPolarHBondContact OG-CG 3.33Å; S357-Q360 PolarHBondContact OG-N 2.88Å; S357-Q360 PolarHBondContact OG-OE1 2.84Å; H358-Q360 PolarHBondContact O-N 3.36Å; Q360-Q363 PolarHBondContact O-N 3.43Å; Q360-M364 WeakPolarHBondContact O-CB 3.38Å; Q360-M364 VanDerWaalsContact O-CG 3.22Å; Q360-M364 WeakPolarHBondContact O-CG 2.92Å; Q360-M364 PolarHBondContact O-N 2.72Å |
| 361 | L | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.6 | -47.7 | 178.2 | -68 | 171.2 | 0 | 0 | 0 | 111.3 | C356 S357 H358 W359 Q363 M364 F365 F380 A381 V384 L385 I391 V396 | C356-L361 HydrophobicContact CB-CD2 3.77Å; C356-L361 HydrophobicContact CB-CG 3.91Å; S357-L361 PolarHBondContact O-N 2.87Å; H358-L361 PolarHBondContact O-N 2.95Å; W359-L361 PolarHBondContact O-N 3.3Å; L361-Q363 VanDerWaalsContact C-N 3.34Å; L361-Q363 PolarHBondContact O-N 2.78Å; L361-M364 PolarHBondContact O-N 3.13Å; L361-F365 WeakPolarHBondContact O-CB 3.43Å; L361-F365 PolarHBondContact O-N 2.88Å; L361-F380 HydrophobicContact CB-CE1 4.49Å; L361-F380 HydrophobicContact CD2-CE1 4.28Å; L361-A381 HydrophobicContact CB-CB 3.74Å; L361-A381 HydrophobicContact CD1-CB 4.29Å; L361-V384 HydrophobicContact CD1-CB 4.06Å; L361-V384 HydrophobicContact CD1-CG1 3.84Å; L361-V384 HydrophobicContact CD2-CG1 4.08Å; L361-L385 HydrophobicContact CD1-CD1 4.38Å; L361-L385 HydrophobicContact CD1-CD2 3.96Å; L361-L385 HydrophobicContact CD1-CG 3.81Å; L361-I391 HydrophobicContact CD2-CG2 4.38Å; L361-V396 HydrophobicContact CD2-CG1 4.49Å; L361-V396 HydrophobicContact CD2-CG2 3.79Å |
| 362 | S | 96.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 178.4 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | H358 W359 F365 Q366 | H358-S362 PolarHBondContact O-N 3.41Å; H358-S362 VanDerWaalsContact O-N 3.12Å; H358-S362 PolarHBondContact O-OG 2.87Å; W359-S362 PolarHBondContact O-N 3.02Å; S362-F365 PolarHBondContact O-N 3.45Å; S362-Q366 WeakPolarHBondContact O-CG 3.43Å; S362-Q366 PolarHBondContact O-N 3.02Å; S362-Q366 VanDerWaalsContact O-N 3.1Å |
| 363 | Q | 96 | Very high | 95.6 | Very high | 46 Ų | 46 | 43.6 Ų | 43.6 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.2 | -34.9 | 178.6 | -77.2 | -57 | -58.2 | 0 | 0 | 113.8 | V192 W359 Q360 L361 R367 | V192-Q363 HydrophobicContact CG1-CB 3.58Å; W359-Q363 HydrophobicContact CD2-CG 3.73Å; W359-Q363 HydrophobicContact CE3-CB 4.48Å; W359-Q363 HydrophobicContact CE3-CG 3.91Å; W359-Q363 HydrophobicContact CG-CG 4.37Å; W359-Q363 HydrophobicContact CH2-CG 3.91Å; W359-Q363 HydrophobicContact CZ2-CG 3.73Å; W359-Q363 HydrophobicContact CZ3-CB 4.45Å; W359-Q363 HydrophobicContact CZ3-CG 3.97Å; W359-Q363 VanDerWaalsContact O-CB 3.25Å; W359-Q363 WeakPolarHBondContact O-CB 3.48Å; W359-Q363 WeakPolarHBondContact O-CG 3.23Å; W359-Q363 PolarHBondContact O-N 2.75Å; Q360-Q363 PolarHBondContact O-N 3.43Å; L361-Q363 VanDerWaalsContact C-N 3.34Å; L361-Q363 PolarHBondContact O-N 2.78Å; Q363-R367 WeakPolarHBondContact O-CD 3.5Å; Q363-R367 VanDerWaalsContact O-CG 3.31Å; Q363-R367 WeakPolarHBondContact O-CG 3.41Å; Q363-R367 PolarHBondContact O-N 2.86Å; Q363-R367 PolarHBondContact O-NH1 3.06Å |
| 364 | M | 96.2 | Very high | 95.5 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 4% | 0.044 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.8 | -44.4 | 173.2 | -72.3 | -178.3 | 71.7 | 0 | 0 | 110.5 | V192 Q360 L361 Q366 R367 F368 P393 V396 F400 | V192-M364 HydrophobicContact CB-CG 3.78Å; V192-M364 HydrophobicContact CG1-CG 4.14Å; V192-M364 HydrophobicContact CG2-CG 3.8Å; Q360-M364 WeakPolarHBondContact O-CB 3.38Å; Q360-M364 VanDerWaalsContact O-CG 3.22Å; Q360-M364 WeakPolarHBondContact O-CG 2.92Å; Q360-M364 PolarHBondContact O-N 2.72Å; L361-M364 PolarHBondContact O-N 3.13Å; M364-Q366 PolarHBondContact O-N 3.33Å; M364-R367 WeakPolarHBondContact O-CB 3.43Å; M364-R367 PolarHBondContact O-N 3.41Å; M364-R367 VanDerWaalsContact O-N 3.09Å; M364-F368 WeakPolarHBondContact O-CD2 3.33Å; M364-F368 PolarHBondContact O-N 3.44Å; M364-P393 HydrophobicContact CE-CB 4.21Å; M364-P393 HydrophobicContact SD-CB 4.1Å; M364-V396 HydrophobicContact CE-CB 3.88Å; M364-V396 HydrophobicContact CE-CG1 3.75Å; M364-V396 HydrophobicContact SD-CB 4.37Å; M364-V396 HydrophobicContact SD-CG1 4.15Å; M364-F400 HydrophobicContact CB-CE2 4.09Å |
| 365 | F | 96.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.3 | -49.7 | 178.5 | -175 | -86.8 | 0 | 0 | 0 | 111.9 | L361 S362 R367 F368 Y369 Q372 L376 A377 F380 F400 P407 I411 | L361-F365 WeakPolarHBondContact O-CB 3.43Å; L361-F365 PolarHBondContact O-N 2.88Å; S362-F365 PolarHBondContact O-N 3.45Å; F365-R367 PolarHBondContact O-N 3.22Å; F365-F368 PolarHBondContact O-N 2.95Å; F365-Y369 HydrophobicContact CD1-CD2 4.33Å; F365-Y369 AromaticContact CD2-CD2 3.79Å; F365-Y369 HydrophobicContact CD2-CD2 3.79Å; F365-Y369 HydrophobicContact CD2-CE2 4.06Å; F365-Y369 HydrophobicContact CE1-CD2 4.2Å; F365-Y369 AromaticContact CE2-CD2 3.64Å; F365-Y369 HydrophobicContact CE2-CD2 3.64Å; F365-Y369 AromaticContact CE2-CE2 3.91Å; F365-Y369 HydrophobicContact CE2-CE2 3.91Å; F365-Y369 HydrophobicContact CG-CD2 4.14Å; F365-Y369 AromaticContact CZ-CD2 3.87Å; F365-Y369 HydrophobicContact CZ-CD2 3.87Å; F365-Y369 PolarHBondContact O-N 2.84Å; F365-Q372 HydrophobicContact CE1-CB 4.37Å; F365-L376 HydrophobicContact CE1-CB 4.02Å; F365-L376 HydrophobicContact CZ-CB 4.25Å; F365-A377 HydrophobicContact CB-CB 4.2Å; F365-A377 HydrophobicContact CD1-CB 3.68Å; F365-A377 HydrophobicContact CE1-CB 4.45Å; F365-A377 HydrophobicContact CG-CB 4.21Å; F365-F380 HydrophobicContact CB-CD1 4.13Å; F365-F380 HydrophobicContact CD2-CB 3.76Å; F365-F380 AromaticContact CD2-CD1 3.85Å; F365-F380 HydrophobicContact CD2-CD1 3.85Å; F365-F380 HydrophobicContact CD2-CD2 4.14Å; F365-F380 AromaticContact CD2-CG 3.63Å; F365-F380 HydrophobicContact CD2-CG 3.63Å; F365-F380 HydrophobicContact CE2-CB 4.04Å; F365-F380 HydrophobicContact CE2-CD2 4.38Å; F365-F380 HydrophobicContact CE2-CG 4.15Å; F365-F380 HydrophobicContact CG-CB 4.36Å; F365-F380 HydrophobicContact CG-CD1 4.37Å; F365-F380 HydrophobicContact CG-CG 4.43Å; F365-F400 HydrophobicContact CB-CZ 4.24Å; F365-F400 HydrophobicContact CD2-CE1 4.09Å; F365-F400 HydrophobicContact CD2-CZ 4.15Å; F365-P407 HydrophobicContact CE2-CB 4.43Å; F365-P407 HydrophobicContact CZ-CB 3.74Å; F365-I411 HydrophobicContact CE2-CD1 4.09Å; F365-I411 HydrophobicContact CE2-CG1 3.96Å; F365-I411 HydrophobicContact CZ-CD1 3.84Å; F365-I411 HydrophobicContact CZ-CG1 4.24Å |
| 366 | Q | 95.4 | Very high | 95.3 | Very high | 71 Ų | 71 | 49.6 Ų | 49.6 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.9 | -28.1 | 178.5 | -70.4 | 171.9 | 2.9 | 0 | 0 | 113.5 | S362 M364 Y369 P370 A377 | S362-Q366 WeakPolarHBondContact O-CG 3.43Å; S362-Q366 PolarHBondContact O-N 3.02Å; S362-Q366 VanDerWaalsContact O-N 3.1Å; M364-Q366 PolarHBondContact O-N 3.33Å; Q366-Y369 CarbonylContact O-C 3.59Å; Q366-P370 WeakPolarHBondContact O-CA 3.44Å; Q366-A377 HydrophobicContact CG-CB 3.97Å |
| 367 | R | 93.7 | Very high | 95.3 | Very high | 96 Ų | 96 | 49.1 Ų | 49.1 | 36% | 0.362 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -77.3 | -40.8 | 176.8 | -76.7 | 171.1 | 171.3 | 81.2 | -5.6 | 112.7 | N189 V192 Q363 M364 F365 | N189-R367 PolarHBondContact O-NE 2.87Å; N189-R367 PolarHBondContact O-NH2 3.23Å; V192-R367 VanDerWaalsContact CG2-CZ 3.46Å; Q363-R367 WeakPolarHBondContact O-CD 3.5Å; Q363-R367 VanDerWaalsContact O-CG 3.31Å; Q363-R367 WeakPolarHBondContact O-CG 3.41Å; Q363-R367 PolarHBondContact O-N 2.86Å; Q363-R367 PolarHBondContact O-NH1 3.06Å; M364-R367 WeakPolarHBondContact O-CB 3.43Å; M364-R367 PolarHBondContact O-N 3.41Å; M364-R367 VanDerWaalsContact O-N 3.09Å; F365-R367 PolarHBondContact O-N 3.22Å |
| 368 | F | 95.1 | Very high | 95.2 | Very high | 82 Ų | 82 | 51.2 Ų | 51.2 | 36% | 0.36 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -76.2 | -29.5 | 178.6 | -82.4 | -100.5 | 0 | 0 | 0 | 112 | M364 F365 P370 Q397 F400 | M364-F368 WeakPolarHBondContact O-CD2 3.33Å; M364-F368 PolarHBondContact O-N 3.44Å; F365-F368 PolarHBondContact O-N 2.95Å; F368-P370 WeakPolarHBondContact O-CD 3.13Å; F368-Q397 HydrophobicContact CZ-CB 4.27Å; F368-Q397 HydrophobicContact CZ-CG 3.99Å; F368-F400 HydrophobicContact CB-CB 4.34Å; F368-F400 HydrophobicContact CB-CD2 3.92Å; F368-F400 HydrophobicContact CB-CE2 4.38Å; F368-F400 HydrophobicContact CB-CG 4.18Å; F368-F400 HydrophobicContact CD1-CB 3.45Å; F368-F400 VanDerWaalsContact CD1-CB 3.45Å; F368-F400 AromaticContact CD1-CD2 3.85Å; F368-F400 HydrophobicContact CD1-CD2 3.85Å; F368-F400 HydrophobicContact CD1-CG 4.03Å; F368-F400 AromaticContact CD2-CD2 3.5Å; F368-F400 HydrophobicContact CD2-CD2 3.5Å; F368-F400 AromaticContact CD2-CE2 3.98Å; F368-F400 HydrophobicContact CD2-CE2 3.98Å; F368-F400 HydrophobicContact CD2-CG 4.43Å; F368-F400 HydrophobicContact CE1-CB 3.84Å; F368-F400 HydrophobicContact CE1-CD2 4.22Å; F368-F400 AromaticContact CE2-CD2 3.91Å; F368-F400 HydrophobicContact CE2-CD2 3.91Å; F368-F400 HydrophobicContact CG-CB 3.92Å; F368-F400 AromaticContact CG-CD2 3.47Å; F368-F400 HydrophobicContact CG-CD2 3.47Å; F368-F400 VanDerWaalsContact CG-CD2 3.47Å; F368-F400 HydrophobicContact CG-CE2 4.2Å; F368-F400 AromaticContact CG-CG 3.96Å; F368-F400 HydrophobicContact CG-CG 3.96Å; F368-F400 HydrophobicContact CZ-CD2 4.25Å |
| 369 | Y | 95.9 | Very high | 95.2 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 4% | 0.043 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -125.5 | 75 | 178.9 | -51.9 | -70.3 | 0 | 0 | 0 | 110.7 | F365 Q366 Q372 F400 Y403 P407 A410 | F365-Y369 HydrophobicContact CD1-CD2 4.33Å; F365-Y369 AromaticContact CD2-CD2 3.79Å; F365-Y369 HydrophobicContact CD2-CD2 3.79Å; F365-Y369 HydrophobicContact CD2-CE2 4.06Å; F365-Y369 HydrophobicContact CE1-CD2 4.2Å; F365-Y369 AromaticContact CE2-CD2 3.64Å; F365-Y369 HydrophobicContact CE2-CD2 3.64Å; F365-Y369 AromaticContact CE2-CE2 3.91Å; F365-Y369 HydrophobicContact CE2-CE2 3.91Å; F365-Y369 HydrophobicContact CG-CD2 4.14Å; F365-Y369 AromaticContact CZ-CD2 3.87Å; F365-Y369 HydrophobicContact CZ-CD2 3.87Å; F365-Y369 PolarHBondContact O-N 2.84Å; Q366-Y369 CarbonylContact O-C 3.59Å; Y369-Q372 WeakPolarHBondContact O-CG 3.45Å; Y369-F400 AromaticContact CE2-CD1 3.66Å; Y369-F400 HydrophobicContact CE2-CD1 3.66Å; Y369-F400 AromaticContact CE2-CE1 3.84Å; Y369-F400 HydrophobicContact CE2-CE1 3.84Å; Y369-F400 HydrophobicContact CE2-CG 4.29Å; Y369-Y403 VanDerWaalsContact CE1-O 3.31Å; Y369-Y403 WeakPolarHBondContact CE1-O 3.5Å; Y369-Y403 PolarHBondContact OH-O 2.72Å; Y369-P407 HydrophobicContact CD1-CB 3.94Å; Y369-P407 HydrophobicContact CD1-CG 4.42Å; Y369-P407 HydrophobicContact CD2-CB 4.16Å; Y369-P407 HydrophobicContact CE1-CB 4.41Å; Y369-P407 HydrophobicContact CG-CB 3.79Å; Y369-A410 HydrophobicContact CE2-CB 4.14Å |
| 370 | P | 94.7 | Very high | 95.2 | Very high | 100 Ų | 100 | 47.5 Ų | 47.5 | 65% | 0.649 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 147.6 | -179.7 | 28.1 | -35 | 0 | 0 | 0 | 111.5 | Q366 F368 Q372 | Q366-P370 WeakPolarHBondContact O-CA 3.44Å; F368-P370 WeakPolarHBondContact O-CD 3.13Å; P370-Q372 VanDerWaalsContact C-N 3.3Å; P370-Q372 PolarHBondContact O-N 2.8Å |
| 371 | G | 92.8 | Very high | 95.1 | Very high | 88 Ų | 88 | 47.4 Ų | 47.4 | 91% | 0.907 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 3.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 372 | Q | 94.4 | Very high | 95 | Very high | 85 Ų | 85 | 52.3 Ų | 52.3 | 40% | 0.397 | 30% | 0.299 | S | S | . | . | trans | -80 | 154.9 | 173.9 | -61.4 | -56.1 | -38.9 | 0 | 0 | 112.1 | F365 Y369 P370 L376 P407 | F365-Q372 HydrophobicContact CE1-CB 4.37Å; Y369-Q372 WeakPolarHBondContact O-CG 3.45Å; P370-Q372 VanDerWaalsContact C-N 3.3Å; P370-Q372 PolarHBondContact O-N 2.8Å; Q372-L376 HydrophobicContact CB-CD1 4.26Å; Q372-P407 HydrophobicContact CG-CB 4.25Å; Q372-P407 HydrophobicContact CG-CG 4.18Å | ||
| 373 | A | 93.9 | Very high | 94.9 | Very high | 47 Ų | 47 | 57.2 Ų | 57.2 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | trans | -62.2 | 139.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S375 L376 | A373-S375 PolarHBondContact O-N 3.39Å; A373-S375 VanDerWaalsContact O-N 3.16Å; A373-L376 WeakPolarHBondContact O-CB 3.31Å; A373-L376 PolarHBondContact O-N 3.37Å | ||
| 374 | P | 93.4 | Very high | 94.8 | Very high | 89 Ų | 89 | 55 Ų | 55 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -55.9 | -32.8 | 178.2 | -27.4 | 35.3 | 0 | 0 | 0 | 113.7 | L376 A377 E378 | P374-L376 VanDerWaalsContact C-N 3.26Å; P374-L376 PolarHBondContact O-N 3.04Å; P374-A377 WeakPolarHBondContact O-CB 3.33Å; P374-A377 PolarHBondContact O-N 3.43Å; P374-E378 PolarHBondContact O-N 2.77Å |
| 375 | S | 94.9 | Very high | 94.7 | Very high | 70 Ų | 70 | 58.3 Ų | 58.3 | 49% | 0.49 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.2 | -34.9 | 177.3 | 57 | 0 | 0 | 0 | 0 | 113.2 | A373 A377 E378 D379 | A373-S375 PolarHBondContact O-N 3.39Å; A373-S375 VanDerWaalsContact O-N 3.16Å; S375-A377 VanDerWaalsContact C-N 3.29Å; S375-A377 PolarHBondContact O-N 3.45Å; S375-E378 PolarHBondContact O-N 3.16Å; S375-D379 PolarHBondContact O-N 2.88Å |
| 376 | L | 94.6 | Very high | 94.5 | Very high | 43 Ų | 43 | 65.1 Ų | 65.1 | 23% | 0.225 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.8 | -31.9 | 177.6 | -69.6 | 171.6 | 0 | 0 | 0 | 112.2 | F365 Q372 A373 P374 F380 I411 | F365-L376 HydrophobicContact CE1-CB 4.02Å; F365-L376 HydrophobicContact CZ-CB 4.25Å; Q372-L376 HydrophobicContact CB-CD1 4.26Å; A373-L376 WeakPolarHBondContact O-CB 3.31Å; A373-L376 PolarHBondContact O-N 3.37Å; P374-L376 VanDerWaalsContact C-N 3.26Å; P374-L376 PolarHBondContact O-N 3.04Å; L376-F380 WeakPolarHBondContact O-CB 3.2Å; L376-F380 PolarHBondContact O-N 2.8Å; L376-I411 HydrophobicContact CB-CD1 3.94Å; L376-I411 HydrophobicContact CD2-CD1 3.78Å; L376-I411 HydrophobicContact CG-CD1 4.43Å; L376-I411 WeakPolarHBondContact O-CD1 3.36Å |
| 377 | A | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.2 | -39.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F365 Q366 P374 S375 F380 A381 | F365-A377 HydrophobicContact CB-CB 4.2Å; F365-A377 HydrophobicContact CD1-CB 3.68Å; F365-A377 HydrophobicContact CE1-CB 4.45Å; F365-A377 HydrophobicContact CG-CB 4.21Å; Q366-A377 HydrophobicContact CG-CB 3.97Å; P374-A377 WeakPolarHBondContact O-CB 3.33Å; P374-A377 PolarHBondContact O-N 3.43Å; S375-A377 VanDerWaalsContact C-N 3.29Å; S375-A377 PolarHBondContact O-N 3.45Å; A377-F380 PolarHBondContact O-N 3.48Å; A377-A381 WeakPolarHBondContact O-CB 3.01Å; A377-A381 PolarHBondContact O-N 3.36Å |
| 378 | E | 95.4 | Very high | 94.1 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 173.5 | -59.1 | -69.5 | 129.6 | 0 | 0 | 110.4 | H358 P374 S375 F380 A381 E382 | H358-E378 IonicContact CE1-OE1 2.79Å; H358-E378 IonicContact CE1-OE2 3.4Å; H358-E378 PolarHBondContact CE1-OE2 3.48Å; H358-E378 IonicContact NE2-OE2 3.32Å; P374-E378 PolarHBondContact O-N 2.77Å; S375-E378 PolarHBondContact O-N 3.16Å; E378-F380 VanDerWaalsContact C-N 3.28Å; E378-F380 PolarHBondContact O-N 3.22Å; E378-A381 PolarHBondContact O-N 2.78Å; E378-E382 PolarHBondContact O-N 3.07Å |
| 379 | D | 95.3 | Very high | 93.8 | Very high | 70 Ų | 70 | 61.9 Ų | 61.9 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.4 | -42.3 | 176.6 | -71 | -17.5 | 0 | 0 | 0 | 111.9 | S375 R383 | S375-D379 PolarHBondContact O-N 2.88Å; D379-R383 WeakPolarHBondContact O-CB 3.45Å; D379-R383 VanDerWaalsContact O-CG 3.27Å; D379-R383 WeakPolarHBondContact O-CG 3.38Å; D379-R383 PolarHBondContact O-N 3.32Å; D379-R383 VanDerWaalsContact O-N 3.17Å |
| 380 | F | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.4 | -49.4 | 174.6 | 177.1 | -104.5 | 0 | 0 | 0 | 111.5 | L361 F365 L376 A377 E378 E382 R383 V384 Y399 F400 I411 | L361-F380 HydrophobicContact CB-CE1 4.49Å; L361-F380 HydrophobicContact CD2-CE1 4.28Å; F365-F380 HydrophobicContact CB-CD1 4.13Å; F365-F380 HydrophobicContact CD2-CB 3.76Å; F365-F380 AromaticContact CD2-CD1 3.85Å; F365-F380 HydrophobicContact CD2-CD1 3.85Å; F365-F380 HydrophobicContact CD2-CD2 4.14Å; F365-F380 AromaticContact CD2-CG 3.63Å; F365-F380 HydrophobicContact CD2-CG 3.63Å; F365-F380 HydrophobicContact CE2-CB 4.04Å; F365-F380 HydrophobicContact CE2-CD2 4.38Å; F365-F380 HydrophobicContact CE2-CG 4.15Å; F365-F380 HydrophobicContact CG-CB 4.36Å; F365-F380 HydrophobicContact CG-CD1 4.37Å; F365-F380 HydrophobicContact CG-CG 4.43Å; L376-F380 WeakPolarHBondContact O-CB 3.2Å; L376-F380 PolarHBondContact O-N 2.8Å; A377-F380 PolarHBondContact O-N 3.48Å; E378-F380 VanDerWaalsContact C-N 3.28Å; E378-F380 PolarHBondContact O-N 3.22Å; F380-E382 PolarHBondContact O-N 3.49Å; F380-R383 PolarHBondContact O-N 3.47Å; F380-V384 HydrophobicContact CD1-CG2 4.35Å; F380-V384 HydrophobicContact CD2-CG2 4.09Å; F380-V384 HydrophobicContact CE1-CG2 3.93Å; F380-V384 HydrophobicContact CE2-CG2 3.63Å; F380-V384 HydrophobicContact CG-CG2 4.43Å; F380-V384 HydrophobicContact CZ-CG2 3.55Å; F380-V384 VanDerWaalsContact O-CG2 3.3Å; F380-V384 WeakPolarHBondContact O-CG2 3.31Å; F380-V384 PolarHBondContact O-N 3.36Å; F380-Y399 HydrophobicContact CE2-CD1 4.32Å; F380-Y399 AromaticContact CE2-CE1 3.89Å; F380-Y399 HydrophobicContact CE2-CE1 3.89Å; F380-Y399 HydrophobicContact CZ-CD1 4.41Å; F380-Y399 HydrophobicContact CZ-CE1 4.43Å; F380-F400 HydrophobicContact CD1-CZ 4.22Å; F380-F400 AromaticContact CE1-CE1 3.83Å; F380-F400 HydrophobicContact CE1-CE1 3.83Å; F380-F400 AromaticContact CE1-CZ 3.46Å; F380-F400 HydrophobicContact CE1-CZ 3.46Å; F380-F400 VanDerWaalsContact CE1-CZ 3.46Å; F380-F400 AromaticContact CE2-CE1 3.81Å; F380-F400 HydrophobicContact CE2-CE1 3.81Å; F380-F400 HydrophobicContact CE2-CZ 4.31Å; F380-F400 AromaticContact CZ-CE1 3.41Å; F380-F400 HydrophobicContact CZ-CE1 3.41Å; F380-F400 VanDerWaalsContact CZ-CE1 3.41Å; F380-F400 AromaticContact CZ-CZ 3.51Å; F380-F400 HydrophobicContact CZ-CZ 3.51Å; F380-I411 HydrophobicContact CB-CG1 3.96Å; F380-I411 HydrophobicContact CD2-CG1 4.31Å |
| 381 | A | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | H358 L361 A377 E378 V384 L385 | H358-A381 WeakPolarHBondContact NE2-CB 3.29Å; L361-A381 HydrophobicContact CB-CB 3.74Å; L361-A381 HydrophobicContact CD1-CB 4.29Å; A377-A381 WeakPolarHBondContact O-CB 3.01Å; A377-A381 PolarHBondContact O-N 3.36Å; E378-A381 PolarHBondContact O-N 2.78Å; A381-V384 PolarHBondContact O-N 3.45Å; A381-L385 WeakPolarHBondContact O-CB 3.36Å; A381-L385 VanDerWaalsContact O-CG 3.28Å; A381-L385 WeakPolarHBondContact O-CG 3.42Å; A381-L385 PolarHBondContact O-N 3.47Å |
| 382 | E | 94.6 | Very high | 93.8 | Very high | 104 Ų | 104 | 58.8 Ų | 58.8 | 49% | 0.486 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 176.4 | -72.4 | -170 | 172.6 | 0 | 0 | 111.9 | E378 F380 V384 L385 Q386 | E378-E382 PolarHBondContact O-N 3.07Å; F380-E382 PolarHBondContact O-N 3.49Å; E382-V384 VanDerWaalsContact C-N 3.34Å; E382-V384 PolarHBondContact O-N 2.79Å; E382-L385 PolarHBondContact O-N 2.93Å; E382-Q386 WeakPolarHBondContact O-CB 3.46Å; E382-Q386 VanDerWaalsContact O-CG 3.3Å; E382-Q386 WeakPolarHBondContact O-CG 3.22Å; E382-Q386 PolarHBondContact O-N 3.29Å |
| 383 | R | 94.1 | Very high | 93.9 | Very high | 107 Ų | 107 | 55.4 Ų | 55.4 | 40% | 0.404 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | -179.9 | -73 | 179.4 | -171.5 | -147.4 | -0.5 | 112.3 | D379 F380 Q386 A387 I411 A414 | D379-R383 WeakPolarHBondContact O-CB 3.45Å; D379-R383 VanDerWaalsContact O-CG 3.27Å; D379-R383 WeakPolarHBondContact O-CG 3.38Å; D379-R383 PolarHBondContact O-N 3.32Å; D379-R383 VanDerWaalsContact O-N 3.17Å; F380-R383 PolarHBondContact O-N 3.47Å; R383-Q386 PolarHBondContact O-N 3.43Å; R383-A387 WeakPolarHBondContact O-CB 3.46Å; R383-A387 PolarHBondContact O-N 3.19Å; R383-I411 WeakPolarHBondContact CD-O 3.31Å; R383-I411 PolarHBondContact NH1-O 3.04Å; R383-A414 HydrophobicContact CB-CB 3.96Å |
| 384 | V | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 178.6 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | L361 F380 A381 E382 A387 T388 I391 A414 L417 | L361-V384 HydrophobicContact CD1-CB 4.06Å; L361-V384 HydrophobicContact CD1-CG1 3.84Å; L361-V384 HydrophobicContact CD2-CG1 4.08Å; F380-V384 HydrophobicContact CD1-CG2 4.35Å; F380-V384 HydrophobicContact CD2-CG2 4.09Å; F380-V384 HydrophobicContact CE1-CG2 3.93Å; F380-V384 HydrophobicContact CE2-CG2 3.63Å; F380-V384 HydrophobicContact CG-CG2 4.43Å; F380-V384 HydrophobicContact CZ-CG2 3.55Å; F380-V384 VanDerWaalsContact O-CG2 3.3Å; F380-V384 WeakPolarHBondContact O-CG2 3.31Å; F380-V384 PolarHBondContact O-N 3.36Å; A381-V384 PolarHBondContact O-N 3.45Å; E382-V384 VanDerWaalsContact C-N 3.34Å; E382-V384 PolarHBondContact O-N 2.79Å; V384-A387 PolarHBondContact O-N 3.06Å; V384-T388 PolarHBondContact O-N 3.49Å; V384-T388 PolarHBondContact O-OG1 2.77Å; V384-I391 HydrophobicContact CG1-CD1 3.81Å; V384-I391 HydrophobicContact CG1-CG2 3.99Å; V384-A414 HydrophobicContact CG2-CB 4.13Å; V384-L417 HydrophobicContact CG1-CD1 4.45Å; V384-L417 HydrophobicContact CG2-CD1 3.89Å |
| 385 | L | 92.8 | Very high | 94 | Very high | 77 Ų | 77 | 55.4 Ų | 55.4 | 40% | 0.403 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.7 | -29.8 | 178.7 | -68.7 | 174 | 0 | 0 | 0 | 112.9 | H358 L361 A381 E382 | H358-L385 HydrophobicContact CB-CD1 3.82Å; L361-L385 HydrophobicContact CD1-CD1 4.38Å; L361-L385 HydrophobicContact CD1-CD2 3.96Å; L361-L385 HydrophobicContact CD1-CG 3.81Å; A381-L385 WeakPolarHBondContact O-CB 3.36Å; A381-L385 VanDerWaalsContact O-CG 3.28Å; A381-L385 WeakPolarHBondContact O-CG 3.42Å; A381-L385 PolarHBondContact O-N 3.47Å; E382-L385 PolarHBondContact O-N 2.93Å |
| 386 | Q | 92.4 | Very high | 94 | Very high | 144 Ų | 144 | 52 Ų | 52 | 67% | 0.673 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -74.5 | -30.8 | 170.7 | -70 | 175.1 | 13.3 | 0 | 0 | 112.3 | E382 R383 R418 | E382-Q386 WeakPolarHBondContact O-CB 3.46Å; E382-Q386 VanDerWaalsContact O-CG 3.3Å; E382-Q386 WeakPolarHBondContact O-CG 3.22Å; E382-Q386 PolarHBondContact O-N 3.29Å; R383-Q386 PolarHBondContact O-N 3.43Å; Q386-R418 PolarHBondContact O-NH2 2.88Å |
| 387 | A | 90.8 | Very high | 94.1 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 11% | 0.107 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -79.9 | -35.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R383 V384 R418 | R383-A387 WeakPolarHBondContact O-CB 3.46Å; R383-A387 PolarHBondContact O-N 3.19Å; V384-A387 PolarHBondContact O-N 3.06Å; A387-R418 HydrophobicContact CB-CG 4.17Å; A387-R418 WeakPolarHBondContact O-CG 3.39Å; A387-R418 PolarHBondContact O-NE 3.12Å; A387-R418 VanDerWaalsContact O-NE 3.11Å |
| 388 | T | 91.2 | Very high | 94.1 | Very high | 20 Ų | 20 | 55.5 Ų | 55.5 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | trans | -128.4 | 140.8 | -168.4 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | V384 L417 | V384-T388 PolarHBondContact O-N 3.49Å; V384-T388 PolarHBondContact O-OG1 2.77Å; T388-L417 HydrophobicContact CG2-CB 3.95Å; T388-L417 WeakPolarHBondContact CG2-O 3.46Å | ||
| 389 | T | 88.4 | Confident | 94.1 | Very high | 149 Ų | 149 | 51.9 Ų | 51.9 | 91% | 0.914 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -78.7 | -40.3 | 174.7 | 39.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 390 | Q | 92.5 | Very high | 94.1 | Very high | 119 Ų | 119 | 48.6 Ų | 48.6 | 56% | 0.556 | 26% | 0.259 | S | S | * | . | trans | -142.8 | 128.3 | 178.1 | -69.5 | 179.9 | -12.7 | 0 | 0 | 109.3 | Y355 | Y355-Q390 HydrophobicContact CD1-CB 4.06Å; Y355-Q390 HydrophobicContact CD2-CB 3.84Å; Y355-Q390 HydrophobicContact CD2-CG 3.75Å; Y355-Q390 HydrophobicContact CE1-CB 4.09Å; Y355-Q390 HydrophobicContact CE2-CB 3.89Å; Y355-Q390 HydrophobicContact CE2-CG 3.83Å; Y355-Q390 HydrophobicContact CG-CB 3.93Å; Y355-Q390 HydrophobicContact CG-CG 4.28Å; Y355-Q390 PolarHBondContact OH-OE1 3.3Å | ||
| 391 | I | 94.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | trans | -136.2 | 129.1 | 178.1 | -166.7 | 172.2 | 0 | 0 | 0 | 110.4 | Y355 C356 L361 V384 Q395 V396 L417 | Y355-I391 WeakPolarHBondContact CB-O 3.44Å; C356-I391 HydrophobicContact CB-CG2 3.95Å; C356-I391 PolarHBondContact N-O 2.75Å; L361-I391 HydrophobicContact CD2-CG2 4.38Å; V384-I391 HydrophobicContact CG1-CD1 3.81Å; V384-I391 HydrophobicContact CG1-CG2 3.99Å; I391-Q395 HydrophobicContact CG1-CB 4.09Å; I391-V396 HydrophobicContact CD1-CG2 3.63Å; I391-V396 HydrophobicContact CG1-CG2 3.86Å; I391-V396 HydrophobicContact CG2-CG2 4.49Å; I391-L417 HydrophobicContact CD1-CB 4.31Å; I391-L417 HydrophobicContact CD1-CD1 3.84Å; I391-L417 HydrophobicContact CD1-CD2 4.01Å; I391-L417 HydrophobicContact CD1-CG 4.28Å | ||
| 392 | S | 95.8 | Very high | 94.1 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | trans | -86.2 | 149.3 | 178.5 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | A394 Q395 V396 | S392-A394 PolarHBondContact O-N 3.42Å; S392-A394 VanDerWaalsContact O-N 3.17Å; S392-Q395 WeakPolarHBondContact O-CB 3.39Å; S392-Q395 PolarHBondContact O-N 2.83Å; S392-Q395 WeakPolarHBondContact OG-CG 3.45Å; S392-Q395 PolarHBondContact OG-N 3.42Å; S392-Q395 PolarHBondContact OG-OE1 2.91Å; S392-V396 PolarHBondContact O-N 3.36Å; S392-V396 VanDerWaalsContact O-N 3.13Å | ||
| 393 | P | 96.1 | Very high | 94.1 | Very high | 15 Ų | 15 | 57.1 Ų | 57.1 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -52.3 | -34.7 | 170.5 | -26.8 | 31.8 | 0 | 0 | 0 | 113.3 | C356 M364 V396 Q397 | C356-P393 WeakPolarHBondContact SG-CD 3.44Å; C356-P393 VanDerWaalsContact SG-N 3.4Å; M364-P393 HydrophobicContact CE-CB 4.21Å; M364-P393 HydrophobicContact SD-CB 4.1Å; P393-V396 PolarHBondContact O-N 2.9Å; P393-Q397 WeakPolarHBondContact O-CB 3.32Å; P393-Q397 PolarHBondContact O-N 2.97Å |
| 394 | A | 95.4 | Very high | 94.2 | Very high | 51 Ų | 51 | 59.4 Ų | 59.4 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | G233 S392 G398 | G233-A394 WeakPolarHBondContact O-CB 3.34Å; G233-A394 PolarHBondContact O-N 3.08Å; S392-A394 PolarHBondContact O-N 3.42Å; S392-A394 VanDerWaalsContact O-N 3.17Å; A394-G398 PolarHBondContact O-N 2.93Å |
| 395 | Q | 94.8 | Very high | 94.1 | Very high | 84 Ų | 84 | 66.8 Ų | 66.8 | 39% | 0.393 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 174.9 | -72.5 | 163.9 | -68.9 | 0 | 0 | 111.4 | I391 S392 Q397 G398 Y399 | I391-Q395 HydrophobicContact CG1-CB 4.09Å; S392-Q395 WeakPolarHBondContact O-CB 3.39Å; S392-Q395 PolarHBondContact O-N 2.83Å; S392-Q395 WeakPolarHBondContact OG-CG 3.45Å; S392-Q395 PolarHBondContact OG-N 3.42Å; S392-Q395 PolarHBondContact OG-OE1 2.91Å; Q395-Q397 PolarHBondContact O-N 3.46Å; Q395-G398 PolarHBondContact O-N 2.95Å; Q395-Y399 WeakPolarHBondContact O-CB 3.34Å; Q395-Y399 PolarHBondContact O-N 3.12Å |
| 396 | V | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 177 | 178.4 | 0 | 0 | 0 | 0 | 111 | L361 M364 I391 S392 P393 G398 Y399 F400 | L361-V396 HydrophobicContact CD2-CG1 4.49Å; L361-V396 HydrophobicContact CD2-CG2 3.79Å; M364-V396 HydrophobicContact CE-CB 3.88Å; M364-V396 HydrophobicContact CE-CG1 3.75Å; M364-V396 HydrophobicContact SD-CB 4.37Å; M364-V396 HydrophobicContact SD-CG1 4.15Å; I391-V396 HydrophobicContact CD1-CG2 3.63Å; I391-V396 HydrophobicContact CG1-CG2 3.86Å; I391-V396 HydrophobicContact CG2-CG2 4.49Å; S392-V396 PolarHBondContact O-N 3.36Å; S392-V396 VanDerWaalsContact O-N 3.13Å; P393-V396 PolarHBondContact O-N 2.9Å; V396-G398 PolarHBondContact O-N 3.5Å; V396-Y399 WeakPolarHBondContact O-CB 3.47Å; V396-Y399 PolarHBondContact O-N 2.85Å; V396-F400 HydrophobicContact CG1-CD2 3.86Å; V396-F400 HydrophobicContact CG1-CE2 3.32Å; V396-F400 HydrophobicContact CG1-CZ 3.7Å; V396-F400 WeakPolarHBondContact O-CD2 3.42Å; V396-F400 PolarHBondContact O-N 3.3Å |
| 397 | Q | 95.3 | Very high | 94.4 | Very high | 80 Ų | 80 | 60.3 Ų | 60.3 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 175 | 170.8 | 173.6 | -30.3 | 0 | 0 | 111.5 | F368 P393 Q395 Y399 F400 M401 | F368-Q397 HydrophobicContact CZ-CB 4.27Å; F368-Q397 HydrophobicContact CZ-CG 3.99Å; P393-Q397 WeakPolarHBondContact O-CB 3.32Å; P393-Q397 PolarHBondContact O-N 2.97Å; Q395-Q397 PolarHBondContact O-N 3.46Å; Q397-Y399 VanDerWaalsContact C-N 3.3Å; Q397-Y399 PolarHBondContact O-N 2.91Å; Q397-F400 PolarHBondContact O-N 3.47Å; Q397-M401 HydrophobicContact CG-CE 3.91Å; Q397-M401 WeakPolarHBondContact O-CG 3.33Å; Q397-M401 PolarHBondContact O-N 2.88Å |
| 398 | G | 94.8 | Very high | 94.5 | Very high | 35 Ų | 35 | 63.1 Ų | 63.1 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.7 | -36.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A394 Q395 V396 M401 | A394-G398 PolarHBondContact O-N 2.93Å; Q395-G398 PolarHBondContact O-N 2.95Å; V396-G398 PolarHBondContact O-N 3.5Å; G398-M401 WeakPolarHBondContact O-CB 3.35Å; G398-M401 PolarHBondContact O-N 3.33Å |
| 399 | Y | 95.5 | Very high | 94.7 | Very high | 7 Ų | 7 | 62.5 Ų | 62.5 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 176.5 | 178.1 | -99 | 0 | 0 | 0 | 112.7 | F380 Q395 V396 Q397 M401 L402 Y403 A410 N413 A414 S416 L417 | F380-Y399 HydrophobicContact CE2-CD1 4.32Å; F380-Y399 AromaticContact CE2-CE1 3.89Å; F380-Y399 HydrophobicContact CE2-CE1 3.89Å; F380-Y399 HydrophobicContact CZ-CD1 4.41Å; F380-Y399 HydrophobicContact CZ-CE1 4.43Å; Q395-Y399 WeakPolarHBondContact O-CB 3.34Å; Q395-Y399 PolarHBondContact O-N 3.12Å; V396-Y399 WeakPolarHBondContact O-CB 3.47Å; V396-Y399 PolarHBondContact O-N 2.85Å; Q397-Y399 VanDerWaalsContact C-N 3.3Å; Q397-Y399 PolarHBondContact O-N 2.91Å; Y399-M401 PolarHBondContact O-N 3.46Å; Y399-L402 WeakPolarHBondContact O-CB 3.33Å; Y399-L402 PolarHBondContact O-N 2.9Å; Y399-Y403 HydrophobicContact CD2-CE2 4.26Å; Y399-Y403 HydrophobicContact CE1-CD2 4.1Å; Y399-Y403 HydrophobicContact CE1-CE2 4.33Å; Y399-Y403 HydrophobicContact CE2-CD2 4.08Å; Y399-Y403 AromaticContact CE2-CE2 3.56Å; Y399-Y403 HydrophobicContact CE2-CE2 3.56Å; Y399-Y403 AromaticContact CZ-CD2 3.81Å; Y399-Y403 AromaticContact CZ-CE2 3.58Å; Y399-A410 HydrophobicContact CE1-CB 3.92Å; Y399-A410 WeakPolarHBondContact CE1-O 3.49Å; Y399-A410 WeakPolarHBondContact OH-CA 3.49Å; Y399-A410 PolarHBondContact OH-O 3.37Å; Y399-N413 WeakPolarHBondContact OH-CB 3.22Å; Y399-N413 PolarHBondContact OH-O 3.31Å; Y399-A414 PolarHBondContact OH-N 3.03Å; Y399-S416 WeakPolarHBondContact CE2-OG 3.33Å; Y399-L417 HydrophobicContact CD1-CD1 4.15Å; Y399-L417 HydrophobicContact CD2-CD1 4.09Å; Y399-L417 HydrophobicContact CD2-CD2 3.66Å; Y399-L417 HydrophobicContact CD2-CG 3.73Å; Y399-L417 HydrophobicContact CE1-CD1 4.38Å; Y399-L417 HydrophobicContact CE2-CD1 4.31Å; Y399-L417 HydrophobicContact CE2-CD2 4.46Å; Y399-L417 HydrophobicContact CE2-CG 4.04Å; Y399-L417 HydrophobicContact CG-CD1 4.01Å; Y399-L417 HydrophobicContact CG-CD2 3.83Å; Y399-L417 HydrophobicContact CG-CG 4.07Å |
| 400 | F | 96.3 | Very high | 95 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.009 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.7 | -24.1 | 176.3 | -65.2 | -36.7 | 0 | 0 | 0 | 113.2 | M364 F365 F368 Y369 F380 V396 Q397 L402 Y403 A410 | M364-F400 HydrophobicContact CB-CE2 4.09Å; F365-F400 HydrophobicContact CB-CZ 4.24Å; F365-F400 HydrophobicContact CD2-CE1 4.09Å; F365-F400 HydrophobicContact CD2-CZ 4.15Å; F368-F400 HydrophobicContact CB-CB 4.34Å; F368-F400 HydrophobicContact CB-CD2 3.92Å; F368-F400 HydrophobicContact CB-CE2 4.38Å; F368-F400 HydrophobicContact CB-CG 4.18Å; F368-F400 HydrophobicContact CD1-CB 3.45Å; F368-F400 VanDerWaalsContact CD1-CB 3.45Å; F368-F400 AromaticContact CD1-CD2 3.85Å; F368-F400 HydrophobicContact CD1-CD2 3.85Å; F368-F400 HydrophobicContact CD1-CG 4.03Å; F368-F400 AromaticContact CD2-CD2 3.5Å; F368-F400 HydrophobicContact CD2-CD2 3.5Å; F368-F400 AromaticContact CD2-CE2 3.98Å; F368-F400 HydrophobicContact CD2-CE2 3.98Å; F368-F400 HydrophobicContact CD2-CG 4.43Å; F368-F400 HydrophobicContact CE1-CB 3.84Å; F368-F400 HydrophobicContact CE1-CD2 4.22Å; F368-F400 AromaticContact CE2-CD2 3.91Å; F368-F400 HydrophobicContact CE2-CD2 3.91Å; F368-F400 HydrophobicContact CG-CB 3.92Å; F368-F400 AromaticContact CG-CD2 3.47Å; F368-F400 HydrophobicContact CG-CD2 3.47Å; F368-F400 VanDerWaalsContact CG-CD2 3.47Å; F368-F400 HydrophobicContact CG-CE2 4.2Å; F368-F400 AromaticContact CG-CG 3.96Å; F368-F400 HydrophobicContact CG-CG 3.96Å; F368-F400 HydrophobicContact CZ-CD2 4.25Å; Y369-F400 AromaticContact CE2-CD1 3.66Å; Y369-F400 HydrophobicContact CE2-CD1 3.66Å; Y369-F400 AromaticContact CE2-CE1 3.84Å; Y369-F400 HydrophobicContact CE2-CE1 3.84Å; Y369-F400 HydrophobicContact CE2-CG 4.29Å; F380-F400 HydrophobicContact CD1-CZ 4.22Å; F380-F400 AromaticContact CE1-CE1 3.83Å; F380-F400 HydrophobicContact CE1-CE1 3.83Å; F380-F400 AromaticContact CE1-CZ 3.46Å; F380-F400 HydrophobicContact CE1-CZ 3.46Å; F380-F400 VanDerWaalsContact CE1-CZ 3.46Å; F380-F400 AromaticContact CE2-CE1 3.81Å; F380-F400 HydrophobicContact CE2-CE1 3.81Å; F380-F400 HydrophobicContact CE2-CZ 4.31Å; F380-F400 AromaticContact CZ-CE1 3.41Å; F380-F400 HydrophobicContact CZ-CE1 3.41Å; F380-F400 VanDerWaalsContact CZ-CE1 3.41Å; F380-F400 AromaticContact CZ-CZ 3.51Å; F380-F400 HydrophobicContact CZ-CZ 3.51Å; V396-F400 HydrophobicContact CG1-CD2 3.86Å; V396-F400 HydrophobicContact CG1-CE2 3.32Å; V396-F400 HydrophobicContact CG1-CZ 3.7Å; V396-F400 WeakPolarHBondContact O-CD2 3.42Å; V396-F400 PolarHBondContact O-N 3.3Å; Q397-F400 PolarHBondContact O-N 3.47Å; F400-L402 PolarHBondContact O-N 2.9Å; F400-Y403 CarbonylContact O-C 3.58Å; F400-Y403 PolarHBondContact O-N 3.34Å; F400-A410 HydrophobicContact CD1-CB 4.45Å |
| 401 | M | 94.9 | Very high | 95 | Very high | 99 Ų | 99 | 50.1 Ų | 50.1 | 49% | 0.488 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -21.1 | 172.7 | -69.2 | -179.7 | -179.2 | 0 | 0 | 113.7 | Q397 G398 Y399 K404 | Q397-M401 HydrophobicContact CG-CE 3.91Å; Q397-M401 WeakPolarHBondContact O-CG 3.33Å; Q397-M401 PolarHBondContact O-N 2.88Å; G398-M401 WeakPolarHBondContact O-CB 3.35Å; G398-M401 PolarHBondContact O-N 3.33Å; Y399-M401 PolarHBondContact O-N 3.46Å; M401-K404 VanDerWaalsContact O-CE 3.24Å; M401-K404 WeakPolarHBondContact O-CE 3.39Å; M401-K404 WeakPolarHBondContact O-CG 3.48Å |
| 402 | L | 95.4 | Very high | 95 | Very high | 133 Ų | 133 | 55.8 Ų | 55.8 | 70% | 0.696 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -30.7 | 174.7 | -58.4 | 175.8 | 0 | 0 | 0 | 111.7 | Y399 F400 | Y399-L402 WeakPolarHBondContact O-CB 3.33Å; Y399-L402 PolarHBondContact O-N 2.9Å; F400-L402 PolarHBondContact O-N 2.9Å |
| 403 | Y | 95.9 | Very high | 94.9 | Very high | 50 Ų | 50 | 58.7 Ų | 58.7 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -114.8 | 53.6 | -175.8 | -60.2 | -80.4 | 0 | 0 | 0 | 111.6 | Y369 Y399 F400 N405 D406 A410 N413 | Y369-Y403 VanDerWaalsContact CE1-O 3.31Å; Y369-Y403 WeakPolarHBondContact CE1-O 3.5Å; Y369-Y403 PolarHBondContact OH-O 2.72Å; Y399-Y403 HydrophobicContact CD2-CE2 4.26Å; Y399-Y403 HydrophobicContact CE1-CD2 4.1Å; Y399-Y403 HydrophobicContact CE1-CE2 4.33Å; Y399-Y403 HydrophobicContact CE2-CD2 4.08Å; Y399-Y403 AromaticContact CE2-CE2 3.56Å; Y399-Y403 HydrophobicContact CE2-CE2 3.56Å; Y399-Y403 AromaticContact CZ-CD2 3.81Å; Y399-Y403 AromaticContact CZ-CE2 3.58Å; F400-Y403 CarbonylContact O-C 3.58Å; F400-Y403 PolarHBondContact O-N 3.34Å; Y403-N405 PolarHBondContact O-N 2.86Å; Y403-D406 PolarHBondContact O-N 3.42Å; Y403-A410 HydrophobicContact CD2-CB 4.45Å; Y403-A410 HydrophobicContact CG-CB 4.33Å; Y403-N413 HydrophobicContact CE1-CB 4.35Å; Y403-N413 HydrophobicContact CE2-CB 4.27Å; Y403-N413 WeakPolarHBondContact OH-CB 3.49Å; Y403-N413 VanDerWaalsContact OH-CG 3.27Å; Y403-N413 PolarHBondContact OH-ND2 3.41Å |
| 404 | K | 94.8 | Very high | 94.5 | Very high | 155 Ų | 155 | 58 Ų | 58 | 67% | 0.674 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 124.8 | -179.8 | -62.3 | 178.1 | -173.5 | 173.3 | 0 | 110.1 | M401 D406 | M401-K404 VanDerWaalsContact O-CE 3.24Å; M401-K404 WeakPolarHBondContact O-CE 3.39Å; M401-K404 WeakPolarHBondContact O-CG 3.48Å; K404-D406 PolarHBondContact O-N 3.49Å |
| 405 | N | 93.6 | Very high | 94 | Very high | 155 Ų | 155 | 61.9 Ų | 61.9 | 83% | 0.829 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 13.1 | -177.6 | -47.8 | -38.8 | 0 | 0 | 0 | 115.3 | Y403 P407 | Y403-N405 PolarHBondContact O-N 2.86Å; N405-P407 WeakPolarHBondContact O-CD 3.45Å |
| 406 | D | 95.5 | Very high | 93.6 | Very high | 71 Ų | 71 | 61.4 Ų | 61.4 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | trans | -120.6 | 82.5 | 178.1 | -178.1 | 13.1 | 0 | 0 | 0 | 111.2 | Y403 K404 V408 G409 A410 | Y403-D406 PolarHBondContact O-N 3.42Å; K404-D406 PolarHBondContact O-N 3.49Å; D406-V408 VanDerWaalsContact C-N 3.34Å; D406-V408 PolarHBondContact O-N 3.04Å; D406-V408 PolarHBondContact OD1-N 3.33Å; D406-G409 PolarHBondContact OD1-N 2.82Å; D406-G409 WeakPolarHBondContact OD2-CA 3.46Å; D406-A410 PolarHBondContact O-N 2.94Å | ||
| 407 | P | 94.3 | Very high | 93.1 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.3 | -33.5 | -179.3 | 25 | -32.4 | 0 | 0 | 0 | 112.7 | F365 Y369 Q372 N405 A410 I411 | F365-P407 HydrophobicContact CE2-CB 4.43Å; F365-P407 HydrophobicContact CZ-CB 3.74Å; Y369-P407 HydrophobicContact CD1-CB 3.94Å; Y369-P407 HydrophobicContact CD1-CG 4.42Å; Y369-P407 HydrophobicContact CD2-CB 4.16Å; Y369-P407 HydrophobicContact CE1-CB 4.41Å; Y369-P407 HydrophobicContact CG-CB 3.79Å; Q372-P407 HydrophobicContact CG-CB 4.25Å; Q372-P407 HydrophobicContact CG-CG 4.18Å; N405-P407 WeakPolarHBondContact O-CD 3.45Å; P407-A410 PolarHBondContact O-N 3Å; P407-I411 WeakPolarHBondContact O-CG1 3.47Å; P407-I411 PolarHBondContact O-N 3.03Å |
| 408 | V | 94.5 | Very high | 92.2 | Very high | 72 Ų | 72 | 65.7 Ų | 65.7 | 44% | 0.436 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.8 | -42.6 | -178.3 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | D406 A410 I411 H412 | D406-V408 VanDerWaalsContact C-N 3.34Å; D406-V408 PolarHBondContact O-N 3.04Å; D406-V408 PolarHBondContact OD1-N 3.33Å; V408-A410 VanDerWaalsContact C-N 3.29Å; V408-A410 PolarHBondContact O-N 3.33Å; V408-I411 PolarHBondContact O-N 3.1Å; V408-I411 VanDerWaalsContact O-N 3.14Å; V408-H412 PolarHBondContact O-N 3.47Å |
| 409 | G | 93.9 | Very high | 90.4 | Very high | 8 Ų | 8 | 78.4 Ų | 78.4 | 8% | 0.082 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.6 | -39.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | D406 I411 H412 N413 | D406-G409 PolarHBondContact OD1-N 2.82Å; D406-G409 WeakPolarHBondContact OD2-CA 3.46Å; G409-I411 VanDerWaalsContact C-N 3.31Å; G409-I411 PolarHBondContact O-N 3.37Å; G409-H412 PolarHBondContact O-N 3.17Å; G409-N413 WeakPolarHBondContact O-CB 3.29Å; G409-N413 PolarHBondContact O-N 3.24Å; G409-N413 PolarHBondContact O-ND2 2.86Å |
| 410 | A | 94.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66 | -28.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y369 Y399 F400 Y403 D406 P407 V408 | Y369-A410 HydrophobicContact CE2-CB 4.14Å; Y399-A410 HydrophobicContact CE1-CB 3.92Å; Y399-A410 WeakPolarHBondContact CE1-O 3.49Å; Y399-A410 WeakPolarHBondContact OH-CA 3.49Å; Y399-A410 PolarHBondContact OH-O 3.37Å; F400-A410 HydrophobicContact CD1-CB 4.45Å; Y403-A410 HydrophobicContact CD2-CB 4.45Å; Y403-A410 HydrophobicContact CG-CB 4.33Å; D406-A410 PolarHBondContact O-N 2.94Å; P407-A410 PolarHBondContact O-N 3Å; V408-A410 VanDerWaalsContact C-N 3.29Å; V408-A410 PolarHBondContact O-N 3.33Å |
| 411 | I | 93.8 | Very high | 89.8 | Confident | 8 Ų | 8 | 86.2 Ų | 86.2 | 4% | 0.041 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -82.2 | -42.8 | 177 | -67.1 | 166.3 | 0 | 0 | 0 | 110.8 | F365 L376 F380 R383 P407 V408 G409 N413 A414 | F365-I411 HydrophobicContact CE2-CD1 4.09Å; F365-I411 HydrophobicContact CE2-CG1 3.96Å; F365-I411 HydrophobicContact CZ-CD1 3.84Å; F365-I411 HydrophobicContact CZ-CG1 4.24Å; L376-I411 HydrophobicContact CB-CD1 3.94Å; L376-I411 HydrophobicContact CD2-CD1 3.78Å; L376-I411 HydrophobicContact CG-CD1 4.43Å; L376-I411 WeakPolarHBondContact O-CD1 3.36Å; F380-I411 HydrophobicContact CB-CG1 3.96Å; F380-I411 HydrophobicContact CD2-CG1 4.31Å; R383-I411 WeakPolarHBondContact CD-O 3.31Å; R383-I411 PolarHBondContact NH1-O 3.04Å; P407-I411 WeakPolarHBondContact O-CG1 3.47Å; P407-I411 PolarHBondContact O-N 3.03Å; V408-I411 PolarHBondContact O-N 3.1Å; V408-I411 VanDerWaalsContact O-N 3.14Å; G409-I411 VanDerWaalsContact C-N 3.31Å; G409-I411 PolarHBondContact O-N 3.37Å; I411-N413 VanDerWaalsContact C-N 3.32Å; I411-N413 PolarHBondContact O-N 2.94Å; I411-A414 WeakPolarHBondContact O-CB 3.49Å; I411-A414 PolarHBondContact O-N 3.05Å |
| 412 | H | 93.9 | Very high | 89.5 | Confident | 123 Ų | 123 | 85.4 Ų | 85.4 | 57% | 0.569 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66.2 | -36 | -179.2 | -72.8 | -179.4 | 0 | 0 | 0 | 112.4 | V408 G409 | V408-H412 PolarHBondContact O-N 3.47Å; G409-H412 PolarHBondContact O-N 3.17Å |
| 413 | N | 93.3 | Very high | 89.2 | Confident | 71 Ų | 71 | 82.6 Ų | 82.6 | 38% | 0.38 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 17.9 | -179.1 | -61.2 | -75.8 | 0 | 0 | 0 | 112.8 | Y399 Y403 G409 I411 E415 S416 | Y399-N413 WeakPolarHBondContact OH-CB 3.22Å; Y399-N413 PolarHBondContact OH-O 3.31Å; Y403-N413 HydrophobicContact CE1-CB 4.35Å; Y403-N413 HydrophobicContact CE2-CB 4.27Å; Y403-N413 WeakPolarHBondContact OH-CB 3.49Å; Y403-N413 VanDerWaalsContact OH-CG 3.27Å; Y403-N413 PolarHBondContact OH-ND2 3.41Å; G409-N413 WeakPolarHBondContact O-CB 3.29Å; G409-N413 PolarHBondContact O-N 3.24Å; G409-N413 PolarHBondContact O-ND2 2.86Å; I411-N413 VanDerWaalsContact C-N 3.32Å; I411-N413 PolarHBondContact O-N 2.94Å; N413-E415 PolarHBondContact O-N 3.25Å; N413-E415 VanDerWaalsContact O-N 3.16Å; N413-S416 WeakPolarHBondContact O-CB 3.28Å; N413-S416 PolarHBondContact O-N 3.08Å; N413-S416 PolarHBondContact O-OG 2.98Å |
| 414 | A | 89.1 | Confident | 88.7 | Confident | 1 Ų | 1 | 84.7 Ų | 84.7 | 1% | 0.008 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -59.6 | -27.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | R383 V384 Y399 I411 S416 L417 | R383-A414 HydrophobicContact CB-CB 3.96Å; V384-A414 HydrophobicContact CG2-CB 4.13Å; Y399-A414 PolarHBondContact OH-N 3.03Å; I411-A414 WeakPolarHBondContact O-CB 3.49Å; I411-A414 PolarHBondContact O-N 3.05Å; A414-S416 PolarHBondContact O-N 3.1Å; A414-L417 WeakPolarHBondContact O-CB 3.2Å; A414-L417 PolarHBondContact O-N 3.44Å |
| 415 | E | 84.2 | Confident | 88.3 | Confident | 132 Ų | 132 | 80 Ų | 80 | 62% | 0.617 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -64.3 | -22.4 | 176 | -62.9 | -165 | 168.4 | 0 | 0 | 113.7 | N413 L417 R418 | N413-E415 PolarHBondContact O-N 3.25Å; N413-E415 VanDerWaalsContact O-N 3.16Å; E415-L417 PolarHBondContact O-N 3.25Å; E415-L417 VanDerWaalsContact O-N 3.08Å; E415-R418 VanDerWaalsContact O-CB 3.3Å; E415-R418 WeakPolarHBondContact O-CB 3.44Å; E415-R418 PolarHBondContact O-N 3.14Å |
| 416 | S | 87 | Confident | 87.9 | Confident | 74 Ų | 74 | 74.6 Ų | 74.6 | 52% | 0.517 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -68 | -8.3 | 177.2 | 82.7 | 0 | 0 | 0 | 0 | 113 | Y399 N413 A414 R418 | Y399-S416 WeakPolarHBondContact CE2-OG 3.33Å; N413-S416 WeakPolarHBondContact O-CB 3.28Å; N413-S416 PolarHBondContact O-N 3.08Å; N413-S416 PolarHBondContact O-OG 2.98Å; A414-S416 PolarHBondContact O-N 3.1Å; S416-R418 VanDerWaalsContact C-N 3.26Å |
| 417 | L | 83.6 | Confident | 87.4 | Confident | 24 Ų | 24 | 74.9 Ų | 74.9 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -78.3 | -9.3 | 171.8 | -71.7 | 166 | 0 | 0 | 0 | 112.9 | V384 T388 I391 Y399 A414 E415 R419 | V384-L417 HydrophobicContact CG1-CD1 4.45Å; V384-L417 HydrophobicContact CG2-CD1 3.89Å; T388-L417 HydrophobicContact CG2-CB 3.95Å; T388-L417 WeakPolarHBondContact CG2-O 3.46Å; I391-L417 HydrophobicContact CD1-CB 4.31Å; I391-L417 HydrophobicContact CD1-CD1 3.84Å; I391-L417 HydrophobicContact CD1-CD2 4.01Å; I391-L417 HydrophobicContact CD1-CG 4.28Å; Y399-L417 HydrophobicContact CD1-CD1 4.15Å; Y399-L417 HydrophobicContact CD2-CD1 4.09Å; Y399-L417 HydrophobicContact CD2-CD2 3.66Å; Y399-L417 HydrophobicContact CD2-CG 3.73Å; Y399-L417 HydrophobicContact CE1-CD1 4.38Å; Y399-L417 HydrophobicContact CE2-CD1 4.31Å; Y399-L417 HydrophobicContact CE2-CD2 4.46Å; Y399-L417 HydrophobicContact CE2-CG 4.04Å; Y399-L417 HydrophobicContact CG-CD1 4.01Å; Y399-L417 HydrophobicContact CG-CD2 3.83Å; Y399-L417 HydrophobicContact CG-CG 4.07Å; A414-L417 WeakPolarHBondContact O-CB 3.2Å; A414-L417 PolarHBondContact O-N 3.44Å; E415-L417 PolarHBondContact O-N 3.25Å; E415-L417 VanDerWaalsContact O-N 3.08Å; L417-R419 PolarHBondContact O-N 3.13Å; L417-R419 VanDerWaalsContact O-N 3.14Å |
| 418 | R | 76.6 | Confident | 86.8 | Confident | 146 Ų | 146 | 80 Ų | 80 | 55% | 0.551 | 37% | 0.372 | S | S | * | . | trans | -61.4 | 112.9 | 167.5 | -82.3 | 175.8 | 173 | 170.4 | 4.7 | 109.3 | Q386 A387 E415 S416 | Q386-R418 PolarHBondContact O-NH2 2.88Å; A387-R418 HydrophobicContact CB-CG 4.17Å; A387-R418 WeakPolarHBondContact O-CG 3.39Å; A387-R418 PolarHBondContact O-NE 3.12Å; A387-R418 VanDerWaalsContact O-NE 3.11Å; E415-R418 VanDerWaalsContact O-CB 3.3Å; E415-R418 WeakPolarHBondContact O-CB 3.44Å; E415-R418 PolarHBondContact O-N 3.14Å; S416-R418 VanDerWaalsContact C-N 3.26Å | ||
| 419 | R | 56.9 | Low | 86.1 | Confident | 301 Ų | 301 | 80.7 Ų | 80.7 | 100% | 1.136 | 37% | 0.366 | S | S | * | . | trans | -117.9 | 0 | 163.1 | -84.2 | -168.2 | 177.5 | -172.4 | -0.7 | 109.5 | L417 | L417-R419 PolarHBondContact O-N 3.13Å; L417-R419 VanDerWaalsContact O-N 3.14Å |
Retrieved 419 of 419 residues in 2212.9 ms
(Link to these results)