| 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 | 42.8 | Very low | 47.8 | Very low | 218 Ų | 218 | 132.8 Ų | 132.8 | 100% | 1.074 | 64% | 0.641 | S | S | * | * | 0 | 139.6 | 0 | -112.6 | -155.2 | -63.8 | 0 | 0 | 106.9 | |||||
| 2 | F | 44.1 | Very low | 50.9 | Low | 156 Ų | 156 | 131.2 Ų | 131.2 | 68% | 0.684 | 63% | 0.631 | S | S | * | * | trans | 49.2 | 114.3 | 166.6 | -70.1 | -85.1 | 0 | 0 | 0 | 117 | ||||
| 3 | W | 47.6 | Very low | 53.8 | Low | 190 Ų | 190 | 121.2 Ų | 121.2 | 72% | 0.72 | 58% | 0.583 | S | S | * | * | cis | -137.9 | 109.6 | 14.5 | -64.8 | 70.4 | 0 | 0 | 0 | 110.5 | F5 | W3-F5 HydrophobicContact CD2-CD2 4.28Å; W3-F5 HydrophobicContact CD2-CE2 4.32Å; W3-F5 HydrophobicContact CE3-CD1 4.25Å; W3-F5 AromaticContact CE3-CD2 3.33Å; W3-F5 HydrophobicContact CE3-CD2 3.33Å; W3-F5 HydrophobicContact CE3-CE1 4.26Å; W3-F5 AromaticContact CE3-CE2 3.31Å; W3-F5 HydrophobicContact CE3-CE2 3.31Å; W3-F5 AromaticContact CE3-CG 3.83Å; W3-F5 HydrophobicContact CE3-CG 3.83Å; W3-F5 AromaticContact CE3-CZ 3.82Å; W3-F5 HydrophobicContact CE3-CZ 3.82Å; W3-F5 HydrophobicContact CH2-CE2 4.49Å; W3-F5 HydrophobicContact CH2-CZ 4.43Å; W3-F5 HydrophobicContact CZ3-CD1 4.27Å; W3-F5 AromaticContact CZ3-CD2 3.88Å; W3-F5 HydrophobicContact CZ3-CD2 3.88Å; W3-F5 AromaticContact CZ3-CE1 3.88Å; W3-F5 HydrophobicContact CZ3-CE1 3.88Å; W3-F5 AromaticContact CZ3-CE2 3.43Å; W3-F5 HydrophobicContact CZ3-CE2 3.43Å; W3-F5 VanDerWaalsContact CZ3-CE2 3.43Å; W3-F5 HydrophobicContact CZ3-CG 4.29Å; W3-F5 AromaticContact CZ3-CZ 3.43Å; W3-F5 HydrophobicContact CZ3-CZ 3.43Å; W3-F5 VanDerWaalsContact CZ3-CZ 3.43Å | ||
| 4 | K | 38.5 | Very low | 56.3 | Low | 167 Ų | 167 | 115 Ų | 115 | 73% | 0.726 | 56% | 0.555 | S | S | * | * | trans | -95.6 | 87.8 | 147.5 | -119 | -176.2 | 156.6 | -87.7 | 0 | 105.8 | D6 | K4-D6 VanDerWaalsContact NZ-CG 3.31Å; K4-D6 IonicContact NZ-OD1 3.94Å; K4-D6 PolarHBondContact NZ-OD1 3.34Å; K4-D6 IonicContact NZ-OD2 3.41Å; K4-D6 PolarHBondContact NZ-OD2 3.04Å; K4-D6 PolarHBondContact O-N 3.32Å | ||
| 5 | F | 39.5 | Very low | 58.3 | Low | 130 Ų | 130 | 110.7 Ų | 110.7 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | trans | -85.3 | 84.3 | 160.4 | -95.2 | -132.7 | 0 | 0 | 0 | 106 | W3 L7 | W3-F5 HydrophobicContact CD2-CD2 4.28Å; W3-F5 HydrophobicContact CD2-CE2 4.32Å; W3-F5 HydrophobicContact CE3-CD1 4.25Å; W3-F5 AromaticContact CE3-CD2 3.33Å; W3-F5 HydrophobicContact CE3-CD2 3.33Å; W3-F5 HydrophobicContact CE3-CE1 4.26Å; W3-F5 AromaticContact CE3-CE2 3.31Å; W3-F5 HydrophobicContact CE3-CE2 3.31Å; W3-F5 AromaticContact CE3-CG 3.83Å; W3-F5 HydrophobicContact CE3-CG 3.83Å; W3-F5 AromaticContact CE3-CZ 3.82Å; W3-F5 HydrophobicContact CE3-CZ 3.82Å; W3-F5 HydrophobicContact CH2-CE2 4.49Å; W3-F5 HydrophobicContact CH2-CZ 4.43Å; W3-F5 HydrophobicContact CZ3-CD1 4.27Å; W3-F5 AromaticContact CZ3-CD2 3.88Å; W3-F5 HydrophobicContact CZ3-CD2 3.88Å; W3-F5 AromaticContact CZ3-CE1 3.88Å; W3-F5 HydrophobicContact CZ3-CE1 3.88Å; W3-F5 AromaticContact CZ3-CE2 3.43Å; W3-F5 HydrophobicContact CZ3-CE2 3.43Å; W3-F5 VanDerWaalsContact CZ3-CE2 3.43Å; W3-F5 HydrophobicContact CZ3-CG 4.29Å; W3-F5 AromaticContact CZ3-CZ 3.43Å; W3-F5 HydrophobicContact CZ3-CZ 3.43Å; W3-F5 VanDerWaalsContact CZ3-CZ 3.43Å; F5-L7 HydrophobicContact CB-CG 4.44Å; F5-L7 HydrophobicContact CD1-CD1 3.89Å; F5-L7 HydrophobicContact CD1-CG 3.91Å; F5-L7 PolarHBondContact O-N 3.49Å | ||
| 6 | D | 38.9 | Very low | 60.3 | Low | 99 Ų | 99 | 104.1 Ų | 104.1 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | trans | -66 | 69 | 150.4 | -64.2 | -65.9 | 0 | 0 | 0 | 106.6 | K4 H8 | K4-D6 VanDerWaalsContact NZ-CG 3.31Å; K4-D6 IonicContact NZ-OD1 3.94Å; K4-D6 PolarHBondContact NZ-OD1 3.34Å; K4-D6 IonicContact NZ-OD2 3.41Å; K4-D6 PolarHBondContact NZ-OD2 3.04Å; K4-D6 PolarHBondContact O-N 3.32Å; D6-H8 PolarHBondContact O-N 2.7Å | ||
| 7 | L | 43.4 | Very low | 62.1 | Low | 116 Ų | 116 | 99.6 Ų | 99.6 | 61% | 0.607 | 49% | 0.485 | S | S | * | . | trans | -66.4 | 90.4 | 161 | -97.1 | 167.3 | 0 | 0 | 0 | 105.1 | F5 T9 | F5-L7 HydrophobicContact CB-CG 4.44Å; F5-L7 HydrophobicContact CD1-CD1 3.89Å; F5-L7 HydrophobicContact CD1-CG 3.91Å; F5-L7 PolarHBondContact O-N 3.49Å; L7-T9 HydrophobicContact CD2-CG2 4.46Å; L7-T9 PolarHBondContact O-N 3.38Å | ||
| 8 | H | 44.6 | Very low | 63.6 | Low | 160 Ų | 160 | 101.7 Ų | 101.7 | 74% | 0.741 | 49% | 0.494 | S | S | * | . | trans | -62.9 | 74.6 | 145.1 | -56 | -58 | 0 | 0 | 0 | 107.2 | D6 T10 | D6-H8 PolarHBondContact O-N 2.7Å; H8-T10 PolarHBondContact O-N 3.33Å | ||
| 9 | T | 49.6 | Very low | 64.9 | Low | 111 Ų | 111 | 102.6 Ų | 102.6 | 68% | 0.681 | 50% | 0.495 | S | S | * | . | trans | -58.8 | 87.9 | 143.2 | 43.3 | 0 | 0 | 0 | 0 | 105 | L7 S11 | L7-T9 HydrophobicContact CD2-CG2 4.46Å; L7-T9 PolarHBondContact O-N 3.38Å; T9-S11 PolarHBondContact O-N 3.03Å; T9-S11 VanDerWaalsContact O-N 3.11Å | ||
| 10 | T | 59.8 | Low | 65.5 | Low | 92 Ų | 92 | 106.7 Ų | 106.7 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | trans | -45.9 | 119.9 | 165.5 | 46.6 | 0 | 0 | 0 | 0 | 106 | H8 | H8-T10 PolarHBondContact O-N 3.33Š| ||
| 11 | S | 76.6 | Confident | 66.4 | Low | 22 Ų | 22 | 109.3 Ų | 109.3 | 15% | 0.154 | 53% | 0.53 | C | S | . | . | trans | -61.6 | 154.1 | -167.3 | 87.1 | 0 | 0 | 0 | 0 | 110.4 | T9 I13 D14 T15 E36 | T9-S11 PolarHBondContact O-N 3.03Å; T9-S11 VanDerWaalsContact O-N 3.11Å; S11-I13 PolarHBondContact O-N 3.06Å; S11-D14 WeakPolarHBondContact O-CB 3.49Å; S11-D14 PolarHBondContact O-N 2.74Å; S11-D14 VanDerWaalsContact O-N 3.08Å; S11-D14 WeakPolarHBondContact OG-CB 3.17Å; S11-D14 VanDerWaalsContact OG-CG 3.32Å; S11-D14 PolarHBondContact OG-N 3.32Å; S11-T15 PolarHBondContact O-N 2.65Å; S11-T15 VanDerWaalsContact O-N 3.08Å; S11-T15 PolarHBondContact O-OG1 3.43Å; S11-E36 VanDerWaalsContact CB-CD 3.44Å; S11-E36 WeakPolarHBondContact CB-OE1 3.17Å; S11-E36 WeakPolarHBondContact CB-OE2 3.28Å; S11-E36 PolarHBondContact OG-OE1 2.86Å; S11-E36 VanDerWaalsContact OG-OE1 3.06Å; S11-E36 PolarHBondContact OG-OE2 3.21Å | ||
| 12 | H | 85.8 | Confident | 68.7 | Low | 113 Ų | 113 | 100 Ų | 100 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -31.2 | -179.8 | -164.6 | -118.8 | 0 | 0 | 0 | 110 | T15 L16 E30 | H12-T15 PolarHBondContact O-N 2.82Å; H12-T15 PolarHBondContact O-OG1 3.43Å; H12-L16 VanDerWaalsContact O-CB 3.24Å; H12-L16 WeakPolarHBondContact O-CB 3.45Å; H12-L16 PolarHBondContact O-N 3.22Å; H12-E30 IonicContact CE1-OE1 3.19Å; H12-E30 PolarHBondContact CE1-OE1 2.68Å; H12-E30 VanDerWaalsContact CE1-OE1 3.22Å; H12-E30 IonicContact CE1-OE2 3.32Å; H12-E30 IonicContact CG-OE2 3.31Å; H12-E30 IonicContact ND1-OE1 2.72Å; H12-E30 PolarHBondContact ND1-OE1 3.44Å; H12-E30 IonicContact ND1-OE2 3.64Å; H12-E30 PolarHBondContact ND1-OE2 2.79Å |
| 13 | I | 88.3 | Confident | 71 | Confident | 1 Ų | 1 | 95.4 Ų | 95.4 | 1% | 0.005 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 169.7 | -63.3 | -179.8 | 0 | 0 | 0 | 111.7 | S11 T15 L16 L17 E30 V33 E36 L44 | S11-I13 PolarHBondContact O-N 3.06Å; I13-T15 PolarHBondContact O-N 3.21Å; I13-L16 PolarHBondContact O-N 3.06Å; I13-L17 HydrophobicContact CG2-CD1 3.58Å; I13-L17 HydrophobicContact CG2-CG 4.07Å; I13-L17 VanDerWaalsContact O-CB 3.28Å; I13-L17 WeakPolarHBondContact O-CB 3.34Å; I13-L17 WeakPolarHBondContact O-CG 3.47Å; I13-L17 PolarHBondContact O-N 2.73Å; I13-E30 HydrophobicContact CD1-CB 4.16Å; I13-E30 HydrophobicContact CG1-CB 3.97Å; I13-E30 HydrophobicContact CG1-CG 4.06Å; I13-V33 VanDerWaalsContact CD1-CA 3.46Å; I13-V33 HydrophobicContact CD1-CB 3.85Å; I13-V33 HydrophobicContact CD1-CG2 4.09Å; I13-E36 HydrophobicContact CD1-CB 4.23Å; I13-E36 HydrophobicContact CD1-CG 4.33Å; I13-L44 HydrophobicContact CD1-CD2 4.14Å; I13-L44 HydrophobicContact CG2-CB 4.06Å; I13-L44 HydrophobicContact CG2-CD1 3.97Å; I13-L44 HydrophobicContact CG2-CD2 4.34Å; I13-L44 HydrophobicContact CG2-CG 4.34Å |
| 14 | D | 88.3 | Confident | 73.2 | Confident | 35 Ų | 35 | 86.8 Ų | 86.8 | 19% | 0.187 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -56.7 | -35.8 | 176.2 | -84.5 | -8 | 0 | 0 | 0 | 112.8 | S11 E18 N41 K43 | S11-D14 WeakPolarHBondContact O-CB 3.49Å; S11-D14 PolarHBondContact O-N 2.74Å; S11-D14 VanDerWaalsContact O-N 3.08Å; S11-D14 WeakPolarHBondContact OG-CB 3.17Å; S11-D14 VanDerWaalsContact OG-CG 3.32Å; S11-D14 PolarHBondContact OG-N 3.32Å; D14-E18 WeakPolarHBondContact O-CG 3.27Å; D14-N41 PolarHBondContact OD1-ND2 2.88Å; D14-N41 PolarHBondContact OD1-OD1 3.48Å; D14-K43 HydrophobicContact CB-CD 4.13Å; D14-K43 PolarHBondContact O-NZ 2.76Å; D14-K43 WeakPolarHBondContact OD1-CD 3.42Å |
| 15 | T | 87.6 | Confident | 75.7 | Confident | 51 Ų | 51 | 81.1 Ų | 81.1 | 31% | 0.313 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -92.3 | -23.7 | -179 | 45.1 | 0 | 0 | 0 | 0 | 113.1 | S11 H12 I13 | S11-T15 PolarHBondContact O-N 2.65Å; S11-T15 VanDerWaalsContact O-N 3.08Å; S11-T15 PolarHBondContact O-OG1 3.43Å; H12-T15 PolarHBondContact O-N 2.82Å; H12-T15 PolarHBondContact O-OG1 3.43Å; I13-T15 PolarHBondContact O-N 3.21Å |
| 16 | L | 90 | Very high | 78.2 | Confident | 4 Ų | 4 | 78.9 Ų | 78.9 | 2% | 0.021 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.2 | -51.1 | 164 | 175.6 | 61.5 | 0 | 0 | 0 | 110.1 | H12 I13 E18 K19 V22 E26 V27 E30 | H12-L16 VanDerWaalsContact O-CB 3.24Å; H12-L16 WeakPolarHBondContact O-CB 3.45Å; H12-L16 PolarHBondContact O-N 3.22Å; I13-L16 PolarHBondContact O-N 3.06Å; L16-E18 PolarHBondContact O-N 3.05Å; L16-E18 VanDerWaalsContact O-N 3.15Å; L16-K19 HydrophobicContact CD1-CD 4.09Å; L16-K19 WeakPolarHBondContact O-CB 3.42Å; L16-K19 WeakPolarHBondContact O-CG 3.17Å; L16-K19 PolarHBondContact O-N 3.15Å; L16-V22 HydrophobicContact CD1-CG1 4.32Å; L16-V22 HydrophobicContact CG-CG1 4.11Å; L16-V22 WeakPolarHBondContact O-CG2 3.48Å; L16-E26 HydrophobicContact CD2-CB 4.49Å; L16-V27 HydrophobicContact CD2-CB 4.44Å; L16-V27 HydrophobicContact CD2-CG2 3.83Å; L16-V27 HydrophobicContact CG-CG2 4.49Å; L16-E30 HydrophobicContact CD2-CG 3.71Å |
| 17 | L | 90.6 | Very high | 80.8 | Confident | 28 Ų | 28 | 74.1 Ų | 74.1 | 15% | 0.147 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -7.9 | -177.6 | -68.1 | 175.6 | 0 | 0 | 0 | 114.8 | I13 V22 V27 K43 L44 F47 | I13-L17 HydrophobicContact CG2-CD1 3.58Å; I13-L17 HydrophobicContact CG2-CG 4.07Å; I13-L17 VanDerWaalsContact O-CB 3.28Å; I13-L17 WeakPolarHBondContact O-CB 3.34Å; I13-L17 WeakPolarHBondContact O-CG 3.47Å; I13-L17 PolarHBondContact O-N 2.73Å; L17-V22 HydrophobicContact CD2-CG1 4.35Å; L17-V27 HydrophobicContact CD2-CG2 3.87Å; L17-K43 HydrophobicContact CD1-CB 3.88Å; L17-L44 HydrophobicContact CD1-CB 4.39Å; L17-F47 HydrophobicContact CD1-CB 4.27Å; L17-F47 HydrophobicContact CD2-CB 3.8Å; L17-F47 HydrophobicContact CD2-CD1 4.18Å; L17-F47 HydrophobicContact CD2-CD2 3.26Å; L17-F47 HydrophobicContact CD2-CE2 3.81Å; L17-F47 HydrophobicContact CD2-CG 3.48Å; L17-F47 VanDerWaalsContact CD2-CG 3.48Å; L17-F47 HydrophobicContact CD2-CZ 4.47Å |
| 18 | E | 88.1 | Confident | 83.2 | Confident | 138 Ų | 138 | 68.6 Ų | 68.6 | 65% | 0.645 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -7.2 | 171.1 | -80.8 | 174.6 | -168.2 | 0 | 0 | 113.4 | D14 L16 K43 | D14-E18 WeakPolarHBondContact O-CG 3.27Å; L16-E18 PolarHBondContact O-N 3.05Å; L16-E18 VanDerWaalsContact O-N 3.15Å; E18-K43 IonicContact OE1-NZ 2.74Å; E18-K43 PolarHBondContact OE1-NZ 2.71Å |
| 19 | K | 88.7 | Confident | 85.5 | Confident | 119 Ų | 119 | 64.4 Ų | 64.4 | 52% | 0.517 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -77.8 | 150.9 | 172.4 | -56.7 | 170 | -164.3 | 163.3 | 0 | 110.9 | L16 V22 | L16-K19 HydrophobicContact CD1-CD 4.09Å; L16-K19 WeakPolarHBondContact O-CB 3.42Å; L16-K19 WeakPolarHBondContact O-CG 3.17Å; L16-K19 PolarHBondContact O-N 3.15Å; K19-V22 HydrophobicContact CB-CG2 3.73Å; K19-V22 WeakPolarHBondContact O-CG2 3.34Å |
| 20 | E | 77.8 | Confident | 87.7 | Confident | 184 Ų | 184 | 61.2 Ų | 61.2 | 86% | 0.86 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | 148 | 166.1 | -62.6 | 179.7 | 164.8 | 0 | 0 | 109.6 | V22 | E20-V22 PolarHBondContact O-N 3.26Š|
| 21 | D | 84.4 | Confident | 89 | Confident | 162 Ų | 162 | 64.5 Ų | 64.5 | 87% | 0.866 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 25.2 | 176.4 | -59.2 | -24.4 | 0 | 0 | 0 | 118.6 | T23 | D21-T23 PolarHBondContact O-N 2.8Š|
| 22 | V | 90.9 | Very high | 89.8 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 13% | 0.127 | 34% | 0.343 | C | S | . | . | trans | -57.7 | 129.4 | 174 | 179.9 | 0 | 0 | 0 | 0 | 113 | L16 L17 K19 E20 V27 F47 | L16-V22 HydrophobicContact CD1-CG1 4.32Å; L16-V22 HydrophobicContact CG-CG1 4.11Å; L16-V22 WeakPolarHBondContact O-CG2 3.48Å; L17-V22 HydrophobicContact CD2-CG1 4.35Å; K19-V22 HydrophobicContact CB-CG2 3.73Å; K19-V22 WeakPolarHBondContact O-CG2 3.34Å; E20-V22 PolarHBondContact O-N 3.26Å; V22-V27 HydrophobicContact CG1-CG2 3.63Å; V22-F47 HydrophobicContact CB-CE2 4.27Å; V22-F47 HydrophobicContact CG1-CE2 4.07Å; V22-F47 HydrophobicContact CG1-CZ 4.22Å | ||
| 23 | T | 92.3 | Very high | 90.2 | Very high | 60 Ų | 60 | 62.1 Ų | 62.1 | 37% | 0.368 | 32% | 0.319 | S | S | . | . | trans | -89.7 | 157 | 176.6 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | D21 T25 E26 V27 | D21-T23 PolarHBondContact O-N 2.8Å; T23-T25 VanDerWaalsContact C-N 3.29Å; T23-T25 PolarHBondContact O-N 3.21Å; T23-T25 PolarHBondContact OG1-OG1 2.98Å; T23-T25 VanDerWaalsContact OG1-OG1 3.06Å; T23-E26 WeakPolarHBondContact CB-OE2 3.38Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.24Å; T23-E26 PolarHBondContact N-OE2 2.88Å; T23-E26 PolarHBondContact O-N 3.01Å; T23-E26 VanDerWaalsContact OG1-CD 3.31Å; T23-E26 VanDerWaalsContact OG1-CG 3.27Å; T23-E26 WeakPolarHBondContact OG1-CG 3.44Å; T23-E26 PolarHBondContact OG1-N 2.83Å; T23-E26 PolarHBondContact OG1-OE2 3.37Å; T23-V27 PolarHBondContact O-N 3.47Å | ||
| 24 | L | 93.3 | Very high | 90.6 | Very high | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -37.3 | 172.9 | 176 | 65 | 0 | 0 | 0 | 111.9 | V27 M28 F47 L48 C53 D56 L57 F60 | L24-V27 PolarHBondContact O-N 3.5Å; L24-M28 HydrophobicContact CD1-CG 4.05Å; L24-M28 HydrophobicContact CD1-SD 3.98Å; L24-M28 HydrophobicContact CD2-SD 4Å; L24-M28 HydrophobicContact CG-CG 4.2Å; L24-M28 HydrophobicContact CG-SD 3.65Å; L24-M28 WeakPolarHBondContact O-CB 3.41Å; L24-M28 WeakPolarHBondContact O-CG 3.42Å; L24-M28 PolarHBondContact O-N 3.3Å; L24-F47 HydrophobicContact CB-CE1 4.49Å; L24-F47 HydrophobicContact CD1-CE1 4.13Å; L24-L48 HydrophobicContact CD1-CD2 3.75Å; L24-C53 HydrophobicContact CD1-CB 4.44Å; L24-D56 HydrophobicContact CD2-CB 3.57Å; L24-L57 HydrophobicContact CD1-CD2 4.28Å; L24-L57 HydrophobicContact CD1-CG 4.46Å; L24-L57 HydrophobicContact CD2-CD2 4.04Å; L24-L57 HydrophobicContact CD2-CG 3.88Å; L24-F60 HydrophobicContact CD2-CE2 4.15Å |
| 25 | T | 91.7 | Very high | 90.8 | Very high | 47 Ų | 47 | 69.1 Ų | 69.1 | 29% | 0.288 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 178.5 | 34.5 | 0 | 0 | 0 | 0 | 112.7 | T23 V27 M28 D29 F60 Y77 | T23-T25 VanDerWaalsContact C-N 3.29Å; T23-T25 PolarHBondContact O-N 3.21Å; T23-T25 PolarHBondContact OG1-OG1 2.98Å; T23-T25 VanDerWaalsContact OG1-OG1 3.06Å; T25-V27 VanDerWaalsContact C-N 3.35Å; T25-V27 PolarHBondContact O-N 2.82Å; T25-M28 CarbonylContact O-C 3.45Å; T25-M28 PolarHBondContact O-N 2.93Å; T25-D29 WeakPolarHBondContact O-CB 3.22Å; T25-D29 PolarHBondContact O-N 2.89Å; T25-F60 HydrophobicContact CG2-CZ 4.07Å; T25-Y77 HydrophobicContact CG2-CE1 4.18Å; T25-Y77 HydrophobicContact CG2-CE2 4.08Å |
| 26 | E | 92.3 | Very high | 91.1 | Very high | 83 Ų | 83 | 67.8 Ų | 67.8 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 175 | -72.1 | 161.3 | 124.6 | 0 | 0 | 111.4 | L16 T23 M28 D29 | L16-E26 HydrophobicContact CD2-CB 4.49Å; T23-E26 WeakPolarHBondContact CB-OE2 3.38Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.24Å; T23-E26 PolarHBondContact N-OE2 2.88Å; T23-E26 PolarHBondContact O-N 3.01Å; T23-E26 VanDerWaalsContact OG1-CD 3.31Å; T23-E26 VanDerWaalsContact OG1-CG 3.27Å; T23-E26 WeakPolarHBondContact OG1-CG 3.44Å; T23-E26 PolarHBondContact OG1-N 2.83Å; T23-E26 PolarHBondContact OG1-OE2 3.37Å; E26-M28 VanDerWaalsContact C-N 3.34Å; E26-M28 PolarHBondContact O-N 3.38Å; E26-D29 PolarHBondContact O-N 3.21Å |
| 27 | V | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 176.7 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | L16 L17 V22 T23 L24 T25 D29 V33 L44 F47 | L16-V27 HydrophobicContact CD2-CB 4.44Å; L16-V27 HydrophobicContact CD2-CG2 3.83Å; L16-V27 HydrophobicContact CG-CG2 4.49Å; L17-V27 HydrophobicContact CD2-CG2 3.87Å; V22-V27 HydrophobicContact CG1-CG2 3.63Å; T23-V27 PolarHBondContact O-N 3.47Å; L24-V27 PolarHBondContact O-N 3.5Å; T25-V27 VanDerWaalsContact C-N 3.35Å; T25-V27 PolarHBondContact O-N 2.82Å; V27-D29 VanDerWaalsContact C-N 3.29Å; V27-V33 HydrophobicContact CG1-CG2 4.07Å; V27-V33 WeakPolarHBondContact O-CB 3.18Å; V27-V33 VanDerWaalsContact O-CG2 3.28Å; V27-V33 WeakPolarHBondContact O-CG2 3.39Å; V27-L44 HydrophobicContact CG1-CD1 3.48Å; V27-L44 VanDerWaalsContact CG1-CD1 3.48Å; V27-F47 HydrophobicContact CB-CE1 4.15Å; V27-F47 HydrophobicContact CG1-CD1 4.48Å; V27-F47 HydrophobicContact CG1-CE1 4.43Å; V27-F47 HydrophobicContact CG2-CD1 4.26Å; V27-F47 HydrophobicContact CG2-CE1 3.76Å; V27-F47 HydrophobicContact CG2-CE2 4.45Å; V27-F47 HydrophobicContact CG2-CZ 3.87Å |
| 28 | M | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -78.2 | -10.4 | 174.2 | -71.3 | 175.2 | 68.1 | 0 | 0 | 113.8 | L24 T25 E26 L57 F60 Y77 I80 S81 L84 | L24-M28 HydrophobicContact CD1-CG 4.05Å; L24-M28 HydrophobicContact CD1-SD 3.98Å; L24-M28 HydrophobicContact CD2-SD 4Å; L24-M28 HydrophobicContact CG-CG 4.2Å; L24-M28 HydrophobicContact CG-SD 3.65Å; L24-M28 WeakPolarHBondContact O-CB 3.41Å; L24-M28 WeakPolarHBondContact O-CG 3.42Å; L24-M28 PolarHBondContact O-N 3.3Å; T25-M28 CarbonylContact O-C 3.45Å; T25-M28 PolarHBondContact O-N 2.93Å; E26-M28 VanDerWaalsContact C-N 3.34Å; E26-M28 PolarHBondContact O-N 3.38Å; M28-L57 HydrophobicContact SD-CD2 4.07Å; M28-F60 HydrophobicContact CE-CD2 4.46Å; M28-F60 HydrophobicContact SD-CD2 4.41Å; M28-F60 HydrophobicContact SD-CE2 4.19Å; M28-Y77 HydrophobicContact CB-CD1 4.29Å; M28-Y77 HydrophobicContact CE-CD1 4.01Å; M28-Y77 HydrophobicContact CE-CG 4.41Å; M28-Y77 VanDerWaalsContact CE-O 3.23Å; M28-Y77 WeakPolarHBondContact CE-O 3.43Å; M28-I80 HydrophobicContact CB-CG2 4.18Å; M28-I80 HydrophobicContact CE-CB 3.74Å; M28-I80 HydrophobicContact CE-CG2 3.72Å; M28-I80 HydrophobicContact CG-CG2 4.04Å; M28-I80 VanDerWaalsContact O-CD1 3.3Å; M28-I80 WeakPolarHBondContact O-CD1 3.3Å; M28-S81 WeakPolarHBondContact CE-OG 3.37Å; M28-L84 HydrophobicContact CG-CD1 4.26Å |
| 29 | D | 93.2 | Very high | 91.7 | Very high | 72 Ų | 72 | 68.5 Ų | 68.5 | 39% | 0.385 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -86 | -18.2 | 175.5 | -87.1 | -30.7 | 0 | 0 | 0 | 113.1 | T25 E26 V27 K76 Y77 | T25-D29 WeakPolarHBondContact O-CB 3.22Å; T25-D29 PolarHBondContact O-N 2.89Å; E26-D29 PolarHBondContact O-N 3.21Å; V27-D29 VanDerWaalsContact C-N 3.29Å; D29-K76 PolarHBondContact O-NZ 3.26Å; D29-K76 WeakPolarHBondContact OD1-CE 3.38Å; D29-K76 IonicContact OD1-NZ 2.72Å; D29-K76 PolarHBondContact OD1-NZ 3.36Å; D29-Y77 PolarHBondContact OD2-OH 2.69Å |
| 30 | E | 93.9 | Very high | 91.8 | Very high | 43 Ų | 43 | 66.9 Ų | 66.9 | 20% | 0.201 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -69.5 | 127.9 | 175.5 | -63.1 | -65.7 | 167.6 | 0 | 0 | 112.7 | H12 I13 L16 D32 V33 | H12-E30 IonicContact CE1-OE1 3.19Å; H12-E30 PolarHBondContact CE1-OE1 2.68Å; H12-E30 VanDerWaalsContact CE1-OE1 3.22Å; H12-E30 IonicContact CE1-OE2 3.32Å; H12-E30 IonicContact CG-OE2 3.31Å; H12-E30 IonicContact ND1-OE1 2.72Å; H12-E30 PolarHBondContact ND1-OE1 3.44Å; H12-E30 IonicContact ND1-OE2 3.64Å; H12-E30 PolarHBondContact ND1-OE2 2.79Å; I13-E30 HydrophobicContact CD1-CB 4.16Å; I13-E30 HydrophobicContact CG1-CB 3.97Å; I13-E30 HydrophobicContact CG1-CG 4.06Å; L16-E30 HydrophobicContact CD2-CG 3.71Å; E30-D32 VanDerWaalsContact C-N 3.33Å; E30-D32 PolarHBondContact O-N 3.4Å; E30-V33 WeakPolarHBondContact O-CB 3.48Å; E30-V33 VanDerWaalsContact O-CG1 3.28Å; E30-V33 WeakPolarHBondContact O-CG1 3.44Å; E30-V33 PolarHBondContact O-N 3.22Å |
| 31 | D | 89.1 | Confident | 92.6 | Very high | 162 Ų | 162 | 59.6 Ų | 59.6 | 87% | 0.866 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -37.9 | -173.2 | -69.7 | -48.9 | 0 | 0 | 0 | 113.4 | V33 | D31-V33 VanDerWaalsContact C-N 3.34Å; D31-V33 PolarHBondContact O-N 2.88Å |
| 32 | D | 92.4 | Very high | 93 | Very high | 81 Ų | 81 | 58.4 Ų | 58.4 | 43% | 0.433 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -0.9 | -176.9 | -79.8 | -50.6 | 0 | 0 | 0 | 114.3 | E30 L34 Q35 E36 | E30-D32 VanDerWaalsContact C-N 3.33Å; E30-D32 PolarHBondContact O-N 3.4Å; D32-L34 VanDerWaalsContact C-N 3.3Å; D32-L34 PolarHBondContact O-N 3.48Å; D32-L34 VanDerWaalsContact O-N 3.13Å; D32-Q35 CarbonylContact O-C 3.53Å; D32-Q35 WeakPolarHBondContact O-CA 3.41Å; D32-Q35 WeakPolarHBondContact O-CB 3.3Å; D32-Q35 PolarHBondContact O-N 3.17Å; D32-Q35 PolarHBondContact OD1-NE2 3.25Å; D32-E36 HydrophobicContact CB-CG 4.37Å; D32-E36 PolarHBondContact O-N 2.92Å |
| 33 | V | 94.9 | Very high | 93 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.1 | -38.3 | -170.4 | 70.2 | 0 | 0 | 0 | 0 | 114.2 | I13 V27 E30 D31 C37 L44 I80 L84 | I13-V33 VanDerWaalsContact CD1-CA 3.46Å; I13-V33 HydrophobicContact CD1-CB 3.85Å; I13-V33 HydrophobicContact CD1-CG2 4.09Å; V27-V33 HydrophobicContact CG1-CG2 4.07Å; V27-V33 WeakPolarHBondContact O-CB 3.18Å; V27-V33 VanDerWaalsContact O-CG2 3.28Å; V27-V33 WeakPolarHBondContact O-CG2 3.39Å; E30-V33 WeakPolarHBondContact O-CB 3.48Å; E30-V33 VanDerWaalsContact O-CG1 3.28Å; E30-V33 WeakPolarHBondContact O-CG1 3.44Å; E30-V33 PolarHBondContact O-N 3.22Å; D31-V33 VanDerWaalsContact C-N 3.34Å; D31-V33 PolarHBondContact O-N 2.88Å; V33-C37 WeakPolarHBondContact O-CB 3.37Å; V33-C37 PolarHBondContact O-N 3.42Å; V33-L44 HydrophobicContact CG2-CD1 4.27Å; V33-L44 HydrophobicContact CG2-CD2 4.21Å; V33-I80 HydrophobicContact CG1-CG2 4.17Å; V33-L84 HydrophobicContact CG2-CD2 4.47Å |
| 34 | L | 94.8 | Very high | 93.1 | Very high | 47 Ų | 47 | 58.2 Ų | 58.2 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.8 | -29.7 | 177.1 | -63 | -175.5 | 0 | 0 | 0 | 112.4 | D32 K38 I80 E83 L84 | D32-L34 VanDerWaalsContact C-N 3.3Å; D32-L34 PolarHBondContact O-N 3.48Å; D32-L34 VanDerWaalsContact O-N 3.13Å; L34-K38 WeakPolarHBondContact O-CB 3.46Å; L34-K38 WeakPolarHBondContact O-CD 3.28Å; L34-K38 WeakPolarHBondContact O-CG 3.32Å; L34-K38 PolarHBondContact O-N 3.48Å; L34-I80 HydrophobicContact CD2-CG2 4.12Å; L34-E83 HydrophobicContact CD1-CB 3.82Å; L34-E83 HydrophobicContact CD1-CG 4.12Å; L34-E83 HydrophobicContact CD2-CB 3.64Å; L34-E83 HydrophobicContact CG-CB 4.39Å; L34-L84 HydrophobicContact CD2-CD2 3.78Å; L34-L84 HydrophobicContact CD2-CG 3.79Å |
| 35 | Q | 93.6 | Very high | 93.2 | Very high | 136 Ų | 136 | 58 Ų | 58 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -76.3 | -46.6 | 177.4 | -176.1 | 168.6 | -87.1 | 0 | 0 | 110.8 | D32 C37 K38 A39 | D32-Q35 CarbonylContact O-C 3.53Å; D32-Q35 WeakPolarHBondContact O-CA 3.41Å; D32-Q35 WeakPolarHBondContact O-CB 3.3Å; D32-Q35 PolarHBondContact O-N 3.17Å; D32-Q35 PolarHBondContact OD1-NE2 3.25Å; Q35-C37 VanDerWaalsContact C-N 3.34Å; Q35-C37 PolarHBondContact O-N 3.08Å; Q35-K38 PolarHBondContact O-N 3.29Å; Q35-A39 VanDerWaalsContact O-CB 3.31Å; Q35-A39 WeakPolarHBondContact O-CB 3.45Å; Q35-A39 PolarHBondContact O-N 3.26Å |
| 36 | E | 93.4 | Very high | 93.3 | Very high | 24 Ų | 24 | 61.1 Ų | 61.1 | 11% | 0.112 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.7 | -35 | 176.7 | -71.7 | -163.1 | -128.5 | 0 | 0 | 112.7 | S11 I13 D32 A39 Q40 N41 L44 | S11-E36 VanDerWaalsContact CB-CD 3.44Å; S11-E36 WeakPolarHBondContact CB-OE1 3.17Å; S11-E36 WeakPolarHBondContact CB-OE2 3.28Å; S11-E36 PolarHBondContact OG-OE1 2.86Å; S11-E36 VanDerWaalsContact OG-OE1 3.06Å; S11-E36 PolarHBondContact OG-OE2 3.21Å; I13-E36 HydrophobicContact CD1-CB 4.23Å; I13-E36 HydrophobicContact CD1-CG 4.33Å; D32-E36 HydrophobicContact CB-CG 4.37Å; D32-E36 PolarHBondContact O-N 2.92Å; E36-A39 CarbonylContact O-C 3.59Å; E36-A39 PolarHBondContact O-N 3.36Å; E36-Q40 PolarHBondContact O-N 3.47Å; E36-N41 HydrophobicContact CB-CB 4.26Å; E36-N41 PolarHBondContact O-N 2.79Å; E36-N41 PolarHBondContact OE2-ND2 3.06Å; E36-L44 HydrophobicContact CB-CD2 3.73Å |
| 37 | C | 94.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 172.4 | -172.7 | 0 | 0 | 0 | 0 | 110.9 | V33 Q35 A39 Q40 L44 L84 V89 | V33-C37 WeakPolarHBondContact O-CB 3.37Å; V33-C37 PolarHBondContact O-N 3.42Å; Q35-C37 VanDerWaalsContact C-N 3.34Å; Q35-C37 PolarHBondContact O-N 3.08Å; C37-A39 VanDerWaalsContact C-N 3.28Å; C37-A39 PolarHBondContact O-N 3.08Å; C37-Q40 WeakPolarHBondContact O-CA 3.41Å; C37-Q40 PolarHBondContact O-N 2.85Å; C37-L44 HydrophobicContact CB-CD2 4.04Å; C37-L84 HydrophobicContact CB-CD2 3.63Å; C37-V89 WeakPolarHBondContact O-CG2 3.49Å |
| 38 | K | 93.1 | Very high | 93.6 | Very high | 107 Ų | 107 | 57.3 Ų | 57.3 | 47% | 0.465 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.3 | -27 | 177.4 | -71.3 | 168.7 | -174.3 | 174 | 0 | 112.5 | L34 Q35 Q40 E83 | L34-K38 WeakPolarHBondContact O-CB 3.46Å; L34-K38 WeakPolarHBondContact O-CD 3.28Å; L34-K38 WeakPolarHBondContact O-CG 3.32Å; L34-K38 PolarHBondContact O-N 3.48Å; Q35-K38 PolarHBondContact O-N 3.29Å; K38-Q40 PolarHBondContact O-N 2.66Å; K38-E83 IonicContact NZ-OE2 3.82Å; K38-E83 PolarHBondContact NZ-OE2 3.49Å |
| 39 | A | 93.1 | Very high | 93.7 | Very high | 77 Ų | 77 | 59.2 Ų | 59.2 | 64% | 0.636 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 2.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q35 E36 C37 N41 | Q35-A39 VanDerWaalsContact O-CB 3.31Å; Q35-A39 WeakPolarHBondContact O-CB 3.45Å; Q35-A39 PolarHBondContact O-N 3.26Å; E36-A39 CarbonylContact O-C 3.59Å; E36-A39 PolarHBondContact O-N 3.36Å; C37-A39 VanDerWaalsContact C-N 3.28Å; C37-A39 PolarHBondContact O-N 3.08Å; A39-N41 PolarHBondContact O-N 3.11Å |
| 40 | Q | 92.4 | Very high | 93.8 | Very high | 84 Ų | 84 | 62.1 Ų | 62.1 | 39% | 0.393 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 42.6 | 179.8 | -55.9 | -174 | 4.8 | 0 | 0 | 114.2 | E36 C37 K38 H42 V89 | E36-Q40 PolarHBondContact O-N 3.47Å; C37-Q40 WeakPolarHBondContact O-CA 3.41Å; C37-Q40 PolarHBondContact O-N 2.85Å; K38-Q40 PolarHBondContact O-N 2.66Å; Q40-H42 PolarHBondContact O-N 3Å; Q40-V89 HydrophobicContact CG-CG2 4.34Å |
| 41 | N | 93.1 | Very high | 93.8 | Very high | 31 Ų | 31 | 63.1 Ų | 63.1 | 17% | 0.166 | 33% | 0.326 | C | S | . | . | trans | -56.2 | 113.9 | 171.1 | 177.5 | -9.8 | 0 | 0 | 0 | 109.9 | D14 E36 A39 K43 L44 V45 | D14-N41 PolarHBondContact OD1-ND2 2.88Å; D14-N41 PolarHBondContact OD1-OD1 3.48Å; E36-N41 HydrophobicContact CB-CB 4.26Å; E36-N41 PolarHBondContact O-N 2.79Å; E36-N41 PolarHBondContact OE2-ND2 3.06Å; A39-N41 PolarHBondContact O-N 3.11Å; N41-K43 VanDerWaalsContact C-N 3.33Å; N41-K43 PolarHBondContact O-N 2.74Å; N41-K43 PolarHBondContact OD1-N 2.92Å; N41-L44 HydrophobicContact CB-CB 4.13Å; N41-L44 PolarHBondContact O-N 2.64Å; N41-L44 VanDerWaalsContact O-N 3.13Å; N41-V45 WeakPolarHBondContact O-CG2 3.21Å; N41-V45 PolarHBondContact O-N 2.92Å | ||
| 42 | H | 92.4 | Very high | 94 | Very high | 138 Ų | 138 | 60.9 Ų | 60.9 | 64% | 0.639 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -55.5 | -40.9 | -177.8 | -64.5 | -57.6 | 0 | 0 | 0 | 113.7 | Q40 L44 V45 D46 | Q40-H42 PolarHBondContact O-N 3Å; H42-L44 PolarHBondContact O-N 3.37Å; H42-V45 PolarHBondContact O-N 3.05Å; H42-D46 VanDerWaalsContact O-CB 3.28Å; H42-D46 WeakPolarHBondContact O-CB 3.27Å; H42-D46 PolarHBondContact O-N 3.21Å |
| 43 | K | 92.8 | Very high | 94.1 | Very high | 77 Ų | 77 | 57.5 Ų | 57.5 | 34% | 0.335 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 178.1 | -76.5 | -168.5 | -174.8 | 167.4 | 0 | 111.3 | D14 L17 E18 N41 F47 | D14-K43 HydrophobicContact CB-CD 4.13Å; D14-K43 PolarHBondContact O-NZ 2.76Å; D14-K43 WeakPolarHBondContact OD1-CD 3.42Å; L17-K43 HydrophobicContact CD1-CB 3.88Å; E18-K43 IonicContact OE1-NZ 2.74Å; E18-K43 PolarHBondContact OE1-NZ 2.71Å; N41-K43 VanDerWaalsContact C-N 3.33Å; N41-K43 PolarHBondContact O-N 2.74Å; N41-K43 PolarHBondContact OD1-N 2.92Å; K43-F47 WeakPolarHBondContact O-CB 3.25Å; K43-F47 PolarHBondContact O-N 3.01Å |
| 44 | L | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.4 | -44.7 | 179.8 | 177.4 | 57.6 | 0 | 0 | 0 | 111.4 | I13 L17 V27 V33 E36 C37 N41 H42 F47 L48 | I13-L44 HydrophobicContact CD1-CD2 4.14Å; I13-L44 HydrophobicContact CG2-CB 4.06Å; I13-L44 HydrophobicContact CG2-CD1 3.97Å; I13-L44 HydrophobicContact CG2-CD2 4.34Å; I13-L44 HydrophobicContact CG2-CG 4.34Å; L17-L44 HydrophobicContact CD1-CB 4.39Å; V27-L44 HydrophobicContact CG1-CD1 3.48Å; V27-L44 VanDerWaalsContact CG1-CD1 3.48Å; V33-L44 HydrophobicContact CG2-CD1 4.27Å; V33-L44 HydrophobicContact CG2-CD2 4.21Å; E36-L44 HydrophobicContact CB-CD2 3.73Å; C37-L44 HydrophobicContact CB-CD2 4.04Å; N41-L44 HydrophobicContact CB-CB 4.13Å; N41-L44 PolarHBondContact O-N 2.64Å; N41-L44 VanDerWaalsContact O-N 3.13Å; H42-L44 PolarHBondContact O-N 3.37Å; L44-F47 WeakPolarHBondContact O-CB 3.38Å; L44-F47 PolarHBondContact O-N 3.48Å; L44-L48 HydrophobicContact CD1-CD1 3.85Å; L44-L48 HydrophobicContact CD1-CD2 4.45Å; L44-L48 HydrophobicContact CD1-CG 3.95Å; L44-L48 HydrophobicContact CG-CD1 3.88Å; L44-L48 HydrophobicContact CG-CG 4.4Å; L44-L48 VanDerWaalsContact O-CG 3.3Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.49Å |
| 45 | V | 94.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.024 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -46.6 | 177.4 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | N41 H42 F47 L48 L49 V89 Q91 | N41-V45 WeakPolarHBondContact O-CG2 3.21Å; N41-V45 PolarHBondContact O-N 2.92Å; H42-V45 PolarHBondContact O-N 3.05Å; V45-F47 PolarHBondContact O-N 2.91Å; V45-L48 PolarHBondContact O-N 2.92Å; V45-L49 HydrophobicContact CG1-CD1 3.66Å; V45-L49 HydrophobicContact CG1-CG 4.21Å; V45-L49 WeakPolarHBondContact O-CB 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.5Å; V45-L49 PolarHBondContact O-N 3.34Å; V45-V89 HydrophobicContact CG1-CG1 4.37Å; V45-V89 HydrophobicContact CG2-CG1 4.08Å; V45-Q91 HydrophobicContact CG1-CB 4.23Å; V45-Q91 HydrophobicContact CG1-CG 4.47Å |
| 46 | D | 94.4 | Very high | 94.4 | Very high | 113 Ų | 113 | 54.9 Ų | 54.9 | 60% | 0.604 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.8 | -27.2 | 175.7 | -75.1 | -11.1 | 0 | 0 | 0 | 113 | H42 | H42-D46 VanDerWaalsContact O-CB 3.28Å; H42-D46 WeakPolarHBondContact O-CB 3.27Å; H42-D46 PolarHBondContact O-N 3.21Å |
| 47 | F | 95.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.8 | -50.3 | 170.8 | 178.8 | -86.3 | 0 | 0 | 0 | 111.9 | L17 V22 L24 V27 K43 L44 V45 L49 R50 | L17-F47 HydrophobicContact CD1-CB 4.27Å; L17-F47 HydrophobicContact CD2-CB 3.8Å; L17-F47 HydrophobicContact CD2-CD1 4.18Å; L17-F47 HydrophobicContact CD2-CD2 3.26Å; L17-F47 HydrophobicContact CD2-CE2 3.81Å; L17-F47 HydrophobicContact CD2-CG 3.48Å; L17-F47 VanDerWaalsContact CD2-CG 3.48Å; L17-F47 HydrophobicContact CD2-CZ 4.47Å; V22-F47 HydrophobicContact CB-CE2 4.27Å; V22-F47 HydrophobicContact CG1-CE2 4.07Å; V22-F47 HydrophobicContact CG1-CZ 4.22Å; L24-F47 HydrophobicContact CB-CE1 4.49Å; L24-F47 HydrophobicContact CD1-CE1 4.13Å; V27-F47 HydrophobicContact CB-CE1 4.15Å; V27-F47 HydrophobicContact CG1-CD1 4.48Å; V27-F47 HydrophobicContact CG1-CE1 4.43Å; V27-F47 HydrophobicContact CG2-CD1 4.26Å; V27-F47 HydrophobicContact CG2-CE1 3.76Å; V27-F47 HydrophobicContact CG2-CE2 4.45Å; V27-F47 HydrophobicContact CG2-CZ 3.87Å; K43-F47 WeakPolarHBondContact O-CB 3.25Å; K43-F47 PolarHBondContact O-N 3.01Å; L44-F47 WeakPolarHBondContact O-CB 3.38Å; L44-F47 PolarHBondContact O-N 3.48Å; V45-F47 PolarHBondContact O-N 2.91Å; F47-L49 VanDerWaalsContact C-N 3.29Å; F47-L49 PolarHBondContact O-N 2.82Å; F47-R50 VanDerWaalsContact CD2-NH1 3.3Å; F47-R50 VanDerWaalsContact O-CB 3.25Å; F47-R50 WeakPolarHBondContact O-CB 3.42Å; F47-R50 VanDerWaalsContact O-CD 3.3Å; F47-R50 WeakPolarHBondContact O-CD 3.24Å; F47-R50 WeakPolarHBondContact O-CG 3.39Å; F47-R50 PolarHBondContact O-N 3.43Å |
| 48 | L | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.1 | -34.2 | -177.4 | -67.1 | 169.2 | 0 | 0 | 0 | 111.9 | L24 L44 V45 R50 C53 M54 L57 L84 I92 | L24-L48 HydrophobicContact CD1-CD2 3.75Å; L44-L48 HydrophobicContact CD1-CD1 3.85Å; L44-L48 HydrophobicContact CD1-CD2 4.45Å; L44-L48 HydrophobicContact CD1-CG 3.95Å; L44-L48 HydrophobicContact CG-CD1 3.88Å; L44-L48 HydrophobicContact CG-CG 4.4Å; L44-L48 VanDerWaalsContact O-CG 3.3Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.49Å; V45-L48 PolarHBondContact O-N 2.92Å; L48-R50 PolarHBondContact O-N 3.39Å; L48-C53 WeakPolarHBondContact O-CB 3.2Å; L48-M54 VanDerWaalsContact O-CG 3.32Å; L48-M54 WeakPolarHBondContact O-CG 3.42Å; L48-L57 HydrophobicContact CD2-CD1 4.23Å; L48-L84 HydrophobicContact CD1-CD2 4.09Å; L48-L84 HydrophobicContact CD2-CD1 4.21Å; L48-I92 HydrophobicContact CD1-CD1 4.13Å |
| 49 | L | 95.7 | Very high | 94.7 | Very high | 39 Ų | 39 | 50 Ų | 50 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -9.3 | 177.7 | -69.7 | 171 | 0 | 0 | 0 | 114.8 | V45 F47 Q91 I92 R95 | V45-L49 HydrophobicContact CG1-CD1 3.66Å; V45-L49 HydrophobicContact CG1-CG 4.21Å; V45-L49 WeakPolarHBondContact O-CB 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.5Å; V45-L49 PolarHBondContact O-N 3.34Å; F47-L49 VanDerWaalsContact C-N 3.29Å; F47-L49 PolarHBondContact O-N 2.82Å; L49-Q91 HydrophobicContact CD1-CB 3.85Å; L49-Q91 HydrophobicContact CD2-CB 4.21Å; L49-Q91 WeakPolarHBondContact CD2-O 3.14Å; L49-I92 HydrophobicContact CD2-CG1 4.29Å; L49-R95 HydrophobicContact CD2-CB 3.58Å; L49-R95 HydrophobicContact CD2-CG 3.85Å |
| 50 | R | 95.3 | Very high | 94.8 | Very high | 133 Ų | 133 | 48.9 Ų | 48.9 | 50% | 0.502 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -58.4 | 139 | 173.3 | -65.8 | 170.5 | -174.9 | -171.5 | 3.5 | 109.6 | F47 L48 Q52 C53 M54 | F47-R50 VanDerWaalsContact CD2-NH1 3.3Å; F47-R50 VanDerWaalsContact O-CB 3.25Å; F47-R50 WeakPolarHBondContact O-CB 3.42Å; F47-R50 VanDerWaalsContact O-CD 3.3Å; F47-R50 WeakPolarHBondContact O-CD 3.24Å; F47-R50 WeakPolarHBondContact O-CG 3.39Å; F47-R50 PolarHBondContact O-N 3.43Å; L48-R50 PolarHBondContact O-N 3.39Å; R50-Q52 VanDerWaalsContact C-N 3.31Å; R50-Q52 PolarHBondContact O-N 3.18Å; R50-C53 HydrophobicContact CB-CB 4.23Å; R50-C53 PolarHBondContact O-N 3.01Å; R50-M54 PolarHBondContact O-N 3.44Å |
| 51 | A | 93.9 | Very high | 94.9 | Very high | 65 Ų | 65 | 44.9 Ų | 44.9 | 54% | 0.537 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -55 | -43.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E55 | A51-E55 WeakPolarHBondContact O-CB 3.28Å; A51-E55 PolarHBondContact O-N 3.22Å |
| 52 | Q | 94 | Very high | 94.9 | Very high | 115 Ų | 115 | 43.7 Ų | 43.7 | 54% | 0.537 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63 | -45.2 | 176.1 | -170.6 | 64.9 | 57.7 | 0 | 0 | 111.8 | R50 E55 D56 | R50-Q52 VanDerWaalsContact C-N 3.31Å; R50-Q52 PolarHBondContact O-N 3.18Å; Q52-E55 PolarHBondContact O-N 3.35Å; Q52-D56 PolarHBondContact NE2-OD1 3.32Å; Q52-D56 WeakPolarHBondContact O-CB 3.37Å; Q52-D56 PolarHBondContact O-N 3.03Å |
| 53 | C | 95.5 | Very high | 94.9 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 7% | 0.068 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.3 | -45.5 | -179.2 | -59 | 0 | 0 | 0 | 0 | 111.7 | L24 L48 R50 E55 D56 L57 | L24-C53 HydrophobicContact CD1-CB 4.44Å; L48-C53 WeakPolarHBondContact O-CB 3.2Å; R50-C53 HydrophobicContact CB-CB 4.23Å; R50-C53 PolarHBondContact O-N 3.01Å; C53-E55 VanDerWaalsContact C-N 3.33Å; C53-E55 PolarHBondContact O-N 2.92Å; C53-D56 PolarHBondContact O-N 2.84Å; C53-L57 WeakPolarHBondContact O-CB 3.25Å; C53-L57 WeakPolarHBondContact O-CG 3.45Å; C53-L57 PolarHBondContact O-N 2.98Å |
| 54 | M | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 172.9 | -68.5 | -61.8 | -63.3 | 0 | 0 | 112.4 | L48 R50 L57 V58 L85 I92 R95 L96 L102 | L48-M54 VanDerWaalsContact O-CG 3.32Å; L48-M54 WeakPolarHBondContact O-CG 3.42Å; R50-M54 PolarHBondContact O-N 3.44Å; M54-L57 HydrophobicContact SD-CD1 4.41Å; M54-V58 WeakPolarHBondContact O-CG2 3.23Å; M54-V58 PolarHBondContact O-N 3.01Å; M54-V58 VanDerWaalsContact O-N 3.15Å; M54-L85 HydrophobicContact CE-CD2 3.99Å; M54-I92 HydrophobicContact CE-CG2 4.25Å; M54-I92 HydrophobicContact SD-CG2 4.4Å; M54-R95 HydrophobicContact CE-CB 4.28Å; M54-R95 HydrophobicContact CE-CG 4.15Å; M54-R95 HydrophobicContact CG-CG 4.01Å; M54-R95 HydrophobicContact SD-CG 4.36Å; M54-L96 HydrophobicContact CE-CB 3.9Å; M54-L96 HydrophobicContact CE-CD1 4.49Å; M54-L102 HydrophobicContact CB-CD1 3.68Å; M54-L102 HydrophobicContact CB-CD2 4.1Å; M54-L102 HydrophobicContact CE-CD1 4.07Å; M54-L102 HydrophobicContact CG-CD1 4.34Å |
| 55 | E | 96.1 | Very high | 93.9 | Very high | 81 Ų | 81 | 47.2 Ų | 47.2 | 38% | 0.379 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.3 | -41.6 | 177.4 | -179.8 | 168.1 | -177 | 0 | 0 | 112 | A51 Q52 C53 V58 T59 L102 K105 | A51-E55 WeakPolarHBondContact O-CB 3.28Å; A51-E55 PolarHBondContact O-N 3.22Å; Q52-E55 PolarHBondContact O-N 3.35Å; C53-E55 VanDerWaalsContact C-N 3.33Å; C53-E55 PolarHBondContact O-N 2.92Å; E55-V58 PolarHBondContact O-N 3.34Å; E55-T59 WeakPolarHBondContact O-CB 3.2Å; E55-T59 PolarHBondContact O-N 3.22Å; E55-T59 PolarHBondContact O-OG1 3.2Å; E55-L102 HydrophobicContact CB-CD2 4.17Å; E55-K105 HydrophobicContact CG-CD 3.87Å; E55-K105 IonicContact OE1-NZ 3.22Å; E55-K105 PolarHBondContact OE1-NZ 2.62Å |
| 56 | D | 95.1 | Very high | 93.2 | Very high | 50 Ų | 50 | 53 Ų | 53 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.1 | -43.3 | 178.8 | -66 | -18.9 | 0 | 0 | 0 | 111.3 | L24 Q52 C53 V58 T59 F60 | L24-D56 HydrophobicContact CD2-CB 3.57Å; Q52-D56 PolarHBondContact NE2-OD1 3.32Å; Q52-D56 WeakPolarHBondContact O-CB 3.37Å; Q52-D56 PolarHBondContact O-N 3.03Å; C53-D56 PolarHBondContact O-N 2.84Å; D56-V58 VanDerWaalsContact C-N 3.33Å; D56-V58 PolarHBondContact O-N 3.37Å; D56-T59 WeakPolarHBondContact O-CA 3.27Å; D56-T59 VanDerWaalsContact O-CB 3.27Å; D56-T59 WeakPolarHBondContact O-CB 3.42Å; D56-T59 PolarHBondContact O-N 3.18Å; D56-F60 HydrophobicContact CB-CE2 4.45Å; D56-F60 WeakPolarHBondContact O-CD2 3.12Å; D56-F60 PolarHBondContact O-N 3.29Å |
| 57 | L | 96.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.1 | -46.3 | 172.7 | -72.1 | 170.5 | 0 | 0 | 0 | 111.6 | L24 M28 L48 C53 M54 T59 F60 S81 L84 L85 | L24-L57 HydrophobicContact CD1-CD2 4.28Å; L24-L57 HydrophobicContact CD1-CG 4.46Å; L24-L57 HydrophobicContact CD2-CD2 4.04Å; L24-L57 HydrophobicContact CD2-CG 3.88Å; M28-L57 HydrophobicContact SD-CD2 4.07Å; L48-L57 HydrophobicContact CD2-CD1 4.23Å; C53-L57 WeakPolarHBondContact O-CB 3.25Å; C53-L57 WeakPolarHBondContact O-CG 3.45Å; C53-L57 PolarHBondContact O-N 2.98Å; M54-L57 HydrophobicContact SD-CD1 4.41Å; L57-T59 VanDerWaalsContact C-N 3.31Å; L57-T59 PolarHBondContact O-N 3.03Å; L57-F60 PolarHBondContact O-N 3.02Å; L57-S81 WeakPolarHBondContact CD2-OG 3.36Å; L57-L84 HydrophobicContact CD2-CB 4.43Å; L57-L84 HydrophobicContact CD2-CD1 3.87Å; L57-L85 HydrophobicContact CB-CD1 3.92Å; L57-L85 HydrophobicContact CB-CD2 3.97Å; L57-L85 HydrophobicContact CB-CG 4.02Å; L57-L85 HydrophobicContact CD1-CD2 4.05Å; L57-L85 HydrophobicContact CD1-CG 4.49Å |
| 58 | V | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.6 | -32.2 | 175.7 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | M54 E55 D56 I61 T62 L85 L96 K105 L106 | M54-V58 WeakPolarHBondContact O-CG2 3.23Å; M54-V58 PolarHBondContact O-N 3.01Å; M54-V58 VanDerWaalsContact O-N 3.15Å; E55-V58 PolarHBondContact O-N 3.34Å; D56-V58 VanDerWaalsContact C-N 3.33Å; D56-V58 PolarHBondContact O-N 3.37Å; V58-I61 VanDerWaalsContact O-CG1 3.29Å; V58-I61 WeakPolarHBondContact O-CG1 3.25Å; V58-I61 PolarHBondContact O-N 3.28Å; V58-T62 HydrophobicContact CG1-CG2 4.39Å; V58-T62 WeakPolarHBondContact O-CB 3.3Å; V58-T62 WeakPolarHBondContact O-CG2 3.47Å; V58-T62 PolarHBondContact O-N 3.22Å; V58-T62 PolarHBondContact O-OG1 3.43Å; V58-L85 HydrophobicContact CG2-CD1 4.12Å; V58-L96 HydrophobicContact CG2-CD1 3.69Å; V58-K105 HydrophobicContact CG1-CB 4.03Å; V58-K105 HydrophobicContact CG1-CD 4.4Å; V58-K105 HydrophobicContact CG1-CG 4.1Å; V58-L106 HydrophobicContact CG1-CB 4.2Å |
| 59 | T | 95.4 | Very high | 90.5 | Very high | 28 Ų | 28 | 61.7 Ų | 61.7 | 17% | 0.172 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 175.9 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | E55 D56 L57 I61 T62 Q63 K105 | E55-T59 WeakPolarHBondContact O-CB 3.2Å; E55-T59 PolarHBondContact O-N 3.22Å; E55-T59 PolarHBondContact O-OG1 3.2Å; D56-T59 WeakPolarHBondContact O-CA 3.27Å; D56-T59 VanDerWaalsContact O-CB 3.27Å; D56-T59 WeakPolarHBondContact O-CB 3.42Å; D56-T59 PolarHBondContact O-N 3.18Å; L57-T59 VanDerWaalsContact C-N 3.31Å; L57-T59 PolarHBondContact O-N 3.03Å; T59-I61 PolarHBondContact O-N 2.87Å; T59-T62 PolarHBondContact O-N 3.23Å; T59-T62 PolarHBondContact O-OG1 3.47Å; T59-Q63 HydrophobicContact CG2-CB 4.28Å; T59-Q63 HydrophobicContact CG2-CG 4.05Å; T59-Q63 PolarHBondContact O-N 3.13Å; T59-K105 WeakPolarHBondContact OG1-CE 3.27Å; T59-K105 PolarHBondContact OG1-NZ 3.3Å |
| 60 | F | 94.3 | Very high | 89.8 | Confident | 53 Ų | 53 | 65 Ų | 65 | 23% | 0.232 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.4 | -30.6 | -179.8 | -73 | -59.9 | 0 | 0 | 0 | 113.5 | L24 T25 M28 D56 L57 Y77 P78 S81 | L24-F60 HydrophobicContact CD2-CE2 4.15Å; T25-F60 HydrophobicContact CG2-CZ 4.07Å; M28-F60 HydrophobicContact CE-CD2 4.46Å; M28-F60 HydrophobicContact SD-CD2 4.41Å; M28-F60 HydrophobicContact SD-CE2 4.19Å; D56-F60 HydrophobicContact CB-CE2 4.45Å; D56-F60 WeakPolarHBondContact O-CD2 3.12Å; D56-F60 PolarHBondContact O-N 3.29Å; L57-F60 PolarHBondContact O-N 3.02Å; F60-Y77 HydrophobicContact CE1-CD2 4.04Å; F60-Y77 HydrophobicContact CE1-CG 4.19Å; F60-Y77 HydrophobicContact CZ-CD2 4.41Å; F60-Y77 HydrophobicContact CZ-CG 4.38Å; F60-P78 VanDerWaalsContact O-CB 3.25Å; F60-P78 WeakPolarHBondContact O-CB 3.32Å; F60-P78 VanDerWaalsContact O-CG 3.27Å; F60-P78 WeakPolarHBondContact O-CG 3.13Å; F60-S81 WeakPolarHBondContact CB-OG 3.42Å; F60-S81 WeakPolarHBondContact CD2-OG 3.36Å |
| 61 | I | 95.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -90.5 | -5.8 | 177.3 | 64.8 | 168.2 | 0 | 0 | 0 | 114.4 | V58 T59 P78 C82 L85 L106 F123 V127 | V58-I61 VanDerWaalsContact O-CG1 3.29Å; V58-I61 WeakPolarHBondContact O-CG1 3.25Å; V58-I61 PolarHBondContact O-N 3.28Å; T59-I61 PolarHBondContact O-N 2.87Å; I61-P78 WeakPolarHBondContact CG2-O 3.43Å; I61-C82 HydrophobicContact CG2-CB 4.02Å; I61-L85 HydrophobicContact CD1-CD1 3.66Å; I61-L85 HydrophobicContact CG1-CD1 4.32Å; I61-L106 HydrophobicContact CD1-CD1 3.87Å; I61-F123 HydrophobicContact CB-CB 4.05Å; I61-F123 HydrophobicContact CG2-CB 4.08Å; I61-F123 HydrophobicContact CG2-CD2 4.49Å; I61-V127 HydrophobicContact CD1-CB 4.24Å; I61-V127 HydrophobicContact CD1-CG1 4.35Å; I61-V127 HydrophobicContact CD1-CG2 3.77Å |
| 62 | T | 94 | Very high | 88.1 | Confident | 7 Ų | 7 | 69.1 Ų | 69.1 | 4% | 0.043 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -123.5 | -12.6 | -175.5 | 56.3 | 0 | 0 | 0 | 0 | 115.5 | V58 T59 L106 F109 | V58-T62 HydrophobicContact CG1-CG2 4.39Å; V58-T62 WeakPolarHBondContact O-CB 3.3Å; V58-T62 WeakPolarHBondContact O-CG2 3.47Å; V58-T62 PolarHBondContact O-N 3.22Å; V58-T62 PolarHBondContact O-OG1 3.43Å; T59-T62 PolarHBondContact O-N 3.23Å; T59-T62 PolarHBondContact O-OG1 3.47Å; T62-L106 HydrophobicContact CG2-CD1 4.15Å; T62-F109 HydrophobicContact CG2-CB 3.84Å; T62-F109 HydrophobicContact CG2-CG 4.41Å; T62-F109 WeakPolarHBondContact O-CD2 3.43Å |
| 63 | Q | 90.9 | Very high | 87.4 | Confident | 112 Ų | 112 | 65.8 Ų | 65.8 | 52% | 0.523 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -120.6 | 137.5 | 178.7 | -60.9 | -169.7 | -1.5 | 0 | 0 | 110.6 | T59 | T59-Q63 HydrophobicContact CG2-CB 4.28Å; T59-Q63 HydrophobicContact CG2-CG 4.05Å; T59-Q63 PolarHBondContact O-N 3.13Å |
| 64 | E | 85.7 | Confident | 86.6 | Confident | 130 Ų | 130 | 67.4 Ų | 67.4 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 130.6 | 175.6 | -65.5 | -158.8 | 127.7 | 0 | 0 | 110.7 | N66 N117 L120 | E64-N66 PolarHBondContact O-N 2.95Å; E64-N117 HydrophobicContact CG-CB 4.46Å; E64-N117 WeakPolarHBondContact OE1-CB 3.4Å; E64-N117 PolarHBondContact OE1-ND2 3.3Å; E64-L120 HydrophobicContact CG-CD1 3.98Å |
| 65 | P | 80.4 | Confident | 86 | Confident | 46 Ų | 46 | 73.1 Ų | 73.1 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 136.2 | 173 | -23.7 | 34.2 | 0 | 0 | 0 | 111.8 | A67 K74 P78 | P65-A67 PolarHBondContact O-N 3.41Å; P65-K74 HydrophobicContact CB-CB 4.1Å; P65-K74 HydrophobicContact CB-CD 4.25Å; P65-K74 HydrophobicContact CB-CG 3.89Å; P65-K74 HydrophobicContact CG-CB 4.13Å; P65-K74 HydrophobicContact CG-CG 4.47Å; P65-P78 HydrophobicContact CG-CG 4.39Å |
| 66 | N | 80.2 | Confident | 85.8 | Confident | 126 Ų | 126 | 72.8 Ų | 72.8 | 67% | 0.674 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -47.5 | 139.9 | 178.9 | -72.4 | -26 | 0 | 0 | 0 | 112.4 | E64 D68 V69 K74 | E64-N66 PolarHBondContact O-N 2.95Å; N66-D68 PolarHBondContact O-N 2.86Å; N66-V69 HydrophobicContact CB-CG2 4.21Å; N66-V69 WeakPolarHBondContact O-CB 3.28Å; N66-V69 WeakPolarHBondContact O-CG2 3.28Å; N66-V69 PolarHBondContact O-N 2.87Å; N66-K74 WeakPolarHBondContact O-CE 3.43Å |
| 67 | A | 74.3 | Confident | 85.6 | Confident | 86 Ų | 86 | 72.2 Ų | 72.2 | 71% | 0.711 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -33.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P65 V69 K74 | P65-A67 PolarHBondContact O-N 3.41Å; A67-V69 VanDerWaalsContact C-N 3.29Å; A67-V69 PolarHBondContact O-N 2.76Å; A67-K74 PolarHBondContact O-NZ 3.06Å |
| 68 | D | 76.1 | Confident | 85.5 | Confident | 160 Ų | 160 | 72.2 Ų | 72.2 | 86% | 0.856 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -8.4 | -177.9 | -50.6 | -58.3 | 0 | 0 | 0 | 115 | N66 | N66-D68 PolarHBondContact O-N 2.86Š|
| 69 | V | 79 | Confident | 85.4 | Confident | 54 Ų | 54 | 76.1 Ų | 76.1 | 33% | 0.327 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -77.3 | 143.3 | 179.9 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | N66 A67 E71 V73 K74 | N66-V69 HydrophobicContact CB-CG2 4.21Å; N66-V69 WeakPolarHBondContact O-CB 3.28Å; N66-V69 WeakPolarHBondContact O-CG2 3.28Å; N66-V69 PolarHBondContact O-N 2.87Å; A67-V69 VanDerWaalsContact C-N 3.29Å; A67-V69 PolarHBondContact O-N 2.76Å; V69-E71 PolarHBondContact O-N 2.8Å; V69-V73 HydrophobicContact CG1-CB 3.88Å; V69-V73 HydrophobicContact CG1-CG1 3.88Å; V69-K74 HydrophobicContact CB-CG 4.06Å; V69-K74 HydrophobicContact CG1-CG 4.08Å; V69-K74 WeakPolarHBondContact O-CE 3.14Å; V69-K74 PolarHBondContact O-NZ 2.64Å |
| 70 | E | 80.6 | Confident | 85.4 | Confident | 108 Ų | 108 | 75.8 Ų | 75.8 | 51% | 0.505 | 38% | 0.382 | S | S | . | . | trans | -56.4 | 134 | 174.9 | -176.2 | -177.5 | 169 | 0 | 0 | 111 | K72 V73 K74 | E70-K72 VanDerWaalsContact C-N 3.29Å; E70-K72 HydrophobicContact CG-CB 4.49Å; E70-K72 PolarHBondContact O-N 2.82Å; E70-K72 IonicContact OE1-NZ 3.92Å; E70-K72 PolarHBondContact OE1-NZ 2.91Å; E70-V73 HydrophobicContact CB-CB 4.47Å; E70-V73 HydrophobicContact CB-CG2 4.13Å; E70-V73 CarbonylContact O-C 3.6Å; E70-V73 WeakPolarHBondContact O-CA 3.42Å; E70-V73 WeakPolarHBondContact O-CB 3.42Å; E70-V73 PolarHBondContact O-N 2.81Å; E70-K74 PolarHBondContact O-N 3.5Å | ||
| 71 | E | 76.3 | Confident | 85.5 | Confident | 130 Ų | 130 | 73.2 Ų | 73.2 | 61% | 0.607 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -55.4 | -38.2 | -175.2 | -171.7 | 169.3 | -155 | 0 | 0 | 113.8 | V69 V73 K74 Y75 | V69-E71 PolarHBondContact O-N 2.8Å; E71-V73 VanDerWaalsContact C-N 3.3Å; E71-V73 PolarHBondContact O-N 3.28Å; E71-K74 WeakPolarHBondContact O-CB 3.38Å; E71-K74 PolarHBondContact O-N 3.36Å; E71-Y75 HydrophobicContact CG-CD2 4.22Å; E71-Y75 HydrophobicContact CG-CE2 3.64Å; E71-Y75 WeakPolarHBondContact O-CD2 3.22Å; E71-Y75 PolarHBondContact O-N 3.43Å |
| 72 | K | 77.1 | Confident | 85.6 | Confident | 155 Ų | 155 | 73.3 Ų | 73.3 | 67% | 0.674 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.2 | -41.8 | 172.9 | -58.2 | -167.8 | -161.1 | 102.8 | 0 | 112.3 | E70 Y75 K76 | E70-K72 VanDerWaalsContact C-N 3.29Å; E70-K72 HydrophobicContact CG-CB 4.49Å; E70-K72 PolarHBondContact O-N 2.82Å; E70-K72 IonicContact OE1-NZ 3.92Å; E70-K72 PolarHBondContact OE1-NZ 2.91Å; K72-Y75 PolarHBondContact O-N 3.05Å; K72-K76 WeakPolarHBondContact O-CB 3.45Å; K72-K76 PolarHBondContact O-N 3.19Å |
| 73 | V | 79.1 | Confident | 85.7 | Confident | 44 Ų | 44 | 75.4 Ų | 75.4 | 27% | 0.267 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -73.7 | -34.9 | -178.6 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | V69 E70 E71 Y75 K76 Y77 | V69-V73 HydrophobicContact CG1-CB 3.88Å; V69-V73 HydrophobicContact CG1-CG1 3.88Å; E70-V73 HydrophobicContact CB-CB 4.47Å; E70-V73 HydrophobicContact CB-CG2 4.13Å; E70-V73 CarbonylContact O-C 3.6Å; E70-V73 WeakPolarHBondContact O-CA 3.42Å; E70-V73 WeakPolarHBondContact O-CB 3.42Å; E70-V73 PolarHBondContact O-N 2.81Å; E71-V73 VanDerWaalsContact C-N 3.3Å; E71-V73 PolarHBondContact O-N 3.28Å; V73-Y75 PolarHBondContact O-N 3.42Å; V73-K76 PolarHBondContact O-N 2.72Å; V73-Y77 HydrophobicContact CG1-CD2 3.85Å; V73-Y77 HydrophobicContact CG1-CE2 3.34Å |
| 74 | K | 79.8 | Confident | 86 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -54.6 | -34.9 | 171.4 | -64.4 | -158.9 | 174.2 | 85.1 | 0 | 112.4 | P65 N66 A67 V69 E70 E71 P78 | P65-K74 HydrophobicContact CB-CB 4.1Å; P65-K74 HydrophobicContact CB-CD 4.25Å; P65-K74 HydrophobicContact CB-CG 3.89Å; P65-K74 HydrophobicContact CG-CB 4.13Å; P65-K74 HydrophobicContact CG-CG 4.47Å; N66-K74 WeakPolarHBondContact O-CE 3.43Å; A67-K74 PolarHBondContact O-NZ 3.06Å; V69-K74 HydrophobicContact CB-CG 4.06Å; V69-K74 HydrophobicContact CG1-CG 4.08Å; V69-K74 WeakPolarHBondContact O-CE 3.14Å; V69-K74 PolarHBondContact O-NZ 2.64Å; E70-K74 PolarHBondContact O-N 3.5Å; E71-K74 WeakPolarHBondContact O-CB 3.38Å; E71-K74 PolarHBondContact O-N 3.36Å; K74-P78 WeakPolarHBondContact O-CD 3.43Å; K74-P78 VanDerWaalsContact O-CG 3.25Å; K74-P78 WeakPolarHBondContact O-CG 3.5Å |
| 75 | Y | 83.6 | Confident | 86.5 | Confident | 120 Ų | 120 | 64 Ų | 64 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -98 | -26.1 | -179.4 | -57.5 | -52.6 | 0 | 0 | 0 | 114.4 | E71 K72 V73 N79 L119 | E71-Y75 HydrophobicContact CG-CD2 4.22Å; E71-Y75 HydrophobicContact CG-CE2 3.64Å; E71-Y75 WeakPolarHBondContact O-CD2 3.22Å; E71-Y75 PolarHBondContact O-N 3.43Å; K72-Y75 PolarHBondContact O-N 3.05Å; V73-Y75 PolarHBondContact O-N 3.42Å; Y75-N79 VanDerWaalsContact O-CB 3.28Å; Y75-N79 WeakPolarHBondContact O-CB 3.26Å; Y75-N79 PolarHBondContact O-N 3.16Å; Y75-L119 HydrophobicContact CD1-CD2 3.45Å; Y75-L119 VanDerWaalsContact CD1-CD2 3.45Å; Y75-L119 HydrophobicContact CE1-CD2 3.85Å; Y75-L119 HydrophobicContact CG-CD2 4.44Å |
| 76 | K | 90.9 | Very high | 87.2 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 32% | 0.317 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58 | -60.3 | 178.9 | -175.5 | 178.8 | -177.1 | -179.5 | 0 | 111.9 | D29 K72 V73 N79 I80 | D29-K76 PolarHBondContact O-NZ 3.26Å; D29-K76 WeakPolarHBondContact OD1-CE 3.38Å; D29-K76 IonicContact OD1-NZ 2.72Å; D29-K76 PolarHBondContact OD1-NZ 3.36Å; K72-K76 WeakPolarHBondContact O-CB 3.45Å; K72-K76 PolarHBondContact O-N 3.19Å; V73-K76 PolarHBondContact O-N 2.72Å; K76-N79 PolarHBondContact O-N 3.45Å; K76-I80 HydrophobicContact CD-CD1 4.26Å; K76-I80 HydrophobicContact CG-CD1 3.66Å; K76-I80 HydrophobicContact CG-CG1 4.46Å; K76-I80 WeakPolarHBondContact O-CG1 3.3Å; K76-I80 PolarHBondContact O-N 2.98Å |
| 77 | Y | 92.4 | Very high | 87.9 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.3 | -44.2 | -171.5 | -56.1 | -49 | 0 | 0 | 0 | 113.7 | T25 M28 D29 F60 V73 N79 I80 S81 | T25-Y77 HydrophobicContact CG2-CE1 4.18Å; T25-Y77 HydrophobicContact CG2-CE2 4.08Å; M28-Y77 HydrophobicContact CB-CD1 4.29Å; M28-Y77 HydrophobicContact CE-CD1 4.01Å; M28-Y77 HydrophobicContact CE-CG 4.41Å; M28-Y77 VanDerWaalsContact CE-O 3.23Å; M28-Y77 WeakPolarHBondContact CE-O 3.43Å; D29-Y77 PolarHBondContact OD2-OH 2.69Å; F60-Y77 HydrophobicContact CE1-CD2 4.04Å; F60-Y77 HydrophobicContact CE1-CG 4.19Å; F60-Y77 HydrophobicContact CZ-CD2 4.41Å; F60-Y77 HydrophobicContact CZ-CG 4.38Å; V73-Y77 HydrophobicContact CG1-CD2 3.85Å; V73-Y77 HydrophobicContact CG1-CE2 3.34Å; Y77-N79 VanDerWaalsContact C-N 3.29Å; Y77-N79 PolarHBondContact O-N 3.32Å; Y77-I80 PolarHBondContact O-N 3.23Å; Y77-S81 VanDerWaalsContact O-CB 3.27Å; Y77-S81 WeakPolarHBondContact O-CB 3.48Å; Y77-S81 PolarHBondContact O-N 2.86Å; Y77-S81 PolarHBondContact O-OG 3.21Å |
| 78 | P | 93.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.9 | -38 | 175.5 | -28.2 | 39.1 | 0 | 0 | 0 | 113.4 | F60 I61 P65 K74 C82 L120 F123 | F60-P78 VanDerWaalsContact O-CB 3.25Å; F60-P78 WeakPolarHBondContact O-CB 3.32Å; F60-P78 VanDerWaalsContact O-CG 3.27Å; F60-P78 WeakPolarHBondContact O-CG 3.13Å; I61-P78 WeakPolarHBondContact CG2-O 3.43Å; P65-P78 HydrophobicContact CG-CG 4.39Å; K74-P78 WeakPolarHBondContact O-CD 3.43Å; K74-P78 VanDerWaalsContact O-CG 3.25Å; K74-P78 WeakPolarHBondContact O-CG 3.5Å; P78-C82 WeakPolarHBondContact O-CB 3.34Å; P78-C82 PolarHBondContact O-N 2.92Å; P78-L120 HydrophobicContact CB-CD2 3.96Å; P78-L120 HydrophobicContact CG-CD2 4.38Å; P78-F123 HydrophobicContact CB-CD2 4Å; P78-F123 HydrophobicContact CB-CE2 3.67Å |
| 79 | N | 94.3 | Very high | 89.6 | Confident | 81 Ų | 81 | 50.8 Ų | 50.8 | 43% | 0.433 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.5 | -48.7 | 178 | -171.4 | 31.6 | 0 | 0 | 0 | 112.1 | Y75 K76 Y77 S81 C82 E83 F123 | Y75-N79 VanDerWaalsContact O-CB 3.28Å; Y75-N79 WeakPolarHBondContact O-CB 3.26Å; Y75-N79 PolarHBondContact O-N 3.16Å; K76-N79 PolarHBondContact O-N 3.45Å; Y77-N79 VanDerWaalsContact C-N 3.29Å; Y77-N79 PolarHBondContact O-N 3.32Å; N79-S81 PolarHBondContact O-N 3.36Å; N79-C82 PolarHBondContact O-N 3.17Å; N79-E83 PolarHBondContact O-N 3.11Å; N79-F123 HydrophobicContact CB-CZ 3.92Å |
| 80 | I | 95.9 | Very high | 90.2 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 11% | 0.108 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 177.6 | -65 | 176.8 | 0 | 0 | 0 | 110.6 | M28 V33 L34 K76 Y77 C82 E83 L84 | M28-I80 HydrophobicContact CB-CG2 4.18Å; M28-I80 HydrophobicContact CE-CB 3.74Å; M28-I80 HydrophobicContact CE-CG2 3.72Å; M28-I80 HydrophobicContact CG-CG2 4.04Å; M28-I80 VanDerWaalsContact O-CD1 3.3Å; M28-I80 WeakPolarHBondContact O-CD1 3.3Å; V33-I80 HydrophobicContact CG1-CG2 4.17Å; L34-I80 HydrophobicContact CD2-CG2 4.12Å; K76-I80 HydrophobicContact CD-CD1 4.26Å; K76-I80 HydrophobicContact CG-CD1 3.66Å; K76-I80 HydrophobicContact CG-CG1 4.46Å; K76-I80 WeakPolarHBondContact O-CG1 3.3Å; K76-I80 PolarHBondContact O-N 2.98Å; Y77-I80 PolarHBondContact O-N 3.23Å; I80-C82 VanDerWaalsContact C-N 3.31Å; I80-C82 PolarHBondContact O-N 3.28Å; I80-E83 PolarHBondContact O-N 3.17Å; I80-L84 HydrophobicContact CG2-CD1 3.94Å; I80-L84 HydrophobicContact CG2-CG 4.33Å; I80-L84 WeakPolarHBondContact O-CB 3.27Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 3.15Å |
| 81 | S | 96.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 174.5 | -68.3 | 0 | 0 | 0 | 0 | 111.9 | M28 L57 F60 Y77 N79 L84 L85 | M28-S81 WeakPolarHBondContact CE-OG 3.37Å; L57-S81 WeakPolarHBondContact CD2-OG 3.36Å; F60-S81 WeakPolarHBondContact CB-OG 3.42Å; F60-S81 WeakPolarHBondContact CD2-OG 3.36Å; Y77-S81 VanDerWaalsContact O-CB 3.27Å; Y77-S81 WeakPolarHBondContact O-CB 3.48Å; Y77-S81 PolarHBondContact O-N 2.86Å; Y77-S81 PolarHBondContact O-OG 3.21Å; N79-S81 PolarHBondContact O-N 3.36Å; S81-L84 PolarHBondContact O-N 2.9Å; S81-L85 WeakPolarHBondContact O-CB 3.46Å; S81-L85 VanDerWaalsContact O-CG 3.23Å; S81-L85 WeakPolarHBondContact O-CG 3.29Å; S81-L85 PolarHBondContact O-N 3.48Å |
| 82 | C | 96.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 174.1 | -168.7 | 0 | 0 | 0 | 0 | 111.3 | I61 P78 N79 I80 L84 L85 T86 F123 | I61-C82 HydrophobicContact CG2-CB 4.02Å; P78-C82 WeakPolarHBondContact O-CB 3.34Å; P78-C82 PolarHBondContact O-N 2.92Å; N79-C82 PolarHBondContact O-N 3.17Å; I80-C82 VanDerWaalsContact C-N 3.31Å; I80-C82 PolarHBondContact O-N 3.28Å; C82-L84 VanDerWaalsContact C-N 3.31Å; C82-L84 PolarHBondContact O-N 2.74Å; C82-L85 PolarHBondContact O-N 3.28Å; C82-T86 VanDerWaalsContact O-CB 3.27Å; C82-T86 WeakPolarHBondContact O-CB 3.23Å; C82-T86 VanDerWaalsContact O-CG2 3.3Å; C82-T86 WeakPolarHBondContact O-CG2 3.35Å; C82-T86 PolarHBondContact O-N 2.75Å; C82-T86 PolarHBondContact O-OG1 2.89Å; C82-F123 HydrophobicContact CB-CB 3.94Å; C82-F123 HydrophobicContact CB-CD1 3.51Å; C82-F123 HydrophobicContact CB-CD2 4.42Å; C82-F123 HydrophobicContact CB-CE1 4.05Å; C82-F123 HydrophobicContact CB-CG 3.72Å; C82-F123 WeakPolarHBondContact SG-CD1 3.27Å |
| 83 | E | 96.7 | Very high | 92.5 | Very high | 51 Ų | 51 | 35.7 Ų | 35.7 | 24% | 0.238 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -34.4 | 178 | -80.4 | -65 | 119.3 | 0 | 0 | 113.5 | L34 K38 N79 I80 S87 K126 | L34-E83 HydrophobicContact CD1-CB 3.82Å; L34-E83 HydrophobicContact CD1-CG 4.12Å; L34-E83 HydrophobicContact CD2-CB 3.64Å; L34-E83 HydrophobicContact CG-CB 4.39Å; K38-E83 IonicContact NZ-OE2 3.82Å; K38-E83 PolarHBondContact NZ-OE2 3.49Å; N79-E83 PolarHBondContact O-N 3.11Å; I80-E83 PolarHBondContact O-N 3.17Å; E83-S87 PolarHBondContact O-N 3.09Å; E83-S87 VanDerWaalsContact O-N 3.15Å; E83-K126 IonicContact OE1-NZ 3.85Å; E83-K126 PolarHBondContact OE1-NZ 3.31Å |
| 84 | L | 96.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.3 | -50.4 | 173.3 | -70.1 | 171.4 | 0 | 0 | 0 | 111.7 | M28 V33 L34 C37 L48 L57 I80 S81 C82 T86 S87 | M28-L84 HydrophobicContact CG-CD1 4.26Å; V33-L84 HydrophobicContact CG2-CD2 4.47Å; L34-L84 HydrophobicContact CD2-CD2 3.78Å; L34-L84 HydrophobicContact CD2-CG 3.79Å; C37-L84 HydrophobicContact CB-CD2 3.63Å; L48-L84 HydrophobicContact CD1-CD2 4.09Å; L48-L84 HydrophobicContact CD2-CD1 4.21Å; L57-L84 HydrophobicContact CD2-CB 4.43Å; L57-L84 HydrophobicContact CD2-CD1 3.87Å; I80-L84 HydrophobicContact CG2-CD1 3.94Å; I80-L84 HydrophobicContact CG2-CG 4.33Å; I80-L84 WeakPolarHBondContact O-CB 3.27Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 3.15Å; S81-L84 PolarHBondContact O-N 2.9Å; C82-L84 VanDerWaalsContact C-N 3.31Å; C82-L84 PolarHBondContact O-N 2.74Å; L84-T86 PolarHBondContact O-N 2.78Å; L84-S87 VanDerWaalsContact O-CB 3.29Å; L84-S87 WeakPolarHBondContact O-CB 3.42Å; L84-S87 PolarHBondContact O-N 3.36Å; L84-S87 PolarHBondContact O-OG 3.41Å |
| 85 | L | 96.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.2 | -19.8 | 179.3 | -66 | 172.2 | 0 | 0 | 0 | 113.4 | M54 L57 V58 I61 S81 C82 I92 L96 V127 | M54-L85 HydrophobicContact CE-CD2 3.99Å; L57-L85 HydrophobicContact CB-CD1 3.92Å; L57-L85 HydrophobicContact CB-CD2 3.97Å; L57-L85 HydrophobicContact CB-CG 4.02Å; L57-L85 HydrophobicContact CD1-CD2 4.05Å; L57-L85 HydrophobicContact CD1-CG 4.49Å; V58-L85 HydrophobicContact CG2-CD1 4.12Å; I61-L85 HydrophobicContact CD1-CD1 3.66Å; I61-L85 HydrophobicContact CG1-CD1 4.32Å; S81-L85 WeakPolarHBondContact O-CB 3.46Å; S81-L85 VanDerWaalsContact O-CG 3.23Å; S81-L85 WeakPolarHBondContact O-CG 3.29Å; S81-L85 PolarHBondContact O-N 3.48Å; C82-L85 PolarHBondContact O-N 3.28Å; L85-I92 HydrophobicContact CD2-CG2 4.31Å; L85-L96 HydrophobicContact CB-CD2 4.47Å; L85-L96 HydrophobicContact CD2-CD2 4.17Å; L85-V127 HydrophobicContact CB-CG2 4.01Å |
| 86 | T | 95.3 | Very high | 94.4 | Very high | 16 Ų | 16 | 32 Ų | 32 | 10% | 0.098 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 9.2 | 176.4 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | C82 L84 K126 V127 I130 | C82-T86 VanDerWaalsContact O-CB 3.27Å; C82-T86 WeakPolarHBondContact O-CB 3.23Å; C82-T86 VanDerWaalsContact O-CG2 3.3Å; C82-T86 WeakPolarHBondContact O-CG2 3.35Å; C82-T86 PolarHBondContact O-N 2.75Å; C82-T86 PolarHBondContact O-OG1 2.89Å; L84-T86 PolarHBondContact O-N 2.78Å; T86-K126 HydrophobicContact CG2-CB 4.44Å; T86-K126 HydrophobicContact CG2-CD 3.92Å; T86-K126 HydrophobicContact CG2-CG 3.95Å; T86-K126 WeakPolarHBondContact OG1-CE 3.4Å; T86-K126 PolarHBondContact OG1-NZ 3.31Å; T86-V127 HydrophobicContact CG2-CB 4.29Å; T86-V127 HydrophobicContact CG2-CG2 3.46Å; T86-V127 VanDerWaalsContact CG2-CG2 3.46Å; T86-I130 HydrophobicContact CG2-CD1 3.76Å |
| 87 | S | 94.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -66.7 | 163.1 | 178 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | E83 L84 V89 N93 R134 | E83-S87 PolarHBondContact O-N 3.09Å; E83-S87 VanDerWaalsContact O-N 3.15Å; L84-S87 VanDerWaalsContact O-CB 3.29Å; L84-S87 WeakPolarHBondContact O-CB 3.42Å; L84-S87 PolarHBondContact O-N 3.36Å; L84-S87 PolarHBondContact O-OG 3.41Å; S87-V89 PolarHBondContact O-N 3.22Å; S87-V89 VanDerWaalsContact O-N 3.13Å; S87-V89 WeakPolarHBondContact OG-CG2 3.33Å; S87-N93 PolarHBondContact O-ND2 2.95Å; S87-R134 PolarHBondContact O-NH1 3.23Å |
| 88 | D | 91 | Very high | 94.5 | Very high | 120 Ų | 120 | 32.4 Ų | 32.4 | 64% | 0.642 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -86.7 | 51.2 | 172.9 | -157.7 | 12.5 | 0 | 0 | 0 | 111.6 | R134 | D88-R134 IonicContact OD1-CZ 2.72Å; D88-R134 IonicContact OD1-NH2 3.17Å; D88-R134 PolarHBondContact OD1-NH2 2.82Å |
| 89 | V | 94.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -117.9 | 104.1 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 107.5 | C37 Q40 V45 S87 Q91 I92 N93 | C37-V89 WeakPolarHBondContact O-CG2 3.49Å; Q40-V89 HydrophobicContact CG-CG2 4.34Å; V45-V89 HydrophobicContact CG1-CG1 4.37Å; V45-V89 HydrophobicContact CG2-CG1 4.08Å; S87-V89 PolarHBondContact O-N 3.22Å; S87-V89 VanDerWaalsContact O-N 3.13Å; S87-V89 WeakPolarHBondContact OG-CG2 3.33Å; V89-Q91 VanDerWaalsContact C-N 3.31Å; V89-Q91 PolarHBondContact O-N 3.5Å; V89-I92 HydrophobicContact CB-CB 4.47Å; V89-I92 HydrophobicContact CB-CD1 4.09Å; V89-I92 HydrophobicContact CB-CG1 4.31Å; V89-I92 HydrophobicContact CG1-CB 4.46Å; V89-I92 HydrophobicContact CG1-CD1 3.94Å; V89-I92 HydrophobicContact CG1-CG1 3.93Å; V89-I92 PolarHBondContact O-N 3.49Å; V89-N93 PolarHBondContact O-N 2.96Å; V89-N93 PolarHBondContact O-ND2 2.94Å | ||
| 90 | S | 92.1 | Very high | 94.6 | Very high | 63 Ų | 63 | 34.5 Ų | 34.5 | 44% | 0.441 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -55.1 | -46 | -173.1 | 50 | 0 | 0 | 0 | 0 | 111.8 | I92 N93 D94 | S90-I92 VanDerWaalsContact C-N 3.28Å; S90-I92 PolarHBondContact O-N 3.33Å; S90-I92 VanDerWaalsContact O-N 3.17Å; S90-N93 CarbonylContact O-C 3.49Å; S90-N93 PolarHBondContact O-N 3.36Å; S90-D94 VanDerWaalsContact C-OD2 3.3Å; S90-D94 WeakPolarHBondContact O-CB 3.17Å; S90-D94 PolarHBondContact O-N 3.15Å; S90-D94 VanDerWaalsContact O-OD2 3.08Å |
| 91 | Q | 94.7 | Very high | 94.5 | Very high | 62 Ų | 62 | 40.3 Ų | 40.3 | 29% | 0.29 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57 | -38.6 | -176.5 | -52.7 | 90.8 | -29.5 | 0 | 0 | 113 | V45 L49 V89 R95 | V45-Q91 HydrophobicContact CG1-CB 4.23Å; V45-Q91 HydrophobicContact CG1-CG 4.47Å; L49-Q91 HydrophobicContact CD1-CB 3.85Å; L49-Q91 HydrophobicContact CD2-CB 4.21Å; L49-Q91 WeakPolarHBondContact CD2-O 3.14Å; V89-Q91 VanDerWaalsContact C-N 3.31Å; V89-Q91 PolarHBondContact O-N 3.5Å; Q91-R95 WeakPolarHBondContact O-CB 3.36Å; Q91-R95 PolarHBondContact O-N 2.71Å |
| 92 | I | 94.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.2 | -42.1 | 179.3 | -64 | 176.9 | 0 | 0 | 0 | 110.3 | L48 L49 M54 L85 V89 S90 L96 | L48-I92 HydrophobicContact CD1-CD1 4.13Å; L49-I92 HydrophobicContact CD2-CG1 4.29Å; M54-I92 HydrophobicContact CE-CG2 4.25Å; M54-I92 HydrophobicContact SD-CG2 4.4Å; L85-I92 HydrophobicContact CD2-CG2 4.31Å; V89-I92 HydrophobicContact CB-CB 4.47Å; V89-I92 HydrophobicContact CB-CD1 4.09Å; V89-I92 HydrophobicContact CB-CG1 4.31Å; V89-I92 HydrophobicContact CG1-CB 4.46Å; V89-I92 HydrophobicContact CG1-CD1 3.94Å; V89-I92 HydrophobicContact CG1-CG1 3.93Å; V89-I92 PolarHBondContact O-N 3.49Å; S90-I92 VanDerWaalsContact C-N 3.28Å; S90-I92 PolarHBondContact O-N 3.33Å; S90-I92 VanDerWaalsContact O-N 3.17Å; I92-L96 WeakPolarHBondContact O-CB 3.34Å; I92-L96 PolarHBondContact O-N 3.14Å |
| 93 | N | 93 | Very high | 94.5 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.2 | -42.6 | 177.9 | -71.8 | -104.8 | 0 | 0 | 0 | 111.5 | S87 V89 S90 L96 G97 I130 R134 | S87-N93 PolarHBondContact O-ND2 2.95Å; V89-N93 PolarHBondContact O-N 2.96Å; V89-N93 PolarHBondContact O-ND2 2.94Å; S90-N93 CarbonylContact O-C 3.49Å; S90-N93 PolarHBondContact O-N 3.36Å; N93-L96 PolarHBondContact O-N 2.89Å; N93-G97 PolarHBondContact O-N 2.91Å; N93-I130 VanDerWaalsContact OD1-CG2 3.32Å; N93-I130 WeakPolarHBondContact OD1-CG2 3.49Å; N93-R134 VanDerWaalsContact CG-NH1 3.3Å; N93-R134 PolarHBondContact ND2-NH1 3.17Å; N93-R134 PolarHBondContact OD1-NH1 3.19Å |
| 94 | D | 93.4 | Very high | 94.5 | Very high | 52 Ų | 52 | 42.2 Ų | 42.2 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.2 | -52.6 | 173.5 | -66.9 | -38.3 | 0 | 0 | 0 | 110.3 | S90 L96 G97 E98 K135 | S90-D94 VanDerWaalsContact C-OD2 3.3Å; S90-D94 WeakPolarHBondContact O-CB 3.17Å; S90-D94 PolarHBondContact O-N 3.15Å; S90-D94 VanDerWaalsContact O-OD2 3.08Å; D94-L96 VanDerWaalsContact C-N 3.28Å; D94-L96 PolarHBondContact O-N 3.23Å; D94-G97 PolarHBondContact O-N 2.9Å; D94-E98 WeakPolarHBondContact O-CB 3.19Å; D94-E98 WeakPolarHBondContact O-CG 3.19Å; D94-E98 PolarHBondContact O-N 3.39Å; D94-K135 WeakPolarHBondContact OD1-CE 3.36Å; D94-K135 IonicContact OD1-NZ 2.71Å; D94-K135 PolarHBondContact OD1-NZ 3.13Å |
| 95 | R | 94.3 | Very high | 94.4 | Very high | 79 Ų | 79 | 44.5 Ų | 44.5 | 30% | 0.298 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.2 | -35.5 | -179.3 | -175.7 | 69 | -169.5 | 107.1 | 14.8 | 112.7 | L49 M54 Q91 D99 | L49-R95 HydrophobicContact CD2-CB 3.58Å; L49-R95 HydrophobicContact CD2-CG 3.85Å; M54-R95 HydrophobicContact CE-CB 4.28Å; M54-R95 HydrophobicContact CE-CG 4.15Å; M54-R95 HydrophobicContact CG-CG 4.01Å; M54-R95 HydrophobicContact SD-CG 4.36Å; Q91-R95 WeakPolarHBondContact O-CB 3.36Å; Q91-R95 PolarHBondContact O-N 2.71Å; R95-D99 IonicContact CZ-OD2 3.58Å; R95-D99 IonicContact NH1-OD2 3.74Å; R95-D99 PolarHBondContact NH1-OD2 3.13Å; R95-D99 IonicContact NH2-OD2 2.72Å; R95-D99 PolarHBondContact NH2-OD2 3.48Å; R95-D99 WeakPolarHBondContact O-CB 3.41Å |
| 96 | L | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -76.1 | -38.1 | 176.9 | -177.3 | 60.9 | 0 | 0 | 0 | 112.8 | M54 V58 L85 I92 N93 D94 L102 L103 V127 L131 | M54-L96 HydrophobicContact CE-CB 3.9Å; M54-L96 HydrophobicContact CE-CD1 4.49Å; V58-L96 HydrophobicContact CG2-CD1 3.69Å; L85-L96 HydrophobicContact CB-CD2 4.47Å; L85-L96 HydrophobicContact CD2-CD2 4.17Å; I92-L96 WeakPolarHBondContact O-CB 3.34Å; I92-L96 PolarHBondContact O-N 3.14Å; N93-L96 PolarHBondContact O-N 2.89Å; D94-L96 VanDerWaalsContact C-N 3.28Å; D94-L96 PolarHBondContact O-N 3.23Å; L96-L102 HydrophobicContact CD1-CB 3.92Å; L96-L102 HydrophobicContact CD1-CD1 4.3Å; L96-L103 WeakPolarHBondContact O-CD2 3.08Å; L96-V127 HydrophobicContact CD2-CG1 3.65Å; L96-L131 HydrophobicContact CB-CD2 4.25Å; L96-L131 HydrophobicContact CD2-CD1 3.83Å; L96-L131 HydrophobicContact CD2-CD2 4.07Å; L96-L131 HydrophobicContact CD2-CG 4.26Å; L96-L131 HydrophobicContact CG-CD1 3.89Å; L96-L131 HydrophobicContact CG-CD2 4.09Å |
| 97 | G | 92.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -76.5 | -24.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N93 D94 L103 | N93-G97 PolarHBondContact O-N 2.91Å; D94-G97 PolarHBondContact O-N 2.9Å; G97-L103 WeakPolarHBondContact O-CD1 3.44Å |
| 98 | E | 93.7 | Very high | 94.4 | Very high | 116 Ų | 116 | 45.4 Ų | 45.4 | 54% | 0.542 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -102.1 | -10.4 | -174.1 | -66.4 | 177 | -174.7 | 0 | 0 | 113.8 | D94 K135 Q138 | D94-E98 WeakPolarHBondContact O-CB 3.19Å; D94-E98 WeakPolarHBondContact O-CG 3.19Å; D94-E98 PolarHBondContact O-N 3.39Å; E98-K135 IonicContact OE1-NZ 3.53Å; E98-K135 PolarHBondContact OE1-NZ 3.05Å; E98-Q138 VanDerWaalsContact CG-OE1 3.3Å; E98-Q138 PolarHBondContact OE1-NE2 3.46Å; E98-Q138 VanDerWaalsContact OE1-NE2 3.09Å |
| 99 | D | 94.7 | Very high | 94.7 | Very high | 22 Ų | 22 | 40 Ų | 40 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | trans | -94.5 | 106.2 | 175.2 | -160.7 | -58.2 | 0 | 0 | 0 | 112.1 | R95 M101 L102 L103 | R95-D99 IonicContact CZ-OD2 3.58Å; R95-D99 IonicContact NH1-OD2 3.74Å; R95-D99 PolarHBondContact NH1-OD2 3.13Å; R95-D99 IonicContact NH2-OD2 2.72Å; R95-D99 PolarHBondContact NH2-OD2 3.48Å; R95-D99 WeakPolarHBondContact O-CB 3.41Å; D99-M101 PolarHBondContact O-N 3Å; D99-M101 VanDerWaalsContact O-N 3.16Å; D99-M101 WeakPolarHBondContact OD1-CA 3.31Å; D99-M101 VanDerWaalsContact OD1-CB 3.27Å; D99-M101 WeakPolarHBondContact OD1-CB 3.49Å; D99-M101 PolarHBondContact OD1-N 3.19Å; D99-L102 HydrophobicContact CB-CB 4.09Å; D99-L102 HydrophobicContact CB-CD1 3.83Å; D99-L102 HydrophobicContact CB-CG 3.86Å; D99-L102 PolarHBondContact O-N 2.82Å; D99-L102 VanDerWaalsContact O-N 3.17Å; D99-L102 PolarHBondContact OD1-N 3Å; D99-L103 PolarHBondContact O-N 3.44Å | ||
| 100 | E | 93.7 | Very high | 94.8 | Very high | 105 Ų | 105 | 40 Ų | 40 | 49% | 0.491 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.2 | -24.6 | 179.6 | -167 | 171.8 | 176.9 | 0 | 0 | 112.8 | M104 F142 R146 | E100-M104 HydrophobicContact CG-CG 4.35Å; E100-M104 VanDerWaalsContact O-CB 3.22Å; E100-M104 WeakPolarHBondContact O-CB 3.43Å; E100-M104 WeakPolarHBondContact O-CG 3.17Å; E100-M104 PolarHBondContact O-N 3.17Å; E100-F142 HydrophobicContact CG-CD2 4.16Å; E100-F142 HydrophobicContact CG-CE2 3.91Å; E100-R146 IonicContact OE1-CZ 3.78Å; E100-R146 IonicContact OE1-NH1 2.66Å; E100-R146 IonicContact OE1-NH2 3.57Å; E100-R146 PolarHBondContact OE1-NH2 2.89Å |
| 101 | M | 95.6 | Very high | 95 | Very high | 144 Ų | 144 | 41.5 Ų | 41.5 | 71% | 0.709 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -74.7 | -41.4 | 176.5 | -53.8 | -169.3 | -58.8 | 0 | 0 | 111.6 | D99 M104 K105 | D99-M101 PolarHBondContact O-N 3Å; D99-M101 VanDerWaalsContact O-N 3.16Å; D99-M101 WeakPolarHBondContact OD1-CA 3.31Å; D99-M101 VanDerWaalsContact OD1-CB 3.27Å; D99-M101 WeakPolarHBondContact OD1-CB 3.49Å; D99-M101 PolarHBondContact OD1-N 3.19Å; M101-M104 PolarHBondContact O-N 3.42Å; M101-K105 WeakPolarHBondContact O-CB 3.22Å; M101-K105 PolarHBondContact O-N 2.8Å |
| 102 | L | 96.5 | Very high | 95 | Very high | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.6 | -43.8 | 174.5 | -61.3 | 178.5 | 0 | 0 | 0 | 111.1 | M54 E55 L96 D99 M104 K105 L106 | M54-L102 HydrophobicContact CB-CD1 3.68Å; M54-L102 HydrophobicContact CB-CD2 4.1Å; M54-L102 HydrophobicContact CE-CD1 4.07Å; M54-L102 HydrophobicContact CG-CD1 4.34Å; E55-L102 HydrophobicContact CB-CD2 4.17Å; L96-L102 HydrophobicContact CD1-CB 3.92Å; L96-L102 HydrophobicContact CD1-CD1 4.3Å; D99-L102 HydrophobicContact CB-CB 4.09Å; D99-L102 HydrophobicContact CB-CD1 3.83Å; D99-L102 HydrophobicContact CB-CG 3.86Å; D99-L102 PolarHBondContact O-N 2.82Å; D99-L102 VanDerWaalsContact O-N 3.17Å; D99-L102 PolarHBondContact OD1-N 3Å; L102-M104 PolarHBondContact O-N 2.78Å; L102-K105 PolarHBondContact O-N 3.07Å; L102-L106 WeakPolarHBondContact O-CB 3.47Å; L102-L106 PolarHBondContact O-N 2.83Å |
| 103 | L | 96.4 | Very high | 94.9 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 173.7 | -69.2 | -176 | 0 | 0 | 0 | 112 | L96 G97 D99 K105 L106 Y107 L131 I139 F142 | L96-L103 WeakPolarHBondContact O-CD2 3.08Å; G97-L103 WeakPolarHBondContact O-CD1 3.44Å; D99-L103 PolarHBondContact O-N 3.44Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.11Å; L103-L106 PolarHBondContact O-N 2.55Å; L103-Y107 WeakPolarHBondContact O-CB 3.25Å; L103-Y107 PolarHBondContact O-N 2.82Å; L103-L131 HydrophobicContact CD2-CD1 4.13Å; L103-I139 HydrophobicContact CD1-CD1 4.1Å; L103-I139 HydrophobicContact CD2-CD1 3.78Å; L103-F142 HydrophobicContact CB-CD1 4.39Å; L103-F142 HydrophobicContact CB-CD2 3.93Å; L103-F142 HydrophobicContact CB-CE1 4.06Å; L103-F142 HydrophobicContact CB-CE2 3.52Å; L103-F142 HydrophobicContact CB-CG 4.35Å; L103-F142 HydrophobicContact CB-CZ 3.62Å; L103-F142 HydrophobicContact CD1-CB 4.12Å; L103-F142 HydrophobicContact CD1-CD1 4.35Å; L103-F142 HydrophobicContact CD1-CD2 3.74Å; L103-F142 HydrophobicContact CD1-CE2 4.22Å; L103-F142 HydrophobicContact CD1-CG 3.82Å |
| 104 | M | 95.6 | Very high | 94.8 | Very high | 75 Ų | 75 | 50.9 Ų | 50.9 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.9 | -34.5 | 175.2 | -80.4 | -62 | -62.4 | 0 | 0 | 113 | E100 M101 L102 Y107 G108 F142 R146 | E100-M104 HydrophobicContact CG-CG 4.35Å; E100-M104 VanDerWaalsContact O-CB 3.22Å; E100-M104 WeakPolarHBondContact O-CB 3.43Å; E100-M104 WeakPolarHBondContact O-CG 3.17Å; E100-M104 PolarHBondContact O-N 3.17Å; M101-M104 PolarHBondContact O-N 3.42Å; L102-M104 PolarHBondContact O-N 2.78Å; M104-Y107 HydrophobicContact CE-CD1 4.15Å; M104-Y107 HydrophobicContact CE-CE1 3.86Å; M104-Y107 HydrophobicContact SD-CD1 3.89Å; M104-Y107 HydrophobicContact SD-CE1 3.92Å; M104-G108 PolarHBondContact O-N 3.2Å; M104-F142 HydrophobicContact CG-CE2 3.98Å; M104-F142 HydrophobicContact CG-CZ 4.07Å; M104-F142 HydrophobicContact SD-CE2 4Å; M104-F142 HydrophobicContact SD-CZ 3.74Å; M104-R146 VanDerWaalsContact SD-CZ 3.51Å; M104-R146 PolarHBondContact SD-NE 3.38Å; M104-R146 PolarHBondContact SD-NH2 2.99Å; M104-R146 VanDerWaalsContact SD-NH2 3.35Å |
| 105 | K | 95.6 | Very high | 94.7 | Very high | 51 Ų | 51 | 54 Ų | 54 | 22% | 0.222 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.3 | -42.9 | 174.4 | -162.2 | 170.4 | -166 | 173.1 | 0 | 111.3 | E55 V58 T59 M101 L102 L103 G108 | E55-K105 HydrophobicContact CG-CD 3.87Å; E55-K105 IonicContact OE1-NZ 3.22Å; E55-K105 PolarHBondContact OE1-NZ 2.62Å; V58-K105 HydrophobicContact CG1-CB 4.03Å; V58-K105 HydrophobicContact CG1-CD 4.4Å; V58-K105 HydrophobicContact CG1-CG 4.1Å; T59-K105 WeakPolarHBondContact OG1-CE 3.27Å; T59-K105 PolarHBondContact OG1-NZ 3.3Å; M101-K105 WeakPolarHBondContact O-CB 3.22Å; M101-K105 PolarHBondContact O-N 2.8Å; L102-K105 PolarHBondContact O-N 3.07Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.11Å; K105-G108 PolarHBondContact O-N 3.28Å |
| 106 | L | 95.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -54.6 | 175.4 | -174.6 | 68.5 | 0 | 0 | 0 | 111.6 | V58 I61 T62 L102 L103 G108 F109 F124 V127 L128 L131 | V58-L106 HydrophobicContact CG1-CB 4.2Å; I61-L106 HydrophobicContact CD1-CD1 3.87Å; T62-L106 HydrophobicContact CG2-CD1 4.15Å; L102-L106 WeakPolarHBondContact O-CB 3.47Å; L102-L106 PolarHBondContact O-N 2.83Å; L103-L106 PolarHBondContact O-N 2.55Å; L106-G108 PolarHBondContact O-N 3.07Å; L106-F109 VanDerWaalsContact O-CB 3.25Å; L106-F109 WeakPolarHBondContact O-CB 3.47Å; L106-F109 PolarHBondContact O-N 3.3Å; L106-F124 HydrophobicContact CD1-CD2 3.76Å; L106-F124 HydrophobicContact CD1-CE2 4.36Å; L106-F124 HydrophobicContact CG-CD2 3.95Å; L106-F124 HydrophobicContact CG-CE2 4.03Å; L106-F124 WeakPolarHBondContact O-CD2 3.48Å; L106-F124 VanDerWaalsContact O-CE2 3.27Å; L106-F124 WeakPolarHBondContact O-CE2 3.44Å; L106-V127 HydrophobicContact CD1-CG1 4.22Å; L106-V127 HydrophobicContact CD2-CG1 3.98Å; L106-L128 HydrophobicContact CD2-CB 4.4Å; L106-L128 HydrophobicContact CD2-CD1 4.4Å; L106-L131 HydrophobicContact CD2-CD1 3.96Å |
| 107 | Y | 95.6 | Very high | 94.6 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 4% | 0.039 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65 | -24.6 | 177.2 | 144.9 | -86.2 | 0 | 0 | 0 | 112.8 | L103 M104 F109 L110 K111 F142 R146 D148 F149 L152 | L103-Y107 WeakPolarHBondContact O-CB 3.25Å; L103-Y107 PolarHBondContact O-N 2.82Å; M104-Y107 HydrophobicContact CE-CD1 4.15Å; M104-Y107 HydrophobicContact CE-CE1 3.86Å; M104-Y107 HydrophobicContact SD-CD1 3.89Å; M104-Y107 HydrophobicContact SD-CE1 3.92Å; Y107-F109 PolarHBondContact O-N 3.35Å; Y107-F109 VanDerWaalsContact O-N 3.16Å; Y107-L110 PolarHBondContact O-N 3.37Å; Y107-L110 VanDerWaalsContact O-N 3.07Å; Y107-K111 VanDerWaalsContact CE1-CE 3.41Å; Y107-K111 WeakPolarHBondContact OH-CE 3.1Å; Y107-K111 PolarHBondContact OH-NZ 3.47Å; Y107-F142 HydrophobicContact CD1-CZ 4.49Å; Y107-F142 HydrophobicContact CG-CE1 4.31Å; Y107-R146 HydrophobicContact CE1-CG 4.37Å; Y107-R146 HydrophobicContact CE2-CB 3.97Å; Y107-R146 HydrophobicContact CE2-CG 3.97Å; Y107-D148 VanDerWaalsContact OH-CG 3.32Å; Y107-D148 PolarHBondContact OH-OD1 3.35Å; Y107-D148 PolarHBondContact OH-OD2 3.32Å; Y107-F149 HydrophobicContact CD2-CD2 4.13Å; Y107-F149 HydrophobicContact CE2-CB 4.44Å; Y107-F149 HydrophobicContact CE2-CD2 4.32Å; Y107-L152 HydrophobicContact CE2-CD1 4.21Å |
| 108 | G | 95.9 | Very high | 94.5 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.2 | -28.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | M104 K105 L106 L110 K111 | M104-G108 PolarHBondContact O-N 3.2Å; K105-G108 PolarHBondContact O-N 3.28Å; L106-G108 PolarHBondContact O-N 3.07Å; G108-L110 PolarHBondContact O-N 2.93Å; G108-K111 WeakPolarHBondContact O-CB 3.3Å; G108-K111 PolarHBondContact O-N 3.29Å |
| 109 | F | 96.5 | Very high | 94.4 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -54.8 | -37 | 173.9 | 178.7 | -110.9 | 0 | 0 | 0 | 113.3 | T62 L106 Y107 K111 N112 L116 L120 A121 F124 | T62-F109 HydrophobicContact CG2-CB 3.84Å; T62-F109 HydrophobicContact CG2-CG 4.41Å; T62-F109 WeakPolarHBondContact O-CD2 3.43Å; L106-F109 VanDerWaalsContact O-CB 3.25Å; L106-F109 WeakPolarHBondContact O-CB 3.47Å; L106-F109 PolarHBondContact O-N 3.3Å; Y107-F109 PolarHBondContact O-N 3.35Å; Y107-F109 VanDerWaalsContact O-N 3.16Å; F109-K111 PolarHBondContact O-N 2.9Å; F109-N112 WeakPolarHBondContact O-CB 3.5Å; F109-N112 PolarHBondContact O-N 2.72Å; F109-N112 PolarHBondContact O-ND2 2.99Å; F109-L116 HydrophobicContact CD1-CD1 4.4Å; F109-L116 HydrophobicContact CE1-CB 4.47Å; F109-L116 HydrophobicContact CE1-CD1 3.75Å; F109-L116 HydrophobicContact CE1-CD2 4.24Å; F109-L116 HydrophobicContact CE1-CG 4.38Å; F109-L116 HydrophobicContact CE2-CD2 4.38Å; F109-L116 HydrophobicContact CZ-CB 4.12Å; F109-L116 HydrophobicContact CZ-CD1 4.2Å; F109-L116 HydrophobicContact CZ-CD2 4.07Å; F109-L116 HydrophobicContact CZ-CG 4.36Å; F109-L120 HydrophobicContact CE2-CB 3.88Å; F109-L120 HydrophobicContact CZ-CB 3.99Å; F109-A121 HydrophobicContact CE1-CB 3.94Å; F109-A121 HydrophobicContact CZ-CB 4.01Å; F109-F124 HydrophobicContact CB-CD2 4.05Å; F109-F124 HydrophobicContact CB-CE2 4.41Å; F109-F124 HydrophobicContact CD1-CB 3.74Å; F109-F124 AromaticContact CD1-CD1 3.79Å; F109-F124 HydrophobicContact CD1-CD1 3.79Å; F109-F124 AromaticContact CD1-CD2 3.79Å; F109-F124 HydrophobicContact CD1-CD2 3.79Å; F109-F124 HydrophobicContact CD1-CE1 4.38Å; F109-F124 HydrophobicContact CD1-CE2 4.38Å; F109-F124 AromaticContact CD1-CG 3.47Å; F109-F124 HydrophobicContact CD1-CG 3.47Å; F109-F124 VanDerWaalsContact CD1-CG 3.47Å; F109-F124 HydrophobicContact CE1-CB 3.92Å; F109-F124 HydrophobicContact CE1-CD1 4.1Å; F109-F124 AromaticContact CE1-CG 4Å; F109-F124 HydrophobicContact CE1-CG 4Å; F109-F124 HydrophobicContact CG-CB 4.44Å; F109-F124 HydrophobicContact CG-CD2 4.26Å; F109-F124 HydrophobicContact CG-CG 4.3Å |
| 110 | L | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -69.1 | -18.3 | 178.7 | -64.8 | 178.6 | 0 | 0 | 0 | 113 | Y107 G108 N112 L116 F124 F149 L152 H156 I162 | Y107-L110 PolarHBondContact O-N 3.37Å; Y107-L110 VanDerWaalsContact O-N 3.07Å; G108-L110 PolarHBondContact O-N 2.93Å; L110-N112 VanDerWaalsContact C-N 3.3Å; L110-N112 PolarHBondContact O-N 2.74Å; L110-L116 HydrophobicContact CD2-CD1 4.44Å; L110-F124 HydrophobicContact CD1-CE1 4.41Å; L110-F124 HydrophobicContact CD1-CZ 3.85Å; L110-F124 HydrophobicContact CD2-CE1 3.7Å; L110-F124 HydrophobicContact CD2-CZ 3.85Å; L110-F124 HydrophobicContact CG-CE1 4.07Å; L110-F124 HydrophobicContact CG-CE2 4.36Å; L110-F124 HydrophobicContact CG-CZ 3.65Å; L110-F149 HydrophobicContact CD1-CD2 3.98Å; L110-F149 HydrophobicContact CD1-CE2 3.76Å; L110-L152 HydrophobicContact CB-CB 4.07Å; L110-L152 HydrophobicContact CB-CD1 4.36Å; L110-H156 PolarHBondContact O-CD2 2.99Å; L110-H156 PolarHBondContact O-NE2 2.75Å; L110-I162 HydrophobicContact CD2-CD1 3.97Å |
| 111 | K | 95.3 | Very high | 94.5 | Very high | 96 Ų | 96 | 48.8 Ų | 48.8 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -79.9 | -12.8 | -179.8 | -55.5 | -151 | -178 | -149.5 | 0 | 113.6 | Y107 G108 F109 D148 L152 | Y107-K111 VanDerWaalsContact CE1-CE 3.41Å; Y107-K111 WeakPolarHBondContact OH-CE 3.1Å; Y107-K111 PolarHBondContact OH-NZ 3.47Å; G108-K111 WeakPolarHBondContact O-CB 3.3Å; G108-K111 PolarHBondContact O-N 3.29Å; F109-K111 PolarHBondContact O-N 2.9Å; K111-D148 WeakPolarHBondContact CE-OD2 3.37Å; K111-D148 IonicContact NZ-OD1 3.06Å; K111-D148 IonicContact NZ-OD2 2.74Å; K111-D148 PolarHBondContact NZ-OD2 3.36Å; K111-L152 HydrophobicContact CD-CD1 4.4Å; K111-L152 HydrophobicContact CG-CD1 3.88Å |
| 112 | N | 94.4 | Very high | 94.6 | Very high | 76 Ų | 76 | 44.2 Ų | 44.2 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -55.8 | 157.4 | 168 | -65.9 | -34 | 0 | 0 | 0 | 111.1 | F109 L110 L116 K155 H156 | F109-N112 WeakPolarHBondContact O-CB 3.5Å; F109-N112 PolarHBondContact O-N 2.72Å; F109-N112 PolarHBondContact O-ND2 2.99Å; L110-N112 VanDerWaalsContact C-N 3.3Å; L110-N112 PolarHBondContact O-N 2.74Å; N112-L116 HydrophobicContact CB-CD2 3.84Å; N112-K155 PolarHBondContact O-NZ 3.5Å; N112-H156 PolarHBondContact O-CE1 2.79Å; N112-H156 PolarHBondContact O-NE2 2.89Å; N112-H156 VanDerWaalsContact O-NE2 3.07Å |
| 113 | D | 93.8 | Very high | 94.5 | Very high | 127 Ų | 127 | 44.6 Ų | 44.6 | 68% | 0.679 | 25% | 0.253 | S | S | * | . | P | Polyproline II helix | trans | -86.3 | 155.3 | 176 | -75.6 | -39.5 | 0 | 0 | 0 | 112.4 | K155 | D113-K155 WeakPolarHBondContact OD1-CE 3.35Å; D113-K155 IonicContact OD1-NZ 3.5Å; D113-K155 PolarHBondContact OD1-NZ 3.16Å |
| 114 | P | 91.3 | Very high | 94.6 | Very high | 59 Ų | 59 | 44.2 Ų | 44.2 | 38% | 0.383 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -80.6 | 152.2 | -173.7 | -6.5 | 26.3 | 0 | 0 | 0 | 111.3 | K155 | P114-K155 HydrophobicContact CG-CG 3.97Š|
| 115 | P | 91.6 | Very high | 94.6 | Very high | 119 Ų | 119 | 40.8 Ų | 40.8 | 77% | 0.773 | 24% | 0.235 | S | C | * | . | S | Bend | cis | -77.3 | 146.6 | -2.6 | 32.1 | -35.1 | 0 | 0 | 0 | 112.4 | ||
| 116 | L | 93.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 145.8 | 166.4 | -64.8 | 175.7 | 0 | 0 | 0 | 110 | F109 L110 N112 P118 A121 H156 I162 | F109-L116 HydrophobicContact CD1-CD1 4.4Å; F109-L116 HydrophobicContact CE1-CB 4.47Å; F109-L116 HydrophobicContact CE1-CD1 3.75Å; F109-L116 HydrophobicContact CE1-CD2 4.24Å; F109-L116 HydrophobicContact CE1-CG 4.38Å; F109-L116 HydrophobicContact CE2-CD2 4.38Å; F109-L116 HydrophobicContact CZ-CB 4.12Å; F109-L116 HydrophobicContact CZ-CD1 4.2Å; F109-L116 HydrophobicContact CZ-CD2 4.07Å; F109-L116 HydrophobicContact CZ-CG 4.36Å; L110-L116 HydrophobicContact CD2-CD1 4.44Å; N112-L116 HydrophobicContact CB-CD2 3.84Å; L116-P118 VanDerWaalsContact O-CD 3.26Å; L116-P118 WeakPolarHBondContact O-CD 3.38Å; L116-P118 VanDerWaalsContact O-N 3.16Å; L116-A121 HydrophobicContact CB-CB 4.32Å; L116-H156 HydrophobicContact CD1-CB 3.75Å; L116-H156 HydrophobicContact CG-CB 4.33Å; L116-I162 HydrophobicContact CD1-CD1 4.09Å; L116-I162 HydrophobicContact CD1-CG1 4.08Å |
| 117 | N | 91.6 | Very high | 94.7 | Very high | 45 Ų | 45 | 41.5 Ų | 41.5 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -56.1 | 117.3 | 169.8 | -175.3 | -63.5 | 0 | 0 | 0 | 109.9 | E64 L119 L120 A121 | E64-N117 HydrophobicContact CG-CB 4.46Å; E64-N117 WeakPolarHBondContact OE1-CB 3.4Å; E64-N117 PolarHBondContact OE1-ND2 3.3Å; N117-L119 VanDerWaalsContact C-N 3.27Å; N117-L119 PolarHBondContact O-N 3.01Å; N117-L119 WeakPolarHBondContact OD1-CB 3.4Å; N117-L119 PolarHBondContact OD1-N 3.17Å; N117-L119 VanDerWaalsContact OD1-N 3.09Å; N117-L120 HydrophobicContact CB-CB 4.15Å; N117-L120 HydrophobicContact CB-CD1 4.24Å; N117-L120 HydrophobicContact CB-CG 4.16Å; N117-L120 PolarHBondContact O-N 2.91Å; N117-L120 PolarHBondContact OD1-N 2.9Å; N117-A121 VanDerWaalsContact O-CB 3.3Å; N117-A121 WeakPolarHBondContact O-CB 3.48Å; N117-A121 PolarHBondContact O-N 3.44Å |
| 118 | P | 92.5 | Very high | 94.7 | Very high | 97 Ų | 97 | 41.4 Ų | 41.4 | 63% | 0.63 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -62.2 | -32.3 | -172.2 | -26.9 | 36.2 | 0 | 0 | 0 | 113.9 | L116 S122 | L116-P118 VanDerWaalsContact O-CD 3.26Å; L116-P118 WeakPolarHBondContact O-CD 3.38Å; L116-P118 VanDerWaalsContact O-N 3.16Å; P118-S122 PolarHBondContact O-N 2.83Å |
| 119 | L | 91.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 33% | 0.33 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.5 | -50.6 | 178.8 | -177.7 | 66.8 | 0 | 0 | 0 | 110.9 | Y75 N117 A121 S122 F123 | Y75-L119 HydrophobicContact CD1-CD2 3.45Å; Y75-L119 VanDerWaalsContact CD1-CD2 3.45Å; Y75-L119 HydrophobicContact CE1-CD2 3.85Å; Y75-L119 HydrophobicContact CG-CD2 4.44Å; N117-L119 VanDerWaalsContact C-N 3.27Å; N117-L119 PolarHBondContact O-N 3.01Å; N117-L119 WeakPolarHBondContact OD1-CB 3.4Å; N117-L119 PolarHBondContact OD1-N 3.17Å; N117-L119 VanDerWaalsContact OD1-N 3.09Å; L119-A121 VanDerWaalsContact C-N 3.29Å; L119-A121 PolarHBondContact O-N 3.4Å; L119-S122 WeakPolarHBondContact O-CB 3.33Å; L119-S122 PolarHBondContact O-N 3.08Å; L119-S122 VanDerWaalsContact O-N 3.08Å; L119-S122 PolarHBondContact O-OG 3.07Å; L119-F123 HydrophobicContact CD1-CE1 4.13Å; L119-F123 HydrophobicContact CD1-CE2 3.93Å; L119-F123 HydrophobicContact CD1-CZ 3.59Å; L119-F123 HydrophobicContact CD2-CE2 4.03Å; L119-F123 HydrophobicContact CD2-CZ 4.27Å; L119-F123 HydrophobicContact CG-CD2 4.3Å; L119-F123 HydrophobicContact CG-CE2 3.59Å; L119-F123 HydrophobicContact CG-CZ 3.81Å; L119-F123 PolarHBondContact O-N 2.93Å; L119-F123 VanDerWaalsContact O-N 3.07Å |
| 120 | L | 94.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -36.9 | 176.3 | -59.8 | -174.9 | 0 | 0 | 0 | 111.5 | E64 P78 F109 N117 S122 F123 F124 | E64-L120 HydrophobicContact CG-CD1 3.98Å; P78-L120 HydrophobicContact CB-CD2 3.96Å; P78-L120 HydrophobicContact CG-CD2 4.38Å; F109-L120 HydrophobicContact CE2-CB 3.88Å; F109-L120 HydrophobicContact CZ-CB 3.99Å; N117-L120 HydrophobicContact CB-CB 4.15Å; N117-L120 HydrophobicContact CB-CD1 4.24Å; N117-L120 HydrophobicContact CB-CG 4.16Å; N117-L120 PolarHBondContact O-N 2.91Å; N117-L120 PolarHBondContact OD1-N 2.9Å; L120-S122 VanDerWaalsContact C-N 3.29Å; L120-S122 PolarHBondContact O-N 3.4Å; L120-F123 HydrophobicContact CD2-CD2 4.13Å; L120-F123 PolarHBondContact O-N 3.45Å; L120-F123 VanDerWaalsContact O-N 3.17Å; L120-F124 WeakPolarHBondContact O-CB 3.32Å; L120-F124 PolarHBondContact O-N 2.9Å |
| 121 | A | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -35.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F109 L116 N117 L119 S125 T159 A161 | F109-A121 HydrophobicContact CE1-CB 3.94Å; F109-A121 HydrophobicContact CZ-CB 4.01Å; L116-A121 HydrophobicContact CB-CB 4.32Å; N117-A121 VanDerWaalsContact O-CB 3.3Å; N117-A121 WeakPolarHBondContact O-CB 3.48Å; N117-A121 PolarHBondContact O-N 3.44Å; L119-A121 VanDerWaalsContact C-N 3.29Å; L119-A121 PolarHBondContact O-N 3.4Å; A121-S125 WeakPolarHBondContact O-CB 3.42Å; A121-S125 PolarHBondContact O-N 3.03Å; A121-T159 HydrophobicContact CB-CG2 3.64Å; A121-A161 HydrophobicContact CB-CB 4.1Å; A121-A161 WeakPolarHBondContact O-CB 3.4Å |
| 122 | S | 96.1 | Very high | 94.2 | Very high | 48 Ų | 48 | 38 Ų | 38 | 34% | 0.336 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.2 | -39.7 | 172.9 | 83.1 | 0 | 0 | 0 | 0 | 112.4 | P118 L119 L120 K126 | P118-S122 PolarHBondContact O-N 2.83Å; L119-S122 WeakPolarHBondContact O-CB 3.33Å; L119-S122 PolarHBondContact O-N 3.08Å; L119-S122 VanDerWaalsContact O-N 3.08Å; L119-S122 PolarHBondContact O-OG 3.07Å; L120-S122 VanDerWaalsContact C-N 3.29Å; L120-S122 PolarHBondContact O-N 3.4Å; S122-K126 VanDerWaalsContact O-CB 3.3Å; S122-K126 WeakPolarHBondContact O-CB 3.46Å; S122-K126 PolarHBondContact O-N 2.67Å |
| 123 | F | 96.1 | Very high | 94 | Very high | 16 Ų | 16 | 36 Ų | 36 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.4 | -48 | 176.7 | -62.1 | -33.7 | 0 | 0 | 0 | 112.3 | I61 P78 N79 C82 L119 L120 S125 K126 V127 | I61-F123 HydrophobicContact CB-CB 4.05Å; I61-F123 HydrophobicContact CG2-CB 4.08Å; I61-F123 HydrophobicContact CG2-CD2 4.49Å; P78-F123 HydrophobicContact CB-CD2 4Å; P78-F123 HydrophobicContact CB-CE2 3.67Å; N79-F123 HydrophobicContact CB-CZ 3.92Å; C82-F123 HydrophobicContact CB-CB 3.94Å; C82-F123 HydrophobicContact CB-CD1 3.51Å; C82-F123 HydrophobicContact CB-CD2 4.42Å; C82-F123 HydrophobicContact CB-CE1 4.05Å; C82-F123 HydrophobicContact CB-CG 3.72Å; C82-F123 WeakPolarHBondContact SG-CD1 3.27Å; L119-F123 HydrophobicContact CD1-CE1 4.13Å; L119-F123 HydrophobicContact CD1-CE2 3.93Å; L119-F123 HydrophobicContact CD1-CZ 3.59Å; L119-F123 HydrophobicContact CD2-CE2 4.03Å; L119-F123 HydrophobicContact CD2-CZ 4.27Å; L119-F123 HydrophobicContact CG-CD2 4.3Å; L119-F123 HydrophobicContact CG-CE2 3.59Å; L119-F123 HydrophobicContact CG-CZ 3.81Å; L119-F123 PolarHBondContact O-N 2.93Å; L119-F123 VanDerWaalsContact O-N 3.07Å; L120-F123 HydrophobicContact CD2-CD2 4.13Å; L120-F123 PolarHBondContact O-N 3.45Å; L120-F123 VanDerWaalsContact O-N 3.17Å; F123-S125 VanDerWaalsContact C-N 3.33Å; F123-S125 PolarHBondContact O-N 3.31Å; F123-K126 PolarHBondContact O-N 2.92Å; F123-V127 WeakPolarHBondContact O-CB 3.29Å; F123-V127 WeakPolarHBondContact O-CG2 3.3Å; F123-V127 PolarHBondContact O-N 3.31Å |
| 124 | F | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53.1 | -49.9 | 171.6 | 163.7 | -95.4 | 0 | 0 | 0 | 111.2 | L106 F109 L110 L120 V127 L128 I162 L165 | L106-F124 HydrophobicContact CD1-CD2 3.76Å; L106-F124 HydrophobicContact CD1-CE2 4.36Å; L106-F124 HydrophobicContact CG-CD2 3.95Å; L106-F124 HydrophobicContact CG-CE2 4.03Å; L106-F124 WeakPolarHBondContact O-CD2 3.48Å; L106-F124 VanDerWaalsContact O-CE2 3.27Å; L106-F124 WeakPolarHBondContact O-CE2 3.44Å; F109-F124 HydrophobicContact CB-CD2 4.05Å; F109-F124 HydrophobicContact CB-CE2 4.41Å; F109-F124 HydrophobicContact CD1-CB 3.74Å; F109-F124 AromaticContact CD1-CD1 3.79Å; F109-F124 HydrophobicContact CD1-CD1 3.79Å; F109-F124 AromaticContact CD1-CD2 3.79Å; F109-F124 HydrophobicContact CD1-CD2 3.79Å; F109-F124 HydrophobicContact CD1-CE1 4.38Å; F109-F124 HydrophobicContact CD1-CE2 4.38Å; F109-F124 AromaticContact CD1-CG 3.47Å; F109-F124 HydrophobicContact CD1-CG 3.47Å; F109-F124 VanDerWaalsContact CD1-CG 3.47Å; F109-F124 HydrophobicContact CE1-CB 3.92Å; F109-F124 HydrophobicContact CE1-CD1 4.1Å; F109-F124 AromaticContact CE1-CG 4Å; F109-F124 HydrophobicContact CE1-CG 4Å; F109-F124 HydrophobicContact CG-CB 4.44Å; F109-F124 HydrophobicContact CG-CD2 4.26Å; F109-F124 HydrophobicContact CG-CG 4.3Å; L110-F124 HydrophobicContact CD1-CE1 4.41Å; L110-F124 HydrophobicContact CD1-CZ 3.85Å; L110-F124 HydrophobicContact CD2-CE1 3.7Å; L110-F124 HydrophobicContact CD2-CZ 3.85Å; L110-F124 HydrophobicContact CG-CE1 4.07Å; L110-F124 HydrophobicContact CG-CE2 4.36Å; L110-F124 HydrophobicContact CG-CZ 3.65Å; L120-F124 WeakPolarHBondContact O-CB 3.32Å; L120-F124 PolarHBondContact O-N 2.9Å; F124-V127 PolarHBondContact O-N 3.22Å; F124-L128 HydrophobicContact CE1-CD2 4.33Å; F124-L128 HydrophobicContact CE2-CD2 4.14Å; F124-L128 HydrophobicContact CZ-CD2 3.67Å; F124-L128 WeakPolarHBondContact O-CB 3.16Å; F124-L128 PolarHBondContact O-N 3.42Å; F124-I162 HydrophobicContact CD1-CD1 3.98Å; F124-I162 HydrophobicContact CE1-CD1 3.93Å; F124-L165 HydrophobicContact CE1-CD2 3.67Å; F124-L165 HydrophobicContact CZ-CD2 4.24Å |
| 125 | S | 96.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 178.6 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | A121 F123 V127 L128 S129 A161 | A121-S125 WeakPolarHBondContact O-CB 3.42Å; A121-S125 PolarHBondContact O-N 3.03Å; F123-S125 VanDerWaalsContact C-N 3.33Å; F123-S125 PolarHBondContact O-N 3.31Å; S125-V127 PolarHBondContact O-N 2.94Å; S125-L128 PolarHBondContact O-N 2.83Å; S125-S129 WeakPolarHBondContact O-CB 3.45Å; S125-S129 PolarHBondContact O-N 3.02Å; S125-S129 PolarHBondContact O-OG 3.15Å; S125-A161 WeakPolarHBondContact CB-O 3.47Å; S125-A161 PolarHBondContact OG-O 3.08Å |
| 126 | K | 95.8 | Very high | 93.8 | Very high | 66 Ų | 66 | 29 Ų | 29 | 29% | 0.287 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 178.6 | -167.7 | -166.1 | 173.7 | -155 | 0 | 111.9 | E83 T86 S122 F123 I130 | E83-K126 IonicContact OE1-NZ 3.85Å; E83-K126 PolarHBondContact OE1-NZ 3.31Å; T86-K126 HydrophobicContact CG2-CB 4.44Å; T86-K126 HydrophobicContact CG2-CD 3.92Å; T86-K126 HydrophobicContact CG2-CG 3.95Å; T86-K126 WeakPolarHBondContact OG1-CE 3.4Å; T86-K126 PolarHBondContact OG1-NZ 3.31Å; S122-K126 VanDerWaalsContact O-CB 3.3Å; S122-K126 WeakPolarHBondContact O-CB 3.46Å; S122-K126 PolarHBondContact O-N 2.67Å; F123-K126 PolarHBondContact O-N 2.92Å; K126-I130 HydrophobicContact CG-CD1 4.47Å; K126-I130 PolarHBondContact O-N 2.62Å |
| 127 | V | 96.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -53.3 | 177.4 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | I61 L85 T86 L96 L106 F123 F124 S125 S129 I130 L131 | I61-V127 HydrophobicContact CD1-CB 4.24Å; I61-V127 HydrophobicContact CD1-CG1 4.35Å; I61-V127 HydrophobicContact CD1-CG2 3.77Å; L85-V127 HydrophobicContact CB-CG2 4.01Å; T86-V127 HydrophobicContact CG2-CB 4.29Å; T86-V127 HydrophobicContact CG2-CG2 3.46Å; T86-V127 VanDerWaalsContact CG2-CG2 3.46Å; L96-V127 HydrophobicContact CD2-CG1 3.65Å; L106-V127 HydrophobicContact CD1-CG1 4.22Å; L106-V127 HydrophobicContact CD2-CG1 3.98Å; F123-V127 WeakPolarHBondContact O-CB 3.29Å; F123-V127 WeakPolarHBondContact O-CG2 3.3Å; F123-V127 PolarHBondContact O-N 3.31Å; F124-V127 PolarHBondContact O-N 3.22Å; S125-V127 PolarHBondContact O-N 2.94Å; V127-S129 VanDerWaalsContact C-N 3.26Å; V127-S129 PolarHBondContact O-N 2.94Å; V127-I130 PolarHBondContact O-N 2.6Å; V127-I130 VanDerWaalsContact O-N 3.17Å; V127-L131 HydrophobicContact CG1-CD1 4.16Å; V127-L131 WeakPolarHBondContact O-CG 3.27Å; V127-L131 PolarHBondContact O-N 3.36Å; V127-L131 VanDerWaalsContact O-N 3.08Å |
| 128 | L | 95.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -32.9 | -178.6 | -173.6 | 54.4 | 0 | 0 | 0 | 112 | L106 F124 S125 L131 I132 I139 L165 | L106-L128 HydrophobicContact CD2-CB 4.4Å; L106-L128 HydrophobicContact CD2-CD1 4.4Å; F124-L128 HydrophobicContact CE1-CD2 4.33Å; F124-L128 HydrophobicContact CE2-CD2 4.14Å; F124-L128 HydrophobicContact CZ-CD2 3.67Å; F124-L128 WeakPolarHBondContact O-CB 3.16Å; F124-L128 PolarHBondContact O-N 3.42Å; S125-L128 PolarHBondContact O-N 2.83Å; L128-L131 PolarHBondContact O-N 3.32Å; L128-I132 HydrophobicContact CG-CD1 4.13Å; L128-I132 WeakPolarHBondContact O-CD1 3.48Å; L128-I132 VanDerWaalsContact O-CG1 3.22Å; L128-I132 WeakPolarHBondContact O-CG1 3.14Å; L128-I132 PolarHBondContact O-N 3.34Å; L128-I139 HydrophobicContact CD1-CG2 3.83Å; L128-L165 HydrophobicContact CB-CD1 4.2Å; L128-L165 HydrophobicContact CD2-CD1 4.15Å; L128-L165 HydrophobicContact CD2-CD2 3.88Å; L128-L165 HydrophobicContact CG-CD1 4.07Å |
| 129 | S | 94.1 | Very high | 94 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 8% | 0.077 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 174.1 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | S125 V127 I132 G133 R168 | S125-S129 WeakPolarHBondContact O-CB 3.45Å; S125-S129 PolarHBondContact O-N 3.02Å; S125-S129 PolarHBondContact O-OG 3.15Å; V127-S129 VanDerWaalsContact C-N 3.26Å; V127-S129 PolarHBondContact O-N 2.94Å; S129-I132 PolarHBondContact O-N 3.15Å; S129-G133 PolarHBondContact O-N 3.03Å; S129-R168 WeakPolarHBondContact OG-CD 3.34Å; S129-R168 PolarHBondContact OG-NH1 2.87Å |
| 130 | I | 93.3 | Very high | 94.1 | Very high | 46 Ų | 46 | 28.6 Ų | 28.6 | 24% | 0.236 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.4 | -36.2 | 178.6 | -73.2 | 168.8 | 0 | 0 | 0 | 110.8 | T86 N93 K126 V127 G133 R134 | T86-I130 HydrophobicContact CG2-CD1 3.76Å; N93-I130 VanDerWaalsContact OD1-CG2 3.32Å; N93-I130 WeakPolarHBondContact OD1-CG2 3.49Å; K126-I130 HydrophobicContact CG-CD1 4.47Å; K126-I130 PolarHBondContact O-N 2.62Å; V127-I130 PolarHBondContact O-N 2.6Å; V127-I130 VanDerWaalsContact O-N 3.17Å; I130-G133 PolarHBondContact O-N 2.7Å; I130-R134 WeakPolarHBondContact O-CB 3.06Å; I130-R134 PolarHBondContact O-N 3.25Å |
| 131 | L | 93.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.3 | -41.2 | 170.9 | -65.8 | 173.6 | 0 | 0 | 0 | 111.8 | L96 L103 L106 V127 L128 K135 I139 | L96-L131 HydrophobicContact CB-CD2 4.25Å; L96-L131 HydrophobicContact CD2-CD1 3.83Å; L96-L131 HydrophobicContact CD2-CD2 4.07Å; L96-L131 HydrophobicContact CD2-CG 4.26Å; L96-L131 HydrophobicContact CG-CD1 3.89Å; L96-L131 HydrophobicContact CG-CD2 4.09Å; L103-L131 HydrophobicContact CD2-CD1 4.13Å; L106-L131 HydrophobicContact CD2-CD1 3.96Å; V127-L131 HydrophobicContact CG1-CD1 4.16Å; V127-L131 WeakPolarHBondContact O-CG 3.27Å; V127-L131 PolarHBondContact O-N 3.36Å; V127-L131 VanDerWaalsContact O-N 3.08Å; L128-L131 PolarHBondContact O-N 3.32Å; L131-K135 CarbonylContact O-C 3.57Å; L131-K135 WeakPolarHBondContact O-CA 3.45Å; L131-K135 PolarHBondContact O-N 2.82Å; L131-I139 HydrophobicContact CB-CD1 3.87Å; L131-I139 HydrophobicContact CB-CG1 3.87Å; L131-I139 HydrophobicContact CD1-CD1 4.36Å |
| 132 | I | 92.8 | Very high | 94 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 173.1 | -70.9 | 157.2 | 0 | 0 | 0 | 110.7 | L128 S129 P136 I139 L165 M169 I173 | L128-I132 HydrophobicContact CG-CD1 4.13Å; L128-I132 WeakPolarHBondContact O-CD1 3.48Å; L128-I132 VanDerWaalsContact O-CG1 3.22Å; L128-I132 WeakPolarHBondContact O-CG1 3.14Å; L128-I132 PolarHBondContact O-N 3.34Å; S129-I132 PolarHBondContact O-N 3.15Å; I132-P136 WeakPolarHBondContact O-CA 3.26Å; I132-P136 WeakPolarHBondContact O-CB 3.47Å; I132-P136 WeakPolarHBondContact O-CD 3.46Å; I132-I139 HydrophobicContact CG1-CG2 3.88Å; I132-L165 HydrophobicContact CD1-CD1 3.89Å; I132-M169 HydrophobicContact CD1-CG 3.55Å; I132-M169 HydrophobicContact CD1-SD 4.44Å; I132-I173 HydrophobicContact CG2-CD1 4.46Å; I132-I173 HydrophobicContact CG2-CG1 3.81Å |
| 133 | G | 90.3 | Very high | 94 | Very high | 32 Ų | 32 | 30.3 Ų | 30.3 | 33% | 0.33 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -65.9 | -45 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S129 I130 | S129-G133 PolarHBondContact O-N 3.03Å; I130-G133 PolarHBondContact O-N 2.7Å |
| 134 | R | 89.9 | Confident | 93.9 | Very high | 101 Ų | 101 | 33.9 Ų | 33.9 | 38% | 0.381 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -86.5 | -29.2 | -173.7 | -71.7 | -175 | 171.4 | 135.1 | 2 | 115.3 | S87 D88 N93 I130 P136 | S87-R134 PolarHBondContact O-NH1 3.23Å; D88-R134 IonicContact OD1-CZ 2.72Å; D88-R134 IonicContact OD1-NH2 3.17Å; D88-R134 PolarHBondContact OD1-NH2 2.82Å; N93-R134 VanDerWaalsContact CG-NH1 3.3Å; N93-R134 PolarHBondContact ND2-NH1 3.17Å; N93-R134 PolarHBondContact OD1-NH1 3.19Å; I130-R134 WeakPolarHBondContact O-CB 3.06Å; I130-R134 PolarHBondContact O-N 3.25Å; R134-P136 VanDerWaalsContact C-CD 3.45Å |
| 135 | K | 90.5 | Very high | 93.8 | Very high | 39 Ų | 39 | 40.3 Ų | 40.3 | 17% | 0.17 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -132.8 | 47.8 | -177 | -63.2 | -74.7 | -168.9 | 162.3 | 0 | 111.5 | D94 E98 L131 E137 Q138 I139 | D94-K135 WeakPolarHBondContact OD1-CE 3.36Å; D94-K135 IonicContact OD1-NZ 2.71Å; D94-K135 PolarHBondContact OD1-NZ 3.13Å; E98-K135 IonicContact OE1-NZ 3.53Å; E98-K135 PolarHBondContact OE1-NZ 3.05Å; L131-K135 CarbonylContact O-C 3.57Å; L131-K135 WeakPolarHBondContact O-CA 3.45Å; L131-K135 PolarHBondContact O-N 2.82Å; K135-E137 VanDerWaalsContact C-N 3.32Å; K135-E137 PolarHBondContact O-N 3.3Å; K135-Q138 HydrophobicContact CB-CB 4.3Å; K135-Q138 PolarHBondContact O-N 3.26Å; K135-I139 HydrophobicContact CB-CG1 4.18Å; K135-I139 WeakPolarHBondContact O-CG1 3.5Å; K135-I139 PolarHBondContact O-N 3.4Å |
| 136 | P | 92.4 | Very high | 93.7 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 12% | 0.117 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.3 | -44.5 | -167.8 | 20.9 | -32.9 | 0 | 0 | 0 | 112.6 | I132 R134 Q138 V140 I173 P175 L178 | I132-P136 WeakPolarHBondContact O-CA 3.26Å; I132-P136 WeakPolarHBondContact O-CB 3.47Å; I132-P136 WeakPolarHBondContact O-CD 3.46Å; R134-P136 VanDerWaalsContact C-CD 3.45Å; P136-Q138 PolarHBondContact O-N 2.98Å; P136-V140 VanDerWaalsContact O-CB 3.24Å; P136-V140 WeakPolarHBondContact O-CB 3.4Å; P136-V140 WeakPolarHBondContact O-CG2 3.24Å; P136-V140 PolarHBondContact O-N 3.47Å; P136-I173 HydrophobicContact CB-CG2 4.25Å; P136-P175 HydrophobicContact CG-CG 4.36Å; P136-L178 HydrophobicContact CB-CD2 3.73Å; P136-L178 HydrophobicContact CG-CD2 4.31Å |
| 137 | E | 92.3 | Very high | 93.5 | Very high | 127 Ų | 127 | 45.8 Ų | 45.8 | 59% | 0.593 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -60.1 | -46.1 | 177.9 | -72.2 | -176.2 | -167 | 0 | 0 | 113.1 | K135 N141 L178 | K135-E137 VanDerWaalsContact C-N 3.32Å; K135-E137 PolarHBondContact O-N 3.3Å; E137-N141 WeakPolarHBondContact O-CB 3.2Å; E137-N141 PolarHBondContact O-N 3.19Å; E137-N141 PolarHBondContact O-ND2 2.89Å; E137-L178 HydrophobicContact CB-CD2 4.41Å; E137-L178 HydrophobicContact CG-CD2 3.76Å |
| 138 | Q | 93.6 | Very high | 93.4 | Very high | 75 Ų | 75 | 47.8 Ų | 47.8 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.2 | -45.3 | -177.4 | -65 | 179.5 | -9.8 | 0 | 0 | 110.6 | E98 K135 P136 N141 F142 | E98-Q138 VanDerWaalsContact CG-OE1 3.3Å; E98-Q138 PolarHBondContact OE1-NE2 3.46Å; E98-Q138 VanDerWaalsContact OE1-NE2 3.09Å; K135-Q138 HydrophobicContact CB-CB 4.3Å; K135-Q138 PolarHBondContact O-N 3.26Å; P136-Q138 PolarHBondContact O-N 2.98Å; Q138-N141 PolarHBondContact O-N 2.89Å; Q138-F142 PolarHBondContact O-N 2.8Å |
| 139 | I | 95.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.7 | -44.2 | -176.3 | -57.6 | -62 | 0 | 0 | 0 | 111.4 | L103 L128 L131 I132 K135 N141 F142 L143 | L103-I139 HydrophobicContact CD1-CD1 4.1Å; L103-I139 HydrophobicContact CD2-CD1 3.78Å; L128-I139 HydrophobicContact CD1-CG2 3.83Å; L131-I139 HydrophobicContact CB-CD1 3.87Å; L131-I139 HydrophobicContact CB-CG1 3.87Å; L131-I139 HydrophobicContact CD1-CD1 4.36Å; I132-I139 HydrophobicContact CG1-CG2 3.88Å; K135-I139 HydrophobicContact CB-CG1 4.18Å; K135-I139 WeakPolarHBondContact O-CG1 3.5Å; K135-I139 PolarHBondContact O-N 3.4Å; I139-N141 VanDerWaalsContact C-N 3.31Å; I139-N141 PolarHBondContact O-N 2.83Å; I139-F142 WeakPolarHBondContact O-CB 3.33Å; I139-F142 PolarHBondContact O-N 3.25Å; I139-F142 VanDerWaalsContact O-N 3.08Å; I139-L143 HydrophobicContact CG2-CD1 3.99Å; I139-L143 HydrophobicContact CG2-CG 4.31Å; I139-L143 WeakPolarHBondContact O-CG 3.44Å; I139-L143 PolarHBondContact O-N 3.46Å |
| 140 | V | 93.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 173.6 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | P136 F142 L143 R144 I173 L178 V182 | P136-V140 VanDerWaalsContact O-CB 3.24Å; P136-V140 WeakPolarHBondContact O-CB 3.4Å; P136-V140 WeakPolarHBondContact O-CG2 3.24Å; P136-V140 PolarHBondContact O-N 3.47Å; V140-F142 VanDerWaalsContact C-N 3.29Å; V140-F142 PolarHBondContact O-N 3.09Å; V140-L143 PolarHBondContact O-N 3.25Å; V140-R144 VanDerWaalsContact O-CB 3.24Å; V140-R144 WeakPolarHBondContact O-CB 3.2Å; V140-R144 PolarHBondContact O-N 2.9Å; V140-I173 HydrophobicContact CG2-CD1 3.88Å; V140-L178 HydrophobicContact CB-CD1 4.47Å; V140-L178 HydrophobicContact CG1-CD1 4.19Å; V140-V182 HydrophobicContact CB-CG2 4.32Å; V140-V182 HydrophobicContact CG1-CG2 3.54Å; V140-V182 HydrophobicContact CG2-CG2 3.72Å |
| 141 | N | 93.9 | Very high | 93.6 | Very high | 75 Ų | 75 | 48.8 Ų | 48.8 | 40% | 0.401 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -70.9 | -19.1 | 175.8 | -78.2 | -59.4 | 0 | 0 | 0 | 114.1 | E137 Q138 I139 K145 | E137-N141 WeakPolarHBondContact O-CB 3.2Å; E137-N141 PolarHBondContact O-N 3.19Å; E137-N141 PolarHBondContact O-ND2 2.89Å; Q138-N141 PolarHBondContact O-N 2.89Å; I139-N141 VanDerWaalsContact C-N 3.31Å; I139-N141 PolarHBondContact O-N 2.83Å; N141-K145 WeakPolarHBondContact O-CD 3.48Å; N141-K145 WeakPolarHBondContact O-CE 3.39Å; N141-K145 VanDerWaalsContact O-CG 3.23Å; N141-K145 WeakPolarHBondContact O-CG 3.44Å |
| 142 | F | 95.7 | Very high | 93.7 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 5% | 0.053 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -77.8 | -48.8 | 168.3 | 171 | -88.9 | 0 | 0 | 0 | 110.7 | E100 L103 M104 Y107 Q138 I139 V140 K145 | E100-F142 HydrophobicContact CG-CD2 4.16Å; E100-F142 HydrophobicContact CG-CE2 3.91Å; L103-F142 HydrophobicContact CB-CD1 4.39Å; L103-F142 HydrophobicContact CB-CD2 3.93Å; L103-F142 HydrophobicContact CB-CE1 4.06Å; L103-F142 HydrophobicContact CB-CE2 3.52Å; L103-F142 HydrophobicContact CB-CG 4.35Å; L103-F142 HydrophobicContact CB-CZ 3.62Å; L103-F142 HydrophobicContact CD1-CB 4.12Å; L103-F142 HydrophobicContact CD1-CD1 4.35Å; L103-F142 HydrophobicContact CD1-CD2 3.74Å; L103-F142 HydrophobicContact CD1-CE2 4.22Å; L103-F142 HydrophobicContact CD1-CG 3.82Å; M104-F142 HydrophobicContact CG-CE2 3.98Å; M104-F142 HydrophobicContact CG-CZ 4.07Å; M104-F142 HydrophobicContact SD-CE2 4Å; M104-F142 HydrophobicContact SD-CZ 3.74Å; Y107-F142 HydrophobicContact CD1-CZ 4.49Å; Y107-F142 HydrophobicContact CG-CE1 4.31Å; Q138-F142 PolarHBondContact O-N 2.8Å; I139-F142 WeakPolarHBondContact O-CB 3.33Å; I139-F142 PolarHBondContact O-N 3.25Å; I139-F142 VanDerWaalsContact O-N 3.08Å; V140-F142 VanDerWaalsContact C-N 3.29Å; V140-F142 PolarHBondContact O-N 3.09Å; F142-K145 WeakPolarHBondContact O-CB 3.22Å; F142-K145 PolarHBondContact O-N 2.93Å |
| 143 | L | 95.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.7 | -43.2 | -177.4 | -64.6 | 176 | 0 | 0 | 0 | 112.1 | I139 V140 K145 R146 F149 M169 W185 | I139-L143 HydrophobicContact CG2-CD1 3.99Å; I139-L143 HydrophobicContact CG2-CG 4.31Å; I139-L143 WeakPolarHBondContact O-CG 3.44Å; I139-L143 PolarHBondContact O-N 3.46Å; V140-L143 PolarHBondContact O-N 3.25Å; L143-K145 PolarHBondContact O-N 3.15Å; L143-K145 VanDerWaalsContact O-N 3.1Å; L143-R146 WeakPolarHBondContact O-CB 3.22Å; L143-R146 PolarHBondContact O-N 3.27Å; L143-F149 HydrophobicContact CB-CD1 4.28Å; L143-F149 HydrophobicContact CB-CE1 4.32Å; L143-F149 HydrophobicContact CD1-CE1 4.1Å; L143-F149 HydrophobicContact CD1-CE2 4.42Å; L143-F149 HydrophobicContact CD1-CZ 3.86Å; L143-F149 HydrophobicContact CD2-CD2 3.81Å; L143-F149 HydrophobicContact CD2-CE1 4.36Å; L143-F149 HydrophobicContact CD2-CE2 3.61Å; L143-F149 HydrophobicContact CD2-CG 4.26Å; L143-F149 HydrophobicContact CD2-CZ 3.89Å; L143-F149 HydrophobicContact CG-CE1 4.49Å; L143-F149 HydrophobicContact CG-CZ 4.35Å; L143-M169 HydrophobicContact CD1-CE 3.82Å; L143-M169 HydrophobicContact CD1-SD 4.29Å; L143-W185 HydrophobicContact CB-CH2 4.17Å |
| 144 | R | 93.8 | Very high | 94.2 | Very high | 91 Ų | 91 | 48.7 Ų | 48.7 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -15.7 | 176.6 | -172 | -177.9 | -76.3 | 164 | -7.2 | 113.7 | V140 R146 D181 W185 | V140-R144 VanDerWaalsContact O-CB 3.24Å; V140-R144 WeakPolarHBondContact O-CB 3.2Å; V140-R144 PolarHBondContact O-N 2.9Å; R144-R146 VanDerWaalsContact C-N 3.31Å; R144-D181 VanDerWaalsContact NH2-C 3.33Å; R144-D181 PolarHBondContact NH2-O 3.38Å; R144-W185 HydrophobicContact CB-CD2 4.49Å; R144-W185 HydrophobicContact CB-CZ2 4.34Å; R144-W185 HydrophobicContact CG-CD2 4.34Å; R144-W185 HydrophobicContact CG-CG 4.28Å |
| 145 | K | 94.6 | Very high | 94.4 | Very high | 135 Ų | 135 | 46.4 Ų | 46.4 | 59% | 0.587 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 0.7 | 172.3 | -67.8 | 167.5 | -172.1 | 164.1 | 0 | 113.5 | N141 F142 L143 | N141-K145 WeakPolarHBondContact O-CD 3.48Å; N141-K145 WeakPolarHBondContact O-CE 3.39Å; N141-K145 VanDerWaalsContact O-CG 3.23Å; N141-K145 WeakPolarHBondContact O-CG 3.44Å; F142-K145 WeakPolarHBondContact O-CB 3.22Å; F142-K145 PolarHBondContact O-N 2.93Å; L143-K145 PolarHBondContact O-N 3.15Å; L143-K145 VanDerWaalsContact O-N 3.1Å |
| 146 | R | 94.4 | Very high | 94.7 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 18% | 0.177 | 21% | 0.213 | C | C | . | . | trans | -115.7 | 101.3 | 179.4 | -49.9 | -56.4 | 175.6 | -145.8 | -5.4 | 108.5 | E100 M104 Y107 L143 R144 D148 F149 | E100-R146 IonicContact OE1-CZ 3.78Å; E100-R146 IonicContact OE1-NH1 2.66Å; E100-R146 IonicContact OE1-NH2 3.57Å; E100-R146 PolarHBondContact OE1-NH2 2.89Å; M104-R146 VanDerWaalsContact SD-CZ 3.51Å; M104-R146 PolarHBondContact SD-NE 3.38Å; M104-R146 PolarHBondContact SD-NH2 2.99Å; M104-R146 VanDerWaalsContact SD-NH2 3.35Å; Y107-R146 HydrophobicContact CE1-CG 4.37Å; Y107-R146 HydrophobicContact CE2-CB 3.97Å; Y107-R146 HydrophobicContact CE2-CG 3.97Å; L143-R146 WeakPolarHBondContact O-CB 3.22Å; L143-R146 PolarHBondContact O-N 3.27Å; R144-R146 VanDerWaalsContact C-N 3.31Å; R146-D148 PolarHBondContact O-N 3.35Å; R146-F149 HydrophobicContact CB-CB 4Å; R146-F149 WeakPolarHBondContact O-CB 3.35Å; R146-F149 PolarHBondContact O-N 2.81Å; R146-F149 VanDerWaalsContact O-N 3.15Å | ||
| 147 | D | 92.1 | Very high | 94.9 | Very high | 136 Ų | 136 | 43.9 Ų | 43.9 | 73% | 0.727 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.6 | 178.8 | 52.7 | -26.7 | 0 | 0 | 0 | 113 | ||
| 148 | D | 95 | Very high | 95 | Very high | 45 Ų | 45 | 38.8 Ų | 38.8 | 24% | 0.241 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.5 | 175.8 | 69 | -2.3 | 0 | 0 | 0 | 115.1 | Y107 K111 R146 V150 D151 L152 | Y107-D148 VanDerWaalsContact OH-CG 3.32Å; Y107-D148 PolarHBondContact OH-OD1 3.35Å; Y107-D148 PolarHBondContact OH-OD2 3.32Å; K111-D148 WeakPolarHBondContact CE-OD2 3.37Å; K111-D148 IonicContact NZ-OD1 3.06Å; K111-D148 IonicContact NZ-OD2 2.74Å; K111-D148 PolarHBondContact NZ-OD2 3.36Å; R146-D148 PolarHBondContact O-N 3.35Å; D148-V150 PolarHBondContact O-N 2.94Å; D148-D151 PolarHBondContact O-N 3.46Å; D148-L152 HydrophobicContact CB-CD1 4.29Å; D148-L152 HydrophobicContact CB-CG 4.42Å; D148-L152 WeakPolarHBondContact O-CB 3.32Å; D148-L152 VanDerWaalsContact O-CG 3.26Å; D148-L152 WeakPolarHBondContact O-CG 2.86Å; D148-L152 PolarHBondContact O-N 3.13Å |
| 149 | F | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.8 | -45.3 | -169.9 | 172.2 | -107 | 0 | 0 | 0 | 113.1 | Y107 L110 L143 R146 L152 M153 M169 W185 | Y107-F149 HydrophobicContact CD2-CD2 4.13Å; Y107-F149 HydrophobicContact CE2-CB 4.44Å; Y107-F149 HydrophobicContact CE2-CD2 4.32Å; L110-F149 HydrophobicContact CD1-CD2 3.98Å; L110-F149 HydrophobicContact CD1-CE2 3.76Å; L143-F149 HydrophobicContact CB-CD1 4.28Å; L143-F149 HydrophobicContact CB-CE1 4.32Å; L143-F149 HydrophobicContact CD1-CE1 4.1Å; L143-F149 HydrophobicContact CD1-CE2 4.42Å; L143-F149 HydrophobicContact CD1-CZ 3.86Å; L143-F149 HydrophobicContact CD2-CD2 3.81Å; L143-F149 HydrophobicContact CD2-CE1 4.36Å; L143-F149 HydrophobicContact CD2-CE2 3.61Å; L143-F149 HydrophobicContact CD2-CG 4.26Å; L143-F149 HydrophobicContact CD2-CZ 3.89Å; L143-F149 HydrophobicContact CG-CE1 4.49Å; L143-F149 HydrophobicContact CG-CZ 4.35Å; R146-F149 HydrophobicContact CB-CB 4Å; R146-F149 WeakPolarHBondContact O-CB 3.35Å; R146-F149 PolarHBondContact O-N 2.81Å; R146-F149 VanDerWaalsContact O-N 3.15Å; F149-L152 PolarHBondContact O-N 2.93Å; F149-M153 HydrophobicContact CD1-SD 4.22Å; F149-M153 HydrophobicContact CD2-CG 4.45Å; F149-M153 HydrophobicContact CE1-CG 4.08Å; F149-M153 HydrophobicContact CE1-SD 3.36Å; F149-M153 WeakPolarHBondContact CE1-SD 3.4Å; F149-M153 HydrophobicContact CE2-CG 3.97Å; F149-M153 HydrophobicContact CE2-SD 4.14Å; F149-M153 HydrophobicContact CZ-CE 4.36Å; F149-M153 HydrophobicContact CZ-CG 3.78Å; F149-M153 HydrophobicContact CZ-SD 3.33Å; F149-M153 WeakPolarHBondContact CZ-SD 3.5Å; F149-M153 WeakPolarHBondContact O-CG 3.35Å; F149-M153 PolarHBondContact O-N 3.44Å; F149-M169 HydrophobicContact CE1-CE 3.87Å; F149-M169 HydrophobicContact CE1-SD 3.88Å; F149-M169 HydrophobicContact CZ-CE 4.31Å; F149-M169 HydrophobicContact CZ-SD 3.84Å; F149-W185 AromaticContact CD1-CH2 3.77Å; F149-W185 HydrophobicContact CD1-CH2 3.77Å; F149-W185 HydrophobicContact CD1-CZ2 4.24Å; F149-W185 HydrophobicContact CE1-CH2 4.02Å |
| 150 | V | 95.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.6 | -37 | -179.8 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | D148 L152 M153 I154 W185 L186 E189 V191 | D148-V150 PolarHBondContact O-N 2.94Å; V150-L152 VanDerWaalsContact C-N 3.32Å; V150-L152 PolarHBondContact O-N 3.23Å; V150-M153 PolarHBondContact O-N 3.07Å; V150-I154 HydrophobicContact CG1-CG1 4.46Å; V150-I154 VanDerWaalsContact O-CG1 3.25Å; V150-I154 WeakPolarHBondContact O-CG1 3.24Å; V150-I154 PolarHBondContact O-N 3.16Å; V150-W185 HydrophobicContact CG2-CZ2 4.26Å; V150-L186 HydrophobicContact CG2-CD2 4.12Å; V150-E189 HydrophobicContact CB-CB 4.22Å; V150-E189 HydrophobicContact CG1-CB 4.25Å; V150-E189 HydrophobicContact CG2-CB 3.86Å; V150-E189 HydrophobicContact CG2-CG 3.96Å; V150-V191 HydrophobicContact CG1-CB 4.44Å; V150-V191 HydrophobicContact CG1-CG2 4.27Å |
| 151 | D | 95.6 | Very high | 95.2 | Very high | 81 Ų | 81 | 39.5 Ų | 39.5 | 43% | 0.433 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 171.7 | -80.9 | -37.8 | 0 | 0 | 0 | 111.9 | D148 I154 K155 R194 | D148-D151 PolarHBondContact O-N 3.46Å; D151-I154 PolarHBondContact O-N 3.27Å; D151-K155 VanDerWaalsContact O-CB 3.27Å; D151-K155 WeakPolarHBondContact O-CB 3.4Å; D151-K155 PolarHBondContact O-N 3.17Å; D151-R194 IonicContact OD1-CZ 2.74Å; D151-R194 IonicContact OD1-NE 2.99Å; D151-R194 PolarHBondContact OD1-NE 3.28Å; D151-R194 IonicContact OD1-NH2 2.71Å; D151-R194 PolarHBondContact OD1-NH2 2.82Å; D151-R194 IonicContact OD2-CZ 2.78Å; D151-R194 IonicContact OD2-NH2 2.62Å; D151-R194 PolarHBondContact OD2-NH2 2.98Å |
| 152 | L | 96.6 | Very high | 95.4 | Very high | 19 Ų | 19 | 36 Ų | 36 | 10% | 0.099 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.1 | -32.3 | 177.6 | -67.7 | 173.5 | 0 | 0 | 0 | 113 | Y107 L110 K111 D148 F149 V150 K155 H156 | Y107-L152 HydrophobicContact CE2-CD1 4.21Å; L110-L152 HydrophobicContact CB-CB 4.07Å; L110-L152 HydrophobicContact CB-CD1 4.36Å; K111-L152 HydrophobicContact CD-CD1 4.4Å; K111-L152 HydrophobicContact CG-CD1 3.88Å; D148-L152 HydrophobicContact CB-CD1 4.29Å; D148-L152 HydrophobicContact CB-CG 4.42Å; D148-L152 WeakPolarHBondContact O-CB 3.32Å; D148-L152 VanDerWaalsContact O-CG 3.26Å; D148-L152 WeakPolarHBondContact O-CG 2.86Å; D148-L152 PolarHBondContact O-N 3.13Å; F149-L152 PolarHBondContact O-N 2.93Å; V150-L152 VanDerWaalsContact C-N 3.32Å; V150-L152 PolarHBondContact O-N 3.23Å; L152-K155 HydrophobicContact CD2-CD 4.06Å; L152-H156 PolarHBondContact O-CD2 2.86Å |
| 153 | M | 95.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.9 | -47.1 | 169.1 | -69.2 | -170.2 | 83.8 | 0 | 0 | 111.2 | F149 V150 H156 I157 I162 L165 L166 M169 | F149-M153 HydrophobicContact CD1-SD 4.22Å; F149-M153 HydrophobicContact CD2-CG 4.45Å; F149-M153 HydrophobicContact CE1-CG 4.08Å; F149-M153 HydrophobicContact CE1-SD 3.36Å; F149-M153 WeakPolarHBondContact CE1-SD 3.4Å; F149-M153 HydrophobicContact CE2-CG 3.97Å; F149-M153 HydrophobicContact CE2-SD 4.14Å; F149-M153 HydrophobicContact CZ-CE 4.36Å; F149-M153 HydrophobicContact CZ-CG 3.78Å; F149-M153 HydrophobicContact CZ-SD 3.33Å; F149-M153 WeakPolarHBondContact CZ-SD 3.5Å; F149-M153 WeakPolarHBondContact O-CG 3.35Å; F149-M153 PolarHBondContact O-N 3.44Å; V150-M153 PolarHBondContact O-N 3.07Å; M153-H156 CarbonylContact O-C 3.5Å; M153-H156 PolarHBondContact O-N 2.84Å; M153-I157 PolarHBondContact O-N 3.19Å; M153-I157 VanDerWaalsContact O-N 3.13Å; M153-I162 HydrophobicContact CB-CG2 4.41Å; M153-L165 HydrophobicContact CE-CB 4.42Å; M153-L165 HydrophobicContact CE-CD2 4.16Å; M153-L165 HydrophobicContact CE-CG 4.06Å; M153-L166 HydrophobicContact CE-CB 3.74Å; M153-L166 HydrophobicContact CE-CD1 4.12Å; M153-L166 HydrophobicContact SD-CD1 4.44Å; M153-M169 HydrophobicContact CE-SD 4.21Å; M153-M169 HydrophobicContact SD-SD 4.19Å |
| 154 | I | 96.4 | Very high | 95.3 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.2 | -36.9 | -178.1 | -63.3 | -72.9 | 0 | 0 | 0 | 111.4 | V150 D151 H156 I157 V191 R194 L195 M198 | V150-I154 HydrophobicContact CG1-CG1 4.46Å; V150-I154 VanDerWaalsContact O-CG1 3.25Å; V150-I154 WeakPolarHBondContact O-CG1 3.24Å; V150-I154 PolarHBondContact O-N 3.16Å; D151-I154 PolarHBondContact O-N 3.27Å; I154-H156 PolarHBondContact O-N 2.98Å; I154-H156 VanDerWaalsContact O-N 3.09Å; I154-I157 WeakPolarHBondContact O-CG2 3.36Å; I154-I157 PolarHBondContact O-N 3.41Å; I154-V191 HydrophobicContact CD1-CG2 4.41Å; I154-R194 HydrophobicContact CD1-CB 4.08Å; I154-R194 HydrophobicContact CG1-CB 3.92Å; I154-R194 HydrophobicContact CG2-CB 4.29Å; I154-L195 HydrophobicContact CD1-CD2 3.59Å; I154-L195 HydrophobicContact CD1-CG 3.73Å; I154-M198 HydrophobicContact CG2-CE 4.04Å; I154-M198 HydrophobicContact CG2-CG 3.78Å; I154-M198 HydrophobicContact CG2-SD 3.95Å |
| 155 | K | 95.8 | Very high | 95.4 | Very high | 53 Ų | 53 | 34.2 Ų | 34.2 | 23% | 0.23 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -48.1 | -37.7 | 171.4 | 179.1 | -175.1 | -180 | -172.5 | 0 | 112 | N112 D113 P114 D151 L152 R207 | N112-K155 PolarHBondContact O-NZ 3.5Å; D113-K155 WeakPolarHBondContact OD1-CE 3.35Å; D113-K155 IonicContact OD1-NZ 3.5Å; D113-K155 PolarHBondContact OD1-NZ 3.16Å; P114-K155 HydrophobicContact CG-CG 3.97Å; D151-K155 VanDerWaalsContact O-CB 3.27Å; D151-K155 WeakPolarHBondContact O-CB 3.4Å; D151-K155 PolarHBondContact O-N 3.17Å; L152-K155 HydrophobicContact CD2-CD 4.06Å; K155-R207 PolarHBondContact O-NH2 3.47Å |
| 156 | H | 96.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 12.8 | -171.7 | -63.1 | -55.7 | 0 | 0 | 0 | 114.6 | L110 N112 L116 L152 M153 I154 G158 T159 I162 | L110-H156 PolarHBondContact O-CD2 2.99Å; L110-H156 PolarHBondContact O-NE2 2.75Å; N112-H156 PolarHBondContact O-CE1 2.79Å; N112-H156 PolarHBondContact O-NE2 2.89Å; N112-H156 VanDerWaalsContact O-NE2 3.07Å; L116-H156 HydrophobicContact CD1-CB 3.75Å; L116-H156 HydrophobicContact CG-CB 4.33Å; L152-H156 PolarHBondContact O-CD2 2.86Å; M153-H156 CarbonylContact O-C 3.5Å; M153-H156 PolarHBondContact O-N 2.84Å; I154-H156 PolarHBondContact O-N 2.98Å; I154-H156 VanDerWaalsContact O-N 3.09Å; H156-G158 PolarHBondContact O-N 3.49Å; H156-G158 VanDerWaalsContact O-N 3.07Å; H156-T159 PolarHBondContact O-N 3.32Å; H156-I162 HydrophobicContact CB-CG1 4.19Å; H156-I162 HydrophobicContact CB-CG2 4.43Å |
| 157 | I | 96 | Very high | 95.4 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.7 | -174.7 | -162.2 | 63.7 | 0 | 0 | 0 | 113.9 | M153 I154 T159 M163 L195 M198 R207 N210 | M153-I157 PolarHBondContact O-N 3.19Å; M153-I157 VanDerWaalsContact O-N 3.13Å; I154-I157 WeakPolarHBondContact O-CG2 3.36Å; I154-I157 PolarHBondContact O-N 3.41Å; I157-T159 PolarHBondContact O-N 2.88Å; I157-M163 HydrophobicContact CD1-CB 3.98Å; I157-M163 HydrophobicContact CD1-CG 4.35Å; I157-L195 HydrophobicContact CD1-CD2 4.34Å; I157-L195 HydrophobicContact CG1-CD2 4.1Å; I157-M198 HydrophobicContact CG2-CG 4.06Å; I157-R207 HydrophobicContact CG2-CG 4.25Å; I157-N210 HydrophobicContact CG1-CB 4.42Å; I157-N210 WeakPolarHBondContact O-CB 3.39Å; I157-N210 PolarHBondContact O-ND2 3.3Å |
| 158 | G | 94.7 | Very high | 95.4 | Very high | 20 Ų | 20 | 24.2 Ų | 24.2 | 21% | 0.206 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | H156 S160 N210 | H156-G158 PolarHBondContact O-N 3.49Å; H156-G158 VanDerWaalsContact O-N 3.07Å; G158-S160 PolarHBondContact O-N 2.61Å; G158-N210 PolarHBondContact O-ND2 3.38Å |
| 159 | T | 96.1 | Very high | 95.2 | Very high | 19 Ų | 19 | 22.1 Ų | 22.1 | 12% | 0.117 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -87.5 | 107.4 | 169.6 | -54.9 | 0 | 0 | 0 | 0 | 109.3 | A121 H156 I157 A161 I162 | A121-T159 HydrophobicContact CB-CG2 3.64Å; H156-T159 PolarHBondContact O-N 3.32Å; I157-T159 PolarHBondContact O-N 2.88Å; T159-A161 HydrophobicContact CG2-CB 4.5Å; T159-A161 PolarHBondContact O-N 3.49Å; T159-I162 HydrophobicContact CG2-CG1 4.46Å; T159-I162 WeakPolarHBondContact O-CB 3.41Å; T159-I162 PolarHBondContact O-N 3.09Å |
| 160 | S | 95.1 | Very high | 94.9 | Very high | 58 Ų | 58 | 22.4 Ų | 22.4 | 41% | 0.406 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -58.7 | -23.1 | -170.1 | -47.3 | 0 | 0 | 0 | 0 | 114.9 | G158 I162 M163 D164 N210 | G158-S160 PolarHBondContact O-N 2.61Å; S160-I162 PolarHBondContact O-N 2.75Å; S160-M163 WeakPolarHBondContact O-CB 3.25Å; S160-M163 PolarHBondContact O-N 2.84Å; S160-D164 PolarHBondContact O-N 2.88Å; S160-N210 PolarHBondContact N-ND2 2.72Å; S160-N210 PolarHBondContact OG-ND2 2.67Å; S160-N210 VanDerWaalsContact OG-ND2 3.16Å; S160-N210 PolarHBondContact OG-OD1 3.39Å |
| 161 | A | 96 | Very high | 94.6 | Very high | 16 Ų | 16 | 25.1 Ų | 25.1 | 13% | 0.132 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.4 | -26.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A121 S125 T159 L165 | A121-A161 HydrophobicContact CB-CB 4.1Å; A121-A161 WeakPolarHBondContact O-CB 3.4Å; S125-A161 WeakPolarHBondContact CB-O 3.47Å; S125-A161 PolarHBondContact OG-O 3.08Å; T159-A161 HydrophobicContact CG2-CB 4.5Å; T159-A161 PolarHBondContact O-N 3.49Å; A161-L165 PolarHBondContact O-N 3.17Å |
| 162 | I | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -82.5 | -34 | 175 | -52.7 | -55.5 | 0 | 0 | 0 | 110.8 | L110 L116 F124 M153 H156 T159 S160 L165 L166 | L110-I162 HydrophobicContact CD2-CD1 3.97Å; L116-I162 HydrophobicContact CD1-CD1 4.09Å; L116-I162 HydrophobicContact CD1-CG1 4.08Å; F124-I162 HydrophobicContact CD1-CD1 3.98Å; F124-I162 HydrophobicContact CE1-CD1 3.93Å; M153-I162 HydrophobicContact CB-CG2 4.41Å; H156-I162 HydrophobicContact CB-CG1 4.19Å; H156-I162 HydrophobicContact CB-CG2 4.43Å; T159-I162 HydrophobicContact CG2-CG1 4.46Å; T159-I162 WeakPolarHBondContact O-CB 3.41Å; T159-I162 PolarHBondContact O-N 3.09Å; S160-I162 PolarHBondContact O-N 2.75Å; I162-L165 WeakPolarHBondContact O-CB 3.36Å; I162-L165 PolarHBondContact O-N 2.84Å; I162-L166 PolarHBondContact O-N 2.65Å; I162-L166 VanDerWaalsContact O-N 3.09Å |
| 163 | M | 95.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.02 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62 | -48.1 | 168.7 | -175.3 | -152.4 | 70.3 | 0 | 0 | 111.2 | I157 S160 L165 L166 L167 N210 Q213 S214 | I157-M163 HydrophobicContact CD1-CB 3.98Å; I157-M163 HydrophobicContact CD1-CG 4.35Å; S160-M163 WeakPolarHBondContact O-CB 3.25Å; S160-M163 PolarHBondContact O-N 2.84Å; M163-L165 VanDerWaalsContact C-N 3.27Å; M163-L165 PolarHBondContact O-N 3.19Å; M163-L166 WeakPolarHBondContact O-CB 3.23Å; M163-L166 PolarHBondContact O-N 2.84Å; M163-L166 VanDerWaalsContact O-N 3.14Å; M163-L167 HydrophobicContact CE-CD1 4.43Å; M163-L167 PolarHBondContact O-N 2.77Å; M163-L167 VanDerWaalsContact O-N 3.08Å; M163-N210 HydrophobicContact CB-CB 4.15Å; M163-N210 HydrophobicContact CG-CB 4.04Å; M163-N210 HydrophobicContact SD-CB 3.74Å; M163-Q213 HydrophobicContact CE-CG 4.41Å; M163-Q213 HydrophobicContact SD-CB 3.96Å; M163-Q213 HydrophobicContact SD-CG 4.04Å; M163-S214 VanDerWaalsContact CG-OG 3.26Å; M163-S214 WeakPolarHBondContact CG-OG 3.48Å |
| 164 | D | 94.7 | Very high | 93.4 | Very high | 65 Ų | 65 | 30.3 Ų | 30.3 | 35% | 0.348 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59 | -37.6 | 174.2 | -81.7 | -2 | 0 | 0 | 0 | 112 | S160 L167 R168 | S160-D164 PolarHBondContact O-N 2.88Å; D164-L167 PolarHBondContact O-N 2.97Å; D164-R168 WeakPolarHBondContact O-CB 2.95Å; D164-R168 VanDerWaalsContact O-CG 3.27Å; D164-R168 WeakPolarHBondContact O-CG 3.36Å; D164-R168 PolarHBondContact O-N 2.68Å |
| 165 | L | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 175.7 | 177.3 | 65.1 | 0 | 0 | 0 | 111.5 | F124 L128 I132 M153 A161 I162 M163 R168 M169 | F124-L165 HydrophobicContact CE1-CD2 3.67Å; F124-L165 HydrophobicContact CZ-CD2 4.24Å; L128-L165 HydrophobicContact CB-CD1 4.2Å; L128-L165 HydrophobicContact CD2-CD1 4.15Å; L128-L165 HydrophobicContact CD2-CD2 3.88Å; L128-L165 HydrophobicContact CG-CD1 4.07Å; I132-L165 HydrophobicContact CD1-CD1 3.89Å; M153-L165 HydrophobicContact CE-CB 4.42Å; M153-L165 HydrophobicContact CE-CD2 4.16Å; M153-L165 HydrophobicContact CE-CG 4.06Å; A161-L165 PolarHBondContact O-N 3.17Å; I162-L165 WeakPolarHBondContact O-CB 3.36Å; I162-L165 PolarHBondContact O-N 2.84Å; M163-L165 VanDerWaalsContact C-N 3.27Å; M163-L165 PolarHBondContact O-N 3.19Å; L165-R168 PolarHBondContact O-N 2.95Å; L165-M169 WeakPolarHBondContact O-CG 3.11Å; L165-M169 PolarHBondContact O-N 2.83Å |
| 166 | L | 95.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.8 | -48 | 175.1 | -178.6 | 61.8 | 0 | 0 | 0 | 111.1 | M153 I162 M163 R168 M169 L170 V191 L195 | M153-L166 HydrophobicContact CE-CB 3.74Å; M153-L166 HydrophobicContact CE-CD1 4.12Å; M153-L166 HydrophobicContact SD-CD1 4.44Å; I162-L166 PolarHBondContact O-N 2.65Å; I162-L166 VanDerWaalsContact O-N 3.09Å; M163-L166 WeakPolarHBondContact O-CB 3.23Å; M163-L166 PolarHBondContact O-N 2.84Å; M163-L166 VanDerWaalsContact O-N 3.14Å; L166-R168 VanDerWaalsContact C-N 3.31Å; L166-R168 PolarHBondContact O-N 2.93Å; L166-M169 PolarHBondContact O-N 3.28Å; L166-L170 WeakPolarHBondContact O-CG 3.12Å; L166-L170 PolarHBondContact O-N 2.99Å; L166-V191 HydrophobicContact CD1-CG2 4.32Å; L166-V191 HydrophobicContact CD2-CG2 4.37Å; L166-L195 HydrophobicContact CD2-CD1 4.13Å |
| 167 | L | 93.8 | Very high | 92.1 | Very high | 22 Ų | 22 | 40.7 Ų | 40.7 | 12% | 0.115 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65 | -33.6 | 178.5 | -63.7 | 178.3 | 0 | 0 | 0 | 112.4 | M163 D164 L170 T171 E217 | M163-L167 HydrophobicContact CE-CD1 4.43Å; M163-L167 PolarHBondContact O-N 2.77Å; M163-L167 VanDerWaalsContact O-N 3.08Å; D164-L167 PolarHBondContact O-N 2.97Å; L167-L170 HydrophobicContact CD2-CD1 4.3Å; L167-L170 PolarHBondContact O-N 2.94Å; L167-T171 WeakPolarHBondContact O-CG2 3.31Å; L167-T171 PolarHBondContact O-N 2.98Å; L167-T171 PolarHBondContact O-OG1 2.76Å; L167-E217 HydrophobicContact CD1-CB 4.06Å; L167-E217 HydrophobicContact CD1-CG 4.26Å; L167-E217 HydrophobicContact CD2-CB 3.86Å |
| 168 | R | 92.3 | Very high | 91.8 | Very high | 81 Ų | 81 | 41.5 Ų | 41.5 | 31% | 0.306 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.5 | -33.8 | 172.7 | -73.2 | 178 | -169.1 | 153.3 | 10.6 | 113.6 | S129 D164 L165 L166 L170 T171 C172 | S129-R168 WeakPolarHBondContact OG-CD 3.34Å; S129-R168 PolarHBondContact OG-NH1 2.87Å; D164-R168 WeakPolarHBondContact O-CB 2.95Å; D164-R168 VanDerWaalsContact O-CG 3.27Å; D164-R168 WeakPolarHBondContact O-CG 3.36Å; D164-R168 PolarHBondContact O-N 2.68Å; L165-R168 PolarHBondContact O-N 2.95Å; L166-R168 VanDerWaalsContact C-N 3.31Å; L166-R168 PolarHBondContact O-N 2.93Å; R168-L170 PolarHBondContact O-N 2.75Å; R168-T171 WeakPolarHBondContact CA-OG1 3.15Å; R168-T171 PolarHBondContact O-N 2.88Å; R168-C172 WeakPolarHBondContact O-CB 3.33Å; R168-C172 PolarHBondContact O-N 2.79Å |
| 169 | M | 90.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -27.2 | 171.6 | -75.2 | -176.3 | 69 | 0 | 0 | 112.8 | I132 L143 F149 M153 L165 L166 I173 W185 | I132-M169 HydrophobicContact CD1-CG 3.55Å; I132-M169 HydrophobicContact CD1-SD 4.44Å; L143-M169 HydrophobicContact CD1-CE 3.82Å; L143-M169 HydrophobicContact CD1-SD 4.29Å; F149-M169 HydrophobicContact CE1-CE 3.87Å; F149-M169 HydrophobicContact CE1-SD 3.88Å; F149-M169 HydrophobicContact CZ-CE 4.31Å; F149-M169 HydrophobicContact CZ-SD 3.84Å; M153-M169 HydrophobicContact CE-SD 4.21Å; M153-M169 HydrophobicContact SD-SD 4.19Å; L165-M169 WeakPolarHBondContact O-CG 3.11Å; L165-M169 PolarHBondContact O-N 2.83Å; L166-M169 PolarHBondContact O-N 3.28Å; M169-I173 VanDerWaalsContact O-CD1 3.27Å; M169-I173 WeakPolarHBondContact O-CD1 3.24Å; M169-W185 HydrophobicContact CE-CH2 4.26Å; M169-W185 HydrophobicContact CE-CZ3 3.81Å |
| 170 | L | 89.4 | Confident | 91.3 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -83.3 | -24.7 | 176.5 | -60.1 | 170 | 0 | 0 | 0 | 113.3 | L166 L167 R168 L183 L186 I218 L238 | L166-L170 WeakPolarHBondContact O-CG 3.12Å; L166-L170 PolarHBondContact O-N 2.99Å; L167-L170 HydrophobicContact CD2-CD1 4.3Å; L167-L170 PolarHBondContact O-N 2.94Å; R168-L170 PolarHBondContact O-N 2.75Å; L170-L183 HydrophobicContact CD2-CD2 3.57Å; L170-L186 HydrophobicContact CD2-CD1 3.72Å; L170-I218 HydrophobicContact CD1-CD1 4.22Å; L170-I218 HydrophobicContact CD1-CG1 3.59Å; L170-L238 HydrophobicContact CD2-CD1 3.81Å |
| 171 | T | 88.3 | Confident | 91.1 | Very high | 61 Ų | 61 | 44.1 Ų | 44.1 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -115.2 | -41.6 | -168 | 50.4 | 0 | 0 | 0 | 0 | 114.6 | L167 R168 I173 L221 | L167-T171 WeakPolarHBondContact O-CG2 3.31Å; L167-T171 PolarHBondContact O-N 2.98Å; L167-T171 PolarHBondContact O-OG1 2.76Å; R168-T171 WeakPolarHBondContact CA-OG1 3.15Å; R168-T171 PolarHBondContact O-N 2.88Å; T171-I173 PolarHBondContact O-N 2.76Å; T171-L221 HydrophobicContact CG2-CD1 3.57Å; T171-L221 HydrophobicContact CG2-CD2 3.62Å; T171-L221 HydrophobicContact CG2-CG 4.2Å |
| 172 | C | 88.3 | Confident | 91 | Very high | 52 Ų | 52 | 43.4 Ų | 43.4 | 35% | 0.351 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -80.5 | 4.1 | -173.5 | -58.8 | 0 | 0 | 0 | 0 | 114.5 | R168 E174 | R168-C172 WeakPolarHBondContact O-CB 3.33Å; R168-C172 PolarHBondContact O-N 2.79Å; C172-E174 PolarHBondContact O-N 2.92Å |
| 173 | I | 88.5 | Confident | 90.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -88.8 | 101.7 | 174 | -60.4 | -179.1 | 0 | 0 | 0 | 108.2 | I132 P136 V140 M169 T171 L178 R179 V182 | I132-I173 HydrophobicContact CG2-CD1 4.46Å; I132-I173 HydrophobicContact CG2-CG1 3.81Å; P136-I173 HydrophobicContact CB-CG2 4.25Å; V140-I173 HydrophobicContact CG2-CD1 3.88Å; M169-I173 VanDerWaalsContact O-CD1 3.27Å; M169-I173 WeakPolarHBondContact O-CD1 3.24Å; T171-I173 PolarHBondContact O-N 2.76Å; I173-L178 HydrophobicContact CG2-CB 4.17Å; I173-L178 HydrophobicContact CG2-CD2 4.04Å; I173-L178 HydrophobicContact CG2-CG 4.04Å; I173-R179 HydrophobicContact CB-CB 4.31Å; I173-R179 HydrophobicContact CB-CG 4.46Å; I173-R179 HydrophobicContact CG2-CB 4.08Å; I173-R179 VanDerWaalsContact O-CZ 3.27Å; I173-R179 PolarHBondContact O-NE 3.38Å; I173-R179 PolarHBondContact O-NH2 3.23Å; I173-V182 HydrophobicContact CD1-CB 4.21Å; I173-V182 HydrophobicContact CD1-CG1 4.22Å; I173-V182 HydrophobicContact CD1-CG2 3.78Å | ||
| 174 | E | 85.4 | Confident | 90.7 | Very high | 161 Ų | 161 | 46.3 Ų | 46.3 | 75% | 0.752 | 23% | 0.232 | S | C | * | . | trans | -64.1 | -45.1 | 179.6 | -63.4 | 178.4 | -179.7 | 0 | 0 | 114 | C172 Q176 R179 | C172-E174 PolarHBondContact O-N 2.92Å; E174-Q176 PolarHBondContact O-N 3.16Å; E174-R179 PolarHBondContact O-NH2 3.03Å | ||
| 175 | P | 88.1 | Confident | 90.8 | Very high | 55 Ų | 55 | 43.8 Ų | 43.8 | 36% | 0.357 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -68.8 | 111 | -176 | -19.2 | 33.4 | 0 | 0 | 0 | 111.4 | P136 Q177 L178 R179 | P136-P175 HydrophobicContact CG-CG 4.36Å; P175-Q177 VanDerWaalsContact C-N 3.32Å; P175-Q177 PolarHBondContact O-N 3.15Å; P175-L178 HydrophobicContact CB-CB 4.16Å; P175-L178 PolarHBondContact O-N 3.12Å; P175-R179 PolarHBondContact O-N 3.37Å |
| 176 | Q | 84.9 | Confident | 90.8 | Very high | 100 Ų | 100 | 43.8 Ų | 43.8 | 47% | 0.467 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -56.9 | -39.7 | -170.4 | -174.9 | 177.7 | -2.3 | 0 | 0 | 113.7 | E174 R179 H180 | E174-Q176 PolarHBondContact O-N 3.16Å; Q176-R179 PolarHBondContact O-N 3.39Å; Q176-H180 PolarHBondContact O-N 3.35Å |
| 177 | Q | 88.4 | Confident | 90.8 | Very high | 129 Ų | 129 | 45.6 Ų | 45.6 | 60% | 0.603 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.8 | -47.3 | 175.8 | -176.7 | 62.6 | 56.7 | 0 | 0 | 111.4 | P175 R179 H180 D181 | P175-Q177 VanDerWaalsContact C-N 3.32Å; P175-Q177 PolarHBondContact O-N 3.15Å; Q177-R179 VanDerWaalsContact C-N 3.32Å; Q177-R179 PolarHBondContact O-N 2.92Å; Q177-H180 PolarHBondContact O-N 3.23Å; Q177-D181 PolarHBondContact NE2-OD1 3.39Å; Q177-D181 PolarHBondContact O-N 3.1Å |
| 178 | L | 90.4 | Very high | 90.9 | Very high | 18 Ų | 18 | 51.6 Ų | 51.6 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.8 | -35.7 | 179.5 | -177.6 | 65 | 0 | 0 | 0 | 111.8 | P136 E137 V140 I173 P175 D181 V182 | P136-L178 HydrophobicContact CB-CD2 3.73Å; P136-L178 HydrophobicContact CG-CD2 4.31Å; E137-L178 HydrophobicContact CB-CD2 4.41Å; E137-L178 HydrophobicContact CG-CD2 3.76Å; V140-L178 HydrophobicContact CB-CD1 4.47Å; V140-L178 HydrophobicContact CG1-CD1 4.19Å; I173-L178 HydrophobicContact CG2-CB 4.17Å; I173-L178 HydrophobicContact CG2-CD2 4.04Å; I173-L178 HydrophobicContact CG2-CG 4.04Å; P175-L178 HydrophobicContact CB-CB 4.16Å; P175-L178 PolarHBondContact O-N 3.12Å; L178-D181 PolarHBondContact O-N 3.16Å; L178-V182 WeakPolarHBondContact O-CG2 3.26Å; L178-V182 PolarHBondContact O-N 2.58Å |
| 179 | R | 89.9 | Confident | 91.1 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 17% | 0.174 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 172.2 | -166.2 | -169.4 | -51.9 | 133 | 8.5 | 110.8 | I173 E174 P175 Q176 Q177 D181 V182 L183 | I173-R179 HydrophobicContact CB-CB 4.31Å; I173-R179 HydrophobicContact CB-CG 4.46Å; I173-R179 HydrophobicContact CG2-CB 4.08Å; I173-R179 VanDerWaalsContact O-CZ 3.27Å; I173-R179 PolarHBondContact O-NE 3.38Å; I173-R179 PolarHBondContact O-NH2 3.23Å; E174-R179 PolarHBondContact O-NH2 3.03Å; P175-R179 PolarHBondContact O-N 3.37Å; Q176-R179 PolarHBondContact O-N 3.39Å; Q177-R179 VanDerWaalsContact C-N 3.32Å; Q177-R179 PolarHBondContact O-N 2.92Å; R179-D181 PolarHBondContact O-N 3.29Å; R179-V182 WeakPolarHBondContact O-CB 3.22Å; R179-V182 PolarHBondContact O-N 2.87Å; R179-V182 VanDerWaalsContact O-N 3.13Å; R179-L183 WeakPolarHBondContact O-CG 3.42Å; R179-L183 PolarHBondContact O-N 3.04Å |
| 180 | H | 89 | Confident | 91.3 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 23% | 0.231 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.6 | -179.1 | 87.6 | 0 | 0 | 0 | 112.3 | Q176 Q177 V182 L183 N184 | Q176-H180 PolarHBondContact O-N 3.35Å; Q177-H180 PolarHBondContact O-N 3.23Å; H180-V182 VanDerWaalsContact C-N 3.26Å; H180-V182 PolarHBondContact O-N 3.42Å; H180-L183 PolarHBondContact O-N 2.92Å; H180-N184 PolarHBondContact CD2-ND2 3.36Å; H180-N184 PolarHBondContact NE2-ND2 2.88Å; H180-N184 PolarHBondContact O-N 3.39Å; H180-N184 PolarHBondContact O-ND2 2.89Å |
| 181 | D | 91.7 | Very high | 91.7 | Very high | 56 Ų | 56 | 56.3 Ų | 56.3 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62 | -32.9 | 173.7 | -63.1 | -7.3 | 0 | 0 | 0 | 112.1 | R144 Q177 L178 R179 W185 | R144-D181 VanDerWaalsContact NH2-C 3.33Å; R144-D181 PolarHBondContact NH2-O 3.38Å; Q177-D181 PolarHBondContact NE2-OD1 3.39Å; Q177-D181 PolarHBondContact O-N 3.1Å; L178-D181 PolarHBondContact O-N 3.16Å; R179-D181 PolarHBondContact O-N 3.29Å; D181-W185 WeakPolarHBondContact O-CB 3.38Å; D181-W185 PolarHBondContact O-N 3.4Å |
| 182 | V | 93.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.2 | -42.2 | 173.9 | 166.3 | 0 | 0 | 0 | 0 | 111.7 | V140 I173 L178 R179 H180 N184 W185 L186 | V140-V182 HydrophobicContact CB-CG2 4.32Å; V140-V182 HydrophobicContact CG1-CG2 3.54Å; V140-V182 HydrophobicContact CG2-CG2 3.72Å; I173-V182 HydrophobicContact CD1-CB 4.21Å; I173-V182 HydrophobicContact CD1-CG1 4.22Å; I173-V182 HydrophobicContact CD1-CG2 3.78Å; L178-V182 WeakPolarHBondContact O-CG2 3.26Å; L178-V182 PolarHBondContact O-N 2.58Å; R179-V182 WeakPolarHBondContact O-CB 3.22Å; R179-V182 PolarHBondContact O-N 2.87Å; R179-V182 VanDerWaalsContact O-N 3.13Å; H180-V182 VanDerWaalsContact C-N 3.26Å; H180-V182 PolarHBondContact O-N 3.42Å; V182-N184 VanDerWaalsContact C-N 3.32Å; V182-N184 PolarHBondContact O-N 3.43Å; V182-W185 HydrophobicContact CG1-CE3 4.41Å; V182-W185 PolarHBondContact O-N 3.31Å; V182-L186 HydrophobicContact CG1-CD1 3.8Å; V182-L186 HydrophobicContact CG1-CG 4.27Å; V182-L186 WeakPolarHBondContact O-CB 3.42Å; V182-L186 WeakPolarHBondContact O-CG 3.05Å; V182-L186 PolarHBondContact O-N 2.86Å |
| 183 | L | 93.6 | Very high | 92.5 | Very high | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 173.8 | -67.1 | 171.3 | 0 | 0 | 0 | 111.3 | L170 R179 H180 N187 P237 L238 | L170-L183 HydrophobicContact CD2-CD2 3.57Å; R179-L183 WeakPolarHBondContact O-CG 3.42Å; R179-L183 PolarHBondContact O-N 3.04Å; H180-L183 PolarHBondContact O-N 2.92Å; L183-N187 WeakPolarHBondContact O-CB 3.27Å; L183-N187 PolarHBondContact O-N 3.08Å; L183-P237 HydrophobicContact CB-CG 3.75Å; L183-L238 HydrophobicContact CD2-CD1 3.62Å; L183-L238 HydrophobicContact CD2-CG 4.3Å |
| 184 | N | 93.8 | Very high | 92.9 | Very high | 53 Ų | 53 | 55.6 Ų | 55.6 | 28% | 0.283 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 174.9 | -76.3 | -38.3 | 0 | 0 | 0 | 112.1 | H180 V182 L186 N187 E188 P237 | H180-N184 PolarHBondContact CD2-ND2 3.36Å; H180-N184 PolarHBondContact NE2-ND2 2.88Å; H180-N184 PolarHBondContact O-N 3.39Å; H180-N184 PolarHBondContact O-ND2 2.89Å; V182-N184 VanDerWaalsContact C-N 3.32Å; V182-N184 PolarHBondContact O-N 3.43Å; N184-L186 PolarHBondContact O-N 2.87Å; N184-N187 CarbonylContact O-C 3.3Å; N184-N187 WeakPolarHBondContact O-CB 3.41Å; N184-N187 PolarHBondContact O-N 3.35Å; N184-N187 VanDerWaalsContact O-N 3.12Å; N184-E188 WeakPolarHBondContact O-CG 3.37Å; N184-E188 PolarHBondContact O-N 3.14Å; N184-P237 WeakPolarHBondContact OD1-CG 3.24Å |
| 185 | W | 95.3 | Very high | 93.5 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.5 | -41.3 | 178.4 | 165.7 | 55.3 | 0 | 0 | 0 | 112.9 | L143 R144 F149 V150 M169 D181 V182 N187 E188 E189 | L143-W185 HydrophobicContact CB-CH2 4.17Å; R144-W185 HydrophobicContact CB-CD2 4.49Å; R144-W185 HydrophobicContact CB-CZ2 4.34Å; R144-W185 HydrophobicContact CG-CD2 4.34Å; R144-W185 HydrophobicContact CG-CG 4.28Å; F149-W185 AromaticContact CD1-CH2 3.77Å; F149-W185 HydrophobicContact CD1-CH2 3.77Å; F149-W185 HydrophobicContact CD1-CZ2 4.24Å; F149-W185 HydrophobicContact CE1-CH2 4.02Å; V150-W185 HydrophobicContact CG2-CZ2 4.26Å; M169-W185 HydrophobicContact CE-CH2 4.26Å; M169-W185 HydrophobicContact CE-CZ3 3.81Å; D181-W185 WeakPolarHBondContact O-CB 3.38Å; D181-W185 PolarHBondContact O-N 3.4Å; V182-W185 HydrophobicContact CG1-CE3 4.41Å; V182-W185 PolarHBondContact O-N 3.31Å; W185-N187 VanDerWaalsContact C-N 3.29Å; W185-N187 PolarHBondContact O-N 3.08Å; W185-E188 PolarHBondContact O-N 2.93Å; W185-E189 WeakPolarHBondContact O-CB 3.17Å; W185-E189 PolarHBondContact O-N 3.09Å |
| 186 | L | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.1 | -28.6 | 176.3 | -69.7 | 174 | 0 | 0 | 0 | 112.6 | V150 L170 V182 N184 E189 K190 V191 L238 | V150-L186 HydrophobicContact CG2-CD2 4.12Å; L170-L186 HydrophobicContact CD2-CD1 3.72Å; V182-L186 HydrophobicContact CG1-CD1 3.8Å; V182-L186 HydrophobicContact CG1-CG 4.27Å; V182-L186 WeakPolarHBondContact O-CB 3.42Å; V182-L186 WeakPolarHBondContact O-CG 3.05Å; V182-L186 PolarHBondContact O-N 2.86Å; N184-L186 PolarHBondContact O-N 2.87Å; L186-E189 CarbonylContact O-C 3.59Å; L186-K190 PolarHBondContact O-N 3.34Å; L186-V191 HydrophobicContact CB-CB 4.43Å; L186-V191 HydrophobicContact CB-CG1 3.97Å; L186-V191 WeakPolarHBondContact O-CB 3.44Å; L186-V191 WeakPolarHBondContact O-CG1 3.47Å; L186-V191 PolarHBondContact O-N 3.41Å; L186-L238 HydrophobicContact CB-CD2 4.41Å |
| 187 | N | 95.4 | Very high | 94.3 | Very high | 42 Ų | 42 | 43.6 Ų | 43.6 | 23% | 0.225 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -75 | -37.5 | 172.1 | -174.9 | 58.4 | 0 | 0 | 0 | 112.2 | L183 N184 W185 K190 P237 L238 T241 | L183-N187 WeakPolarHBondContact O-CB 3.27Å; L183-N187 PolarHBondContact O-N 3.08Å; N184-N187 CarbonylContact O-C 3.3Å; N184-N187 WeakPolarHBondContact O-CB 3.41Å; N184-N187 PolarHBondContact O-N 3.35Å; N184-N187 VanDerWaalsContact O-N 3.12Å; W185-N187 VanDerWaalsContact C-N 3.29Å; W185-N187 PolarHBondContact O-N 3.08Å; N187-K190 WeakPolarHBondContact O-CA 3.18Å; N187-K190 PolarHBondContact O-N 2.93Å; N187-P237 HydrophobicContact CB-CB 4.17Å; N187-P237 PolarHBondContact OD1-O 3.32Å; N187-L238 HydrophobicContact CB-CD2 3.81Å; N187-T241 PolarHBondContact OD1-OG1 2.89Å |
| 188 | E | 95.6 | Very high | 94.6 | Very high | 147 Ų | 147 | 38.7 Ų | 38.7 | 69% | 0.687 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -62.1 | -42.6 | 170.4 | -71.2 | 175.8 | 158.8 | 0 | 0 | 111.3 | N184 W185 K190 | N184-E188 WeakPolarHBondContact O-CG 3.37Å; N184-E188 PolarHBondContact O-N 3.14Å; W185-E188 PolarHBondContact O-N 2.93Å; E188-K190 PolarHBondContact O-N 3.22Å |
| 189 | E | 95.8 | Very high | 94.8 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 24% | 0.243 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 11.1 | 169.6 | -73 | -61.6 | 154.1 | 0 | 0 | 113.6 | V150 W185 L186 V191 R194 | V150-E189 HydrophobicContact CB-CB 4.22Å; V150-E189 HydrophobicContact CG1-CB 4.25Å; V150-E189 HydrophobicContact CG2-CB 3.86Å; V150-E189 HydrophobicContact CG2-CG 3.96Å; W185-E189 WeakPolarHBondContact O-CB 3.17Å; W185-E189 PolarHBondContact O-N 3.09Å; L186-E189 CarbonylContact O-C 3.59Å; E189-V191 PolarHBondContact O-N 3.06Å; E189-R194 PolarHBondContact O-NH1 3.08Å; E189-R194 IonicContact OE2-CZ 2.75Å; E189-R194 IonicContact OE2-NH1 2.79Å; E189-R194 PolarHBondContact OE2-NH1 3.21Å; E189-R194 IonicContact OE2-NH2 3.86Å |
| 190 | K | 96.4 | Very high | 94.9 | Very high | 132 Ų | 132 | 37.3 Ų | 37.3 | 57% | 0.574 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50 | 37.6 | 170.9 | -55.9 | -176.1 | -176.5 | -179.9 | 0 | 114 | L186 N187 E188 I192 Q193 R194 | L186-K190 PolarHBondContact O-N 3.34Å; N187-K190 WeakPolarHBondContact O-CA 3.18Å; N187-K190 PolarHBondContact O-N 2.93Å; E188-K190 PolarHBondContact O-N 3.22Å; K190-I192 PolarHBondContact O-N 3.35Å; K190-I192 VanDerWaalsContact O-N 3.13Å; K190-Q193 HydrophobicContact CB-CB 4.32Å; K190-Q193 PolarHBondContact O-N 3.4Å; K190-Q193 PolarHBondContact O-OE1 3.48Å; K190-R194 PolarHBondContact O-N 3.05Å |
| 191 | V | 97.1 | Very high | 95 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.9 | -34.1 | -175.9 | 74.9 | 0 | 0 | 0 | 0 | 111.4 | V150 I154 L166 L186 E189 L195 L238 | V150-V191 HydrophobicContact CG1-CB 4.44Å; V150-V191 HydrophobicContact CG1-CG2 4.27Å; I154-V191 HydrophobicContact CD1-CG2 4.41Å; L166-V191 HydrophobicContact CD1-CG2 4.32Å; L166-V191 HydrophobicContact CD2-CG2 4.37Å; L186-V191 HydrophobicContact CB-CB 4.43Å; L186-V191 HydrophobicContact CB-CG1 3.97Å; L186-V191 WeakPolarHBondContact O-CB 3.44Å; L186-V191 WeakPolarHBondContact O-CG1 3.47Å; L186-V191 PolarHBondContact O-N 3.41Å; E189-V191 PolarHBondContact O-N 3.06Å; V191-L195 HydrophobicContact CG2-CD1 4.24Å; V191-L195 HydrophobicContact CG2-CG 4.5Å; V191-L195 WeakPolarHBondContact O-CB 3.46Å; V191-L195 VanDerWaalsContact O-CG 3.25Å; V191-L195 WeakPolarHBondContact O-CG 3.44Å; V191-L195 PolarHBondContact O-N 2.78Å; V191-L238 HydrophobicContact CG1-CD2 3.71Å |
| 192 | I | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -52.8 | 175.4 | -60.1 | -51.3 | 0 | 0 | 0 | 111.5 | K190 R194 L195 V196 L215 I218 L238 T241 L242 T247 | K190-I192 PolarHBondContact O-N 3.35Å; K190-I192 VanDerWaalsContact O-N 3.13Å; I192-R194 VanDerWaalsContact C-N 3.35Å; I192-R194 PolarHBondContact O-N 2.77Å; I192-L195 PolarHBondContact O-N 2.85Å; I192-V196 HydrophobicContact CG2-CG2 4.38Å; I192-V196 VanDerWaalsContact O-CG2 3.3Å; I192-V196 WeakPolarHBondContact O-CG2 3.42Å; I192-V196 PolarHBondContact O-N 2.9Å; I192-L215 HydrophobicContact CD1-CD2 3.81Å; I192-I218 HydrophobicContact CD1-CD1 4.09Å; I192-I218 HydrophobicContact CD1-CG2 4.39Å; I192-L238 HydrophobicContact CD1-CB 4.2Å; I192-L238 HydrophobicContact CD1-CD2 4.25Å; I192-L238 HydrophobicContact CG1-CB 4.35Å; I192-L238 HydrophobicContact CG1-CD2 3.99Å; I192-T241 HydrophobicContact CB-CG2 3.97Å; I192-T241 HydrophobicContact CG1-CG2 4.19Å; I192-T241 HydrophobicContact CG2-CG2 4.01Å; I192-L242 HydrophobicContact CD1-CD1 3.7Å; I192-L242 HydrophobicContact CD1-CG 3.91Å; I192-L242 HydrophobicContact CG1-CD1 4.47Å; I192-L242 HydrophobicContact CG1-CG 4.23Å; I192-L242 HydrophobicContact CG2-CD2 3.77Å; I192-L242 HydrophobicContact CG2-CG 3.75Å; I192-T247 HydrophobicContact CG2-CG2 3.88Å |
| 193 | Q | 96.6 | Very high | 94.9 | Very high | 45 Ų | 45 | 39.8 Ų | 39.8 | 21% | 0.21 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 179.4 | -67.3 | 75.3 | 14.8 | 0 | 0 | 111.2 | K190 L195 V196 D197 | K190-Q193 HydrophobicContact CB-CB 4.32Å; K190-Q193 PolarHBondContact O-N 3.4Å; K190-Q193 PolarHBondContact O-OE1 3.48Å; Q193-L195 VanDerWaalsContact C-N 3.3Å; Q193-L195 PolarHBondContact O-N 2.9Å; Q193-V196 PolarHBondContact O-N 3.06Å; Q193-D197 WeakPolarHBondContact O-CB 3.45Å; Q193-D197 PolarHBondContact O-N 2.9Å |
| 194 | R | 96.7 | Very high | 94.8 | Very high | 53 Ų | 53 | 42.6 Ų | 42.6 | 20% | 0.2 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.1 | -38.2 | 174.6 | -76.7 | 176.5 | 161.4 | 138 | -8.8 | 112 | D151 I154 E189 K190 I192 M198 | D151-R194 IonicContact OD1-CZ 2.74Å; D151-R194 IonicContact OD1-NE 2.99Å; D151-R194 PolarHBondContact OD1-NE 3.28Å; D151-R194 IonicContact OD1-NH2 2.71Å; D151-R194 PolarHBondContact OD1-NH2 2.82Å; D151-R194 IonicContact OD2-CZ 2.78Å; D151-R194 IonicContact OD2-NH2 2.62Å; D151-R194 PolarHBondContact OD2-NH2 2.98Å; I154-R194 HydrophobicContact CD1-CB 4.08Å; I154-R194 HydrophobicContact CG1-CB 3.92Å; I154-R194 HydrophobicContact CG2-CB 4.29Å; E189-R194 PolarHBondContact O-NH1 3.08Å; E189-R194 IonicContact OE2-CZ 2.75Å; E189-R194 IonicContact OE2-NH1 2.79Å; E189-R194 PolarHBondContact OE2-NH1 3.21Å; E189-R194 IonicContact OE2-NH2 3.86Å; K190-R194 PolarHBondContact O-N 3.05Å; I192-R194 VanDerWaalsContact C-N 3.35Å; I192-R194 PolarHBondContact O-N 2.77Å; R194-M198 WeakPolarHBondContact O-CG 3.46Å; R194-M198 PolarHBondContact O-N 3.18Å |
| 195 | L | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.8 | -41.2 | 173.8 | -74.7 | 169.5 | 0 | 0 | 0 | 112.9 | I154 I157 L166 V191 I192 Q193 D197 M198 V199 A211 L215 I218 | I154-L195 HydrophobicContact CD1-CD2 3.59Å; I154-L195 HydrophobicContact CD1-CG 3.73Å; I157-L195 HydrophobicContact CD1-CD2 4.34Å; I157-L195 HydrophobicContact CG1-CD2 4.1Å; L166-L195 HydrophobicContact CD2-CD1 4.13Å; V191-L195 HydrophobicContact CG2-CD1 4.24Å; V191-L195 HydrophobicContact CG2-CG 4.5Å; V191-L195 WeakPolarHBondContact O-CB 3.46Å; V191-L195 VanDerWaalsContact O-CG 3.25Å; V191-L195 WeakPolarHBondContact O-CG 3.44Å; V191-L195 PolarHBondContact O-N 2.78Å; I192-L195 PolarHBondContact O-N 2.85Å; Q193-L195 VanDerWaalsContact C-N 3.3Å; Q193-L195 PolarHBondContact O-N 2.9Å; L195-D197 VanDerWaalsContact C-N 3.27Å; L195-D197 PolarHBondContact O-N 3.35Å; L195-M198 WeakPolarHBondContact O-CB 3.48Å; L195-M198 PolarHBondContact O-N 2.88Å; L195-V199 PolarHBondContact O-N 2.98Å; L195-A211 HydrophobicContact CD2-CB 4.11Å; L195-L215 HydrophobicContact CB-CD1 4.1Å; L195-L215 HydrophobicContact CB-CD2 3.82Å; L195-L215 HydrophobicContact CB-CG 4Å; L195-L215 HydrophobicContact CD1-CD2 3.62Å; L195-L215 HydrophobicContact CD1-CG 4.19Å; L195-L215 HydrophobicContact CG-CD2 4.38Å; L195-I218 HydrophobicContact CD1-CD1 4.14Å |
| 196 | V | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 174.6 | 167.8 | 0 | 0 | 0 | 0 | 110.7 | I192 Q193 M198 V199 L215 T247 Q250 L251 N254 | I192-V196 HydrophobicContact CG2-CG2 4.38Å; I192-V196 VanDerWaalsContact O-CG2 3.3Å; I192-V196 WeakPolarHBondContact O-CG2 3.42Å; I192-V196 PolarHBondContact O-N 2.9Å; Q193-V196 PolarHBondContact O-N 3.06Å; V196-M198 PolarHBondContact O-N 2.81Å; V196-V199 PolarHBondContact O-N 2.91Å; V196-L215 HydrophobicContact CG2-CD1 4.03Å; V196-T247 HydrophobicContact CG2-CG2 4.15Å; V196-Q250 HydrophobicContact CG1-CB 4.16Å; V196-Q250 HydrophobicContact CG1-CG 3.7Å; V196-L251 HydrophobicContact CB-CD2 4.36Å; V196-L251 HydrophobicContact CB-CG 4.48Å; V196-L251 HydrophobicContact CG1-CD2 3.97Å; V196-L251 HydrophobicContact CG1-CG 3.87Å; V196-L251 HydrophobicContact CG2-CD1 4.26Å; V196-L251 HydrophobicContact CG2-CD2 3.95Å; V196-L251 HydrophobicContact CG2-CG 3.87Å; V196-N254 PolarHBondContact O-ND2 2.93Å; V196-N254 VanDerWaalsContact O-ND2 3.1Å |
| 197 | D | 94.9 | Very high | 94.8 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 34% | 0.342 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -12.8 | 175.2 | -73.9 | -28.3 | 0 | 0 | 0 | 113.8 | Q193 L195 Q200 Q250 | Q193-D197 WeakPolarHBondContact O-CB 3.45Å; Q193-D197 PolarHBondContact O-N 2.9Å; L195-D197 VanDerWaalsContact C-N 3.27Å; L195-D197 PolarHBondContact O-N 3.35Å; D197-Q200 WeakPolarHBondContact O-CG 3.15Å; D197-Q200 PolarHBondContact O-NE2 2.87Å; D197-Q250 PolarHBondContact OD1-NE2 2.86Å |
| 198 | M | 94.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 50.8 Ų | 50.8 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -19.5 | 167.1 | -64.9 | -61.5 | 103 | 0 | 0 | 112.5 | I154 I157 R194 L195 V196 Q200 Q203 H208 A211 | I154-M198 HydrophobicContact CG2-CE 4.04Å; I154-M198 HydrophobicContact CG2-CG 3.78Å; I154-M198 HydrophobicContact CG2-SD 3.95Å; I157-M198 HydrophobicContact CG2-CG 4.06Å; R194-M198 WeakPolarHBondContact O-CG 3.46Å; R194-M198 PolarHBondContact O-N 3.18Å; L195-M198 WeakPolarHBondContact O-CB 3.48Å; L195-M198 PolarHBondContact O-N 2.88Å; V196-M198 PolarHBondContact O-N 2.81Å; M198-Q200 VanDerWaalsContact C-N 3.35Å; M198-Q200 PolarHBondContact O-N 2.88Å; M198-Q203 WeakPolarHBondContact O-CG 3.33Å; M198-H208 PolarHBondContact O-CD2 3Å; M198-A211 HydrophobicContact CB-CB 3.83Å |
| 199 | V | 94 | Very high | 95 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -92.5 | 67.5 | 175.8 | -165.3 | 0 | 0 | 0 | 0 | 110 | L195 V196 A211 N254 V268 I271 | L195-V199 PolarHBondContact O-N 2.98Å; V196-V199 PolarHBondContact O-N 2.91Å; V199-A211 HydrophobicContact CG2-CB 3.86Å; V199-N254 WeakPolarHBondContact O-CB 3.43Å; V199-N254 PolarHBondContact O-ND2 2.8Å; V199-V268 HydrophobicContact CB-CG2 4.5Å; V199-V268 HydrophobicContact CG1-CG2 3.63Å; V199-I271 HydrophobicContact CG2-CD1 4.37Å |
| 200 | Q | 91.5 | Very high | 95 | Very high | 35 Ų | 35 | 44.4 Ų | 44.4 | 16% | 0.164 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -138.6 | 143.4 | 178.3 | 68.5 | 174.7 | -52.5 | 0 | 0 | 112.2 | D197 M198 S202 Q203 H208 N254 | D197-Q200 WeakPolarHBondContact O-CG 3.15Å; D197-Q200 PolarHBondContact O-NE2 2.87Å; M198-Q200 VanDerWaalsContact C-N 3.35Å; M198-Q200 PolarHBondContact O-N 2.88Å; Q200-S202 PolarHBondContact O-N 3.25Å; Q200-Q203 HydrophobicContact CG-CG 3.84Å; Q200-Q203 PolarHBondContact O-N 3.43Å; Q200-H208 PolarHBondContact O-NE2 3.32Å; Q200-N254 HydrophobicContact CB-CB 4.21Å |
| 201 | P | 90.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 38.1 Ų | 38.1 | 13% | 0.13 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -15.4 | -171.3 | -36.2 | 39.1 | 0 | 0 | 0 | 119.9 | N254 K258 D259 N261 A264 | P201-N254 WeakPolarHBondContact CD-O 3.28Å; P201-N254 WeakPolarHBondContact CG-O 2.99Å; P201-K258 HydrophobicContact CB-CB 4.37Å; P201-K258 HydrophobicContact CG-CB 3.98Å; P201-D259 VanDerWaalsContact CB-O 3.24Å; P201-D259 WeakPolarHBondContact CB-O 3.35Å; P201-D259 WeakPolarHBondContact CG-O 3.23Å; P201-N261 HydrophobicContact CB-CB 3.64Å; P201-N261 HydrophobicContact CG-CB 4.1Å; P201-N261 PolarHBondContact O-ND2 2.83Å; P201-A264 HydrophobicContact CG-CB 4.32Å |
| 202 | S | 90.6 | Very high | 95.1 | Very high | 92 Ų | 92 | 38.3 Ų | 38.3 | 64% | 0.643 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -1.8 | 177.7 | 65.4 | 0 | 0 | 0 | 0 | 115 | Q200 | Q200-S202 PolarHBondContact O-N 3.25Š|
| 203 | Q | 92.6 | Very high | 95.1 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 22% | 0.224 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -93.7 | 166.3 | 173.7 | -56.5 | -67.4 | -31.5 | 0 | 0 | 110.6 | M198 Q200 R207 H208 | M198-Q203 WeakPolarHBondContact O-CG 3.33Å; Q200-Q203 HydrophobicContact CG-CG 3.84Å; Q200-Q203 PolarHBondContact O-N 3.43Å; Q203-R207 HydrophobicContact CB-CB 4.23Å; Q203-H208 PolarHBondContact O-CE1 2.93Å |
| 204 | D | 92.7 | Very high | 95.2 | Very high | 70 Ų | 70 | 40.4 Ų | 40.4 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | trans | -77.1 | 165.3 | 175.5 | 59.1 | -104.8 | 0 | 0 | 0 | 113.3 | D206 R207 H208 | D204-D206 PolarHBondContact OD2-N 3.29Å; D204-R207 PolarHBondContact O-N 3.17Å; D204-R207 WeakPolarHBondContact OD1-CD 3.36Å; D204-R207 WeakPolarHBondContact OD1-CG 3.48Å; D204-R207 IonicContact OD1-NE 2.68Å; D204-R207 PolarHBondContact OD1-NE 3Å; D204-R207 WeakPolarHBondContact OD2-CB 3.42Å; D204-R207 VanDerWaalsContact OD2-CG 3.24Å; D204-R207 WeakPolarHBondContact OD2-CG 3.29Å; D204-R207 PolarHBondContact OD2-N 3.21Å; D204-H208 VanDerWaalsContact O-CG 3.29Å; D204-H208 PolarHBondContact O-N 3.14Å; D204-H208 PolarHBondContact O-ND1 2.9Å | ||
| 205 | E | 94.6 | Very high | 95.2 | Very high | 136 Ų | 136 | 37.9 Ų | 37.9 | 64% | 0.636 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -69.3 | -31.1 | -175.9 | -177.1 | 156.7 | -172.9 | 0 | 0 | 113 | H208 S209 | E205-H208 PolarHBondContact O-N 2.62Å; E205-S209 WeakPolarHBondContact O-CB 3.2Å; E205-S209 PolarHBondContact O-N 2.8Å |
| 206 | D | 95 | Very high | 95.2 | Very high | 105 Ų | 105 | 38.1 Ų | 38.1 | 56% | 0.561 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -68.6 | -40.4 | 176.2 | -60.9 | -49.4 | 0 | 0 | 0 | 111.3 | D204 S209 N210 | D204-D206 PolarHBondContact OD2-N 3.29Å; D206-S209 PolarHBondContact O-N 3.4Å; D206-N210 VanDerWaalsContact O-CB 3.31Å; D206-N210 WeakPolarHBondContact O-CB 3.49Å; D206-N210 VanDerWaalsContact O-CG 3.29Å; D206-N210 PolarHBondContact O-N 3.22Å |
| 207 | R | 95.9 | Very high | 95.1 | Very high | 38 Ų | 38 | 40.8 Ų | 40.8 | 14% | 0.143 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 168.8 | -74.4 | 172.7 | -166.6 | -97.5 | -22.1 | 111.7 | K155 I157 Q203 D204 S209 A211 | K155-R207 PolarHBondContact O-NH2 3.47Å; I157-R207 HydrophobicContact CG2-CG 4.25Å; Q203-R207 HydrophobicContact CB-CB 4.23Å; D204-R207 PolarHBondContact O-N 3.17Å; D204-R207 WeakPolarHBondContact OD1-CD 3.36Å; D204-R207 WeakPolarHBondContact OD1-CG 3.48Å; D204-R207 IonicContact OD1-NE 2.68Å; D204-R207 PolarHBondContact OD1-NE 3Å; D204-R207 WeakPolarHBondContact OD2-CB 3.42Å; D204-R207 VanDerWaalsContact OD2-CG 3.24Å; D204-R207 WeakPolarHBondContact OD2-CG 3.29Å; D204-R207 PolarHBondContact OD2-N 3.21Å; R207-S209 VanDerWaalsContact C-N 3.3Å; R207-S209 PolarHBondContact O-N 2.89Å; R207-A211 WeakPolarHBondContact O-CB 3.49Å; R207-A211 PolarHBondContact O-N 3.13Å |
| 208 | H | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 177.2 | -67.2 | 154.5 | 0 | 0 | 0 | 111.8 | M198 Q200 Q203 D204 E205 S212 S263 A264 S267 | M198-H208 PolarHBondContact O-CD2 3Å; Q200-H208 PolarHBondContact O-NE2 3.32Å; Q203-H208 PolarHBondContact O-CE1 2.93Å; D204-H208 VanDerWaalsContact O-CG 3.29Å; D204-H208 PolarHBondContact O-N 3.14Å; D204-H208 PolarHBondContact O-ND1 2.9Å; E205-H208 PolarHBondContact O-N 2.62Å; H208-S212 WeakPolarHBondContact O-CB 3.35Å; H208-S212 PolarHBondContact O-N 2.71Å; H208-S212 VanDerWaalsContact O-N 3.16Å; H208-S263 PolarHBondContact ND1-OG 3.1Å; H208-A264 PolarHBondContact ND1-N 3.22Å; H208-S267 VanDerWaalsContact C-OG 3.26Å; H208-S267 PolarHBondContact O-OG 3.01Å |
| 209 | S | 97.1 | Very high | 95 | Very high | 59 Ų | 59 | 36.6 Ų | 36.6 | 41% | 0.413 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.6 | -58.2 | 178.9 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | E205 D206 R207 A211 S212 Q213 | E205-S209 WeakPolarHBondContact O-CB 3.2Å; E205-S209 PolarHBondContact O-N 2.8Å; D206-S209 PolarHBondContact O-N 3.4Å; R207-S209 VanDerWaalsContact C-N 3.3Å; R207-S209 PolarHBondContact O-N 2.89Å; S209-A211 PolarHBondContact O-N 3.46Å; S209-S212 WeakPolarHBondContact O-CB 3Å; S209-S212 PolarHBondContact O-N 3.48Å; S209-Q213 WeakPolarHBondContact O-CB 3.33Å; S209-Q213 PolarHBondContact O-N 3Å |
| 210 | N | 97.2 | Very high | 94.9 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.8 | -35.8 | -174.2 | -67.5 | -11.7 | 0 | 0 | 0 | 112.8 | I157 G158 S160 M163 D206 S214 | I157-N210 HydrophobicContact CG1-CB 4.42Å; I157-N210 WeakPolarHBondContact O-CB 3.39Å; I157-N210 PolarHBondContact O-ND2 3.3Å; G158-N210 PolarHBondContact O-ND2 3.38Å; S160-N210 PolarHBondContact N-ND2 2.72Å; S160-N210 PolarHBondContact OG-ND2 2.67Å; S160-N210 VanDerWaalsContact OG-ND2 3.16Å; S160-N210 PolarHBondContact OG-OD1 3.39Å; M163-N210 HydrophobicContact CB-CB 4.15Å; M163-N210 HydrophobicContact CG-CB 4.04Å; M163-N210 HydrophobicContact SD-CB 3.74Å; D206-N210 VanDerWaalsContact O-CB 3.31Å; D206-N210 WeakPolarHBondContact O-CB 3.49Å; D206-N210 VanDerWaalsContact O-CG 3.29Å; D206-N210 PolarHBondContact O-N 3.22Å; N210-S214 WeakPolarHBondContact O-CB 3.25Å; N210-S214 PolarHBondContact O-N 3.2Å; N210-S214 PolarHBondContact O-OG 3.24Å |
| 211 | A | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.1 | -41 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L195 M198 V199 R207 S209 S214 L215 | L195-A211 HydrophobicContact CD2-CB 4.11Å; M198-A211 HydrophobicContact CB-CB 3.83Å; V199-A211 HydrophobicContact CG2-CB 3.86Å; R207-A211 WeakPolarHBondContact O-CB 3.49Å; R207-A211 PolarHBondContact O-N 3.13Å; S209-A211 PolarHBondContact O-N 3.46Å; A211-S214 WeakPolarHBondContact O-CB 3.42Å; A211-S214 PolarHBondContact O-N 3.27Å; A211-L215 WeakPolarHBondContact O-CG 3.43Å; A211-L215 PolarHBondContact O-N 3.02Å |
| 212 | S | 97.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -45 | 173.7 | -171.5 | 0 | 0 | 0 | 0 | 112.2 | H208 S209 L215 C216 S267 | H208-S212 WeakPolarHBondContact O-CB 3.35Å; H208-S212 PolarHBondContact O-N 2.71Å; H208-S212 VanDerWaalsContact O-N 3.16Å; S209-S212 WeakPolarHBondContact O-CB 3Å; S209-S212 PolarHBondContact O-N 3.48Å; S212-L215 PolarHBondContact O-N 2.89Å; S212-C216 PolarHBondContact O-N 3.02Å; S212-C216 PolarHBondContact O-SG 3.42Å; S212-S267 PolarHBondContact OG-O 3.32Å |
| 213 | Q | 97.3 | Very high | 94.4 | Very high | 88 Ų | 88 | 37.7 Ų | 37.7 | 41% | 0.411 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 178.3 | -177.4 | 173.5 | -19.9 | 0 | 0 | 110.9 | M163 S209 L215 C216 E217 | M163-Q213 HydrophobicContact CE-CG 4.41Å; M163-Q213 HydrophobicContact SD-CB 3.96Å; M163-Q213 HydrophobicContact SD-CG 4.04Å; S209-Q213 WeakPolarHBondContact O-CB 3.33Å; S209-Q213 PolarHBondContact O-N 3Å; Q213-L215 VanDerWaalsContact C-N 3.32Å; Q213-L215 PolarHBondContact O-N 3.47Å; Q213-C216 PolarHBondContact O-N 3.42Å; Q213-E217 HydrophobicContact CG-CG 4.22Å; Q213-E217 WeakPolarHBondContact O-CB 3.33Å; Q213-E217 WeakPolarHBondContact O-CG 3.48Å; Q213-E217 PolarHBondContact O-N 2.85Å |
| 214 | S | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.6 | -48.4 | 173 | -61 | 0 | 0 | 0 | 0 | 111.5 | M163 N210 A211 I218 | M163-S214 VanDerWaalsContact CG-OG 3.26Å; M163-S214 WeakPolarHBondContact CG-OG 3.48Å; N210-S214 WeakPolarHBondContact O-CB 3.25Å; N210-S214 PolarHBondContact O-N 3.2Å; N210-S214 PolarHBondContact O-OG 3.24Å; A211-S214 WeakPolarHBondContact O-CB 3.42Å; A211-S214 PolarHBondContact O-N 3.27Å; S214-I218 WeakPolarHBondContact O-CB 3.38Å; S214-I218 WeakPolarHBondContact O-CD1 3.42Å; S214-I218 WeakPolarHBondContact O-CG1 3.34Å; S214-I218 PolarHBondContact O-N 3.07Å |
| 215 | L | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.8 | -41.4 | -179.1 | -67.1 | 179.8 | 0 | 0 | 0 | 112.6 | I192 L195 V196 A211 S212 Q213 I218 I219 L242 I271 | I192-L215 HydrophobicContact CD1-CD2 3.81Å; L195-L215 HydrophobicContact CB-CD1 4.1Å; L195-L215 HydrophobicContact CB-CD2 3.82Å; L195-L215 HydrophobicContact CB-CG 4Å; L195-L215 HydrophobicContact CD1-CD2 3.62Å; L195-L215 HydrophobicContact CD1-CG 4.19Å; L195-L215 HydrophobicContact CG-CD2 4.38Å; V196-L215 HydrophobicContact CG2-CD1 4.03Å; A211-L215 WeakPolarHBondContact O-CG 3.43Å; A211-L215 PolarHBondContact O-N 3.02Å; S212-L215 PolarHBondContact O-N 2.89Å; Q213-L215 VanDerWaalsContact C-N 3.32Å; Q213-L215 PolarHBondContact O-N 3.47Å; L215-I218 HydrophobicContact CD2-CD1 4.36Å; L215-I218 PolarHBondContact O-N 3.01Å; L215-I219 WeakPolarHBondContact O-CD1 3.45Å; L215-I219 VanDerWaalsContact O-CG1 3.26Å; L215-I219 WeakPolarHBondContact O-CG1 3.15Å; L215-I219 PolarHBondContact O-N 2.93Å; L215-L242 HydrophobicContact CD2-CD1 4.43Å; L215-L242 HydrophobicContact CD2-CD2 4.06Å; L215-I271 HydrophobicContact CB-CD1 4.31Å; L215-I271 HydrophobicContact CB-CG1 4.2Å; L215-I271 HydrophobicContact CD1-CD1 3.76Å |
| 216 | C | 96.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.034 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 174.9 | -69.6 | 0 | 0 | 0 | 0 | 112.5 | S212 Q213 I219 R220 T274 | S212-C216 PolarHBondContact O-N 3.02Å; S212-C216 PolarHBondContact O-SG 3.42Å; Q213-C216 PolarHBondContact O-N 3.42Å; C216-I219 PolarHBondContact O-N 2.95Å; C216-R220 WeakPolarHBondContact O-CG 3.46Å; C216-R220 PolarHBondContact O-N 3.02Å; C216-R220 VanDerWaalsContact O-N 3.1Å; C216-T274 HydrophobicContact CB-CG2 4.11Å |
| 217 | E | 95.4 | Very high | 90.8 | Very high | 56 Ų | 56 | 33.4 Ų | 33.4 | 26% | 0.262 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -72.3 | -33.8 | 179.8 | -65.2 | -55.1 | 112.4 | 0 | 0 | 111.8 | L167 Q213 R220 L221 | L167-E217 HydrophobicContact CD1-CB 4.06Å; L167-E217 HydrophobicContact CD1-CG 4.26Å; L167-E217 HydrophobicContact CD2-CB 3.86Å; Q213-E217 HydrophobicContact CG-CG 4.22Å; Q213-E217 WeakPolarHBondContact O-CB 3.33Å; Q213-E217 WeakPolarHBondContact O-CG 3.48Å; Q213-E217 PolarHBondContact O-N 2.85Å; E217-R220 PolarHBondContact O-N 3.28Å; E217-R220 WeakPolarHBondContact OE1-CD 3.43Å; E217-R220 IonicContact OE1-CZ 2.68Å; E217-R220 IonicContact OE1-NH1 3.17Å; E217-R220 PolarHBondContact OE1-NH1 2.91Å; E217-L221 VanDerWaalsContact O-CB 3.26Å; E217-L221 WeakPolarHBondContact O-CB 3.37Å; E217-L221 WeakPolarHBondContact O-CD1 3.33Å; E217-L221 WeakPolarHBondContact O-CG 3.5Å; E217-L221 PolarHBondContact O-N 3.13Å |
| 218 | I | 94.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.1 | -51.3 | 167.5 | -73.1 | 161.5 | 0 | 0 | 0 | 110.4 | L170 I192 L195 S214 L215 R220 L221 S222 L238 L242 | L170-I218 HydrophobicContact CD1-CD1 4.22Å; L170-I218 HydrophobicContact CD1-CG1 3.59Å; I192-I218 HydrophobicContact CD1-CD1 4.09Å; I192-I218 HydrophobicContact CD1-CG2 4.39Å; L195-I218 HydrophobicContact CD1-CD1 4.14Å; S214-I218 WeakPolarHBondContact O-CB 3.38Å; S214-I218 WeakPolarHBondContact O-CD1 3.42Å; S214-I218 WeakPolarHBondContact O-CG1 3.34Å; S214-I218 PolarHBondContact O-N 3.07Å; L215-I218 HydrophobicContact CD2-CD1 4.36Å; L215-I218 PolarHBondContact O-N 3.01Å; I218-R220 VanDerWaalsContact C-N 3.28Å; I218-R220 PolarHBondContact O-N 2.64Å; I218-L221 PolarHBondContact O-N 3.22Å; I218-S222 WeakPolarHBondContact O-CB 3.37Å; I218-S222 PolarHBondContact O-N 2.89Å; I218-S222 PolarHBondContact O-OG 3.29Å; I218-L238 HydrophobicContact CG2-CB 4Å; I218-L238 HydrophobicContact CG2-CD1 4.4Å; I218-L242 HydrophobicContact CB-CD1 4.4Å; I218-L242 HydrophobicContact CG2-CD1 3.69Å |
| 219 | I | 92.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.1 | -44.1 | 180 | -65.4 | 158.9 | 0 | 0 | 0 | 111.3 | L215 C216 R223 L239 L242 I271 T274 L275 | L215-I219 WeakPolarHBondContact O-CD1 3.45Å; L215-I219 VanDerWaalsContact O-CG1 3.26Å; L215-I219 WeakPolarHBondContact O-CG1 3.15Å; L215-I219 PolarHBondContact O-N 2.93Å; C216-I219 PolarHBondContact O-N 2.95Å; I219-R223 WeakPolarHBondContact O-CB 3.45Å; I219-R223 VanDerWaalsContact O-CG 3.25Å; I219-R223 WeakPolarHBondContact O-CG 3.37Å; I219-R223 PolarHBondContact O-N 3.43Å; I219-R223 VanDerWaalsContact O-N 3.14Å; I219-L239 HydrophobicContact CG1-CD1 4.49Å; I219-L239 HydrophobicContact CG2-CD1 4.22Å; I219-L242 HydrophobicContact CG1-CD1 3.89Å; I219-I271 HydrophobicContact CD1-CG2 4.31Å; I219-T274 HydrophobicContact CB-CG2 4.11Å; I219-T274 HydrophobicContact CD1-CG2 4.33Å; I219-T274 HydrophobicContact CG2-CG2 4.04Å; I219-L275 HydrophobicContact CD1-CD2 3.61Å; I219-L275 HydrophobicContact CD1-CG 3.74Å; I219-L275 HydrophobicContact CG1-CD2 4.06Å |
| 220 | R | 91.1 | Very high | 85.5 | Confident | 88 Ų | 88 | 47.8 Ų | 47.8 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68 | -50.4 | -180 | -71.8 | 171 | 176.9 | 157.1 | -0.1 | 112.2 | C216 E217 I218 S222 R223 D224 T274 E277 | C216-R220 WeakPolarHBondContact O-CG 3.46Å; C216-R220 PolarHBondContact O-N 3.02Å; C216-R220 VanDerWaalsContact O-N 3.1Å; E217-R220 PolarHBondContact O-N 3.28Å; E217-R220 WeakPolarHBondContact OE1-CD 3.43Å; E217-R220 IonicContact OE1-CZ 2.68Å; E217-R220 IonicContact OE1-NH1 3.17Å; E217-R220 PolarHBondContact OE1-NH1 2.91Å; I218-R220 VanDerWaalsContact C-N 3.28Å; I218-R220 PolarHBondContact O-N 2.64Å; R220-S222 VanDerWaalsContact C-N 3.34Å; R220-S222 PolarHBondContact O-N 2.9Å; R220-R223 PolarHBondContact O-N 2.87Å; R220-D224 WeakPolarHBondContact O-CB 3.27Å; R220-D224 PolarHBondContact O-N 3.08Å; R220-T274 HydrophobicContact CG-CG2 4.04Å; R220-E277 IonicContact CZ-OE1 2.65Å; R220-E277 IonicContact CZ-OE2 3.56Å; R220-E277 IonicContact NE-OE2 3.65Å; R220-E277 PolarHBondContact NE-OE2 3.23Å; R220-E277 VanDerWaalsContact NH2-CD 3.33Å; R220-E277 IonicContact NH2-OE1 3.2Å; R220-E277 PolarHBondContact NH2-OE1 3.29Å; R220-E277 IonicContact NH2-OE2 2.78Å; R220-E277 PolarHBondContact NH2-OE2 2.78Å |
| 221 | L | 88.8 | Confident | 83.3 | Confident | 50 Ų | 50 | 51 Ų | 51 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 179.8 | -71 | 169.4 | 0 | 0 | 0 | 112.4 | T171 E217 I218 Q225 | T171-L221 HydrophobicContact CG2-CD1 3.57Å; T171-L221 HydrophobicContact CG2-CD2 3.62Å; T171-L221 HydrophobicContact CG2-CG 4.2Å; E217-L221 VanDerWaalsContact O-CB 3.26Å; E217-L221 WeakPolarHBondContact O-CB 3.37Å; E217-L221 WeakPolarHBondContact O-CD1 3.33Å; E217-L221 WeakPolarHBondContact O-CG 3.5Å; E217-L221 PolarHBondContact O-N 3.13Å; I218-L221 PolarHBondContact O-N 3.22Å; L221-Q225 WeakPolarHBondContact O-CB 3.38Å; L221-Q225 VanDerWaalsContact O-CG 3.28Å; L221-Q225 WeakPolarHBondContact O-CG 3.48Å; L221-Q225 PolarHBondContact O-N 3.18Å; L221-Q225 PolarHBondContact O-NE2 3.01Å; L221-Q225 VanDerWaalsContact O-NE2 3.1Å |
| 222 | S | 88.1 | Confident | 81 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.028 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67 | -43.5 | 176.2 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | I218 R220 M226 D236 | I218-S222 WeakPolarHBondContact O-CB 3.37Å; I218-S222 PolarHBondContact O-N 2.89Å; I218-S222 PolarHBondContact O-OG 3.29Å; R220-S222 VanDerWaalsContact C-N 3.34Å; R220-S222 PolarHBondContact O-N 2.9Å; S222-M226 WeakPolarHBondContact O-CG 3.24Å; S222-M226 PolarHBondContact O-N 3.34Å; S222-D236 VanDerWaalsContact CB-OD2 3.24Å; S222-D236 WeakPolarHBondContact CB-OD2 3.34Å; S222-D236 PolarHBondContact OG-OD1 3.4Å; S222-D236 PolarHBondContact OG-OD2 3.2Å |
| 223 | R | 86 | Confident | 78.9 | Confident | 28 Ų | 28 | 60 Ų | 60 | 11% | 0.106 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 177.5 | -73.6 | 174.3 | 177.5 | 175.8 | 1.4 | 112.1 | I219 R220 M226 F227 L239 E243 T274 L275 E277 | I219-R223 WeakPolarHBondContact O-CB 3.45Å; I219-R223 VanDerWaalsContact O-CG 3.25Å; I219-R223 WeakPolarHBondContact O-CG 3.37Å; I219-R223 PolarHBondContact O-N 3.43Å; I219-R223 VanDerWaalsContact O-N 3.14Å; R220-R223 PolarHBondContact O-N 2.87Å; R223-M226 WeakPolarHBondContact O-CB 3.21Å; R223-M226 PolarHBondContact O-N 2.83Å; R223-F227 VanDerWaalsContact O-CD2 3.26Å; R223-F227 WeakPolarHBondContact O-CD2 3.43Å; R223-F227 PolarHBondContact O-N 3.35Å; R223-L239 HydrophobicContact CG-CD1 4.5Å; R223-L239 HydrophobicContact CG-CD2 3.89Å; R223-E243 IonicContact CZ-OE1 3.62Å; R223-E243 IonicContact NE-OE1 2.72Å; R223-E243 IonicContact NH2-OE1 3.47Å; R223-E243 PolarHBondContact NH2-OE1 2.99Å; R223-T274 PolarHBondContact NH1-O 2.94Å; R223-L275 PolarHBondContact NH1-O 3.13Å; R223-L275 PolarHBondContact NH2-O 2.94Å; R223-E277 PolarHBondContact NH1-O 3.2Å |
| 224 | D | 82.5 | Confident | 77.2 | Confident | 58 Ų | 58 | 62 Ų | 62 | 31% | 0.31 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.3 | -34 | 178.8 | -80.3 | 4.8 | 0 | 0 | 0 | 112.8 | R220 M226 F227 Q228 R279 | R220-D224 WeakPolarHBondContact O-CB 3.27Å; R220-D224 PolarHBondContact O-N 3.08Å; D224-M226 VanDerWaalsContact C-N 3.32Å; D224-M226 PolarHBondContact O-N 2.9Å; D224-F227 PolarHBondContact O-N 2.9Å; D224-Q228 PolarHBondContact O-N 2.73Å; D224-Q228 VanDerWaalsContact O-N 3.14Å; D224-R279 IonicContact OD1-CZ 2.8Å; D224-R279 IonicContact OD1-NH1 3.25Å; D224-R279 PolarHBondContact OD1-NH1 3.15Å; D224-R279 IonicContact OD2-NH1 3.72Å; D224-R279 PolarHBondContact OD2-NH1 3.16Å |
| 225 | Q | 76.4 | Confident | 76 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 19% | 0.187 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 169.7 | -79.2 | 175.3 | 86.3 | 0 | 0 | 112.4 | L221 F227 Q228 V229 | L221-Q225 WeakPolarHBondContact O-CB 3.38Å; L221-Q225 VanDerWaalsContact O-CG 3.28Å; L221-Q225 WeakPolarHBondContact O-CG 3.48Å; L221-Q225 PolarHBondContact O-N 3.18Å; L221-Q225 PolarHBondContact O-NE2 3.01Å; L221-Q225 VanDerWaalsContact O-NE2 3.1Å; Q225-F227 VanDerWaalsContact C-N 3.28Å; Q225-F227 PolarHBondContact O-N 2.83Å; Q225-Q228 PolarHBondContact O-N 3.4Å; Q225-V229 WeakPolarHBondContact O-CG2 3.47Å; Q225-V229 PolarHBondContact O-N 3.06Å; Q225-V229 VanDerWaalsContact O-N 3.1Å |
| 226 | M | 72.6 | Confident | 75.5 | Confident | 81 Ų | 81 | 66.5 Ų | 66.5 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.9 | -26.5 | 174.7 | -69.5 | 179 | 70.2 | 0 | 0 | 113.4 | S222 R223 D224 L239 F298 | S222-M226 WeakPolarHBondContact O-CG 3.24Å; S222-M226 PolarHBondContact O-N 3.34Å; R223-M226 WeakPolarHBondContact O-CB 3.21Å; R223-M226 PolarHBondContact O-N 2.83Å; D224-M226 VanDerWaalsContact C-N 3.32Å; D224-M226 PolarHBondContact O-N 2.9Å; M226-L239 HydrophobicContact SD-CD2 4.09Å; M226-F298 HydrophobicContact CE-CE1 4.33Å; M226-F298 HydrophobicContact CE-CZ 4.49Å |
| 227 | F | 68.2 | Low | 75.3 | Confident | 90 Ų | 90 | 67 Ų | 67 | 40% | 0.395 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -76.5 | -40.5 | 172.9 | -79.4 | -72.1 | 0 | 0 | 0 | 112.8 | R223 D224 Q225 F298 | R223-F227 VanDerWaalsContact O-CD2 3.26Å; R223-F227 WeakPolarHBondContact O-CD2 3.43Å; R223-F227 PolarHBondContact O-N 3.35Å; D224-F227 PolarHBondContact O-N 2.9Å; Q225-F227 VanDerWaalsContact C-N 3.28Å; Q225-F227 PolarHBondContact O-N 2.83Å; F227-F298 HydrophobicContact CD2-CE2 4.48Å; F227-F298 HydrophobicContact CE1-CD2 4.36Å; F227-F298 AromaticContact CE1-CE2 3.85Å; F227-F298 HydrophobicContact CE1-CE2 3.85Å; F227-F298 HydrophobicContact CE2-CD2 4.16Å; F227-F298 AromaticContact CE2-CE2 3.78Å; F227-F298 HydrophobicContact CE2-CE2 3.78Å; F227-F298 AromaticContact CZ-CD2 3.66Å; F227-F298 HydrophobicContact CZ-CD2 3.66Å; F227-F298 AromaticContact CZ-CE2 3.43Å; F227-F298 HydrophobicContact CZ-CE2 3.43Å; F227-F298 VanDerWaalsContact CZ-CE2 3.43Å |
| 228 | Q | 66.5 | Low | 75.3 | Confident | 158 Ų | 158 | 64.4 Ų | 64.4 | 74% | 0.738 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -73 | -39 | -176.6 | -68.9 | 179.3 | -1.1 | 0 | 0 | 112.7 | D224 Q225 Q230 | D224-Q228 PolarHBondContact O-N 2.73Å; D224-Q228 VanDerWaalsContact O-N 3.14Å; Q225-Q228 PolarHBondContact O-N 3.4Å; Q228-Q230 PolarHBondContact O-N 3.28Å; Q228-Q230 VanDerWaalsContact O-N 3.16Å |
| 229 | V | 59.8 | Low | 75.2 | Confident | 46 Ų | 46 | 64.8 Ų | 64.8 | 28% | 0.279 | 35% | 0.354 | S | S | . | . | trans | -91.1 | 76.9 | -174.7 | -169.8 | 0 | 0 | 0 | 0 | 111.4 | Q225 G231 C232 | Q225-V229 WeakPolarHBondContact O-CG2 3.47Å; Q225-V229 PolarHBondContact O-N 3.06Å; Q225-V229 VanDerWaalsContact O-N 3.1Å; V229-G231 PolarHBondContact O-N 2.91Å; V229-C232 HydrophobicContact CB-CB 4.14Å; V229-C232 HydrophobicContact CG1-CB 3.69Å; V229-C232 PolarHBondContact O-N 2.74Å | ||
| 230 | Q | 50.6 | Low | 75.2 | Confident | 194 Ų | 194 | 66.6 Ų | 66.6 | 91% | 0.907 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 98 | 168.4 | -68.1 | -169.5 | 13.7 | 0 | 0 | 110.6 | Q228 | Q228-Q230 PolarHBondContact O-N 3.28Å; Q228-Q230 VanDerWaalsContact O-N 3.16Å |
| 231 | G | 50.5 | Low | 75.4 | Confident | 74 Ų | 74 | 62.6 Ų | 62.6 | 76% | 0.763 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 129.9 | -7.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | V229 S233 | V229-G231 PolarHBondContact O-N 2.91Å; G231-S233 PolarHBondContact O-N 3.4Å |
| 232 | C | 49.8 | Very low | 75.7 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 53% | 0.527 | 34% | 0.342 | S | S | . | . | trans | -71.6 | 116.7 | 170.5 | -125 | 0 | 0 | 0 | 0 | 109.9 | V229 | V229-C232 HydrophobicContact CB-CB 4.14Å; V229-C232 HydrophobicContact CG1-CB 3.69Å; V229-C232 PolarHBondContact O-N 2.74Å | ||
| 233 | S | 53.1 | Low | 75.9 | Confident | 119 Ų | 119 | 61.4 Ų | 61.4 | 83% | 0.832 | 35% | 0.347 | S | S | * | . | trans | -92 | -12.1 | -177.7 | 58 | 0 | 0 | 0 | 0 | 114.6 | G231 | G231-S233 PolarHBondContact O-N 3.4Š| ||
| 234 | E | 62.5 | Low | 76.3 | Confident | 130 Ų | 130 | 64.4 Ų | 64.4 | 61% | 0.607 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -104.8 | 132.5 | -178.9 | -62.2 | -171.2 | 156.4 | 0 | 0 | 110 | ||
| 235 | P | 71.8 | Confident | 76.9 | Confident | 82 Ų | 82 | 65.5 Ų | 65.5 | 53% | 0.532 | 36% | 0.364 | S | S | . | . | trans | -70.8 | 153.3 | 178 | 31.4 | -35.4 | 0 | 0 | 0 | 110.7 | A240 | P235-A240 HydrophobicContact CG-CB 4.45Š| ||
| 236 | D | 88.1 | Confident | 77.9 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 7% | 0.07 | 39% | 0.389 | C | S | . | . | trans | -56.1 | 128 | 172.8 | 177.5 | -55.2 | 0 | 0 | 0 | 110.4 | S222 L238 L239 A240 | S222-D236 VanDerWaalsContact CB-OD2 3.24Å; S222-D236 WeakPolarHBondContact CB-OD2 3.34Å; S222-D236 PolarHBondContact OG-OD1 3.4Å; S222-D236 PolarHBondContact OG-OD2 3.2Å; D236-L238 VanDerWaalsContact C-N 3.33Å; D236-L238 PolarHBondContact O-N 3.31Å; D236-L238 WeakPolarHBondContact OD1-CA 3.4Å; D236-L238 VanDerWaalsContact OD1-CB 3.31Å; D236-L238 WeakPolarHBondContact OD1-CB 3.45Å; D236-L238 PolarHBondContact OD1-N 3.31Å; D236-L239 HydrophobicContact CB-CB 3.97Å; D236-L239 PolarHBondContact O-N 2.74Å; D236-L239 PolarHBondContact OD1-N 3.22Å; D236-A240 WeakPolarHBondContact O-CB 3.3Å; D236-A240 PolarHBondContact O-N 2.84Å | ||
| 237 | P | 92.6 | Very high | 79 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 10% | 0.097 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -25.5 | -172.9 | 30.5 | -37.3 | 0 | 0 | 0 | 113.4 | L183 N184 N187 T241 | L183-P237 HydrophobicContact CB-CG 3.75Å; N184-P237 WeakPolarHBondContact OD1-CG 3.24Å; N187-P237 HydrophobicContact CB-CB 4.17Å; N187-P237 PolarHBondContact OD1-O 3.32Å; P237-T241 WeakPolarHBondContact O-CB 3.34Å; P237-T241 PolarHBondContact O-N 3.22Å; P237-T241 PolarHBondContact O-OG1 3.19Å; P237-T241 VanDerWaalsContact O-OG1 3.08Å |
| 238 | L | 94.7 | Very high | 80.4 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -45.3 | 175.4 | -60.8 | 178.7 | 0 | 0 | 0 | 110.1 | L170 L183 L186 N187 V191 I192 I218 D236 T241 L242 | L170-L238 HydrophobicContact CD2-CD1 3.81Å; L183-L238 HydrophobicContact CD2-CD1 3.62Å; L183-L238 HydrophobicContact CD2-CG 4.3Å; L186-L238 HydrophobicContact CB-CD2 4.41Å; N187-L238 HydrophobicContact CB-CD2 3.81Å; V191-L238 HydrophobicContact CG1-CD2 3.71Å; I192-L238 HydrophobicContact CD1-CB 4.2Å; I192-L238 HydrophobicContact CD1-CD2 4.25Å; I192-L238 HydrophobicContact CG1-CB 4.35Å; I192-L238 HydrophobicContact CG1-CD2 3.99Å; I218-L238 HydrophobicContact CG2-CB 4Å; I218-L238 HydrophobicContact CG2-CD1 4.4Å; D236-L238 VanDerWaalsContact C-N 3.33Å; D236-L238 PolarHBondContact O-N 3.31Å; D236-L238 WeakPolarHBondContact OD1-CA 3.4Å; D236-L238 VanDerWaalsContact OD1-CB 3.31Å; D236-L238 WeakPolarHBondContact OD1-CB 3.45Å; D236-L238 PolarHBondContact OD1-N 3.31Å; L238-T241 CarbonylContact O-C 3.59Å; L238-T241 PolarHBondContact O-N 3.24Å; L238-T241 VanDerWaalsContact O-N 3.13Å; L238-L242 PolarHBondContact O-N 2.72Å |
| 239 | L | 93 | Very high | 81.8 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 173.8 | -177.3 | 64.7 | 0 | 0 | 0 | 111.3 | I219 R223 M226 D236 T241 L242 E243 | I219-L239 HydrophobicContact CG1-CD1 4.49Å; I219-L239 HydrophobicContact CG2-CD1 4.22Å; R223-L239 HydrophobicContact CG-CD1 4.5Å; R223-L239 HydrophobicContact CG-CD2 3.89Å; M226-L239 HydrophobicContact SD-CD2 4.09Å; D236-L239 HydrophobicContact CB-CB 3.97Å; D236-L239 PolarHBondContact O-N 2.74Å; D236-L239 PolarHBondContact OD1-N 3.22Å; L239-T241 PolarHBondContact O-N 3.47Å; L239-T241 VanDerWaalsContact O-N 3.16Å; L239-L242 PolarHBondContact O-N 2.72Å; L239-E243 HydrophobicContact CD1-CG 4.03Å; L239-E243 HydrophobicContact CG-CG 4.4Å; L239-E243 PolarHBondContact O-N 2.97Å |
| 240 | A | 92.3 | Very high | 83.5 | Confident | 40 Ų | 40 | 58.8 Ų | 58.8 | 33% | 0.331 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.8 | -17.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | P235 D236 K244 | P235-A240 HydrophobicContact CG-CB 4.45Å; D236-A240 WeakPolarHBondContact O-CB 3.3Å; D236-A240 PolarHBondContact O-N 2.84Å; A240-K244 WeakPolarHBondContact O-CE 3.39Å; A240-K244 WeakPolarHBondContact O-CG 3.45Å |
| 241 | T | 95 | Very high | 85.6 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -86.9 | -40.6 | 168.6 | -73.4 | 0 | 0 | 0 | 0 | 112.3 | N187 I192 P237 L238 L239 E243 K244 T247 | N187-T241 PolarHBondContact OD1-OG1 2.89Å; I192-T241 HydrophobicContact CB-CG2 3.97Å; I192-T241 HydrophobicContact CG1-CG2 4.19Å; I192-T241 HydrophobicContact CG2-CG2 4.01Å; P237-T241 WeakPolarHBondContact O-CB 3.34Å; P237-T241 PolarHBondContact O-N 3.22Å; P237-T241 PolarHBondContact O-OG1 3.19Å; P237-T241 VanDerWaalsContact O-OG1 3.08Å; L238-T241 CarbonylContact O-C 3.59Å; L238-T241 PolarHBondContact O-N 3.24Å; L238-T241 VanDerWaalsContact O-N 3.13Å; L239-T241 PolarHBondContact O-N 3.47Å; L239-T241 VanDerWaalsContact O-N 3.16Å; T241-E243 PolarHBondContact O-N 2.91Å; T241-K244 WeakPolarHBondContact O-CB 3.42Å; T241-K244 PolarHBondContact O-N 2.86Å; T241-K244 PolarHBondContact OG1-NZ 3.11Å; T241-T247 PolarHBondContact O-OG1 3.03Å |
| 242 | L | 94.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 177 | -88 | 159.8 | 0 | 0 | 0 | 113.8 | I192 L215 I218 I219 L238 L239 K244 | I192-L242 HydrophobicContact CD1-CD1 3.7Å; I192-L242 HydrophobicContact CD1-CG 3.91Å; I192-L242 HydrophobicContact CG1-CD1 4.47Å; I192-L242 HydrophobicContact CG1-CG 4.23Å; I192-L242 HydrophobicContact CG2-CD2 3.77Å; I192-L242 HydrophobicContact CG2-CG 3.75Å; L215-L242 HydrophobicContact CD2-CD1 4.43Å; L215-L242 HydrophobicContact CD2-CD2 4.06Å; I218-L242 HydrophobicContact CB-CD1 4.4Å; I218-L242 HydrophobicContact CG2-CD1 3.69Å; I219-L242 HydrophobicContact CG1-CD1 3.89Å; L238-L242 PolarHBondContact O-N 2.72Å; L239-L242 PolarHBondContact O-N 2.72Å; L242-K244 PolarHBondContact O-N 3.31Å |
| 243 | E | 93.4 | Very high | 89.9 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 4.6 | 179.3 | -58.9 | -165.4 | 161.8 | 0 | 0 | 113.5 | R223 L239 T241 L275 N301 S303 I304 | R223-E243 IonicContact CZ-OE1 3.62Å; R223-E243 IonicContact NE-OE1 2.72Å; R223-E243 IonicContact NH2-OE1 3.47Å; R223-E243 PolarHBondContact NH2-OE1 2.99Å; L239-E243 HydrophobicContact CD1-CG 4.03Å; L239-E243 HydrophobicContact CG-CG 4.4Å; L239-E243 PolarHBondContact O-N 2.97Å; T241-E243 PolarHBondContact O-N 2.91Å; E243-L275 HydrophobicContact CG-CD2 4.13Å; E243-N301 HydrophobicContact CB-CB 4.31Å; E243-N301 VanDerWaalsContact OE2-CB 3.32Å; E243-N301 WeakPolarHBondContact OE2-CB 3.12Å; E243-N301 PolarHBondContact OE2-ND2 3.46Å; E243-S303 WeakPolarHBondContact O-CB 3.38Å; E243-S303 PolarHBondContact O-OG 2.88Å; E243-I304 HydrophobicContact CB-CD1 4.17Å; E243-I304 HydrophobicContact CB-CG1 4.39Å; E243-I304 HydrophobicContact CG-CD1 3.99Å |
| 244 | K | 94.7 | Very high | 91.7 | Very high | 92 Ų | 92 | 38.1 Ų | 38.1 | 40% | 0.4 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -71.2 | 135.8 | 173 | -73.1 | 166.5 | -173.4 | 151.5 | 0 | 110.9 | A240 T241 L242 E246 T247 V248 | A240-K244 WeakPolarHBondContact O-CE 3.39Å; A240-K244 WeakPolarHBondContact O-CG 3.45Å; T241-K244 WeakPolarHBondContact O-CB 3.42Å; T241-K244 PolarHBondContact O-N 2.86Å; T241-K244 PolarHBondContact OG1-NZ 3.11Å; L242-K244 PolarHBondContact O-N 3.31Å; K244-E246 VanDerWaalsContact C-N 3.28Å; K244-E246 PolarHBondContact O-N 3.31Å; K244-T247 PolarHBondContact O-N 3.19Å; K244-V248 PolarHBondContact O-N 3.39Å; K244-V248 VanDerWaalsContact O-N 3.12Å |
| 245 | Q | 95.5 | Very high | 93.1 | Very high | 80 Ų | 80 | 32 Ų | 32 | 37% | 0.374 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -49.5 | -48 | 175.1 | -172.9 | -171.4 | -15.7 | 0 | 0 | 111.8 | T247 V248 E249 A307 | Q245-T247 VanDerWaalsContact C-N 3.31Å; Q245-T247 PolarHBondContact O-N 3.44Å; Q245-V248 PolarHBondContact O-N 3.12Å; Q245-E249 HydrophobicContact CG-CG 4.33Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.46Å; Q245-E249 PolarHBondContact NE2-OE1 3Å; Q245-E249 WeakPolarHBondContact O-CB 3.46Å; Q245-E249 WeakPolarHBondContact O-CG 3.17Å; Q245-E249 PolarHBondContact O-N 3.1Å; Q245-A307 HydrophobicContact CG-CB 3.93Å |
| 246 | E | 96 | Very high | 94.1 | Very high | 149 Ų | 149 | 30.3 Ų | 30.3 | 70% | 0.696 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -55.1 | -40.4 | 177.6 | -177.8 | -179.7 | -163.6 | 0 | 0 | 113.4 | K244 E249 Q250 | K244-E246 VanDerWaalsContact C-N 3.28Å; K244-E246 PolarHBondContact O-N 3.31Å; E246-E249 PolarHBondContact O-N 3.38Å; E246-Q250 WeakPolarHBondContact O-CB 3.45Å; E246-Q250 PolarHBondContact O-N 3.33Å |
| 247 | T | 96.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -75.2 | -36 | -178.7 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | I192 V196 T241 K244 Q245 Q250 L251 | I192-T247 HydrophobicContact CG2-CG2 3.88Å; V196-T247 HydrophobicContact CG2-CG2 4.15Å; T241-T247 PolarHBondContact O-OG1 3.03Å; K244-T247 PolarHBondContact O-N 3.19Å; Q245-T247 VanDerWaalsContact C-N 3.31Å; Q245-T247 PolarHBondContact O-N 3.44Å; T247-Q250 PolarHBondContact O-N 3.18Å; T247-L251 PolarHBondContact O-N 3.07Å |
| 248 | V | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.8 | -37.9 | 172.2 | -177.9 | 0 | 0 | 0 | 0 | 111 | K244 Q245 L251 L252 L272 L275 I304 A307 V308 | K244-V248 PolarHBondContact O-N 3.39Å; K244-V248 VanDerWaalsContact O-N 3.12Å; Q245-V248 PolarHBondContact O-N 3.12Å; V248-L251 PolarHBondContact O-N 3.49Å; V248-L252 HydrophobicContact CG1-CD1 3.97Å; V248-L252 WeakPolarHBondContact O-CB 3.42Å; V248-L252 WeakPolarHBondContact O-CD1 3.37Å; V248-L252 VanDerWaalsContact O-CG 3.22Å; V248-L252 WeakPolarHBondContact O-CG 3.48Å; V248-L252 PolarHBondContact O-N 2.98Å; V248-L272 HydrophobicContact CG1-CD2 3.89Å; V248-L275 HydrophobicContact CG2-CD1 4.14Å; V248-I304 HydrophobicContact CG1-CG2 4.43Å; V248-I304 HydrophobicContact CG2-CG1 4.38Å; V248-I304 HydrophobicContact CG2-CG2 4.39Å; V248-A307 HydrophobicContact CB-CB 3.66Å; V248-A307 HydrophobicContact CG1-CB 3.52Å; V248-V308 HydrophobicContact CG1-CG2 4.14Å |
| 249 | E | 95.9 | Very high | 92.3 | Very high | 74 Ų | 74 | 46.5 Ų | 46.5 | 35% | 0.346 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.6 | -35.5 | 173.6 | -74.6 | 179.7 | 179.3 | 0 | 0 | 112.5 | Q245 E246 L252 S253 A307 | Q245-E249 HydrophobicContact CG-CG 4.33Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.46Å; Q245-E249 PolarHBondContact NE2-OE1 3Å; Q245-E249 WeakPolarHBondContact O-CB 3.46Å; Q245-E249 WeakPolarHBondContact O-CG 3.17Å; Q245-E249 PolarHBondContact O-N 3.1Å; E246-E249 PolarHBondContact O-N 3.38Å; E249-L252 PolarHBondContact O-N 3.48Å; E249-S253 WeakPolarHBondContact O-CB 3.39Å; E249-S253 PolarHBondContact O-N 3.04Å; E249-A307 HydrophobicContact CG-CB 3.81Å |
| 250 | Q | 95.3 | Very high | 92 | Very high | 49 Ų | 49 | 50.4 Ų | 50.4 | 23% | 0.229 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.4 | -41 | 172.6 | -172.1 | -178.2 | -7.9 | 0 | 0 | 112.3 | V196 D197 E246 T247 L252 S253 N254 | V196-Q250 HydrophobicContact CG1-CB 4.16Å; V196-Q250 HydrophobicContact CG1-CG 3.7Å; D197-Q250 PolarHBondContact OD1-NE2 2.86Å; E246-Q250 WeakPolarHBondContact O-CB 3.45Å; E246-Q250 PolarHBondContact O-N 3.33Å; T247-Q250 PolarHBondContact O-N 3.18Å; Q250-L252 VanDerWaalsContact C-N 3.31Å; Q250-L252 PolarHBondContact O-N 3.18Å; Q250-S253 PolarHBondContact O-N 3.37Å; Q250-S253 PolarHBondContact O-OG 2.94Å; Q250-N254 PolarHBondContact O-N 2.72Å |
| 251 | L | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 171.5 | -82.3 | 164.8 | 0 | 0 | 0 | 111.5 | V196 T247 V248 V268 I271 | V196-L251 HydrophobicContact CB-CD2 4.36Å; V196-L251 HydrophobicContact CB-CG 4.48Å; V196-L251 HydrophobicContact CG1-CD2 3.97Å; V196-L251 HydrophobicContact CG1-CG 3.87Å; V196-L251 HydrophobicContact CG2-CD1 4.26Å; V196-L251 HydrophobicContact CG2-CD2 3.95Å; V196-L251 HydrophobicContact CG2-CG 3.87Å; T247-L251 PolarHBondContact O-N 3.07Å; V248-L251 PolarHBondContact O-N 3.49Å; L251-V268 HydrophobicContact CB-CG1 4.18Å; L251-V268 HydrophobicContact CD2-CG2 4.04Å; L251-I271 HydrophobicContact CD1-CG2 3.92Å; L251-I271 HydrophobicContact CD2-CD1 3.74Å |
| 252 | L | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.1 | -34.7 | 178.8 | -68.5 | 162.7 | 0 | 0 | 0 | 112.9 | V248 E249 Q250 I255 F256 L272 A307 V308 R311 F315 | V248-L252 HydrophobicContact CG1-CD1 3.97Å; V248-L252 WeakPolarHBondContact O-CB 3.42Å; V248-L252 WeakPolarHBondContact O-CD1 3.37Å; V248-L252 VanDerWaalsContact O-CG 3.22Å; V248-L252 WeakPolarHBondContact O-CG 3.48Å; V248-L252 PolarHBondContact O-N 2.98Å; E249-L252 PolarHBondContact O-N 3.48Å; Q250-L252 VanDerWaalsContact C-N 3.31Å; Q250-L252 PolarHBondContact O-N 3.18Å; L252-I255 WeakPolarHBondContact O-CG1 3.35Å; L252-F256 HydrophobicContact CD2-CE2 3.98Å; L252-F256 WeakPolarHBondContact O-CD2 3.3Å; L252-F256 PolarHBondContact O-N 2.76Å; L252-L272 HydrophobicContact CD2-CD1 4.03Å; L252-A307 HydrophobicContact CD1-CB 4.44Å; L252-A307 VanDerWaalsContact CD1-O 3.31Å; L252-A307 WeakPolarHBondContact CD1-O 3.42Å; L252-V308 HydrophobicContact CD1-CG2 4.1Å; L252-R311 HydrophobicContact CB-CG 4.17Å; L252-R311 HydrophobicContact CD1-CG 4.02Å; L252-R311 HydrophobicContact CD2-CB 4.34Å; L252-R311 HydrophobicContact CD2-CG 4.45Å; L252-R311 HydrophobicContact CG-CG 4.46Å; L252-F315 HydrophobicContact CD2-CE2 3.62Å; L252-F315 HydrophobicContact CD2-CZ 3.58Å |
| 253 | S | 94.1 | Very high | 91.8 | Very high | 26 Ų | 26 | 53 Ų | 53 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 177.5 | 69.6 | 0 | 0 | 0 | 0 | 111.5 | E249 Q250 I255 F256 E257 | E249-S253 WeakPolarHBondContact O-CB 3.39Å; E249-S253 PolarHBondContact O-N 3.04Å; Q250-S253 PolarHBondContact O-N 3.37Å; Q250-S253 PolarHBondContact O-OG 2.94Å; S253-I255 VanDerWaalsContact C-N 3.25Å; S253-I255 PolarHBondContact O-N 2.77Å; S253-I255 VanDerWaalsContact O-N 3.16Å; S253-F256 PolarHBondContact O-N 3.21Å; S253-E257 WeakPolarHBondContact CA-OE1 3.41Å; S253-E257 VanDerWaalsContact CB-CD 3.49Å; S253-E257 WeakPolarHBondContact CB-OE1 3.32Å; S253-E257 WeakPolarHBondContact O-CB 3.34Å; S253-E257 PolarHBondContact O-N 3.4Å |
| 254 | N | 91.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.027 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.9 | -37.7 | 179.9 | -87.1 | -21.4 | 0 | 0 | 0 | 113.7 | V196 V199 Q200 P201 Q250 K258 | V196-N254 PolarHBondContact O-ND2 2.93Å; V196-N254 VanDerWaalsContact O-ND2 3.1Å; V199-N254 WeakPolarHBondContact O-CB 3.43Å; V199-N254 PolarHBondContact O-ND2 2.8Å; Q200-N254 HydrophobicContact CB-CB 4.21Å; P201-N254 WeakPolarHBondContact CD-O 3.28Å; P201-N254 WeakPolarHBondContact CG-O 2.99Å; Q250-N254 PolarHBondContact O-N 2.72Å; N254-K258 PolarHBondContact OD1-NZ 3.23Å |
| 255 | I | 92.9 | Very high | 92 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -94.5 | -10.4 | -176.4 | 59.5 | 157.7 | 0 | 0 | 0 | 115.2 | L252 S253 A264 I265 V268 F315 | L252-I255 WeakPolarHBondContact O-CG1 3.35Å; S253-I255 VanDerWaalsContact C-N 3.25Å; S253-I255 PolarHBondContact O-N 2.77Å; S253-I255 VanDerWaalsContact O-N 3.16Å; I255-A264 HydrophobicContact CG2-CB 4.26Å; I255-A264 WeakPolarHBondContact CG2-O 3.4Å; I255-I265 HydrophobicContact CB-CG1 3.95Å; I255-I265 HydrophobicContact CG2-CG1 4.15Å; I255-V268 HydrophobicContact CD1-CB 4.04Å; I255-V268 HydrophobicContact CD1-CG1 3.75Å; I255-V268 HydrophobicContact CG1-CB 4.44Å; I255-V268 HydrophobicContact CG1-CG1 4.21Å; I255-V268 HydrophobicContact CG2-CB 3.93Å; I255-V268 HydrophobicContact CG2-CG2 3.51Å; I255-F315 HydrophobicContact CD1-CE1 4.16Å; I255-F315 HydrophobicContact CD1-CZ 4.31Å |
| 256 | F | 91.3 | Very high | 92 | Very high | 46 Ų | 46 | 45.1 Ų | 45.1 | 20% | 0.202 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -118.5 | -19.5 | -176 | -68.7 | -52.7 | 0 | 0 | 0 | 115 | L252 S253 R311 D314 F315 L318 | L252-F256 HydrophobicContact CD2-CE2 3.98Å; L252-F256 WeakPolarHBondContact O-CD2 3.3Å; L252-F256 PolarHBondContact O-N 2.76Å; S253-F256 PolarHBondContact O-N 3.21Å; F256-R311 HydrophobicContact CD2-CB 4.32Å; F256-R311 HydrophobicContact CE2-CB 3.98Å; F256-D314 HydrophobicContact CD1-CB 3.62Å; F256-D314 HydrophobicContact CD2-CB 4.21Å; F256-D314 HydrophobicContact CE1-CB 3.47Å; F256-D314 VanDerWaalsContact CE1-CB 3.47Å; F256-D314 HydrophobicContact CE2-CB 4.09Å; F256-D314 HydrophobicContact CG-CB 4Å; F256-D314 HydrophobicContact CZ-CB 3.73Å; F256-F315 HydrophobicContact CE2-CD2 4.31Å; F256-F315 HydrophobicContact CE2-CE1 4.17Å; F256-F315 AromaticContact CE2-CE2 3.97Å; F256-F315 HydrophobicContact CE2-CE2 3.97Å; F256-F315 AromaticContact CE2-CZ 3.89Å; F256-F315 HydrophobicContact CE2-CZ 3.89Å; F256-F315 AromaticContact CZ-CD1 3.7Å; F256-F315 HydrophobicContact CZ-CD1 3.7Å; F256-F315 HydrophobicContact CZ-CD2 4.05Å; F256-F315 AromaticContact CZ-CE1 3.69Å; F256-F315 HydrophobicContact CZ-CE1 3.69Å; F256-F315 HydrophobicContact CZ-CE2 4.05Å; F256-F315 AromaticContact CZ-CG 3.88Å; F256-F315 HydrophobicContact CZ-CG 3.88Å; F256-F315 AromaticContact CZ-CZ 3.87Å; F256-F315 HydrophobicContact CZ-CZ 3.87Å; F256-L318 HydrophobicContact CE1-CD1 3.7Å; F256-L318 HydrophobicContact CE1-CG 4.21Å; F256-L318 HydrophobicContact CZ-CD1 4.22Å |
| 257 | E | 82.1 | Confident | 92 | Very high | 133 Ų | 133 | 38.5 Ų | 38.5 | 62% | 0.621 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -102.9 | -6.6 | -176.3 | -65.7 | 167.4 | -145.4 | 0 | 0 | 113.5 | S253 R311 | S253-E257 WeakPolarHBondContact CA-OE1 3.41Å; S253-E257 VanDerWaalsContact CB-CD 3.49Å; S253-E257 WeakPolarHBondContact CB-OE1 3.32Å; S253-E257 WeakPolarHBondContact O-CB 3.34Å; S253-E257 PolarHBondContact O-N 3.4Å; E257-R311 IonicContact OE1-CZ 2.77Å; E257-R311 IonicContact OE1-NH1 3.17Å; E257-R311 IonicContact OE1-NH2 2.91Å; E257-R311 PolarHBondContact OE1-NH2 3.16Å |
| 258 | K | 76 | Confident | 92.1 | Very high | 93 Ų | 93 | 38.4 Ų | 38.4 | 40% | 0.404 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -119.1 | -178.9 | 177.8 | -66.8 | 167.6 | -174.7 | 163.8 | 0 | 109.9 | P201 N254 | P201-K258 HydrophobicContact CB-CB 4.37Å; P201-K258 HydrophobicContact CG-CB 3.98Å; N254-K258 PolarHBondContact OD1-NZ 3.23Å |
| 259 | D | 81.1 | Confident | 92.1 | Very high | 144 Ų | 144 | 38.4 Ų | 38.4 | 77% | 0.77 | 19% | 0.19 | S | C | * | . | trans | -57.5 | 141.1 | 176.3 | -74.2 | -62.4 | 0 | 0 | 0 | 112.9 | P201 N261 | P201-D259 VanDerWaalsContact CB-O 3.24Å; P201-D259 WeakPolarHBondContact CB-O 3.35Å; P201-D259 WeakPolarHBondContact CG-O 3.23Å; D259-N261 PolarHBondContact O-N 2.83Å | ||
| 260 | K | 85.2 | Confident | 92.2 | Very high | 91 Ų | 91 | 37 Ų | 37 | 40% | 0.396 | 18% | 0.184 | S | C | . | . | trans | -69.2 | 86.7 | -177.9 | -74.7 | -176 | 174.5 | 177.4 | 0 | 112.3 | I265 L318 E321 P323 | K260-I265 HydrophobicContact CB-CD1 4.43Å; K260-L318 HydrophobicContact CD-CD2 4.15Å; K260-E321 PolarHBondContact NZ-O 3.41Å; K260-P323 HydrophobicContact CB-CG 4.23Å | ||
| 261 | N | 91.4 | Very high | 92.3 | Very high | 43 Ų | 43 | 34.7 Ų | 34.7 | 23% | 0.23 | 17% | 0.173 | C | C | . | . | trans | -91.1 | 126.3 | 171.9 | -177.3 | -28.9 | 0 | 0 | 0 | 110.9 | P201 D259 S263 A264 I265 | P201-N261 HydrophobicContact CB-CB 3.64Å; P201-N261 HydrophobicContact CG-CB 4.1Å; P201-N261 PolarHBondContact O-ND2 2.83Å; D259-N261 PolarHBondContact O-N 2.83Å; N261-S263 PolarHBondContact OD1-N 3.4Å; N261-S263 VanDerWaalsContact OD1-N 3.12Å; N261-S263 PolarHBondContact OD1-OG 3.38Å; N261-A264 HydrophobicContact CB-CB 4.2Å; N261-I265 VanDerWaalsContact O-CD1 3.29Å; N261-I265 WeakPolarHBondContact O-CD1 3.32Å; N261-I265 WeakPolarHBondContact O-CG1 3.35Å; N261-I265 PolarHBondContact O-N 3.47Å; N261-I265 VanDerWaalsContact O-N 3.13Å | ||
| 262 | E | 92.4 | Very high | 92.4 | Very high | 39 Ų | 39 | 34.7 Ų | 34.7 | 18% | 0.182 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.6 | -41.6 | -175.3 | 176.5 | 162.6 | -138.6 | 0 | 0 | 114.3 | I265 V266 P323 K325 N341 T342 | E262-I265 PolarHBondContact O-N 3.21Å; E262-V266 HydrophobicContact CG-CG2 4.1Å; E262-V266 WeakPolarHBondContact O-CB 3.47Å; E262-V266 WeakPolarHBondContact O-CG2 3.41Å; E262-V266 PolarHBondContact O-N 2.85Å; E262-P323 HydrophobicContact CB-CB 4.42Å; E262-P323 HydrophobicContact CB-CG 4.23Å; E262-K325 WeakPolarHBondContact OE1-CE 3.45Å; E262-K325 IonicContact OE1-NZ 2.72Å; E262-K325 PolarHBondContact OE1-NZ 3.26Å; E262-K325 WeakPolarHBondContact OE2-CE 3.46Å; E262-K325 IonicContact OE2-NZ 3.2Å; E262-K325 PolarHBondContact OE2-NZ 3.46Å; E262-N341 PolarHBondContact OE1-N 2.99Å; E262-T342 WeakPolarHBondContact CG-OG1 3.5Å; E262-T342 PolarHBondContact OE1-N 3.08Å; E262-T342 PolarHBondContact OE1-OG1 3.27Å; E262-T342 VanDerWaalsContact OE1-OG1 3.08Å |
| 263 | S | 94.8 | Very high | 92.3 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 12% | 0.119 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.2 | -39.5 | -178.3 | 49.8 | 0 | 0 | 0 | 0 | 111 | H208 N261 I265 V266 S267 | H208-S263 PolarHBondContact ND1-OG 3.1Å; N261-S263 PolarHBondContact OD1-N 3.4Å; N261-S263 VanDerWaalsContact OD1-N 3.12Å; N261-S263 PolarHBondContact OD1-OG 3.38Å; S263-I265 PolarHBondContact O-N 2.96Å; S263-V266 PolarHBondContact O-N 3.07Å; S263-S267 WeakPolarHBondContact O-CB 3.31Å; S263-S267 PolarHBondContact O-N 3.18Å; S263-S267 PolarHBondContact O-OG 3.46Å |
| 264 | A | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P201 H208 I255 N261 S267 V268 | P201-A264 HydrophobicContact CG-CB 4.32Å; H208-A264 PolarHBondContact ND1-N 3.22Å; I255-A264 HydrophobicContact CG2-CB 4.26Å; I255-A264 WeakPolarHBondContact CG2-O 3.4Å; N261-A264 HydrophobicContact CB-CB 4.2Å; A264-S267 PolarHBondContact O-N 3.36Å; A264-V268 WeakPolarHBondContact O-CG2 3.31Å; A264-V268 PolarHBondContact O-N 3.07Å |
| 265 | I | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -44.8 | 177.7 | -67.6 | 160.1 | 0 | 0 | 0 | 111.4 | I255 K260 N261 E262 S263 V268 I269 L318 P323 T342 | I255-I265 HydrophobicContact CB-CG1 3.95Å; I255-I265 HydrophobicContact CG2-CG1 4.15Å; K260-I265 HydrophobicContact CB-CD1 4.43Å; N261-I265 VanDerWaalsContact O-CD1 3.29Å; N261-I265 WeakPolarHBondContact O-CD1 3.32Å; N261-I265 WeakPolarHBondContact O-CG1 3.35Å; N261-I265 PolarHBondContact O-N 3.47Å; N261-I265 VanDerWaalsContact O-N 3.13Å; E262-I265 PolarHBondContact O-N 3.21Å; S263-I265 PolarHBondContact O-N 2.96Å; I265-V268 PolarHBondContact O-N 2.88Å; I265-I269 HydrophobicContact CG2-CD1 3.67Å; I265-I269 HydrophobicContact CG2-CG1 4.42Å; I265-I269 VanDerWaalsContact O-CG1 3.23Å; I265-I269 WeakPolarHBondContact O-CG1 3.4Å; I265-I269 PolarHBondContact O-N 2.75Å; I265-L318 HydrophobicContact CD1-CD1 4.48Å; I265-L318 HydrophobicContact CD1-CD2 4.12Å; I265-L318 HydrophobicContact CG2-CD1 3.91Å; I265-P323 HydrophobicContact CD1-CG 3.83Å; I265-T342 HydrophobicContact CG2-CG2 3.98Å |
| 266 | V | 96.1 | Very high | 92.4 | Very high | 34 Ų | 34 | 33.8 Ų | 33.8 | 21% | 0.206 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.4 | -42.2 | 179.9 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | E262 S263 I269 Q270 N341 | E262-V266 HydrophobicContact CG-CG2 4.1Å; E262-V266 WeakPolarHBondContact O-CB 3.47Å; E262-V266 WeakPolarHBondContact O-CG2 3.41Å; E262-V266 PolarHBondContact O-N 2.85Å; S263-V266 PolarHBondContact O-N 3.07Å; V266-I269 PolarHBondContact O-N 3.12Å; V266-Q270 WeakPolarHBondContact O-CB 3.4Å; V266-Q270 PolarHBondContact O-N 3.42Å; V266-N341 HydrophobicContact CG2-CB 3.81Å |
| 267 | S | 97.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 35.1 Ų | 35.1 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.9 | -51.6 | 173.8 | -75.5 | 0 | 0 | 0 | 0 | 112.6 | H208 S212 S263 A264 I269 Q270 I271 | H208-S267 VanDerWaalsContact C-OG 3.26Å; H208-S267 PolarHBondContact O-OG 3.01Å; S212-S267 PolarHBondContact OG-O 3.32Å; S263-S267 WeakPolarHBondContact O-CB 3.31Å; S263-S267 PolarHBondContact O-N 3.18Å; S263-S267 PolarHBondContact O-OG 3.46Å; A264-S267 PolarHBondContact O-N 3.36Å; S267-I269 VanDerWaalsContact C-N 3.3Å; S267-I269 PolarHBondContact O-N 3.47Å; S267-Q270 PolarHBondContact O-N 2.82Å; S267-Q270 VanDerWaalsContact O-N 3.07Å; S267-I271 WeakPolarHBondContact O-CG1 3.45Å; S267-I271 PolarHBondContact O-N 3.5Å |
| 268 | V | 97.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 177.3 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | V199 L251 I255 A264 I265 Q270 I271 L272 | V199-V268 HydrophobicContact CB-CG2 4.5Å; V199-V268 HydrophobicContact CG1-CG2 3.63Å; L251-V268 HydrophobicContact CB-CG1 4.18Å; L251-V268 HydrophobicContact CD2-CG2 4.04Å; I255-V268 HydrophobicContact CD1-CB 4.04Å; I255-V268 HydrophobicContact CD1-CG1 3.75Å; I255-V268 HydrophobicContact CG1-CB 4.44Å; I255-V268 HydrophobicContact CG1-CG1 4.21Å; I255-V268 HydrophobicContact CG2-CB 3.93Å; I255-V268 HydrophobicContact CG2-CG2 3.51Å; A264-V268 WeakPolarHBondContact O-CG2 3.31Å; A264-V268 PolarHBondContact O-N 3.07Å; I265-V268 PolarHBondContact O-N 2.88Å; V268-Q270 VanDerWaalsContact C-N 3.34Å; V268-Q270 PolarHBondContact O-N 2.97Å; V268-I271 PolarHBondContact O-N 3.39Å; V268-L272 HydrophobicContact CG1-CD1 4.09Å; V268-L272 HydrophobicContact CG1-CG 4.46Å; V268-L272 VanDerWaalsContact O-CG 3.31Å; V268-L272 WeakPolarHBondContact O-CG 3.26Å; V268-L272 PolarHBondContact O-N 3.38Å |
| 269 | I | 97.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -38.2 | 175.6 | -65.1 | 166.5 | 0 | 0 | 0 | 111.3 | I265 V266 S267 L272 L273 F315 N345 V346 L349 | I265-I269 HydrophobicContact CG2-CD1 3.67Å; I265-I269 HydrophobicContact CG2-CG1 4.42Å; I265-I269 VanDerWaalsContact O-CG1 3.23Å; I265-I269 WeakPolarHBondContact O-CG1 3.4Å; I265-I269 PolarHBondContact O-N 2.75Å; V266-I269 PolarHBondContact O-N 3.12Å; S267-I269 VanDerWaalsContact C-N 3.3Å; S267-I269 PolarHBondContact O-N 3.47Å; I269-L272 PolarHBondContact O-N 3.07Å; I269-L273 HydrophobicContact CG2-CD1 4.04Å; I269-L273 HydrophobicContact CG2-CG 4.19Å; I269-L273 WeakPolarHBondContact O-CB 3.16Å; I269-L273 VanDerWaalsContact O-CG 3.26Å; I269-L273 WeakPolarHBondContact O-CG 3.39Å; I269-L273 PolarHBondContact O-N 3.3Å; I269-F315 HydrophobicContact CD1-CE1 4.17Å; I269-F315 HydrophobicContact CG1-CE1 3.83Å; I269-N345 HydrophobicContact CB-CB 4.28Å; I269-N345 HydrophobicContact CD1-CB 4.11Å; I269-N345 HydrophobicContact CG2-CB 3.81Å; I269-N345 WeakPolarHBondContact CG2-O 3.43Å; I269-V346 HydrophobicContact CD1-CG2 3.63Å; I269-L349 HydrophobicContact CG1-CD2 4.33Å; I269-L349 HydrophobicContact CG2-CB 3.97Å; I269-L349 HydrophobicContact CG2-CD2 4.33Å |
| 270 | Q | 97.2 | Very high | 88.9 | Confident | 45 Ų | 45 | 35.1 Ų | 35.1 | 21% | 0.21 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.9 | -35.4 | 178.3 | -171.6 | 51.1 | 70.9 | 0 | 0 | 112.3 | V266 S267 V268 L273 T274 | V266-Q270 WeakPolarHBondContact O-CB 3.4Å; V266-Q270 PolarHBondContact O-N 3.42Å; S267-Q270 PolarHBondContact O-N 2.82Å; S267-Q270 VanDerWaalsContact O-N 3.07Å; V268-Q270 VanDerWaalsContact C-N 3.34Å; V268-Q270 PolarHBondContact O-N 2.97Å; Q270-L273 PolarHBondContact O-N 2.89Å; Q270-T274 PolarHBondContact NE2-OG1 3.01Å; Q270-T274 PolarHBondContact O-N 2.87Å; Q270-T274 PolarHBondContact O-OG1 3.35Å |
| 271 | I | 97.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 169.8 | -61.3 | 160.6 | 0 | 0 | 0 | 110.4 | V199 L215 I219 L251 S267 V268 L273 T274 L275 | V199-I271 HydrophobicContact CG2-CD1 4.37Å; L215-I271 HydrophobicContact CB-CD1 4.31Å; L215-I271 HydrophobicContact CB-CG1 4.2Å; L215-I271 HydrophobicContact CD1-CD1 3.76Å; I219-I271 HydrophobicContact CD1-CG2 4.31Å; L251-I271 HydrophobicContact CD1-CG2 3.92Å; L251-I271 HydrophobicContact CD2-CD1 3.74Å; S267-I271 WeakPolarHBondContact O-CG1 3.45Å; S267-I271 PolarHBondContact O-N 3.5Å; V268-I271 PolarHBondContact O-N 3.39Å; I271-L273 PolarHBondContact O-N 3.3Å; I271-T274 PolarHBondContact O-N 2.95Å; I271-L275 HydrophobicContact CG2-CD1 4.31Å; I271-L275 WeakPolarHBondContact O-CG 3.49Å; I271-L275 PolarHBondContact O-N 3.48Å |
| 272 | L | 96.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 177 | -70.3 | 170.4 | 0 | 0 | 0 | 112.1 | V248 L252 V268 I269 T274 L275 F276 V308 F315 L349 | V248-L272 HydrophobicContact CG1-CD2 3.89Å; L252-L272 HydrophobicContact CD2-CD1 4.03Å; V268-L272 HydrophobicContact CG1-CD1 4.09Å; V268-L272 HydrophobicContact CG1-CG 4.46Å; V268-L272 VanDerWaalsContact O-CG 3.31Å; V268-L272 WeakPolarHBondContact O-CG 3.26Å; V268-L272 PolarHBondContact O-N 3.38Å; I269-L272 PolarHBondContact O-N 3.07Å; L272-T274 VanDerWaalsContact C-N 3.31Å; L272-T274 PolarHBondContact O-N 3.34Å; L272-L275 HydrophobicContact CD2-CD1 4.45Å; L272-L275 WeakPolarHBondContact O-CB 3.44Å; L272-L275 PolarHBondContact O-N 2.98Å; L272-F276 HydrophobicContact CB-CD2 4.46Å; L272-F276 HydrophobicContact CB-CE2 4.24Å; L272-F276 WeakPolarHBondContact O-CD2 3.15Å; L272-F276 WeakPolarHBondContact O-CG 3.47Å; L272-F276 PolarHBondContact O-N 3.39Å; L272-V308 HydrophobicContact CD2-CG2 3.82Å; L272-F315 HydrophobicContact CD1-CE2 4.45Å; L272-F315 HydrophobicContact CD1-CZ 3.81Å; L272-L349 HydrophobicContact CB-CD1 3.87Å; L272-L349 HydrophobicContact CD1-CD1 4.49Å; L272-L349 HydrophobicContact CD1-CD2 4.29Å |
| 273 | L | 95.3 | Very high | 81 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58 | -44.4 | 175 | -75.1 | 171.2 | 0 | 0 | 0 | 111.1 | I269 Q270 I271 F276 E277 R348 L349 S352 | I269-L273 HydrophobicContact CG2-CD1 4.04Å; I269-L273 HydrophobicContact CG2-CG 4.19Å; I269-L273 WeakPolarHBondContact O-CB 3.16Å; I269-L273 VanDerWaalsContact O-CG 3.26Å; I269-L273 WeakPolarHBondContact O-CG 3.39Å; I269-L273 PolarHBondContact O-N 3.3Å; Q270-L273 PolarHBondContact O-N 2.89Å; I271-L273 PolarHBondContact O-N 3.3Å; L273-F276 CarbonylContact O-C 3.53Å; L273-F276 VanDerWaalsContact O-C 3.3Å; L273-F276 WeakPolarHBondContact O-CA 3.26Å; L273-F276 PolarHBondContact O-N 3.44Å; L273-F276 VanDerWaalsContact O-N 3.15Å; L273-E277 PolarHBondContact O-N 3.07Å; L273-R348 HydrophobicContact CD1-CB 4.03Å; L273-R348 HydrophobicContact CD2-CB 4.17Å; L273-L349 HydrophobicContact CD2-CD1 4.45Å; L273-S352 VanDerWaalsContact CD2-OG 3.26Å; L273-S352 WeakPolarHBondContact CD2-OG 3.15Å |
| 274 | T | 95 | Very high | 78.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73.8 | -29.9 | 178.3 | -58.3 | 0 | 0 | 0 | 0 | 113.1 | C216 I219 R220 R223 Q270 I271 L272 F276 E277 | C216-T274 HydrophobicContact CB-CG2 4.11Å; I219-T274 HydrophobicContact CB-CG2 4.11Å; I219-T274 HydrophobicContact CD1-CG2 4.33Å; I219-T274 HydrophobicContact CG2-CG2 4.04Å; R220-T274 HydrophobicContact CG-CG2 4.04Å; R223-T274 PolarHBondContact NH1-O 2.94Å; Q270-T274 PolarHBondContact NE2-OG1 3.01Å; Q270-T274 PolarHBondContact O-N 2.87Å; Q270-T274 PolarHBondContact O-OG1 3.35Å; I271-T274 PolarHBondContact O-N 2.95Å; L272-T274 VanDerWaalsContact C-N 3.31Å; L272-T274 PolarHBondContact O-N 3.34Å; T274-F276 VanDerWaalsContact C-N 3.29Å; T274-F276 PolarHBondContact O-N 3.24Å; T274-E277 WeakPolarHBondContact CA-OE1 3.26Å; T274-E277 WeakPolarHBondContact CB-OE1 3.49Å; T274-E277 WeakPolarHBondContact O-CB 3.43Å; T274-E277 PolarHBondContact O-N 2.9Å; T274-E277 PolarHBondContact OG1-OE1 3.34Å |
| 275 | L | 93.3 | Very high | 75.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 165.1 | -75.3 | 173.9 | 0 | 0 | 0 | 111.6 | I219 R223 E243 V248 I271 L272 I304 | I219-L275 HydrophobicContact CD1-CD2 3.61Å; I219-L275 HydrophobicContact CD1-CG 3.74Å; I219-L275 HydrophobicContact CG1-CD2 4.06Å; R223-L275 PolarHBondContact NH1-O 3.13Å; R223-L275 PolarHBondContact NH2-O 2.94Å; E243-L275 HydrophobicContact CG-CD2 4.13Å; V248-L275 HydrophobicContact CG2-CD1 4.14Å; I271-L275 HydrophobicContact CG2-CD1 4.31Å; I271-L275 WeakPolarHBondContact O-CG 3.49Å; I271-L275 PolarHBondContact O-N 3.48Å; L272-L275 HydrophobicContact CD2-CD1 4.45Å; L272-L275 WeakPolarHBondContact O-CB 3.44Å; L272-L275 PolarHBondContact O-N 2.98Å; L275-I304 HydrophobicContact CB-CD1 4.31Å; L275-I304 HydrophobicContact CB-CG2 4.44Å; L275-I304 HydrophobicContact CD1-CG2 4.37Å; L275-I304 HydrophobicContact CD2-CD1 4.28Å |
| 276 | F | 90.8 | Very high | 72.2 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -1.2 | 174.5 | -61.9 | -50.3 | 0 | 0 | 0 | 115 | L272 L273 T274 T278 V300 I304 L305 V308 L349 L353 | L272-F276 HydrophobicContact CB-CD2 4.46Å; L272-F276 HydrophobicContact CB-CE2 4.24Å; L272-F276 WeakPolarHBondContact O-CD2 3.15Å; L272-F276 WeakPolarHBondContact O-CG 3.47Å; L272-F276 PolarHBondContact O-N 3.39Å; L273-F276 CarbonylContact O-C 3.53Å; L273-F276 VanDerWaalsContact O-C 3.3Å; L273-F276 WeakPolarHBondContact O-CA 3.26Å; L273-F276 PolarHBondContact O-N 3.44Å; L273-F276 VanDerWaalsContact O-N 3.15Å; T274-F276 VanDerWaalsContact C-N 3.29Å; T274-F276 PolarHBondContact O-N 3.24Å; F276-T278 VanDerWaalsContact C-N 3.27Å; F276-T278 PolarHBondContact O-N 2.93Å; F276-V300 HydrophobicContact CD1-CB 4.44Å; F276-V300 HydrophobicContact CD1-CG1 3.55Å; F276-V300 HydrophobicContact CD1-CG2 4.04Å; F276-V300 HydrophobicContact CE1-CG1 3.69Å; F276-I304 HydrophobicContact CE1-CG2 3.78Å; F276-I304 HydrophobicContact CZ-CG2 3.94Å; F276-L305 HydrophobicContact CE1-CD2 3.69Å; F276-L305 HydrophobicContact CE1-CG 4.45Å; F276-L305 HydrophobicContact CZ-CD2 4.29Å; F276-V308 HydrophobicContact CZ-CG2 4.15Å; F276-L349 HydrophobicContact CD2-CD1 3.92Å; F276-L349 HydrophobicContact CE2-CD1 3.78Å; F276-L353 HydrophobicContact CE1-CD2 4.24Å; F276-L353 HydrophobicContact CE2-CD2 3.8Å; F276-L353 HydrophobicContact CE2-CG 4.22Å; F276-L353 HydrophobicContact CZ-CD2 3.58Å; F276-L353 HydrophobicContact CZ-CG 4.48Å |
| 277 | E | 86.8 | Confident | 69.1 | Low | 74 Ų | 74 | 68.1 Ų | 68.1 | 35% | 0.346 | 34% | 0.344 | S | S | . | . | trans | -69.9 | 79.3 | 174.6 | -82.7 | 164.8 | -139.5 | 0 | 0 | 110.6 | R220 R223 L273 T274 R279 | R220-E277 IonicContact CZ-OE1 2.65Å; R220-E277 IonicContact CZ-OE2 3.56Å; R220-E277 IonicContact NE-OE2 3.65Å; R220-E277 PolarHBondContact NE-OE2 3.23Å; R220-E277 VanDerWaalsContact NH2-CD 3.33Å; R220-E277 IonicContact NH2-OE1 3.2Å; R220-E277 PolarHBondContact NH2-OE1 3.29Å; R220-E277 IonicContact NH2-OE2 2.78Å; R220-E277 PolarHBondContact NH2-OE2 2.78Å; R223-E277 PolarHBondContact NH1-O 3.2Å; L273-E277 PolarHBondContact O-N 3.07Å; T274-E277 WeakPolarHBondContact CA-OE1 3.26Å; T274-E277 WeakPolarHBondContact CB-OE1 3.49Å; T274-E277 WeakPolarHBondContact O-CB 3.43Å; T274-E277 PolarHBondContact O-N 2.9Å; T274-E277 PolarHBondContact OG1-OE1 3.34Å; E277-R279 PolarHBondContact O-N 3.06Å | ||
| 278 | T | 67.4 | Low | 66 | Low | 42 Ų | 42 | 76.4 Ų | 76.4 | 26% | 0.258 | 38% | 0.381 | S | S | . | . | trans | -69.3 | 96.7 | 167 | 65.6 | 0 | 0 | 0 | 0 | 108.2 | F276 R280 F298 V300 Q355 | F276-T278 VanDerWaalsContact C-N 3.27Å; F276-T278 PolarHBondContact O-N 2.93Å; T278-R280 PolarHBondContact O-N 3.27Å; T278-F298 VanDerWaalsContact CG2-O 3.22Å; T278-F298 WeakPolarHBondContact CG2-O 3.48Å; T278-V300 HydrophobicContact CG2-CG2 3.52Å; T278-Q355 PolarHBondContact OG1-NE2 2.95Å; T278-Q355 VanDerWaalsContact OG1-NE2 3.14Å | ||
| 279 | R | 57.3 | Low | 62.7 | Low | 138 Ų | 138 | 79.2 Ų | 79.2 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | trans | -55.1 | 107.9 | 178 | -174.4 | 172.3 | -178.3 | 166.6 | 2.5 | 108.9 | D224 E277 | D224-R279 IonicContact OD1-CZ 2.8Å; D224-R279 IonicContact OD1-NH1 3.25Å; D224-R279 PolarHBondContact OD1-NH1 3.15Å; D224-R279 IonicContact OD2-NH1 3.72Å; D224-R279 PolarHBondContact OD2-NH1 3.16Å; E277-R279 PolarHBondContact O-N 3.06Å | ||
| 280 | R | 45.2 | Very low | 59.5 | Low | 190 Ų | 190 | 83.5 Ų | 83.5 | 72% | 0.717 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -61 | 142.3 | 164.7 | -67.7 | -173.8 | -177.1 | -175.9 | 2.2 | 106.8 | T278 A282 | T278-R280 PolarHBondContact O-N 3.27Å; R280-A282 PolarHBondContact O-N 3.27Å |
| 281 | P | 34.6 | Very low | 56.5 | Low | 89 Ų | 89 | 88.3 Ų | 88.3 | 58% | 0.578 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -48.1 | 136.8 | 159.1 | -23.5 | 34.1 | 0 | 0 | 0 | 108.5 | ||
| 282 | A | 34.3 | Very low | 53.6 | Low | 74 Ų | 74 | 91.6 Ų | 91.6 | 61% | 0.612 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -58 | 150.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | R280 E284 | R280-A282 PolarHBondContact O-N 3.27Å; A282-E284 PolarHBondContact O-N 3.46Å |
| 283 | F | 36.1 | Very low | 50.8 | Low | 164 Ų | 164 | 98.2 Ų | 98.2 | 72% | 0.719 | 53% | 0.53 | S | S | * | . | trans | -77.3 | 66.8 | 179.8 | -172.3 | -101.2 | 0 | 0 | 0 | 110.2 | G285 | F283-G285 PolarHBondContact O-N 2.93Š| ||
| 284 | E | 32.4 | Very low | 47.7 | Very low | 177 Ų | 177 | 102.9 Ų | 102.9 | 83% | 0.827 | 56% | 0.564 | S | S | * | * | trans | -63.9 | 118.6 | 163.2 | -68.4 | -179.3 | 159.2 | 0 | 0 | 107.3 | A282 H286 | A282-E284 PolarHBondContact O-N 3.46Å; E284-H286 PolarHBondContact O-N 3.32Å | ||
| 285 | G | 34.2 | Very low | 45 | Very low | 58 Ų | 58 | 109 Ų | 109 | 60% | 0.598 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 125.6 | -159.4 | 0 | 0 | 0 | 0 | 0 | 114 | F283 M287 | F283-G285 PolarHBondContact O-N 2.93Å; G285-M287 VanDerWaalsContact C-N 3.31Å; G285-M287 PolarHBondContact O-N 3.1Å |
| 286 | H | 33.5 | Very low | 42.3 | Very low | 175 Ų | 175 | 114 Ų | 114 | 81% | 0.81 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.5 | 35.2 | 155.8 | -94.7 | -63.6 | 0 | 0 | 0 | 118.7 | E284 | E284-H286 PolarHBondContact O-N 3.32Š|
| 287 | M | 30.8 | Very low | 40.3 | Very low | 180 Ų | 180 | 118.1 Ų | 118.1 | 89% | 0.887 | 65% | 0.654 | S | S | * | * | trans | -82.5 | 111.7 | 148.5 | -86.3 | -124.1 | 163.1 | 0 | 0 | 109.5 | G285 C289 | G285-M287 VanDerWaalsContact C-N 3.31Å; G285-M287 PolarHBondContact O-N 3.1Å; M287-C289 PolarHBondContact O-N 3.06Å | ||
| 288 | E | 31.8 | Very low | 38.8 | Very low | 183 Ų | 183 | 118.1 Ų | 118.1 | 86% | 0.855 | 65% | 0.653 | S | S | * | * | trans | -64.4 | 99.9 | 165.4 | -69.8 | -170.2 | 128.8 | 0 | 0 | 108.7 | ||||
| 289 | C | 29.2 | Very low | 38.7 | Very low | 59 Ų | 59 | 121.3 Ų | 121.3 | 40% | 0.399 | 68% | 0.677 | S | S | . | * | trans | -57.7 | 128.7 | 177.9 | -162.1 | 0 | 0 | 0 | 0 | 109.5 | M287 M293 | M287-C289 PolarHBondContact O-N 3.06Å; C289-M293 VanDerWaalsContact SG-CB 3.59Å | ||
| 290 | P | 30.3 | Very low | 39.8 | Very low | 90 Ų | 90 | 115.8 Ų | 115.8 | 58% | 0.584 | 66% | 0.659 | S | S | * | * | trans | -54.9 | 137 | -173.8 | -28.9 | 35.4 | 0 | 0 | 0 | 112.5 | G292 M293 | P290-G292 PolarHBondContact O-N 3.49Å; P290-M293 PolarHBondContact O-N 3.37Å | ||
| 291 | P | 33.7 | Very low | 41.5 | Very low | 146 Ų | 146 | 110 Ų | 110 | 95% | 0.948 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 94.4 | -174.1 | 25.3 | -34.5 | 0 | 0 | 0 | 111.3 | ||
| 292 | G | 37.6 | Very low | 44 | Very low | 69 Ų | 69 | 110.9 Ų | 110.9 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 156.3 | -32.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P290 S294 | P290-G292 PolarHBondContact O-N 3.49Å; G292-S294 PolarHBondContact O-N 2.86Å |
| 293 | M | 37.3 | Very low | 46.7 | Very low | 139 Ų | 139 | 108.4 Ų | 108.4 | 69% | 0.685 | 62% | 0.616 | S | S | * | * | trans | -88.6 | 78.4 | 174 | -92.5 | 63.5 | 179.8 | 0 | 0 | 111.2 | C289 P290 H295 | C289-M293 VanDerWaalsContact SG-CB 3.59Å; P290-M293 PolarHBondContact O-N 3.37Å; M293-H295 PolarHBondContact O-N 2.98Å; M293-H295 VanDerWaalsContact O-N 3.14Å | ||
| 294 | S | 29.5 | Very low | 49.4 | Very low | 108 Ų | 108 | 100.6 Ų | 100.6 | 76% | 0.755 | 58% | 0.582 | S | S | * | * | trans | -69.2 | 104 | 157.9 | 56.2 | 0 | 0 | 0 | 0 | 108.6 | G292 | G292-S294 PolarHBondContact O-N 2.86Š| ||
| 295 | H | 38.9 | Very low | 52.2 | Low | 128 Ų | 128 | 92.5 Ų | 92.5 | 59% | 0.593 | 54% | 0.544 | S | S | * | . | trans | -51 | 131.6 | 161.9 | -73.9 | -97.4 | 0 | 0 | 0 | 108.2 | M293 S297 | M293-H295 PolarHBondContact O-N 2.98Å; M293-H295 VanDerWaalsContact O-N 3.14Å; H295-S297 VanDerWaalsContact C-N 3.25Å; H295-S297 PolarHBondContact O-N 3.2Å | ||
| 296 | P | 36.6 | Very low | 55 | Low | 106 Ų | 106 | 94.2 Ų | 94.2 | 69% | 0.688 | 54% | 0.537 | S | S | * | . | trans | -70.4 | 88.3 | 174 | 29.2 | -33.3 | 0 | 0 | 0 | 108.6 | F298 | P296-F298 PolarHBondContact O-N 3.38Å; P296-F298 VanDerWaalsContact O-N 3.07Å | ||
| 297 | S | 48.6 | Very low | 57.9 | Low | 92 Ų | 92 | 86 Ų | 86 | 64% | 0.643 | 50% | 0.499 | S | S | * | . | trans | -56.7 | 112.6 | 159.8 | 33.3 | 0 | 0 | 0 | 0 | 107 | H295 S299 | H295-S297 VanDerWaalsContact C-N 3.25Å; H295-S297 PolarHBondContact O-N 3.2Å; S297-S299 PolarHBondContact O-N 2.96Å | ||
| 298 | F | 54.7 | Low | 61 | Low | 73 Ų | 73 | 77.4 Ų | 77.4 | 32% | 0.32 | 46% | 0.457 | S | S | . | . | trans | -56.2 | 103.1 | -176.7 | -85.8 | -98.8 | 0 | 0 | 0 | 109.7 | M226 F227 T278 P296 V300 | M226-F298 HydrophobicContact CE-CE1 4.33Å; M226-F298 HydrophobicContact CE-CZ 4.49Å; F227-F298 HydrophobicContact CD2-CE2 4.48Å; F227-F298 HydrophobicContact CE1-CD2 4.36Å; F227-F298 AromaticContact CE1-CE2 3.85Å; F227-F298 HydrophobicContact CE1-CE2 3.85Å; F227-F298 HydrophobicContact CE2-CD2 4.16Å; F227-F298 AromaticContact CE2-CE2 3.78Å; F227-F298 HydrophobicContact CE2-CE2 3.78Å; F227-F298 AromaticContact CZ-CD2 3.66Å; F227-F298 HydrophobicContact CZ-CD2 3.66Å; F227-F298 AromaticContact CZ-CE2 3.43Å; F227-F298 HydrophobicContact CZ-CE2 3.43Å; F227-F298 VanDerWaalsContact CZ-CE2 3.43Å; T278-F298 VanDerWaalsContact CG2-O 3.22Å; T278-F298 WeakPolarHBondContact CG2-O 3.48Å; P296-F298 PolarHBondContact O-N 3.38Å; P296-F298 VanDerWaalsContact O-N 3.07Å; F298-V300 PolarHBondContact O-N 3.43Å | ||
| 299 | S | 66.1 | Low | 64 | Low | 110 Ų | 110 | 74 Ų | 74 | 77% | 0.769 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 128.2 | 170.5 | 53 | 0 | 0 | 0 | 0 | 108.1 | S297 N301 | S297-S299 PolarHBondContact O-N 2.96Å; S299-N301 PolarHBondContact O-N 3.03Å |
| 300 | V | 79.6 | Confident | 67.1 | Low | 22 Ų | 22 | 74.6 Ų | 74.6 | 13% | 0.133 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 130.1 | 174.4 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | F276 T278 F298 H302 I304 L305 | F276-V300 HydrophobicContact CD1-CB 4.44Å; F276-V300 HydrophobicContact CD1-CG1 3.55Å; F276-V300 HydrophobicContact CD1-CG2 4.04Å; F276-V300 HydrophobicContact CE1-CG1 3.69Å; T278-V300 HydrophobicContact CG2-CG2 3.52Å; F298-V300 PolarHBondContact O-N 3.43Å; V300-H302 PolarHBondContact O-N 2.9Å; V300-I304 HydrophobicContact CG1-CB 4.41Å; V300-I304 HydrophobicContact CG1-CD1 4.26Å; V300-L305 HydrophobicContact CG1-CD1 4.26Å; V300-L305 HydrophobicContact CG1-CD2 4.33Å; V300-L305 HydrophobicContact CG1-CG 4.06Å |
| 301 | N | 82.3 | Confident | 70.3 | Confident | 69 Ų | 69 | 72.4 Ų | 72.4 | 37% | 0.369 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 132 | -177.1 | -160.4 | -20 | 0 | 0 | 0 | 110.8 | E243 S299 S303 I304 | E243-N301 HydrophobicContact CB-CB 4.31Å; E243-N301 VanDerWaalsContact OE2-CB 3.32Å; E243-N301 WeakPolarHBondContact OE2-CB 3.12Å; E243-N301 PolarHBondContact OE2-ND2 3.46Å; S299-N301 PolarHBondContact O-N 3.03Å; N301-S303 VanDerWaalsContact C-N 3.26Å; N301-S303 PolarHBondContact O-N 3.21Å; N301-S303 PolarHBondContact OD1-OG 3.46Å; N301-I304 HydrophobicContact CB-CD1 3.77Å; N301-I304 HydrophobicContact CB-CG1 4.18Å; N301-I304 WeakPolarHBondContact O-CB 3.38Å; N301-I304 PolarHBondContact O-N 3.46Å |
| 302 | H | 86.4 | Confident | 73.3 | Confident | 106 Ų | 106 | 65.8 Ų | 65.8 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63 | -35 | -167 | -163.8 | 69.2 | 0 | 0 | 0 | 112.5 | V300 I304 L305 E306 | V300-H302 PolarHBondContact O-N 2.9Å; H302-I304 PolarHBondContact O-N 3.02Å; H302-L305 WeakPolarHBondContact O-CB 3.38Å; H302-L305 PolarHBondContact O-N 3.14Å; H302-E306 VanDerWaalsContact CD2-CD 3.45Å; H302-E306 IonicContact CD2-OE1 2.66Å; H302-E306 IonicContact CD2-OE2 3.66Å; H302-E306 PolarHBondContact CD2-OE2 3.47Å; H302-E306 PolarHBondContact O-N 3.08Å |
| 303 | S | 90.5 | Very high | 76.1 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 15% | 0.154 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -51.7 | -35.1 | 174 | 48.1 | 0 | 0 | 0 | 0 | 114.1 | E243 N301 A307 | E243-S303 WeakPolarHBondContact O-CB 3.38Å; E243-S303 PolarHBondContact O-OG 2.88Å; N301-S303 VanDerWaalsContact C-N 3.26Å; N301-S303 PolarHBondContact O-N 3.21Å; N301-S303 PolarHBondContact OD1-OG 3.46Å; S303-A307 WeakPolarHBondContact O-CB 3.31Å; S303-A307 PolarHBondContact O-N 3.2Å |
| 304 | I | 93.2 | Very high | 78.9 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.3 | -40.5 | 179.6 | -52.6 | 166.5 | 0 | 0 | 0 | 109.7 | E243 V248 L275 F276 V300 N301 H302 A307 V308 | E243-I304 HydrophobicContact CB-CD1 4.17Å; E243-I304 HydrophobicContact CB-CG1 4.39Å; E243-I304 HydrophobicContact CG-CD1 3.99Å; V248-I304 HydrophobicContact CG1-CG2 4.43Å; V248-I304 HydrophobicContact CG2-CG1 4.38Å; V248-I304 HydrophobicContact CG2-CG2 4.39Å; L275-I304 HydrophobicContact CB-CD1 4.31Å; L275-I304 HydrophobicContact CB-CG2 4.44Å; L275-I304 HydrophobicContact CD1-CG2 4.37Å; L275-I304 HydrophobicContact CD2-CD1 4.28Å; F276-I304 HydrophobicContact CE1-CG2 3.78Å; F276-I304 HydrophobicContact CZ-CG2 3.94Å; V300-I304 HydrophobicContact CG1-CB 4.41Å; V300-I304 HydrophobicContact CG1-CD1 4.26Å; N301-I304 HydrophobicContact CB-CD1 3.77Å; N301-I304 HydrophobicContact CB-CG1 4.18Å; N301-I304 WeakPolarHBondContact O-CB 3.38Å; N301-I304 PolarHBondContact O-N 3.46Å; H302-I304 PolarHBondContact O-N 3.02Å; I304-A307 PolarHBondContact O-N 3.09Å; I304-V308 WeakPolarHBondContact O-CB 3.39Å; I304-V308 VanDerWaalsContact O-CG2 3.31Å; I304-V308 WeakPolarHBondContact O-CG2 3.22Å; I304-V308 PolarHBondContact O-N 3.11Å |
| 305 | L | 91.8 | Very high | 82.1 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.1 | -37.6 | 177.7 | -62 | 166.6 | 0 | 0 | 0 | 111.1 | F276 V300 H302 V308 R309 L353 C356 T358 I361 | F276-L305 HydrophobicContact CE1-CD2 3.69Å; F276-L305 HydrophobicContact CE1-CG 4.45Å; F276-L305 HydrophobicContact CZ-CD2 4.29Å; V300-L305 HydrophobicContact CG1-CD1 4.26Å; V300-L305 HydrophobicContact CG1-CD2 4.33Å; V300-L305 HydrophobicContact CG1-CG 4.06Å; H302-L305 WeakPolarHBondContact O-CB 3.38Å; H302-L305 PolarHBondContact O-N 3.14Å; L305-V308 PolarHBondContact O-N 3.18Å; L305-R309 VanDerWaalsContact O-CB 3.32Å; L305-R309 WeakPolarHBondContact O-CB 3.48Å; L305-R309 PolarHBondContact O-N 3.46Å; L305-L353 HydrophobicContact CD2-CD2 4.36Å; L305-C356 HydrophobicContact CD2-CB 4.12Å; L305-T358 HydrophobicContact CD1-CG2 4.38Å; L305-I361 HydrophobicContact CD2-CD1 4.5Å; L305-I361 HydrophobicContact CD2-CG1 4.21Å |
| 306 | E | 92.3 | Very high | 84.9 | Confident | 95 Ų | 95 | 53.3 Ų | 53.3 | 44% | 0.444 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 172.9 | -70.9 | -176.6 | 114.5 | 0 | 0 | 112.2 | H302 P310 | H302-E306 VanDerWaalsContact CD2-CD 3.45Å; H302-E306 IonicContact CD2-OE1 2.66Å; H302-E306 IonicContact CD2-OE2 3.66Å; H302-E306 PolarHBondContact CD2-OE2 3.47Å; H302-E306 PolarHBondContact O-N 3.08Å; E306-P310 WeakPolarHBondContact O-CD 3.42Å |
| 307 | A | 94.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q245 V248 E249 L252 S303 I304 P310 | Q245-A307 HydrophobicContact CG-CB 3.93Å; V248-A307 HydrophobicContact CB-CB 3.66Å; V248-A307 HydrophobicContact CG1-CB 3.52Å; E249-A307 HydrophobicContact CG-CB 3.81Å; L252-A307 HydrophobicContact CD1-CB 4.44Å; L252-A307 VanDerWaalsContact CD1-O 3.31Å; L252-A307 WeakPolarHBondContact CD1-O 3.42Å; S303-A307 WeakPolarHBondContact O-CB 3.31Å; S303-A307 PolarHBondContact O-N 3.2Å; I304-A307 PolarHBondContact O-N 3.09Å; A307-P310 WeakPolarHBondContact O-CD 3.37Å |
| 308 | V | 96.1 | Very high | 90 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -77 | -36.3 | -176.5 | 170.1 | 0 | 0 | 0 | 0 | 112.4 | V248 L252 L272 F276 I304 L305 R311 L312 L353 | V248-V308 HydrophobicContact CG1-CG2 4.14Å; L252-V308 HydrophobicContact CD1-CG2 4.1Å; L272-V308 HydrophobicContact CD2-CG2 3.82Å; F276-V308 HydrophobicContact CZ-CG2 4.15Å; I304-V308 WeakPolarHBondContact O-CB 3.39Å; I304-V308 VanDerWaalsContact O-CG2 3.31Å; I304-V308 WeakPolarHBondContact O-CG2 3.22Å; I304-V308 PolarHBondContact O-N 3.11Å; L305-V308 PolarHBondContact O-N 3.18Å; V308-R311 PolarHBondContact O-N 2.74Å; V308-L312 HydrophobicContact CG1-CD2 3.92Å; V308-L312 PolarHBondContact O-N 2.95Å; V308-L353 HydrophobicContact CG1-CD1 4.32Å; V308-L353 HydrophobicContact CG1-CD2 4.11Å |
| 309 | R | 94.8 | Very high | 92 | Very high | 111 Ų | 111 | 43.9 Ų | 43.9 | 42% | 0.419 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -50.5 | -48.1 | -174.5 | -179 | -177.5 | 175.1 | -155.2 | -2.2 | 114.2 | L305 R311 L312 S360 I361 | L305-R309 VanDerWaalsContact O-CB 3.32Å; L305-R309 WeakPolarHBondContact O-CB 3.48Å; L305-R309 PolarHBondContact O-N 3.46Å; R309-R311 PolarHBondContact O-N 2.85Å; R309-L312 HydrophobicContact CG-CD1 4.49Å; R309-L312 WeakPolarHBondContact O-CG 3.36Å; R309-L312 PolarHBondContact O-N 2.87Å; R309-S360 PolarHBondContact NE-O 2.93Å; R309-I361 HydrophobicContact CB-CD1 3.76Å; R309-I361 HydrophobicContact CG-CD1 4.28Å |
| 310 | P | 95 | Very high | 93.4 | Very high | 73 Ų | 73 | 42.4 Ų | 42.4 | 47% | 0.474 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -66.8 | -16.6 | -178.9 | -21.3 | 34.3 | 0 | 0 | 0 | 114.8 | E306 A307 K313 | E306-P310 WeakPolarHBondContact O-CD 3.42Å; A307-P310 WeakPolarHBondContact O-CD 3.37Å; P310-K313 VanDerWaalsContact O-CE 3.28Å; P310-K313 WeakPolarHBondContact O-CE 3.43Å; P310-K313 PolarHBondContact O-NZ 3.44Å |
| 311 | R | 96.1 | Very high | 93.9 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 17% | 0.166 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -103.5 | -0 | -176.8 | -45.9 | -60.4 | -93.1 | -111.2 | 11.2 | 113.3 | L252 F256 E257 V308 R309 K313 D314 F315 | L252-R311 HydrophobicContact CB-CG 4.17Å; L252-R311 HydrophobicContact CD1-CG 4.02Å; L252-R311 HydrophobicContact CD2-CB 4.34Å; L252-R311 HydrophobicContact CD2-CG 4.45Å; L252-R311 HydrophobicContact CG-CG 4.46Å; F256-R311 HydrophobicContact CD2-CB 4.32Å; F256-R311 HydrophobicContact CE2-CB 3.98Å; E257-R311 IonicContact OE1-CZ 2.77Å; E257-R311 IonicContact OE1-NH1 3.17Å; E257-R311 IonicContact OE1-NH2 2.91Å; E257-R311 PolarHBondContact OE1-NH2 3.16Å; V308-R311 PolarHBondContact O-N 2.74Å; R309-R311 PolarHBondContact O-N 2.85Å; R311-K313 PolarHBondContact O-N 2.81Å; R311-D314 WeakPolarHBondContact CA-OD2 3.45Å; R311-D314 IonicContact NE-OD2 3.69Å; R311-D314 WeakPolarHBondContact O-CA 3.41Å; R311-D314 WeakPolarHBondContact O-CB 3.49Å; R311-D314 PolarHBondContact O-N 3.46Å; R311-F315 WeakPolarHBondContact O-CD2 3.38Å; R311-F315 PolarHBondContact O-N 3.34Å; R311-F315 VanDerWaalsContact O-N 3.08Å |
| 312 | L | 97 | Very high | 94.3 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.9 | -35.1 | 175.9 | -68.1 | 175 | 0 | 0 | 0 | 113 | V308 R309 D314 F315 H316 L353 I361 E364 L368 | V308-L312 HydrophobicContact CG1-CD2 3.92Å; V308-L312 PolarHBondContact O-N 2.95Å; R309-L312 HydrophobicContact CG-CD1 4.49Å; R309-L312 WeakPolarHBondContact O-CG 3.36Å; R309-L312 PolarHBondContact O-N 2.87Å; L312-D314 VanDerWaalsContact C-N 3.27Å; L312-D314 PolarHBondContact O-N 3.04Å; L312-F315 PolarHBondContact O-N 3.24Å; L312-H316 WeakPolarHBondContact O-CB 3.23Å; L312-H316 PolarHBondContact O-N 3.22Å; L312-L353 HydrophobicContact CD2-CD1 3.6Å; L312-I361 HydrophobicContact CD1-CD1 3.99Å; L312-I361 HydrophobicContact CD1-CG2 4.18Å; L312-E364 HydrophobicContact CB-CG 4.19Å; L312-E364 HydrophobicContact CD1-CB 3.8Å; L312-E364 HydrophobicContact CD1-CG 4Å; L312-L368 HydrophobicContact CB-CD1 4.15Å |
| 313 | K | 96.6 | Very high | 94.4 | Very high | 111 Ų | 111 | 40.3 Ų | 40.3 | 48% | 0.483 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.3 | -34.2 | 172 | 74.3 | -165.1 | -179.7 | -166.5 | 0 | 112.7 | P310 R311 H316 Q317 L368 | P310-K313 VanDerWaalsContact O-CE 3.28Å; P310-K313 WeakPolarHBondContact O-CE 3.43Å; P310-K313 PolarHBondContact O-NZ 3.44Å; R311-K313 PolarHBondContact O-N 2.81Å; K313-H316 WeakPolarHBondContact O-CB 3.42Å; K313-H316 PolarHBondContact O-N 2.8Å; K313-Q317 PolarHBondContact O-N 3.19Å; K313-L368 HydrophobicContact CB-CD1 4.32Å; K313-L368 HydrophobicContact CB-CD2 4.07Å |
| 314 | D | 96.2 | Very high | 94 | Very high | 45 Ų | 45 | 49.6 Ų | 49.6 | 24% | 0.241 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -82.7 | -36.6 | -175.1 | -51.3 | -55.2 | 0 | 0 | 0 | 109.6 | F256 R311 L312 Q317 L318 | F256-D314 HydrophobicContact CD1-CB 3.62Å; F256-D314 HydrophobicContact CD2-CB 4.21Å; F256-D314 HydrophobicContact CE1-CB 3.47Å; F256-D314 VanDerWaalsContact CE1-CB 3.47Å; F256-D314 HydrophobicContact CE2-CB 4.09Å; F256-D314 HydrophobicContact CG-CB 4Å; F256-D314 HydrophobicContact CZ-CB 3.73Å; R311-D314 WeakPolarHBondContact CA-OD2 3.45Å; R311-D314 IonicContact NE-OD2 3.69Å; R311-D314 WeakPolarHBondContact O-CA 3.41Å; R311-D314 WeakPolarHBondContact O-CB 3.49Å; R311-D314 PolarHBondContact O-N 3.46Å; L312-D314 VanDerWaalsContact C-N 3.27Å; L312-D314 PolarHBondContact O-N 3.04Å; D314-Q317 PolarHBondContact O-N 3.23Å; D314-L318 PolarHBondContact O-N 3.06Å |
| 315 | F | 97.6 | Very high | 93.3 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | 164.5 | -72.9 | -63.1 | 0 | 0 | 0 | 112.3 | L252 I255 F256 I269 L272 R311 L312 Q317 L318 L319 V346 L349 | L252-F315 HydrophobicContact CD2-CE2 3.62Å; L252-F315 HydrophobicContact CD2-CZ 3.58Å; I255-F315 HydrophobicContact CD1-CE1 4.16Å; I255-F315 HydrophobicContact CD1-CZ 4.31Å; F256-F315 HydrophobicContact CE2-CD2 4.31Å; F256-F315 HydrophobicContact CE2-CE1 4.17Å; F256-F315 AromaticContact CE2-CE2 3.97Å; F256-F315 HydrophobicContact CE2-CE2 3.97Å; F256-F315 AromaticContact CE2-CZ 3.89Å; F256-F315 HydrophobicContact CE2-CZ 3.89Å; F256-F315 AromaticContact CZ-CD1 3.7Å; F256-F315 HydrophobicContact CZ-CD1 3.7Å; F256-F315 HydrophobicContact CZ-CD2 4.05Å; F256-F315 AromaticContact CZ-CE1 3.69Å; F256-F315 HydrophobicContact CZ-CE1 3.69Å; F256-F315 HydrophobicContact CZ-CE2 4.05Å; F256-F315 AromaticContact CZ-CG 3.88Å; F256-F315 HydrophobicContact CZ-CG 3.88Å; F256-F315 AromaticContact CZ-CZ 3.87Å; F256-F315 HydrophobicContact CZ-CZ 3.87Å; I269-F315 HydrophobicContact CD1-CE1 4.17Å; I269-F315 HydrophobicContact CG1-CE1 3.83Å; L272-F315 HydrophobicContact CD1-CE2 4.45Å; L272-F315 HydrophobicContact CD1-CZ 3.81Å; R311-F315 WeakPolarHBondContact O-CD2 3.38Å; R311-F315 PolarHBondContact O-N 3.34Å; R311-F315 VanDerWaalsContact O-N 3.08Å; L312-F315 PolarHBondContact O-N 3.24Å; F315-Q317 VanDerWaalsContact C-N 3.31Å; F315-Q317 PolarHBondContact O-N 3.23Å; F315-L318 HydrophobicContact CD1-CD1 4.29Å; F315-L318 WeakPolarHBondContact O-CB 3.44Å; F315-L318 PolarHBondContact O-N 3.44Å; F315-L318 VanDerWaalsContact O-N 3.08Å; F315-L319 PolarHBondContact O-N 2.94Å; F315-V346 HydrophobicContact CB-CG1 4.1Å; F315-V346 HydrophobicContact CD1-CG2 4.01Å; F315-L349 HydrophobicContact CD1-CD2 3.88Å; F315-L349 HydrophobicContact CD2-CD2 4.15Å; F315-L349 HydrophobicContact CE1-CD2 3.62Å; F315-L349 HydrophobicContact CE2-CD2 3.89Å; F315-L349 HydrophobicContact CG-CD2 4.14Å; F315-L349 HydrophobicContact CZ-CD2 3.62Å |
| 316 | H | 97.5 | Very high | 93 | Very high | 20 Ų | 20 | 60.4 Ų | 60.4 | 9% | 0.093 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.3 | -43 | 172.2 | -177.6 | 105.7 | 0 | 0 | 0 | 111.2 | L312 K313 L318 L319 L320 L368 T370 | L312-H316 WeakPolarHBondContact O-CB 3.23Å; L312-H316 PolarHBondContact O-N 3.22Å; K313-H316 WeakPolarHBondContact O-CB 3.42Å; K313-H316 PolarHBondContact O-N 2.8Å; H316-L318 PolarHBondContact O-N 3.25Å; H316-L319 WeakPolarHBondContact O-CB 3.42Å; H316-L319 PolarHBondContact O-N 3.49Å; H316-L320 PolarHBondContact O-N 3.05Å; H316-L368 HydrophobicContact CB-CD1 4.24Å; H316-L368 PolarHBondContact CE1-O 2.63Å; H316-L368 PolarHBondContact ND1-O 2.92Å; H316-T370 PolarHBondContact ND1-OG1 3.09Å |
| 317 | Q | 96.1 | Very high | 92.9 | Very high | 71 Ų | 71 | 59.4 Ų | 59.4 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.1 | -24.4 | 175.4 | -165.7 | 63.7 | 14.2 | 0 | 0 | 113 | K313 D314 F315 E321 | K313-Q317 PolarHBondContact O-N 3.19Å; D314-Q317 PolarHBondContact O-N 3.23Å; F315-Q317 VanDerWaalsContact C-N 3.31Å; F315-Q317 PolarHBondContact O-N 3.23Å; Q317-E321 PolarHBondContact NE2-OE2 2.91Å; Q317-E321 CarbonylContact O-C 3.58Å; Q317-E321 WeakPolarHBondContact O-CA 3.34Å; Q317-E321 PolarHBondContact O-N 2.66Å |
| 318 | L | 95.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74 | -25.3 | 170.3 | -69 | 173.9 | 0 | 0 | 0 | 113.4 | F256 K260 I265 D314 F315 H316 T342 V346 | F256-L318 HydrophobicContact CE1-CD1 3.7Å; F256-L318 HydrophobicContact CE1-CG 4.21Å; F256-L318 HydrophobicContact CZ-CD1 4.22Å; K260-L318 HydrophobicContact CD-CD2 4.15Å; I265-L318 HydrophobicContact CD1-CD1 4.48Å; I265-L318 HydrophobicContact CD1-CD2 4.12Å; I265-L318 HydrophobicContact CG2-CD1 3.91Å; D314-L318 PolarHBondContact O-N 3.06Å; F315-L318 HydrophobicContact CD1-CD1 4.29Å; F315-L318 WeakPolarHBondContact O-CB 3.44Å; F315-L318 PolarHBondContact O-N 3.44Å; F315-L318 VanDerWaalsContact O-N 3.08Å; H316-L318 PolarHBondContact O-N 3.25Å; L318-T342 HydrophobicContact CB-CG2 4.16Å; L318-T342 HydrophobicContact CD1-CG2 4.28Å; L318-T342 HydrophobicContact CD2-CG2 4.17Å; L318-T342 HydrophobicContact CG-CG2 4.45Å; L318-V346 HydrophobicContact CB-CG2 4.23Å; L318-V346 HydrophobicContact CD1-CG2 4.32Å |
| 319 | L | 96.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.7 | -41.5 | 169.4 | -63.9 | 176.3 | 0 | 0 | 0 | 110.9 | F315 H316 R343 V346 V347 T370 V373 I374 M377 | F315-L319 PolarHBondContact O-N 2.94Å; H316-L319 WeakPolarHBondContact O-CB 3.42Å; H316-L319 PolarHBondContact O-N 3.49Å; L319-R343 HydrophobicContact CD2-CB 4.26Å; L319-R343 VanDerWaalsContact O-CZ 3.22Å; L319-R343 PolarHBondContact O-NE 3.08Å; L319-R343 PolarHBondContact O-NH2 3.17Å; L319-V346 HydrophobicContact CD1-CG1 4.13Å; L319-V346 HydrophobicContact CD2-CB 3.88Å; L319-V346 HydrophobicContact CD2-CG1 3.74Å; L319-V346 HydrophobicContact CG-CB 4.37Å; L319-V346 HydrophobicContact CG-CG1 3.73Å; L319-V347 HydrophobicContact CD2-CG2 3.92Å; L319-T370 HydrophobicContact CD1-CG2 3.94Å; L319-V373 HydrophobicContact CB-CG1 4Å; L319-I374 HydrophobicContact CD1-CD1 4.31Å; L319-I374 HydrophobicContact CD1-CG1 3.95Å; L319-M377 HydrophobicContact CB-SD 4.49Å; L319-M377 HydrophobicContact CD2-SD 4.19Å |
| 320 | L | 94.9 | Very high | 92 | Very high | 80 Ų | 80 | 69.4 Ų | 69.4 | 42% | 0.419 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.8 | -54.6 | 175.8 | -60.2 | -178.9 | 0 | 0 | 0 | 111.5 | H316 P322 R343 V373 | H316-L320 PolarHBondContact O-N 3.05Å; L320-P322 WeakPolarHBondContact O-CD 2.98Å; L320-R343 PolarHBondContact O-NH2 3.13Å; L320-V373 HydrophobicContact CD2-CG1 3.9Å; L320-V373 HydrophobicContact CD2-CG2 4.09Å |
| 321 | E | 91.1 | Very high | 91.6 | Very high | 114 Ų | 114 | 72.9 Ų | 72.9 | 53% | 0.533 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -125.9 | 79.8 | -171.9 | -64.8 | -178.4 | 164.2 | 0 | 0 | 111.9 | K260 Q317 | K260-E321 PolarHBondContact NZ-O 3.41Å; Q317-E321 PolarHBondContact NE2-OE2 2.91Å; Q317-E321 CarbonylContact O-C 3.58Å; Q317-E321 WeakPolarHBondContact O-CA 3.34Å; Q317-E321 PolarHBondContact O-N 2.66Å |
| 322 | P | 89.6 | Confident | 90.9 | Very high | 25 Ų | 25 | 76.8 Ų | 76.8 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 169.6 | 174.1 | 31 | -37.9 | 0 | 0 | 0 | 112.1 | L320 R343 | L320-P322 WeakPolarHBondContact O-CD 2.98Å; P322-R343 HydrophobicContact CB-CG 4.09Å; P322-R343 HydrophobicContact CG-CG 4.34Å |
| 323 | P | 89 | Confident | 90.4 | Very high | 13 Ų | 13 | 78.1 Ų | 78.1 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -47.6 | 143.6 | 162.4 | -23.9 | 31.8 | 0 | 0 | 0 | 111.5 | K260 E262 I265 K325 T342 | K260-P323 HydrophobicContact CB-CG 4.23Å; E262-P323 HydrophobicContact CB-CB 4.42Å; E262-P323 HydrophobicContact CB-CG 4.23Å; I265-P323 HydrophobicContact CD1-CG 3.83Å; P323-K325 PolarHBondContact O-N 3.47Å; P323-K325 VanDerWaalsContact O-N 3.15Å; P323-T342 WeakPolarHBondContact CD-OG1 3.49Å; P323-T342 HydrophobicContact CG-CG2 4.3Å |
| 324 | K | 81.8 | Confident | 90 | Very high | 217 Ų | 217 | 77.5 Ų | 77.5 | 94% | 0.943 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 117.9 | -178.4 | -70.7 | -178.4 | -179.9 | 175.4 | 0 | 110.2 | ||
| 325 | K | 80.3 | Confident | 89.7 | Confident | 79 Ų | 79 | 78.1 Ų | 78.1 | 34% | 0.343 | 40% | 0.402 | S | S | . | . | trans | -106.3 | 150.4 | 171.7 | -79.5 | -173.8 | 170.2 | -71.2 | 0 | 111.3 | E262 P323 P338 | E262-K325 WeakPolarHBondContact OE1-CE 3.45Å; E262-K325 IonicContact OE1-NZ 2.72Å; E262-K325 PolarHBondContact OE1-NZ 3.26Å; E262-K325 WeakPolarHBondContact OE2-CE 3.46Å; E262-K325 IonicContact OE2-NZ 3.2Å; E262-K325 PolarHBondContact OE2-NZ 3.46Å; P323-K325 PolarHBondContact O-N 3.47Å; P323-K325 VanDerWaalsContact O-N 3.15Å; K325-P338 HydrophobicContact CB-CG 3.78Å; K325-P338 HydrophobicContact CD-CG 3.94Å | ||
| 326 | N | 84.8 | Confident | 89.2 | Confident | 155 Ų | 155 | 82.9 Ų | 82.9 | 83% | 0.829 | 43% | 0.427 | S | S | * | . | trans | -62.8 | 143.5 | 169.3 | -68.4 | -30.1 | 0 | 0 | 0 | 110.6 | L328 | N326-L328 PolarHBondContact O-N 2.94Š| ||
| 327 | V | 89.2 | Confident | 88.9 | Confident | 75 Ų | 75 | 84 Ų | 84 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | trans | -62.8 | 120 | 178.7 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | V334 D336 | V327-V334 HydrophobicContact CG1-CG1 3.22Å; V327-D336 HydrophobicContact CG1-CB 4.22Å; V327-D336 HydrophobicContact CG2-CB 4.27Å | ||
| 328 | L | 89 | Confident | 88.7 | Confident | 88 Ų | 88 | 81.2 Ų | 81.2 | 46% | 0.461 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 113.5 | -174.5 | -177.4 | 61.9 | 0 | 0 | 0 | 110.6 | N326 T330 L335 P338 | N326-L328 PolarHBondContact O-N 2.94Å; L328-T330 HydrophobicContact CD2-CG2 4.25Å; L328-T330 HydrophobicContact CG-CG2 4.02Å; L328-L335 HydrophobicContact CB-CB 4.38Å; L328-L335 HydrophobicContact CD2-CD1 4.5Å; L328-L335 PolarHBondContact N-O 2.82Å; L328-L335 VanDerWaalsContact N-O 3.16Å; L328-L335 PolarHBondContact O-N 3.29Å; L328-P338 HydrophobicContact CB-CB 4.18Å; L328-P338 HydrophobicContact CB-CG 4.46Å; L328-P338 HydrophobicContact CD2-CB 4.46Å |
| 329 | K | 90.5 | Very high | 88.5 | Confident | 178 Ų | 178 | 81.4 Ų | 81.4 | 77% | 0.774 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 131.1 | 168.1 | -63.6 | -179 | -177.4 | 175.6 | 0 | 109.1 | ||
| 330 | T | 88.3 | Confident | 88.3 | Confident | 56 Ų | 56 | 82.2 Ų | 82.2 | 34% | 0.344 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 164.9 | 177.1 | 72.9 | 0 | 0 | 0 | 0 | 110 | L328 W332 G333 L335 | L328-T330 HydrophobicContact CD2-CG2 4.25Å; L328-T330 HydrophobicContact CG-CG2 4.02Å; T330-W332 PolarHBondContact O-N 3.47Å; T330-W332 PolarHBondContact OG1-N 2.8Å; T330-G333 PolarHBondContact N-O 3.26Å; T330-G333 PolarHBondContact O-N 3.21Å; T330-G333 VanDerWaalsContact O-N 3.08Å; T330-G333 PolarHBondContact OG1-N 3.12Å; T330-G333 PolarHBondContact OG1-O 3Å; T330-L335 HydrophobicContact CG2-CD1 4.02Å; T330-L335 HydrophobicContact CG2-CG 4.33Å |
| 331 | T | 86.3 | Confident | 88.2 | Confident | 145 Ų | 145 | 83 Ų | 83 | 89% | 0.89 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -14.3 | 171.6 | -26.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 332 | W | 81.6 | Confident | 88.4 | Confident | 126 Ų | 126 | 77.6 Ų | 77.6 | 48% | 0.477 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 4.1 | -176.9 | -64.8 | 94.8 | 0 | 0 | 0 | 113.8 | T330 W383 R452 | T330-W332 PolarHBondContact O-N 3.47Å; T330-W332 PolarHBondContact OG1-N 2.8Å; W332-W383 HydrophobicContact CD2-CD2 4.47Å; W332-W383 AromaticContact CD2-CE2 3.89Å; W332-W383 HydrophobicContact CD2-CZ2 4.02Å; W332-W383 AromaticContact CD2-NE1 3.95Å; W332-W383 AromaticContact CE3-CE2 3.8Å; W332-W383 HydrophobicContact CE3-CH2 4.34Å; W332-W383 AromaticContact CE3-CZ2 3.56Å; W332-W383 HydrophobicContact CE3-CZ2 3.56Å; W332-W383 AromaticContact CE3-NE1 3.91Å; W332-W383 AromaticContact CG-NE1 3.97Å; W332-W383 AromaticContact CH2-CH2 3.69Å; W332-W383 HydrophobicContact CH2-CH2 3.69Å; W332-W383 AromaticContact CH2-CZ2 3.76Å; W332-W383 HydrophobicContact CH2-CZ2 3.76Å; W332-W383 HydrophobicContact CH2-CZ3 4.42Å; W332-W383 HydrophobicContact CZ2-CH2 4.13Å; W332-W383 HydrophobicContact CZ2-CZ2 4.26Å; W332-W383 HydrophobicContact CZ2-CZ3 4.45Å; W332-W383 AromaticContact CZ3-CH2 3.82Å; W332-W383 HydrophobicContact CZ3-CH2 3.82Å; W332-W383 AromaticContact CZ3-CZ2 3.39Å; W332-W383 HydrophobicContact CZ3-CZ2 3.39Å; W332-R452 VanDerWaalsContact CH2-CD 3.48Å; W332-R452 VanDerWaalsContact CH2-NH1 3.28Å; W332-R452 HydrophobicContact CZ3-CB 4.4Å |
| 333 | G | 85.1 | Confident | 88.7 | Confident | 35 Ų | 35 | 77.2 Ų | 77.2 | 36% | 0.361 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 123.1 | -165.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T330 | T330-G333 PolarHBondContact N-O 3.26Å; T330-G333 PolarHBondContact O-N 3.21Å; T330-G333 VanDerWaalsContact O-N 3.08Å; T330-G333 PolarHBondContact OG1-N 3.12Å; T330-G333 PolarHBondContact OG1-O 3Å |
| 334 | V | 89.4 | Confident | 89.1 | Confident | 97 Ų | 97 | 78 Ų | 78 | 59% | 0.588 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.6 | -172.8 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | V327 | V327-V334 HydrophobicContact CG1-CG1 3.22Å |
| 335 | L | 89.1 | Confident | 89.8 | Confident | 59 Ų | 59 | 68.3 Ų | 68.3 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 109.5 | 174.6 | -63.7 | 178.5 | 0 | 0 | 0 | 110.1 | L328 T330 P338 Y381 | L328-L335 HydrophobicContact CB-CB 4.38Å; L328-L335 HydrophobicContact CD2-CD1 4.5Å; L328-L335 PolarHBondContact N-O 2.82Å; L328-L335 VanDerWaalsContact N-O 3.16Å; L328-L335 PolarHBondContact O-N 3.29Å; T330-L335 HydrophobicContact CG2-CD1 4.02Å; T330-L335 HydrophobicContact CG2-CG 4.33Å; L335-P338 HydrophobicContact CB-CB 4.46Å; L335-Y381 HydrophobicContact CD2-CD1 4.26Å |
| 336 | D | 88.3 | Confident | 90.7 | Very high | 105 Ų | 105 | 64.6 Ų | 64.6 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -132.9 | 120.4 | 177.4 | -168.4 | 9.1 | 0 | 0 | 0 | 112 | V327 | V327-D336 HydrophobicContact CG1-CB 4.22Å; V327-D336 HydrophobicContact CG2-CB 4.27Å |
| 337 | P | 89.8 | Confident | 91.3 | Very high | 43 Ų | 43 | 57.2 Ų | 57.2 | 28% | 0.279 | 32% | 0.315 | S | S | . | . | S | Bend | cis | -62.8 | 155.9 | -27 | 28.9 | -35.6 | 0 | 0 | 0 | 110.6 | Y381 | P337-Y381 WeakPolarHBondContact O-CE1 3.26Å; P337-Y381 PolarHBondContact O-OH 3.18Å |
| 338 | P | 91.9 | Very high | 91.7 | Very high | 13 Ų | 13 | 57.5 Ų | 57.5 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | trans | -64.1 | 172.2 | 166.2 | 29 | -35.1 | 0 | 0 | 0 | 111.9 | K325 L328 L335 R343 | K325-P338 HydrophobicContact CB-CG 3.78Å; K325-P338 HydrophobicContact CD-CG 3.94Å; L328-P338 HydrophobicContact CB-CB 4.18Å; L328-P338 HydrophobicContact CB-CG 4.46Å; L328-P338 HydrophobicContact CD2-CB 4.46Å; L335-P338 HydrophobicContact CB-CB 4.46Å; P338-R343 PolarHBondContact O-NH1 2.98Å | ||
| 339 | V | 93 | Very high | 92.1 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.036 | 29% | 0.286 | C | S | . | . | trans | -63.9 | -57.3 | 175 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | R343 L344 M377 Y381 N384 | V339-R343 HydrophobicContact CG1-CB 4.1Å; V339-R343 WeakPolarHBondContact O-CB 3.24Å; V339-R343 VanDerWaalsContact O-CD 3.28Å; V339-R343 WeakPolarHBondContact O-CD 3.26Å; V339-R343 WeakPolarHBondContact O-CG 3.49Å; V339-L344 HydrophobicContact CG1-CB 4.44Å; V339-M377 HydrophobicContact CG1-CE 4.19Å; V339-Y381 HydrophobicContact CG2-CD1 3.53Å; V339-Y381 HydrophobicContact CG2-CD2 3.6Å; V339-Y381 HydrophobicContact CG2-CE1 3.91Å; V339-Y381 HydrophobicContact CG2-CE2 3.98Å; V339-Y381 HydrophobicContact CG2-CG 3.36Å; V339-N384 HydrophobicContact CG2-CB 4.31Å | ||
| 340 | G | 91.8 | Very high | 92.3 | Very high | 17 Ų | 17 | 45.2 Ų | 45.2 | 18% | 0.175 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | 76.4 | 164.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | L344 | G340-L344 WeakPolarHBondContact O-CB 3.47Å; G340-L344 PolarHBondContact O-N 3.16Å |
| 341 | N | 93.3 | Very high | 92.6 | Very high | 96 Ų | 96 | 42.7 Ų | 42.7 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -72.8 | -34.2 | -176.6 | -66.6 | -4.8 | 0 | 0 | 0 | 110.4 | E262 V266 N345 | E262-N341 PolarHBondContact OE1-N 2.99Å; V266-N341 HydrophobicContact CG2-CB 3.81Å; N341-N345 WeakPolarHBondContact O-CB 3.42Å; N341-N345 PolarHBondContact O-N 3.28Å; N341-N345 PolarHBondContact O-ND2 3.27Å |
| 342 | T | 95.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -49.6 | -62.5 | 171.7 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | E262 I265 L318 P323 L344 N345 V346 | E262-T342 WeakPolarHBondContact CG-OG1 3.5Å; E262-T342 PolarHBondContact OE1-N 3.08Å; E262-T342 PolarHBondContact OE1-OG1 3.27Å; E262-T342 VanDerWaalsContact OE1-OG1 3.08Å; I265-T342 HydrophobicContact CG2-CG2 3.98Å; L318-T342 HydrophobicContact CB-CG2 4.16Å; L318-T342 HydrophobicContact CD1-CG2 4.28Å; L318-T342 HydrophobicContact CD2-CG2 4.17Å; L318-T342 HydrophobicContact CG-CG2 4.45Å; P323-T342 WeakPolarHBondContact CD-OG1 3.49Å; P323-T342 HydrophobicContact CG-CG2 4.3Å; T342-L344 PolarHBondContact O-N 3.37Å; T342-N345 PolarHBondContact O-N 3.07Å; T342-V346 WeakPolarHBondContact O-CG2 3.36Å; T342-V346 PolarHBondContact O-N 2.84Å |
| 343 | R | 96.2 | Very high | 93.5 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 6% | 0.06 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.7 | -44.1 | -175 | -67.2 | -176.5 | 159.4 | 147.6 | -13.3 | 111.9 | L319 L320 P322 P338 V339 N345 V346 V347 M377 Y381 | L319-R343 HydrophobicContact CD2-CB 4.26Å; L319-R343 VanDerWaalsContact O-CZ 3.22Å; L319-R343 PolarHBondContact O-NE 3.08Å; L319-R343 PolarHBondContact O-NH2 3.17Å; L320-R343 PolarHBondContact O-NH2 3.13Å; P322-R343 HydrophobicContact CB-CG 4.09Å; P322-R343 HydrophobicContact CG-CG 4.34Å; P338-R343 PolarHBondContact O-NH1 2.98Å; V339-R343 HydrophobicContact CG1-CB 4.1Å; V339-R343 WeakPolarHBondContact O-CB 3.24Å; V339-R343 VanDerWaalsContact O-CD 3.28Å; V339-R343 WeakPolarHBondContact O-CD 3.26Å; V339-R343 WeakPolarHBondContact O-CG 3.49Å; R343-N345 VanDerWaalsContact C-N 3.29Å; R343-N345 PolarHBondContact O-N 3.48Å; R343-V346 PolarHBondContact O-N 3.08Å; R343-V346 VanDerWaalsContact O-N 3.13Å; R343-V347 WeakPolarHBondContact O-CG2 3.49Å; R343-V347 PolarHBondContact O-N 2.79Å; R343-M377 HydrophobicContact CB-CE 4.01Å; R343-Y381 PolarHBondContact NH1-OH 3.47Å |
| 344 | L | 96.6 | Very high | 93.7 | Very high | 30 Ų | 30 | 29.6 Ų | 29.6 | 16% | 0.157 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | -179.4 | 179.8 | 61.5 | 0 | 0 | 0 | 111.4 | V339 G340 T342 V347 R348 F386 Q390 | V339-L344 HydrophobicContact CG1-CB 4.44Å; G340-L344 WeakPolarHBondContact O-CB 3.47Å; G340-L344 PolarHBondContact O-N 3.16Å; T342-L344 PolarHBondContact O-N 3.37Å; L344-V347 PolarHBondContact O-N 3.41Å; L344-R348 WeakPolarHBondContact O-CG 3.35Å; L344-R348 PolarHBondContact O-N 3.37Å; L344-F386 HydrophobicContact CD1-CB 3.9Å; L344-F386 HydrophobicContact CD2-CB 3.78Å; L344-F386 HydrophobicContact CD2-CG 4.4Å; L344-Q390 HydrophobicContact CD1-CG 4.21Å |
| 345 | N | 97.3 | Very high | 93.6 | Very high | 14 Ų | 14 | 28.2 Ų | 28.2 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.3 | -33.3 | 176.4 | -74.3 | -65.5 | 0 | 0 | 0 | 112.7 | I269 N341 T342 R343 V347 R348 L349 | I269-N345 HydrophobicContact CB-CB 4.28Å; I269-N345 HydrophobicContact CD1-CB 4.11Å; I269-N345 HydrophobicContact CG2-CB 3.81Å; I269-N345 WeakPolarHBondContact CG2-O 3.43Å; N341-N345 WeakPolarHBondContact O-CB 3.42Å; N341-N345 PolarHBondContact O-N 3.28Å; N341-N345 PolarHBondContact O-ND2 3.27Å; T342-N345 PolarHBondContact O-N 3.07Å; R343-N345 VanDerWaalsContact C-N 3.29Å; R343-N345 PolarHBondContact O-N 3.48Å; N345-V347 VanDerWaalsContact C-N 3.34Å; N345-V347 PolarHBondContact O-N 3.4Å; N345-R348 WeakPolarHBondContact O-CB 3.43Å; N345-R348 PolarHBondContact O-N 3.24Å; N345-R348 WeakPolarHBondContact OD1-CD 3.33Å; N345-R348 PolarHBondContact OD1-NH1 2.95Å; N345-L349 WeakPolarHBondContact O-CB 3.44Å; N345-L349 PolarHBondContact O-N 3.03Å |
| 346 | V | 98.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.7 | -37.4 | 170.2 | 176.9 | 0 | 0 | 0 | 0 | 111.9 | I269 F315 L318 L319 T342 R343 L349 V350 | I269-V346 HydrophobicContact CD1-CG2 3.63Å; F315-V346 HydrophobicContact CB-CG1 4.1Å; F315-V346 HydrophobicContact CD1-CG2 4.01Å; L318-V346 HydrophobicContact CB-CG2 4.23Å; L318-V346 HydrophobicContact CD1-CG2 4.32Å; L319-V346 HydrophobicContact CD1-CG1 4.13Å; L319-V346 HydrophobicContact CD2-CB 3.88Å; L319-V346 HydrophobicContact CD2-CG1 3.74Å; L319-V346 HydrophobicContact CG-CB 4.37Å; L319-V346 HydrophobicContact CG-CG1 3.73Å; T342-V346 WeakPolarHBondContact O-CG2 3.36Å; T342-V346 PolarHBondContact O-N 2.84Å; R343-V346 PolarHBondContact O-N 3.08Å; R343-V346 VanDerWaalsContact O-N 3.13Å; V346-L349 WeakPolarHBondContact O-CB 3.25Å; V346-L349 PolarHBondContact O-N 2.97Å; V346-V350 WeakPolarHBondContact O-CG2 3.39Å; V346-V350 PolarHBondContact O-N 3.43Å |
| 347 | V | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.4 | -39.5 | 173.6 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | L319 R343 L344 N345 L349 V350 A351 I374 L387 Q390 | L319-V347 HydrophobicContact CD2-CG2 3.92Å; R343-V347 WeakPolarHBondContact O-CG2 3.49Å; R343-V347 PolarHBondContact O-N 2.79Å; L344-V347 PolarHBondContact O-N 3.41Å; N345-V347 VanDerWaalsContact C-N 3.34Å; N345-V347 PolarHBondContact O-N 3.4Å; V347-L349 VanDerWaalsContact C-N 3.32Å; V347-L349 PolarHBondContact O-N 3.13Å; V347-V350 PolarHBondContact O-N 2.95Å; V347-A351 PolarHBondContact O-N 2.82Å; V347-I374 HydrophobicContact CG1-CD1 4.25Å; V347-I374 HydrophobicContact CG1-CG1 4.43Å; V347-I374 HydrophobicContact CG1-CG2 3.96Å; V347-I374 HydrophobicContact CG2-CD1 4.45Å; V347-I374 HydrophobicContact CG2-CG1 4.11Å; V347-L387 HydrophobicContact CG1-CD1 4.44Å; V347-L387 HydrophobicContact CG2-CD1 3.97Å; V347-Q390 HydrophobicContact CB-CB 4.35Å; V347-Q390 HydrophobicContact CG1-CB 3.69Å |
| 348 | R | 96.6 | Very high | 93.2 | Very high | 80 Ų | 80 | 22.5 Ų | 22.5 | 30% | 0.302 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -56.6 | -45.4 | 170 | -67.8 | 171.7 | 76.1 | -148.7 | 3.1 | 111.3 | L273 L344 N345 V350 A351 S352 Q390 | L273-R348 HydrophobicContact CD1-CB 4.03Å; L273-R348 HydrophobicContact CD2-CB 4.17Å; L344-R348 WeakPolarHBondContact O-CG 3.35Å; L344-R348 PolarHBondContact O-N 3.37Å; N345-R348 WeakPolarHBondContact O-CB 3.43Å; N345-R348 PolarHBondContact O-N 3.24Å; N345-R348 WeakPolarHBondContact OD1-CD 3.33Å; N345-R348 PolarHBondContact OD1-NH1 2.95Å; R348-V350 PolarHBondContact O-N 3.29Å; R348-A351 WeakPolarHBondContact O-CB 2.8Å; R348-A351 PolarHBondContact O-N 3.44Å; R348-A351 VanDerWaalsContact O-N 3.15Å; R348-S352 PolarHBondContact O-N 3.47Å; R348-Q390 HydrophobicContact CG-CG 3.95Å |
| 349 | L | 97 | Very high | 93 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.7 | -41.3 | 179.3 | -173.8 | 63.2 | 0 | 0 | 0 | 111.9 | I269 L272 L273 F276 F315 N345 V346 V347 A351 S352 L353 | I269-L349 HydrophobicContact CG1-CD2 4.33Å; I269-L349 HydrophobicContact CG2-CB 3.97Å; I269-L349 HydrophobicContact CG2-CD2 4.33Å; L272-L349 HydrophobicContact CB-CD1 3.87Å; L272-L349 HydrophobicContact CD1-CD1 4.49Å; L272-L349 HydrophobicContact CD1-CD2 4.29Å; L273-L349 HydrophobicContact CD2-CD1 4.45Å; F276-L349 HydrophobicContact CD2-CD1 3.92Å; F276-L349 HydrophobicContact CE2-CD1 3.78Å; F315-L349 HydrophobicContact CD1-CD2 3.88Å; F315-L349 HydrophobicContact CD2-CD2 4.15Å; F315-L349 HydrophobicContact CE1-CD2 3.62Å; F315-L349 HydrophobicContact CE2-CD2 3.89Å; F315-L349 HydrophobicContact CG-CD2 4.14Å; F315-L349 HydrophobicContact CZ-CD2 3.62Å; N345-L349 WeakPolarHBondContact O-CB 3.44Å; N345-L349 PolarHBondContact O-N 3.03Å; V346-L349 WeakPolarHBondContact O-CB 3.25Å; V346-L349 PolarHBondContact O-N 2.97Å; V347-L349 VanDerWaalsContact C-N 3.32Å; V347-L349 PolarHBondContact O-N 3.13Å; L349-A351 VanDerWaalsContact C-N 3.32Å; L349-A351 PolarHBondContact O-N 3.48Å; L349-S352 PolarHBondContact O-N 3.28Å; L349-L353 HydrophobicContact CG-CD1 4Å; L349-L353 WeakPolarHBondContact O-CB 3.4Å; L349-L353 VanDerWaalsContact O-CG 3.26Å; L349-L353 WeakPolarHBondContact O-CG 3.2Å; L349-L353 PolarHBondContact O-N 2.9Å |
| 350 | V | 96.6 | Very high | 92.9 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 4% | 0.036 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.8 | -38 | 173.8 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | V346 V347 R348 L353 L354 L365 T370 I374 | V346-V350 WeakPolarHBondContact O-CG2 3.39Å; V346-V350 PolarHBondContact O-N 3.43Å; V347-V350 PolarHBondContact O-N 2.95Å; R348-V350 PolarHBondContact O-N 3.29Å; V350-L353 PolarHBondContact O-N 3.27Å; V350-L354 HydrophobicContact CG1-CD1 4.15Å; V350-L354 HydrophobicContact CG1-CG 4.46Å; V350-L354 VanDerWaalsContact O-CG 3.25Å; V350-L354 WeakPolarHBondContact O-CG 3.24Å; V350-L354 PolarHBondContact O-N 2.86Å; V350-L365 HydrophobicContact CG1-CD1 4.49Å; V350-L365 HydrophobicContact CG2-CD2 4.36Å; V350-T370 HydrophobicContact CG2-CG2 4.01Å; V350-I374 HydrophobicContact CB-CD1 4.14Å; V350-I374 HydrophobicContact CG1-CD1 3.83Å; V350-I374 HydrophobicContact CG2-CD1 4.26Å |
| 351 | A | 93.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.4 | -48.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V347 R348 L349 L353 L354 Q355 I393 M397 | V347-A351 PolarHBondContact O-N 2.82Å; R348-A351 WeakPolarHBondContact O-CB 2.8Å; R348-A351 PolarHBondContact O-N 3.44Å; R348-A351 VanDerWaalsContact O-N 3.15Å; L349-A351 VanDerWaalsContact C-N 3.32Å; L349-A351 PolarHBondContact O-N 3.48Å; A351-L353 PolarHBondContact O-N 3.43Å; A351-L354 WeakPolarHBondContact O-CB 3.39Å; A351-L354 PolarHBondContact O-N 3.29Å; A351-Q355 PolarHBondContact O-N 2.84Å; A351-I393 HydrophobicContact CB-CG2 4.15Å; A351-M397 HydrophobicContact CB-SD 4.38Å |
| 352 | S | 93.1 | Very high | 92.8 | Very high | 28 Ų | 28 | 22.7 Ų | 22.7 | 20% | 0.196 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.7 | -38.9 | 176.2 | -65.3 | 0 | 0 | 0 | 0 | 113 | L273 R348 L349 L354 Q355 C356 | L273-S352 VanDerWaalsContact CD2-OG 3.26Å; L273-S352 WeakPolarHBondContact CD2-OG 3.15Å; R348-S352 PolarHBondContact O-N 3.47Å; L349-S352 PolarHBondContact O-N 3.28Å; S352-L354 VanDerWaalsContact C-N 3.35Å; S352-Q355 WeakPolarHBondContact O-CB 3.45Å; S352-Q355 PolarHBondContact O-N 3.23Å; S352-C356 PolarHBondContact O-N 3.43Å; S352-C356 PolarHBondContact O-SG 3.42Å |
| 353 | L | 92.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.9 | -33.7 | 175.8 | -75.7 | 168.2 | 0 | 0 | 0 | 112.9 | F276 L305 V308 L312 L349 V350 A351 C356 I361 | F276-L353 HydrophobicContact CE1-CD2 4.24Å; F276-L353 HydrophobicContact CE2-CD2 3.8Å; F276-L353 HydrophobicContact CE2-CG 4.22Å; F276-L353 HydrophobicContact CZ-CD2 3.58Å; F276-L353 HydrophobicContact CZ-CG 4.48Å; L305-L353 HydrophobicContact CD2-CD2 4.36Å; V308-L353 HydrophobicContact CG1-CD1 4.32Å; V308-L353 HydrophobicContact CG1-CD2 4.11Å; L312-L353 HydrophobicContact CD2-CD1 3.6Å; L349-L353 HydrophobicContact CG-CD1 4Å; L349-L353 WeakPolarHBondContact O-CB 3.4Å; L349-L353 VanDerWaalsContact O-CG 3.26Å; L349-L353 WeakPolarHBondContact O-CG 3.2Å; L349-L353 PolarHBondContact O-N 2.9Å; V350-L353 PolarHBondContact O-N 3.27Å; A351-L353 PolarHBondContact O-N 3.43Å; L353-C356 WeakPolarHBondContact O-CB 3.27Å; L353-C356 PolarHBondContact O-N 3.27Å; L353-I361 HydrophobicContact CB-CG2 4.1Å; L353-I361 HydrophobicContact CD2-CG2 4.18Å |
| 354 | L | 90.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 169.8 | -72.2 | 165.5 | 0 | 0 | 0 | 110.3 | V350 A351 S352 C356 N357 L365 L371 C394 M397 I398 M401 L422 | V350-L354 HydrophobicContact CG1-CD1 4.15Å; V350-L354 HydrophobicContact CG1-CG 4.46Å; V350-L354 VanDerWaalsContact O-CG 3.25Å; V350-L354 WeakPolarHBondContact O-CG 3.24Å; V350-L354 PolarHBondContact O-N 2.86Å; A351-L354 WeakPolarHBondContact O-CB 3.39Å; A351-L354 PolarHBondContact O-N 3.29Å; S352-L354 VanDerWaalsContact C-N 3.35Å; L354-C356 PolarHBondContact O-N 2.78Å; L354-C356 VanDerWaalsContact O-N 3.08Å; L354-N357 PolarHBondContact O-N 3.38Å; L354-L365 HydrophobicContact CD2-CD1 4.28Å; L354-L371 HydrophobicContact CD1-CD2 4.31Å; L354-C394 HydrophobicContact CD1-CB 3.98Å; L354-M397 HydrophobicContact CB-SD 4.5Å; L354-I398 HydrophobicContact CD1-CD1 4.06Å; L354-I398 HydrophobicContact CD1-CG1 4.13Å; L354-I398 HydrophobicContact CD2-CD1 4.45Å; L354-I398 HydrophobicContact CD2-CG1 4.1Å; L354-M401 WeakPolarHBondContact O-CE 3.45Å; L354-L422 HydrophobicContact CD2-CD1 3.76Å; L354-L422 HydrophobicContact CD2-CD2 3.98Å |
| 355 | Q | 86.8 | Confident | 92.7 | Very high | 68 Ų | 68 | 24.8 Ų | 24.8 | 32% | 0.318 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -56.7 | -26.4 | 177.8 | -178.2 | 173.7 | -38.7 | 0 | 0 | 113.6 | T278 A351 S352 N357 M397 | T278-Q355 PolarHBondContact OG1-NE2 2.95Å; T278-Q355 VanDerWaalsContact OG1-NE2 3.14Å; A351-Q355 PolarHBondContact O-N 2.84Å; S352-Q355 WeakPolarHBondContact O-CB 3.45Å; S352-Q355 PolarHBondContact O-N 3.23Å; Q355-N357 PolarHBondContact O-N 2.94Å; Q355-M397 HydrophobicContact CB-CE 3.94Å; Q355-M397 HydrophobicContact CB-SD 4.2Å; Q355-M397 HydrophobicContact CG-CE 4.46Å; Q355-M397 VanDerWaalsContact OE1-CE 3.29Å |
| 356 | C | 85.9 | Confident | 92.6 | Very high | 26 Ų | 26 | 26.1 Ų | 26.1 | 18% | 0.176 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -8.1 | 174.6 | -60.3 | 0 | 0 | 0 | 0 | 114.2 | L305 S352 L353 L354 T358 | L305-C356 HydrophobicContact CD2-CB 4.12Å; S352-C356 PolarHBondContact O-N 3.43Å; S352-C356 PolarHBondContact O-SG 3.42Å; L353-C356 WeakPolarHBondContact O-CB 3.27Å; L353-C356 PolarHBondContact O-N 3.27Å; L354-C356 PolarHBondContact O-N 2.78Å; L354-C356 VanDerWaalsContact O-N 3.08Å; C356-T358 PolarHBondContact O-N 3.17Å; C356-T358 PolarHBondContact O-OG1 3.3Å |
| 357 | N | 85.2 | Confident | 92.5 | Very high | 34 Ų | 34 | 31.9 Ų | 31.9 | 18% | 0.182 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 41.6 | 34.8 | 177.3 | -154.8 | 12.6 | 0 | 0 | 0 | 115.9 | L354 Q355 M401 P402 A404 | L354-N357 PolarHBondContact O-N 3.38Å; Q355-N357 PolarHBondContact O-N 2.94Å; N357-M401 HydrophobicContact CB-CE 3.89Å; N357-M401 HydrophobicContact CB-SD 3.87Å; N357-M401 WeakPolarHBondContact OD1-CE 3.36Å; N357-P402 PolarHBondContact ND2-O 2.75Å; N357-A404 VanDerWaalsContact O-CB 3.26Å; N357-A404 WeakPolarHBondContact O-CB 3.42Å |
| 358 | T | 87.1 | Confident | 92.5 | Very high | 28 Ų | 28 | 33.7 Ų | 33.7 | 17% | 0.172 | 18% | 0.18 | C | C | . | . | trans | -97 | 118.1 | -169.6 | -67.5 | 0 | 0 | 0 | 0 | 110.6 | L305 C356 S360 I361 I362 | L305-T358 HydrophobicContact CD1-CG2 4.38Å; C356-T358 PolarHBondContact O-N 3.17Å; C356-T358 PolarHBondContact O-OG1 3.3Å; T358-S360 VanDerWaalsContact C-N 3.28Å; T358-S360 WeakPolarHBondContact CG2-OG 3.45Å; T358-S360 PolarHBondContact O-N 2.85Å; T358-S360 VanDerWaalsContact O-N 3.15Å; T358-I361 HydrophobicContact CG2-CG1 4.03Å; T358-I361 PolarHBondContact O-N 3.26Å; T358-I361 VanDerWaalsContact O-N 3.08Å; T358-I362 WeakPolarHBondContact O-CG1 3.27Å; T358-I362 PolarHBondContact O-N 3.08Å | ||
| 359 | H | 87.8 | Confident | 92.5 | Very high | 100 Ų | 100 | 32.9 Ų | 32.9 | 46% | 0.463 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -52.6 | -40.3 | -173 | 179.8 | -112.6 | 0 | 0 | 0 | 114.1 | I361 I362 A363 A404 | H359-I361 PolarHBondContact O-N 3.25Å; H359-I362 PolarHBondContact O-N 2.97Å; H359-A363 WeakPolarHBondContact O-CB 3.28Å; H359-A363 PolarHBondContact O-N 3.18Å; H359-A404 HydrophobicContact CB-CB 4.36Å |
| 360 | S | 90.3 | Very high | 92.5 | Very high | 27 Ų | 27 | 33 Ų | 33 | 19% | 0.189 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.4 | -29.8 | -178.5 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | R309 T358 | R309-S360 PolarHBondContact NE-O 2.93Å; T358-S360 VanDerWaalsContact C-N 3.28Å; T358-S360 WeakPolarHBondContact CG2-OG 3.45Å; T358-S360 PolarHBondContact O-N 2.85Å; T358-S360 VanDerWaalsContact O-N 3.15Å |
| 361 | I | 92.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -75.9 | -45.8 | 172 | -61.7 | -66.3 | 0 | 0 | 0 | 109.7 | L305 R309 L312 L353 T358 H359 A363 E364 L365 | L305-I361 HydrophobicContact CD2-CD1 4.5Å; L305-I361 HydrophobicContact CD2-CG1 4.21Å; R309-I361 HydrophobicContact CB-CD1 3.76Å; R309-I361 HydrophobicContact CG-CD1 4.28Å; L312-I361 HydrophobicContact CD1-CD1 3.99Å; L312-I361 HydrophobicContact CD1-CG2 4.18Å; L353-I361 HydrophobicContact CB-CG2 4.1Å; L353-I361 HydrophobicContact CD2-CG2 4.18Å; T358-I361 HydrophobicContact CG2-CG1 4.03Å; T358-I361 PolarHBondContact O-N 3.26Å; T358-I361 VanDerWaalsContact O-N 3.08Å; H359-I361 PolarHBondContact O-N 3.25Å; I361-A363 PolarHBondContact O-N 3.39Å; I361-E364 PolarHBondContact O-N 3.01Å; I361-L365 HydrophobicContact CG2-CD1 4.05Å; I361-L365 HydrophobicContact CG2-CG 4.45Å; I361-L365 WeakPolarHBondContact O-CG 3.38Å; I361-L365 PolarHBondContact O-N 2.72Å |
| 362 | I | 91.7 | Very high | 92.7 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 5% | 0.046 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.7 | -47 | 179.3 | -74.9 | 173.4 | 0 | 0 | 0 | 111.5 | T358 H359 E364 L365 I366 A404 L422 | T358-I362 WeakPolarHBondContact O-CG1 3.27Å; T358-I362 PolarHBondContact O-N 3.08Å; H359-I362 PolarHBondContact O-N 2.97Å; I362-E364 VanDerWaalsContact C-N 3.28Å; I362-E364 PolarHBondContact O-N 3.44Å; I362-L365 PolarHBondContact O-N 2.98Å; I362-I366 HydrophobicContact CG2-CD1 3.83Å; I362-I366 VanDerWaalsContact O-CG1 3.31Å; I362-I366 WeakPolarHBondContact O-CG1 3.47Å; I362-I366 PolarHBondContact O-N 3.21Å; I362-A404 HydrophobicContact CD1-CB 4.08Å; I362-L422 HydrophobicContact CD1-CD1 3.83Å; I362-L422 HydrophobicContact CG1-CD1 3.92Å; I362-L422 HydrophobicContact CG1-CG 4.36Å; I362-L422 HydrophobicContact CG2-CD1 4.13Å; I362-L422 HydrophobicContact CG2-CD2 3.91Å; I362-L422 HydrophobicContact CG2-CG 3.64Å |
| 363 | A | 92.9 | Very high | 93 | Very high | 42 Ų | 42 | 32.5 Ų | 32.5 | 35% | 0.347 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.1 | -37.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H359 I361 N367 | H359-A363 WeakPolarHBondContact O-CB 3.28Å; H359-A363 PolarHBondContact O-N 3.18Å; I361-A363 PolarHBondContact O-N 3.39Å; A363-N367 VanDerWaalsContact O-CB 3.28Å; A363-N367 WeakPolarHBondContact O-CB 3.35Å; A363-N367 PolarHBondContact O-N 3.28Å |
| 364 | E | 95.5 | Very high | 93.3 | Very high | 47 Ų | 47 | 32.5 Ų | 32.5 | 22% | 0.22 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73.7 | -40.2 | 179.1 | -159 | 62.7 | -118.2 | 0 | 0 | 112.2 | L312 I361 I362 I366 N367 L368 | L312-E364 HydrophobicContact CB-CG 4.19Å; L312-E364 HydrophobicContact CD1-CB 3.8Å; L312-E364 HydrophobicContact CD1-CG 4Å; I361-E364 PolarHBondContact O-N 3.01Å; I362-E364 VanDerWaalsContact C-N 3.28Å; I362-E364 PolarHBondContact O-N 3.44Å; E364-I366 VanDerWaalsContact C-N 3.27Å; E364-I366 PolarHBondContact O-N 2.93Å; E364-N367 PolarHBondContact O-N 3.15Å; E364-N367 PolarHBondContact OE1-ND2 3.14Å; E364-L368 HydrophobicContact CG-CD1 4.09Å; E364-L368 WeakPolarHBondContact O-CB 3.46Å; E364-L368 VanDerWaalsContact O-CG 3.29Å; E364-L368 WeakPolarHBondContact O-CG 3.47Å; E364-L368 PolarHBondContact O-N 3.35Å |
| 365 | L | 96.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.2 | -34.4 | 174.2 | -69 | 174.6 | 0 | 0 | 0 | 112.5 | V350 L354 I361 I362 N369 T370 | V350-L365 HydrophobicContact CG1-CD1 4.49Å; V350-L365 HydrophobicContact CG2-CD2 4.36Å; L354-L365 HydrophobicContact CD2-CD1 4.28Å; I361-L365 HydrophobicContact CG2-CD1 4.05Å; I361-L365 HydrophobicContact CG2-CG 4.45Å; I361-L365 WeakPolarHBondContact O-CG 3.38Å; I361-L365 PolarHBondContact O-N 2.72Å; I362-L365 PolarHBondContact O-N 2.98Å; L365-N369 PolarHBondContact O-N 3.41Å; L365-T370 HydrophobicContact CD2-CG2 4.12Å; L365-T370 PolarHBondContact O-N 3.43Å; L365-T370 VanDerWaalsContact O-N 3.07Å |
| 366 | I | 95.6 | Very high | 94.1 | Very high | 42 Ų | 42 | 33.5 Ų | 33.5 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.7 | -47.3 | 173.1 | -71.6 | 169.8 | 0 | 0 | 0 | 111 | I362 E364 L368 N369 A421 L422 H425 | I362-I366 HydrophobicContact CG2-CD1 3.83Å; I362-I366 VanDerWaalsContact O-CG1 3.31Å; I362-I366 WeakPolarHBondContact O-CG1 3.47Å; I362-I366 PolarHBondContact O-N 3.21Å; E364-I366 VanDerWaalsContact C-N 3.27Å; E364-I366 PolarHBondContact O-N 2.93Å; I366-L368 VanDerWaalsContact C-N 3.29Å; I366-L368 PolarHBondContact O-N 3Å; I366-N369 PolarHBondContact O-N 2.71Å; I366-A421 HydrophobicContact CD1-CB 3.81Å; I366-L422 HydrophobicContact CD1-CD2 4.07Å; I366-L422 HydrophobicContact CD1-CG 4.4Å; I366-L422 HydrophobicContact CG1-CD2 4.04Å; I366-H425 HydrophobicContact CD1-CB 4.41Å; I366-H425 HydrophobicContact CG1-CB 4.12Å; I366-H425 HydrophobicContact CG2-CB 4.37Å; I366-H425 PolarHBondContact O-CE1 3.46Å |
| 367 | N | 96.6 | Very high | 94.7 | Very high | 121 Ų | 121 | 32.8 Ų | 32.8 | 65% | 0.647 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -56.9 | -42.3 | 178 | -179.8 | 45.8 | 0 | 0 | 0 | 112.1 | A363 E364 N369 | A363-N367 VanDerWaalsContact O-CB 3.28Å; A363-N367 WeakPolarHBondContact O-CB 3.35Å; A363-N367 PolarHBondContact O-N 3.28Å; E364-N367 PolarHBondContact O-N 3.15Å; E364-N367 PolarHBondContact OE1-ND2 3.14Å; N367-N369 VanDerWaalsContact C-N 3.31Å; N367-N369 PolarHBondContact O-N 3.33Å |
| 368 | L | 97 | Very high | 95.3 | Very high | 39 Ų | 39 | 31.2 Ų | 31.2 | 20% | 0.204 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -8.6 | 177.3 | -65.7 | 167.8 | 0 | 0 | 0 | 113.7 | L312 K313 H316 E364 I366 T370 | L312-L368 HydrophobicContact CB-CD1 4.15Å; K313-L368 HydrophobicContact CB-CD1 4.32Å; K313-L368 HydrophobicContact CB-CD2 4.07Å; H316-L368 HydrophobicContact CB-CD1 4.24Å; H316-L368 PolarHBondContact CE1-O 2.63Å; H316-L368 PolarHBondContact ND1-O 2.92Å; E364-L368 HydrophobicContact CG-CD1 4.09Å; E364-L368 WeakPolarHBondContact O-CB 3.46Å; E364-L368 VanDerWaalsContact O-CG 3.29Å; E364-L368 WeakPolarHBondContact O-CG 3.47Å; E364-L368 PolarHBondContact O-N 3.35Å; I366-L368 VanDerWaalsContact C-N 3.29Å; I366-L368 PolarHBondContact O-N 3Å; L368-T370 WeakPolarHBondContact CB-OG1 3.24Å; L368-T370 PolarHBondContact O-N 3.25Å |
| 369 | N | 97.3 | Very high | 95.8 | Very high | 63 Ų | 63 | 31.8 Ų | 31.8 | 34% | 0.337 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 37.5 | -170.9 | -170.6 | 32.1 | 0 | 0 | 0 | 113.1 | L365 I366 N367 L371 G372 V373 H425 | L365-N369 PolarHBondContact O-N 3.41Å; I366-N369 PolarHBondContact O-N 2.71Å; N367-N369 VanDerWaalsContact C-N 3.31Å; N367-N369 PolarHBondContact O-N 3.33Å; N369-L371 PolarHBondContact O-N 2.84Å; N369-G372 PolarHBondContact O-N 2.77Å; N369-G372 VanDerWaalsContact O-N 3.07Å; N369-V373 PolarHBondContact O-N 2.97Å; N369-H425 PolarHBondContact OD1-CE1 3.03Å; N369-H425 PolarHBondContact OD1-NE2 3.45Å |
| 370 | T | 98.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62 | -33.7 | -174.4 | -62.2 | 0 | 0 | 0 | 0 | 112 | H316 L319 V350 L365 L368 V373 I374 | H316-T370 PolarHBondContact ND1-OG1 3.09Å; L319-T370 HydrophobicContact CD1-CG2 3.94Å; V350-T370 HydrophobicContact CG2-CG2 4.01Å; L365-T370 HydrophobicContact CD2-CG2 4.12Å; L365-T370 PolarHBondContact O-N 3.43Å; L365-T370 VanDerWaalsContact O-N 3.07Å; L368-T370 WeakPolarHBondContact CB-OG1 3.24Å; L368-T370 PolarHBondContact O-N 3.25Å; T370-V373 PolarHBondContact O-N 3.26Å; T370-I374 HydrophobicContact CG2-CD1 3.95Å; T370-I374 VanDerWaalsContact O-CG1 3.29Å; T370-I374 WeakPolarHBondContact O-CG1 3.49Å; T370-I374 PolarHBondContact O-N 2.86Å; T370-I374 VanDerWaalsContact O-N 3.08Å |
| 371 | L | 97.1 | Very high | 96.3 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.6 | -36.4 | 175.8 | -65.7 | 173.9 | 0 | 0 | 0 | 112.4 | L354 N369 I374 L375 I398 L422 | L354-L371 HydrophobicContact CD1-CD2 4.31Å; N369-L371 PolarHBondContact O-N 2.84Å; L371-I374 PolarHBondContact O-N 3.13Å; L371-L375 WeakPolarHBondContact O-CG 3.37Å; L371-L375 PolarHBondContact O-N 3.44Å; L371-I398 HydrophobicContact CD1-CD1 3.58Å; L371-I398 HydrophobicContact CD2-CD1 3.82Å; L371-I398 HydrophobicContact CG-CD1 4.37Å; L371-L422 HydrophobicContact CD1-CD2 4.1Å |
| 372 | G | 97.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -46.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | N369 I374 L375 D376 C430 | N369-G372 PolarHBondContact O-N 2.77Å; N369-G372 VanDerWaalsContact O-N 3.07Å; G372-I374 VanDerWaalsContact C-N 3.34Å; G372-I374 PolarHBondContact O-N 2.98Å; G372-L375 PolarHBondContact O-N 2.91Å; G372-D376 PolarHBondContact O-N 2.92Å; G372-C430 PolarHBondContact N-SG 2.73Å; G372-C430 VanDerWaalsContact N-SG 3.41Å |
| 373 | V | 98.2 | Very high | 96.4 | Very high | 21 Ų | 21 | 39 Ų | 39 | 13% | 0.127 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -39 | 177.1 | 177.6 | 0 | 0 | 0 | 0 | 112 | L319 L320 N369 T370 D376 M377 | L319-V373 HydrophobicContact CB-CG1 4Å; L320-V373 HydrophobicContact CD2-CG1 3.9Å; L320-V373 HydrophobicContact CD2-CG2 4.09Å; N369-V373 PolarHBondContact O-N 2.97Å; T370-V373 PolarHBondContact O-N 3.26Å; V373-D376 PolarHBondContact O-N 3.41Å; V373-M377 WeakPolarHBondContact O-CG 3.47Å; V373-M377 PolarHBondContact O-N 3.04Å |
| 374 | I | 98.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.9 | -39.7 | 175.9 | -70.7 | 168.2 | 0 | 0 | 0 | 111.2 | L319 V347 V350 T370 L371 G372 M377 Y378 V391 | L319-I374 HydrophobicContact CD1-CD1 4.31Å; L319-I374 HydrophobicContact CD1-CG1 3.95Å; V347-I374 HydrophobicContact CG1-CD1 4.25Å; V347-I374 HydrophobicContact CG1-CG1 4.43Å; V347-I374 HydrophobicContact CG1-CG2 3.96Å; V347-I374 HydrophobicContact CG2-CD1 4.45Å; V347-I374 HydrophobicContact CG2-CG1 4.11Å; V350-I374 HydrophobicContact CB-CD1 4.14Å; V350-I374 HydrophobicContact CG1-CD1 3.83Å; V350-I374 HydrophobicContact CG2-CD1 4.26Å; T370-I374 HydrophobicContact CG2-CD1 3.95Å; T370-I374 VanDerWaalsContact O-CG1 3.29Å; T370-I374 WeakPolarHBondContact O-CG1 3.49Å; T370-I374 PolarHBondContact O-N 2.86Å; T370-I374 VanDerWaalsContact O-N 3.08Å; L371-I374 PolarHBondContact O-N 3.13Å; G372-I374 VanDerWaalsContact C-N 3.34Å; G372-I374 PolarHBondContact O-N 2.98Å; I374-M377 PolarHBondContact O-N 3.1Å; I374-Y378 PolarHBondContact O-N 3.38Å; I374-V391 HydrophobicContact CG2-CB 4.41Å; I374-V391 HydrophobicContact CG2-CG1 4.43Å; I374-V391 HydrophobicContact CG2-CG2 3.44Å; I374-V391 VanDerWaalsContact CG2-CG2 3.44Å |
| 375 | L | 98.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.9 | -39.3 | 174.6 | -72.2 | 165.5 | 0 | 0 | 0 | 112.4 | L371 G372 M377 Y378 F379 V391 L426 C430 L432 | L371-L375 WeakPolarHBondContact O-CG 3.37Å; L371-L375 PolarHBondContact O-N 3.44Å; G372-L375 PolarHBondContact O-N 2.91Å; L375-M377 VanDerWaalsContact C-N 3.29Å; L375-M377 PolarHBondContact O-N 3.06Å; L375-Y378 WeakPolarHBondContact O-CB 3.21Å; L375-Y378 PolarHBondContact O-N 2.99Å; L375-F379 WeakPolarHBondContact O-CD2 3.45Å; L375-F379 PolarHBondContact O-N 3.03Å; L375-V391 HydrophobicContact CD2-CG1 3.88Å; L375-L426 HydrophobicContact CD1-CD1 4.05Å; L375-C430 HydrophobicContact CD1-CB 3.79Å; L375-L432 HydrophobicContact CD1-CD1 4.32Å; L375-L432 HydrophobicContact CD2-CD1 3.88Å |
| 376 | D | 97.9 | Very high | 96.5 | Very high | 82 Ų | 82 | 47.8 Ų | 47.8 | 44% | 0.439 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.9 | -41 | 172.6 | -70.5 | -28.7 | 0 | 0 | 0 | 111.3 | G372 V373 K380 R435 | G372-D376 PolarHBondContact O-N 2.92Å; V373-D376 PolarHBondContact O-N 3.41Å; D376-K380 VanDerWaalsContact O-CB 3.23Å; D376-K380 WeakPolarHBondContact O-CB 3.28Å; D376-K380 PolarHBondContact O-N 3Å; D376-R435 IonicContact OD1-CZ 3.85Å; D376-R435 IonicContact OD1-NH1 2.92Å; D376-R435 PolarHBondContact OD1-NH1 3.1Å; D376-R435 IonicContact OD1-NH2 2.68Å; D376-R435 PolarHBondContact OD1-NH2 2.88Å; D376-R435 IonicContact OD2-NH2 2.75Å |
| 377 | M | 97.7 | Very high | 96.6 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 5% | 0.054 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -42.4 | 172.7 | -75.5 | -177.8 | 41.7 | 0 | 0 | 112.8 | L319 V339 R343 V373 I374 L375 F379 K380 Y381 L387 | L319-M377 HydrophobicContact CB-SD 4.49Å; L319-M377 HydrophobicContact CD2-SD 4.19Å; V339-M377 HydrophobicContact CG1-CE 4.19Å; R343-M377 HydrophobicContact CB-CE 4.01Å; V373-M377 WeakPolarHBondContact O-CG 3.47Å; V373-M377 PolarHBondContact O-N 3.04Å; I374-M377 PolarHBondContact O-N 3.1Å; L375-M377 VanDerWaalsContact C-N 3.29Å; L375-M377 PolarHBondContact O-N 3.06Å; M377-F379 VanDerWaalsContact C-N 3.35Å; M377-F379 PolarHBondContact O-N 3.35Å; M377-K380 PolarHBondContact O-N 3.15Å; M377-Y381 HydrophobicContact CB-CD2 4.19Å; M377-Y381 HydrophobicContact CB-CE2 4.46Å; M377-Y381 HydrophobicContact CG-CD2 4.48Å; M377-Y381 HydrophobicContact CG-CE2 4.25Å; M377-Y381 WeakPolarHBondContact O-CD2 3.42Å; M377-Y381 PolarHBondContact O-N 2.92Å; M377-L387 HydrophobicContact CB-CD2 3.99Å; M377-L387 HydrophobicContact CE-CD1 3.91Å; M377-L387 HydrophobicContact CE-CD2 4.12Å |
| 378 | Y | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.3 | -50.4 | 179.2 | 174.3 | -82.9 | 0 | 0 | 0 | 111.7 | I374 L375 H388 V391 Y456 H459 L460 I463 | I374-Y378 PolarHBondContact O-N 3.38Å; L375-Y378 WeakPolarHBondContact O-CB 3.21Å; L375-Y378 PolarHBondContact O-N 2.99Å; Y378-H388 HydrophobicContact CD2-CB 4.2Å; Y378-H388 AromaticContact CD2-CD2 3.39Å; Y378-H388 WeakPolarHBondContact CD2-CD2 3.45Å; Y378-H388 HydrophobicContact CE2-CB 3.85Å; Y378-H388 AromaticContact CE2-CD2 3.68Å; Y378-H388 AromaticContact CE2-CG 3.97Å; Y378-H388 AromaticContact CG-CD2 3.89Å; Y378-H388 PolarHBondContact O-NE2 3.34Å; Y378-H388 VanDerWaalsContact O-NE2 3.08Å; Y378-V391 HydrophobicContact CD2-CB 3.68Å; Y378-V391 HydrophobicContact CD2-CG1 3.77Å; Y378-V391 HydrophobicContact CD2-CG2 3.93Å; Y378-V391 HydrophobicContact CE2-CB 4.34Å; Y378-V391 HydrophobicContact CE2-CG1 4.41Å; Y378-V391 HydrophobicContact CG-CG1 4.3Å; Y378-V391 HydrophobicContact CG-CG2 4.49Å; Y378-Y456 AromaticContact CE1-CD2 3.89Å; Y378-Y456 HydrophobicContact CE1-CD2 3.89Å; Y378-Y456 AromaticContact CE1-CG 3.89Å; Y378-Y456 HydrophobicContact CE1-CG 3.89Å; Y378-Y456 PolarHBondContact OH-O 2.7Å; Y378-H459 HydrophobicContact CE2-CB 4.22Å; Y378-L460 HydrophobicContact CE1-CD1 4.12Å; Y378-L460 WeakPolarHBondContact OH-CA 3.29Å; Y378-L460 PolarHBondContact OH-N 3.47Å; Y378-L460 VanDerWaalsContact OH-N 3.11Å; Y378-I463 HydrophobicContact CE2-CD1 4Å |
| 379 | F | 96.7 | Very high | 96.7 | Very high | 39 Ų | 39 | 41.3 Ų | 41.3 | 17% | 0.171 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -75.8 | -32.5 | 180 | -62.6 | -69.1 | 0 | 0 | 0 | 112.9 | L375 M377 R435 A439 Y456 L460 | L375-F379 WeakPolarHBondContact O-CD2 3.45Å; L375-F379 PolarHBondContact O-N 3.03Å; M377-F379 VanDerWaalsContact C-N 3.35Å; M377-F379 PolarHBondContact O-N 3.35Å; F379-R435 HydrophobicContact CE2-CB 3.81Å; F379-R435 HydrophobicContact CE2-CG 4.32Å; F379-R435 HydrophobicContact CZ-CB 3.98Å; F379-A439 HydrophobicContact CD1-CB 3.8Å; F379-A439 HydrophobicContact CE1-CB 3.37Å; F379-A439 HydrophobicContact CZ-CB 4.28Å; F379-Y456 HydrophobicContact CD1-CE1 4.16Å; F379-Y456 HydrophobicContact CD1-CE2 4.17Å; F379-Y456 AromaticContact CD1-CZ 3.88Å; F379-Y456 HydrophobicContact CE1-CE2 4.25Å; F379-L460 HydrophobicContact CE1-CD1 4.01Å; F379-L460 HydrophobicContact CZ-CD1 4.23Å |
| 380 | K | 94.6 | Very high | 96.6 | Very high | 120 Ų | 120 | 40 Ų | 40 | 52% | 0.522 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.5 | -43.3 | 175.8 | 179.9 | 176.2 | 177.6 | -178.7 | 0 | 112.5 | D376 M377 I382 | D376-K380 VanDerWaalsContact O-CB 3.23Å; D376-K380 WeakPolarHBondContact O-CB 3.28Å; D376-K380 PolarHBondContact O-N 3Å; M377-K380 PolarHBondContact O-N 3.15Å; K380-I382 PolarHBondContact O-N 3.32Å |
| 381 | Y | 94.8 | Very high | 96.6 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -97.5 | 68 | -174 | -65.8 | -73 | 0 | 0 | 0 | 111.4 | L335 P337 V339 R343 M377 W383 N384 L387 H388 | L335-Y381 HydrophobicContact CD2-CD1 4.26Å; P337-Y381 WeakPolarHBondContact O-CE1 3.26Å; P337-Y381 PolarHBondContact O-OH 3.18Å; V339-Y381 HydrophobicContact CG2-CD1 3.53Å; V339-Y381 HydrophobicContact CG2-CD2 3.6Å; V339-Y381 HydrophobicContact CG2-CE1 3.91Å; V339-Y381 HydrophobicContact CG2-CE2 3.98Å; V339-Y381 HydrophobicContact CG2-CG 3.36Å; R343-Y381 PolarHBondContact NH1-OH 3.47Å; M377-Y381 HydrophobicContact CB-CD2 4.19Å; M377-Y381 HydrophobicContact CB-CE2 4.46Å; M377-Y381 HydrophobicContact CG-CD2 4.48Å; M377-Y381 HydrophobicContact CG-CE2 4.25Å; M377-Y381 WeakPolarHBondContact O-CD2 3.42Å; M377-Y381 PolarHBondContact O-N 2.92Å; Y381-W383 PolarHBondContact O-N 3.15Å; Y381-N384 PolarHBondContact O-N 2.87Å; Y381-N384 VanDerWaalsContact O-N 3.08Å; Y381-L387 HydrophobicContact CD2-CD2 4.21Å; Y381-H388 PolarHBondContact O-CE1 2.97Å; Y381-H388 PolarHBondContact O-NE2 3.3Å |
| 382 | I | 94.3 | Very high | 96.6 | Very high | 51 Ų | 51 | 41.5 Ų | 41.5 | 26% | 0.262 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -29.4 | -169 | -60.8 | 176.3 | 0 | 0 | 0 | 115.3 | K380 H388 R454 G455 Y456 | K380-I382 PolarHBondContact O-N 3.32Å; I382-H388 PolarHBondContact O-CE1 3.23Å; I382-R454 HydrophobicContact CG2-CB 3.81Å; I382-R454 HydrophobicContact CG2-CG 3.95Å; I382-G455 WeakPolarHBondContact O-CA 3.48Å; I382-G455 PolarHBondContact O-N 2.97Å; I382-Y456 HydrophobicContact CG1-CE1 4.34Å; I382-Y456 HydrophobicContact CG2-CD1 4.4Å; I382-Y456 HydrophobicContact CG2-CE1 4.46Å; I382-Y456 PolarHBondContact O-N 2.95Å |
| 383 | W | 92.9 | Very high | 96.4 | Very high | 109 Ų | 109 | 44.4 Ų | 44.4 | 41% | 0.413 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 17.7 | -172.3 | -54.5 | 106.8 | 0 | 0 | 0 | 114.3 | W332 Y381 R453 | W332-W383 HydrophobicContact CD2-CD2 4.47Å; W332-W383 AromaticContact CD2-CE2 3.89Å; W332-W383 HydrophobicContact CD2-CZ2 4.02Å; W332-W383 AromaticContact CD2-NE1 3.95Å; W332-W383 AromaticContact CE3-CE2 3.8Å; W332-W383 HydrophobicContact CE3-CH2 4.34Å; W332-W383 AromaticContact CE3-CZ2 3.56Å; W332-W383 HydrophobicContact CE3-CZ2 3.56Å; W332-W383 AromaticContact CE3-NE1 3.91Å; W332-W383 AromaticContact CG-NE1 3.97Å; W332-W383 AromaticContact CH2-CH2 3.69Å; W332-W383 HydrophobicContact CH2-CH2 3.69Å; W332-W383 AromaticContact CH2-CZ2 3.76Å; W332-W383 HydrophobicContact CH2-CZ2 3.76Å; W332-W383 HydrophobicContact CH2-CZ3 4.42Å; W332-W383 HydrophobicContact CZ2-CH2 4.13Å; W332-W383 HydrophobicContact CZ2-CZ2 4.26Å; W332-W383 HydrophobicContact CZ2-CZ3 4.45Å; W332-W383 AromaticContact CZ3-CH2 3.82Å; W332-W383 HydrophobicContact CZ3-CH2 3.82Å; W332-W383 AromaticContact CZ3-CZ2 3.39Å; W332-W383 HydrophobicContact CZ3-CZ2 3.39Å; Y381-W383 PolarHBondContact O-N 3.15Å; W383-R453 VanDerWaalsContact CH2-O 3.26Å; W383-R453 WeakPolarHBondContact CH2-O 3.22Å |
| 384 | N | 94.4 | Very high | 96.3 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 24% | 0.235 | 21% | 0.206 | C | C | . | . | trans | -100.5 | 81.9 | -178.9 | -163.5 | -75.1 | 0 | 0 | 0 | 112.9 | V339 Y381 F386 L387 H388 | V339-N384 HydrophobicContact CG2-CB 4.31Å; Y381-N384 PolarHBondContact O-N 2.87Å; Y381-N384 VanDerWaalsContact O-N 3.08Å; N384-F386 VanDerWaalsContact C-N 3.25Å; N384-F386 PolarHBondContact O-N 3.09Å; N384-L387 HydrophobicContact CB-CB 4.18Å; N384-L387 WeakPolarHBondContact O-CB 3.39Å; N384-L387 PolarHBondContact O-N 3.41Å; N384-L387 VanDerWaalsContact O-N 3.11Å; N384-L387 VanDerWaalsContact OD1-CB 3.24Å; N384-L387 WeakPolarHBondContact OD1-CB 3.39Å; N384-L387 PolarHBondContact OD1-N 3.35Å; N384-H388 PolarHBondContact N-CE1 3.25Å; N384-H388 PolarHBondContact O-CE1 3.34Å; N384-H388 VanDerWaalsContact O-CG 3.28Å; N384-H388 PolarHBondContact O-N 2.78Å; N384-H388 VanDerWaalsContact O-N 3.09Å; N384-H388 PolarHBondContact O-ND1 2.89Å | ||
| 385 | N | 95.4 | Very high | 96.2 | Very high | 89 Ų | 89 | 43.6 Ų | 43.6 | 48% | 0.476 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -52.9 | -40.1 | -178.5 | -61.7 | 3.7 | 0 | 0 | 0 | 113 | L387 H388 I389 | N385-L387 PolarHBondContact O-N 3.18Å; N385-H388 PolarHBondContact O-N 3.01Å; N385-H388 VanDerWaalsContact O-N 3.13Å; N385-I389 VanDerWaalsContact O-CG1 3.27Å; N385-I389 WeakPolarHBondContact O-CG1 3.12Å; N385-I389 PolarHBondContact O-N 3.49Å |
| 386 | F | 96.6 | Very high | 95.9 | Very high | 144 Ų | 144 | 45 Ų | 45 | 63% | 0.632 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -59.6 | -44.8 | 179.2 | -62.7 | -73.4 | 0 | 0 | 0 | 112.7 | L344 N384 Q390 | L344-F386 HydrophobicContact CD1-CB 3.9Å; L344-F386 HydrophobicContact CD2-CB 3.78Å; L344-F386 HydrophobicContact CD2-CG 4.4Å; N384-F386 VanDerWaalsContact C-N 3.25Å; N384-F386 PolarHBondContact O-N 3.09Å; F386-Q390 WeakPolarHBondContact O-CG 3.4Å; F386-Q390 PolarHBondContact O-N 3.5Å |
| 387 | L | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 172.6 | 175.1 | 65.1 | 0 | 0 | 0 | 110.8 | V347 M377 Y381 N384 N385 I389 Q390 V391 | V347-L387 HydrophobicContact CG1-CD1 4.44Å; V347-L387 HydrophobicContact CG2-CD1 3.97Å; M377-L387 HydrophobicContact CB-CD2 3.99Å; M377-L387 HydrophobicContact CE-CD1 3.91Å; M377-L387 HydrophobicContact CE-CD2 4.12Å; Y381-L387 HydrophobicContact CD2-CD2 4.21Å; N384-L387 HydrophobicContact CB-CB 4.18Å; N384-L387 WeakPolarHBondContact O-CB 3.39Å; N384-L387 PolarHBondContact O-N 3.41Å; N384-L387 VanDerWaalsContact O-N 3.11Å; N384-L387 VanDerWaalsContact OD1-CB 3.24Å; N384-L387 WeakPolarHBondContact OD1-CB 3.39Å; N384-L387 PolarHBondContact OD1-N 3.35Å; N385-L387 PolarHBondContact O-N 3.18Å; L387-I389 VanDerWaalsContact C-N 3.34Å; L387-I389 PolarHBondContact O-N 3.04Å; L387-Q390 PolarHBondContact O-N 3.01Å; L387-Q390 VanDerWaalsContact O-N 3.09Å; L387-V391 HydrophobicContact CD1-CG2 4.18Å; L387-V391 HydrophobicContact CG-CG2 4.4Å; L387-V391 WeakPolarHBondContact O-CG2 3.38Å; L387-V391 PolarHBondContact O-N 3Å |
| 388 | H | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64 | -36.9 | -177.2 | -55.2 | 147.3 | 0 | 0 | 0 | 112.8 | Y378 Y381 I382 N384 N385 V391 E392 H459 | Y378-H388 HydrophobicContact CD2-CB 4.2Å; Y378-H388 AromaticContact CD2-CD2 3.39Å; Y378-H388 WeakPolarHBondContact CD2-CD2 3.45Å; Y378-H388 HydrophobicContact CE2-CB 3.85Å; Y378-H388 AromaticContact CE2-CD2 3.68Å; Y378-H388 AromaticContact CE2-CG 3.97Å; Y378-H388 AromaticContact CG-CD2 3.89Å; Y378-H388 PolarHBondContact O-NE2 3.34Å; Y378-H388 VanDerWaalsContact O-NE2 3.08Å; Y381-H388 PolarHBondContact O-CE1 2.97Å; Y381-H388 PolarHBondContact O-NE2 3.3Å; I382-H388 PolarHBondContact O-CE1 3.23Å; N384-H388 PolarHBondContact N-CE1 3.25Å; N384-H388 PolarHBondContact O-CE1 3.34Å; N384-H388 VanDerWaalsContact O-CG 3.28Å; N384-H388 PolarHBondContact O-N 2.78Å; N384-H388 VanDerWaalsContact O-N 3.09Å; N384-H388 PolarHBondContact O-ND1 2.89Å; N385-H388 PolarHBondContact O-N 3.01Å; N385-H388 VanDerWaalsContact O-N 3.13Å; H388-V391 PolarHBondContact O-N 3.07Å; H388-E392 VanDerWaalsContact O-CB 3.32Å; H388-E392 WeakPolarHBondContact O-CB 3.31Å; H388-E392 PolarHBondContact O-N 3.42Å; H388-H459 HydrophobicContact CB-CB 4.04Å; H388-H459 VanDerWaalsContact CB-CD2 3.45Å; H388-H459 WeakPolarHBondContact CB-CD2 3.18Å |
| 389 | I | 97.1 | Very high | 95.1 | Very high | 67 Ų | 67 | 42.3 Ų | 42.3 | 34% | 0.344 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.6 | -47.4 | 169.7 | -68.3 | 164.4 | 0 | 0 | 0 | 110.6 | N385 L387 V391 E392 I393 H459 | N385-I389 VanDerWaalsContact O-CG1 3.27Å; N385-I389 WeakPolarHBondContact O-CG1 3.12Å; N385-I389 PolarHBondContact O-N 3.49Å; L387-I389 VanDerWaalsContact C-N 3.34Å; L387-I389 PolarHBondContact O-N 3.04Å; I389-V391 PolarHBondContact O-N 3.31Å; I389-E392 WeakPolarHBondContact O-CB 3.4Å; I389-E392 PolarHBondContact O-N 3.24Å; I389-I393 HydrophobicContact CG2-CD1 3.8Å; I389-I393 VanDerWaalsContact O-CG1 3.31Å; I389-I393 WeakPolarHBondContact O-CG1 3.4Å; I389-I393 PolarHBondContact O-N 2.92Å; I389-H459 VanDerWaalsContact CG1-CE1 3.49Å; I389-H459 WeakPolarHBondContact CG1-CE1 3.34Å |
| 390 | Q | 95.8 | Very high | 94.7 | Very high | 34 Ų | 34 | 42.8 Ų | 42.8 | 16% | 0.159 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.2 | -35.8 | -178 | -63.4 | -57.7 | -44.4 | 0 | 0 | 112.8 | L344 V347 R348 F386 L387 I393 C394 | L344-Q390 HydrophobicContact CD1-CG 4.21Å; V347-Q390 HydrophobicContact CB-CB 4.35Å; V347-Q390 HydrophobicContact CG1-CB 3.69Å; R348-Q390 HydrophobicContact CG-CG 3.95Å; F386-Q390 WeakPolarHBondContact O-CG 3.4Å; F386-Q390 PolarHBondContact O-N 3.5Å; L387-Q390 PolarHBondContact O-N 3.01Å; L387-Q390 VanDerWaalsContact O-N 3.09Å; Q390-I393 PolarHBondContact O-N 2.7Å; Q390-C394 PolarHBondContact O-N 3.24Å; Q390-C394 PolarHBondContact O-SG 3.2Å |
| 391 | V | 97.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.8 | -37.2 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | I374 L375 Y378 L387 H388 I389 C394 T395 | I374-V391 HydrophobicContact CG2-CB 4.41Å; I374-V391 HydrophobicContact CG2-CG1 4.43Å; I374-V391 HydrophobicContact CG2-CG2 3.44Å; I374-V391 VanDerWaalsContact CG2-CG2 3.44Å; L375-V391 HydrophobicContact CD2-CG1 3.88Å; Y378-V391 HydrophobicContact CD2-CB 3.68Å; Y378-V391 HydrophobicContact CD2-CG1 3.77Å; Y378-V391 HydrophobicContact CD2-CG2 3.93Å; Y378-V391 HydrophobicContact CE2-CB 4.34Å; Y378-V391 HydrophobicContact CE2-CG1 4.41Å; Y378-V391 HydrophobicContact CG-CG1 4.3Å; Y378-V391 HydrophobicContact CG-CG2 4.49Å; L387-V391 HydrophobicContact CD1-CG2 4.18Å; L387-V391 HydrophobicContact CG-CG2 4.4Å; L387-V391 WeakPolarHBondContact O-CG2 3.38Å; L387-V391 PolarHBondContact O-N 3Å; H388-V391 PolarHBondContact O-N 3.07Å; I389-V391 PolarHBondContact O-N 3.31Å; V391-C394 PolarHBondContact O-N 3.26Å; V391-T395 WeakPolarHBondContact O-CB 3.18Å; V391-T395 PolarHBondContact O-N 2.93Å; V391-T395 PolarHBondContact O-OG1 2.92Å |
| 392 | E | 96.4 | Very high | 93.3 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 19% | 0.187 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 172.7 | -174 | 179.1 | 165.7 | 0 | 0 | 111.2 | H388 I389 T395 A396 H459 R462 I463 | H388-E392 VanDerWaalsContact O-CB 3.32Å; H388-E392 WeakPolarHBondContact O-CB 3.31Å; H388-E392 PolarHBondContact O-N 3.42Å; I389-E392 WeakPolarHBondContact O-CB 3.4Å; I389-E392 PolarHBondContact O-N 3.24Å; E392-T395 PolarHBondContact O-N 2.97Å; E392-A396 WeakPolarHBondContact O-CB 3.29Å; E392-A396 PolarHBondContact O-N 3.35Å; E392-H459 IonicContact OE2-CE1 2.79Å; E392-H459 IonicContact OE2-CG 2.76Å; E392-H459 IonicContact OE2-ND1 3.69Å; E392-H459 PolarHBondContact OE2-ND1 3.38Å; E392-R462 VanDerWaalsContact OE1-CB 3.29Å; E392-R462 WeakPolarHBondContact OE1-CB 3.25Å; E392-R462 WeakPolarHBondContact OE1-CD 3.26Å; E392-R462 IonicContact OE1-CZ 3.43Å; E392-R462 IonicContact OE1-NE 3.9Å; E392-R462 PolarHBondContact OE1-NE 3.18Å; E392-R462 IonicContact OE1-NH2 3.94Å; E392-R462 IonicContact OE2-CZ 3.54Å; E392-R462 IonicContact OE2-NE 2.7Å; E392-R462 PolarHBondContact OE2-NE 3.07Å; E392-R462 IonicContact OE2-NH2 3.58Å; E392-R462 PolarHBondContact OE2-NH2 2.64Å; E392-I463 HydrophobicContact CB-CD1 4.4Å; E392-I463 HydrophobicContact CB-CG1 4.27Å; E392-I463 HydrophobicContact CG-CG1 4.19Å |
| 393 | I | 93.8 | Very high | 92.3 | Very high | 62 Ų | 62 | 41.5 Ų | 41.5 | 32% | 0.318 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.1 | -50.5 | 174.8 | -67.9 | 165.5 | 0 | 0 | 0 | 111.4 | A351 I389 Q390 T395 A396 M397 | A351-I393 HydrophobicContact CB-CG2 4.15Å; I389-I393 HydrophobicContact CG2-CD1 3.8Å; I389-I393 VanDerWaalsContact O-CG1 3.31Å; I389-I393 WeakPolarHBondContact O-CG1 3.4Å; I389-I393 PolarHBondContact O-N 2.92Å; Q390-I393 PolarHBondContact O-N 2.7Å; I393-T395 VanDerWaalsContact C-N 3.27Å; I393-T395 PolarHBondContact O-N 3.44Å; I393-A396 PolarHBondContact O-N 3.08Å; I393-M397 HydrophobicContact CG2-CE 3.69Å; I393-M397 HydrophobicContact CG2-CG 4.43Å; I393-M397 HydrophobicContact CG2-SD 3.9Å; I393-M397 WeakPolarHBondContact O-CB 3.32Å; I393-M397 WeakPolarHBondContact O-CG 3.12Å; I393-M397 PolarHBondContact O-N 3.4Å |
| 394 | C | 95.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.8 | -44.1 | 177.5 | -68.9 | 0 | 0 | 0 | 0 | 111.4 | L354 Q390 V391 M397 I398 | L354-C394 HydrophobicContact CD1-CB 3.98Å; Q390-C394 PolarHBondContact O-N 3.24Å; Q390-C394 PolarHBondContact O-SG 3.2Å; V391-C394 PolarHBondContact O-N 3.26Å; C394-M397 PolarHBondContact O-N 2.78Å; C394-I398 WeakPolarHBondContact O-CD1 3.37Å; C394-I398 VanDerWaalsContact O-CG1 3.23Å; C394-I398 WeakPolarHBondContact O-CG1 3.36Å; C394-I398 PolarHBondContact O-N 2.85Å |
| 395 | T | 96.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.3 | -45.4 | -178.8 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | V391 E392 I393 M397 I398 L399 L426 L432 I463 | V391-T395 WeakPolarHBondContact O-CB 3.18Å; V391-T395 PolarHBondContact O-N 2.93Å; V391-T395 PolarHBondContact O-OG1 2.92Å; E392-T395 PolarHBondContact O-N 2.97Å; I393-T395 VanDerWaalsContact C-N 3.27Å; I393-T395 PolarHBondContact O-N 3.44Å; T395-M397 VanDerWaalsContact C-N 3.35Å; T395-M397 PolarHBondContact O-N 2.92Å; T395-I398 PolarHBondContact O-N 3.41Å; T395-L399 HydrophobicContact CG2-CD1 3.92Å; T395-L399 HydrophobicContact CG2-CG 4.47Å; T395-L399 VanDerWaalsContact O-CG 3.28Å; T395-L399 WeakPolarHBondContact O-CG 3.41Å; T395-L399 PolarHBondContact O-N 3.3Å; T395-L426 HydrophobicContact CG2-CD2 4.42Å; T395-L432 HydrophobicContact CG2-CD2 3.98Å; T395-I463 HydrophobicContact CG2-CG2 4.05Å |
| 396 | A | 92.8 | Very high | 87.8 | Confident | 37 Ų | 37 | 40 Ų | 40 | 31% | 0.306 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E392 I393 L399 A400 | E392-A396 WeakPolarHBondContact O-CB 3.29Å; E392-A396 PolarHBondContact O-N 3.35Å; I393-A396 PolarHBondContact O-N 3.08Å; A396-L399 PolarHBondContact O-N 3.48Å; A396-A400 VanDerWaalsContact O-CB 3.24Å; A396-A400 WeakPolarHBondContact O-CB 3.16Å; A396-A400 PolarHBondContact O-N 3.44Å |
| 397 | M | 90.7 | Very high | 85.7 | Confident | 34 Ų | 34 | 40.1 Ų | 40.1 | 17% | 0.167 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -47.7 | 174.6 | -73.1 | 174.8 | 169.4 | 0 | 0 | 112 | A351 L354 Q355 I393 C394 T395 L399 A400 M401 | A351-M397 HydrophobicContact CB-SD 4.38Å; L354-M397 HydrophobicContact CB-SD 4.5Å; Q355-M397 HydrophobicContact CB-CE 3.94Å; Q355-M397 HydrophobicContact CB-SD 4.2Å; Q355-M397 HydrophobicContact CG-CE 4.46Å; Q355-M397 VanDerWaalsContact OE1-CE 3.29Å; I393-M397 HydrophobicContact CG2-CE 3.69Å; I393-M397 HydrophobicContact CG2-CG 4.43Å; I393-M397 HydrophobicContact CG2-SD 3.9Å; I393-M397 WeakPolarHBondContact O-CB 3.32Å; I393-M397 WeakPolarHBondContact O-CG 3.12Å; I393-M397 PolarHBondContact O-N 3.4Å; C394-M397 PolarHBondContact O-N 2.78Å; T395-M397 VanDerWaalsContact C-N 3.35Å; T395-M397 PolarHBondContact O-N 2.92Å; M397-L399 VanDerWaalsContact C-N 3.31Å; M397-L399 PolarHBondContact O-N 2.89Å; M397-A400 PolarHBondContact O-N 3.34Å; M397-M401 WeakPolarHBondContact O-CB 3.27Å; M397-M401 VanDerWaalsContact O-CG 3.29Å; M397-M401 WeakPolarHBondContact O-CG 3.04Å; M397-M401 PolarHBondContact O-N 3.48Å |
| 398 | I | 92.8 | Very high | 83.2 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -37.8 | -179.8 | -67.9 | 159.4 | 0 | 0 | 0 | 111.9 | L354 L371 C394 T395 L422 I423 L426 | L354-I398 HydrophobicContact CD1-CD1 4.06Å; L354-I398 HydrophobicContact CD1-CG1 4.13Å; L354-I398 HydrophobicContact CD2-CD1 4.45Å; L354-I398 HydrophobicContact CD2-CG1 4.1Å; L371-I398 HydrophobicContact CD1-CD1 3.58Å; L371-I398 HydrophobicContact CD2-CD1 3.82Å; L371-I398 HydrophobicContact CG-CD1 4.37Å; C394-I398 WeakPolarHBondContact O-CD1 3.37Å; C394-I398 VanDerWaalsContact O-CG1 3.23Å; C394-I398 WeakPolarHBondContact O-CG1 3.36Å; C394-I398 PolarHBondContact O-N 2.85Å; T395-I398 PolarHBondContact O-N 3.41Å; I398-L422 HydrophobicContact CG1-CD1 4.35Å; I398-L422 HydrophobicContact CG2-CB 3.84Å; I398-I423 HydrophobicContact CG2-CG1 3.9Å; I398-I423 WeakPolarHBondContact O-CD1 3.36Å; I398-I423 VanDerWaalsContact O-CG1 3.28Å; I398-I423 WeakPolarHBondContact O-CG1 3.38Å; I398-L426 HydrophobicContact CB-CD2 4.21Å; I398-L426 HydrophobicContact CD1-CD2 4.33Å; I398-L426 HydrophobicContact CG2-CB 4.45Å; I398-L426 HydrophobicContact CG2-CD2 3.68Å |
| 399 | L | 92.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -75.2 | -39.8 | -179.9 | -67.6 | 168.8 | 0 | 0 | 0 | 112.9 | T395 A396 M397 F427 I467 N470 N476 I480 | T395-L399 HydrophobicContact CG2-CD1 3.92Å; T395-L399 HydrophobicContact CG2-CG 4.47Å; T395-L399 VanDerWaalsContact O-CG 3.28Å; T395-L399 WeakPolarHBondContact O-CG 3.41Å; T395-L399 PolarHBondContact O-N 3.3Å; A396-L399 PolarHBondContact O-N 3.48Å; M397-L399 VanDerWaalsContact C-N 3.31Å; M397-L399 PolarHBondContact O-N 2.89Å; L399-F427 HydrophobicContact CD2-CE2 3.91Å; L399-F427 HydrophobicContact CD2-CZ 4.16Å; L399-I467 HydrophobicContact CD1-CG1 3.81Å; L399-I467 HydrophobicContact CD2-CG1 4.44Å; L399-N470 HydrophobicContact CB-CB 3.91Å; L399-N476 PolarHBondContact O-ND2 2.99Å; L399-I480 HydrophobicContact CD2-CD1 3.86Å; L399-I480 HydrophobicContact CD2-CG1 4.43Å |
| 400 | A | 88.2 | Confident | 78.3 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 40% | 0.397 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -98.4 | -18 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A396 M397 P475 | A396-A400 VanDerWaalsContact O-CB 3.24Å; A396-A400 WeakPolarHBondContact O-CB 3.16Å; A396-A400 PolarHBondContact O-N 3.44Å; M397-A400 PolarHBondContact O-N 3.34Å; A400-P475 WeakPolarHBondContact O-CG 3.43Å |
| 401 | M | 83.1 | Confident | 75.8 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 15% | 0.148 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -72.7 | 139.2 | 175.4 | -75.9 | -159.7 | -43.4 | 0 | 0 | 111.9 | L354 N357 M397 N476 | L354-M401 WeakPolarHBondContact O-CE 3.45Å; N357-M401 HydrophobicContact CB-CE 3.89Å; N357-M401 HydrophobicContact CB-SD 3.87Å; N357-M401 WeakPolarHBondContact OD1-CE 3.36Å; M397-M401 WeakPolarHBondContact O-CB 3.27Å; M397-M401 VanDerWaalsContact O-CG 3.29Å; M397-M401 WeakPolarHBondContact O-CG 3.04Å; M397-M401 PolarHBondContact O-N 3.48Å; M401-N476 PolarHBondContact O-ND2 2.83Å |
| 402 | P | 77.6 | Confident | 73.5 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 51% | 0.506 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 154.2 | 166.1 | -22.9 | 33.9 | 0 | 0 | 0 | 111.9 | N357 A404 | N357-P402 PolarHBondContact ND2-O 2.75Å; P402-A404 PolarHBondContact O-N 2.84Å |
| 403 | P | 73.3 | Confident | 71 | Confident | 44 Ų | 44 | 72.9 Ų | 72.9 | 29% | 0.286 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 137.4 | 171.4 | -24.5 | 33.4 | 0 | 0 | 0 | 111.6 | A418 | P403-A418 HydrophobicContact CB-CB 4.46Å; P403-A418 WeakPolarHBondContact CB-O 3.45Å; P403-A418 WeakPolarHBondContact CG-O 3.31Å |
| 404 | A | 67.1 | Low | 68.5 | Low | 23 Ų | 23 | 79 Ų | 79 | 19% | 0.19 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 135.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N357 H359 I362 P402 A406 | N357-A404 VanDerWaalsContact O-CB 3.26Å; N357-A404 WeakPolarHBondContact O-CB 3.42Å; H359-A404 HydrophobicContact CB-CB 4.36Å; I362-A404 HydrophobicContact CD1-CB 4.08Å; P402-A404 PolarHBondContact O-N 2.84Å; A404-A406 PolarHBondContact O-N 3.16Å; A404-A406 VanDerWaalsContact O-N 3.1Å |
| 405 | P | 64.1 | Low | 65.7 | Low | 108 Ų | 108 | 83.6 Ų | 83.6 | 70% | 0.701 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 119.6 | 179.7 | 24.8 | -33.1 | 0 | 0 | 0 | 109.4 | ||
| 406 | A | 56.7 | Low | 63.2 | Low | 80 Ų | 80 | 86.2 Ų | 86.2 | 66% | 0.661 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 142.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A404 | A404-A406 PolarHBondContact O-N 3.16Å; A404-A406 VanDerWaalsContact O-N 3.1Å |
| 407 | E | 52.9 | Low | 61.4 | Low | 145 Ų | 145 | 89.2 Ų | 89.2 | 68% | 0.678 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 139.5 | 166.6 | -71.3 | 174.7 | -153 | 0 | 0 | 109.3 | Q409 | E407-Q409 VanDerWaalsContact C-N 3.32Å; E407-Q409 PolarHBondContact O-N 3.04Å |
| 408 | P | 45.1 | Very low | 60.2 | Low | 130 Ų | 130 | 90.7 Ų | 90.7 | 84% | 0.844 | 59% | 0.585 | S | S | * | * | trans | -70.2 | 87.5 | -175.6 | 28.4 | -35.1 | 0 | 0 | 0 | 110.9 | ||||
| 409 | Q | 43.7 | Very low | 59.5 | Low | 181 Ų | 181 | 96.1 Ų | 96.1 | 85% | 0.846 | 61% | 0.611 | S | S | * | * | trans | -61 | 129.3 | 171.6 | -78.4 | -169.1 | -26.2 | 0 | 0 | 110 | E407 | E407-Q409 VanDerWaalsContact C-N 3.32Å; E407-Q409 PolarHBondContact O-N 3.04Å | ||
| 410 | P | 47.8 | Very low | 59.1 | Low | 107 Ų | 107 | 96.8 Ų | 96.8 | 70% | 0.695 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -67.4 | 150.1 | 162.1 | 30.8 | -32.9 | 0 | 0 | 0 | 109.6 | ||
| 411 | D | 44 | Very low | 59.1 | Low | 160 Ų | 160 | 96.4 Ų | 96.4 | 86% | 0.856 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 65.7 | 83.1 | 171.1 | -57.3 | -25.7 | 0 | 0 | 0 | 118.2 | ||
| 412 | G | 49.8 | Very low | 59.5 | Low | 72 Ų | 72 | 95.1 Ų | 95.1 | 74% | 0.742 | 61% | 0.606 | S | S | * | * | 88.9 | 138 | 125.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 413 | E | 44 | Very low | 60.2 | Low | 182 Ų | 182 | 91.4 Ų | 91.4 | 85% | 0.85 | 58% | 0.582 | S | S | * | * | trans | 58.3 | 79.8 | 160.9 | -57.9 | -169.3 | 171.1 | 0 | 0 | 118.2 | ||||
| 414 | Q | 40.9 | Very low | 61.2 | Low | 191 Ų | 191 | 93.1 Ų | 93.1 | 89% | 0.893 | 58% | 0.583 | S | S | * | * | -164.3 | 117.2 | 119.2 | -105.1 | 143.8 | 97.2 | 0 | 0 | 112.9 | G416 | Q414-G416 PolarHBondContact O-N 3.15Š| |||
| 415 | G | 36.3 | Very low | 62.5 | Low | 98 Ų | 98 | 93.1 Ų | 93.1 | 100% | 1.01 | 58% | 0.578 | S | S | * | * | trans | -84.5 | 36.7 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 416 | G | 45 | Very low | 64 | Low | 59 Ų | 59 | 88.1 Ų | 88.1 | 61% | 0.608 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -92.7 | 149.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q414 A418 | Q414-G416 PolarHBondContact O-N 3.15Å; G416-A418 PolarHBondContact O-N 3.06Å |
| 417 | A | 55 | Low | 65.9 | Low | 100 Ų | 100 | 84.4 Ų | 84.4 | 83% | 0.826 | 52% | 0.515 | S | S | * | . | trans | -64.1 | 127.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | E419 | A417-E419 PolarHBondContact O-N 2.82Å; A417-E419 VanDerWaalsContact O-N 3.12Å | ||
| 418 | A | 64.9 | Low | 67.8 | Low | 65 Ų | 65 | 82.1 Ų | 82.1 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | trans | -65.2 | 112.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | P403 G416 | P403-A418 HydrophobicContact CB-CB 4.46Å; P403-A418 WeakPolarHBondContact CB-O 3.45Å; P403-A418 WeakPolarHBondContact CG-O 3.31Å; G416-A418 PolarHBondContact O-N 3.06Å | ||
| 419 | E | 77.6 | Confident | 70.1 | Confident | 117 Ų | 117 | 78.6 Ų | 78.6 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | trans | -72.3 | 130.5 | -176.7 | -74.6 | -177.3 | -158.3 | 0 | 0 | 112.6 | A417 A421 R424 Q479 | A417-E419 PolarHBondContact O-N 2.82Å; A417-E419 VanDerWaalsContact O-N 3.12Å; E419-A421 PolarHBondContact O-N 3.2Å; E419-R424 IonicContact OE2-CZ 2.58Å; E419-R424 IonicContact OE2-NE 3.39Å; E419-R424 IonicContact OE2-NH2 2.62Å; E419-R424 PolarHBondContact OE2-NH2 3.43Å; E419-Q479 HydrophobicContact CB-CG 4.3Å; E419-Q479 HydrophobicContact CG-CG 4.05Å | ||
| 420 | S | 83.8 | Confident | 72.6 | Confident | 14 Ų | 14 | 70 Ų | 70 | 10% | 0.098 | 45% | 0.446 | C | S | . | . | trans | -63.9 | 117.3 | -179.9 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | L422 I423 R424 Q479 | S420-L422 VanDerWaalsContact C-N 3.26Å; S420-L422 PolarHBondContact O-N 3.31Å; S420-I423 PolarHBondContact O-N 3.33Å; S420-R424 PolarHBondContact O-N 3.49Å; S420-Q479 PolarHBondContact O-NE2 2.9Å | ||
| 421 | A | 88.9 | Confident | 74.9 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 33% | 0.331 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.7 | -32.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I366 E419 H425 | I366-A421 HydrophobicContact CD1-CB 3.81Å; E419-A421 PolarHBondContact O-N 3.2Å; A421-H425 WeakPolarHBondContact O-CB 3.26Å; A421-H425 PolarHBondContact O-N 3.3Å |
| 422 | L | 91 | Very high | 77.5 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.016 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 176.3 | -73.8 | 169.6 | 0 | 0 | 0 | 112 | L354 I362 I366 L371 I398 S420 R424 H425 L426 | L354-L422 HydrophobicContact CD2-CD1 3.76Å; L354-L422 HydrophobicContact CD2-CD2 3.98Å; I362-L422 HydrophobicContact CD1-CD1 3.83Å; I362-L422 HydrophobicContact CG1-CD1 3.92Å; I362-L422 HydrophobicContact CG1-CG 4.36Å; I362-L422 HydrophobicContact CG2-CD1 4.13Å; I362-L422 HydrophobicContact CG2-CD2 3.91Å; I362-L422 HydrophobicContact CG2-CG 3.64Å; I366-L422 HydrophobicContact CD1-CD2 4.07Å; I366-L422 HydrophobicContact CD1-CG 4.4Å; I366-L422 HydrophobicContact CG1-CD2 4.04Å; L371-L422 HydrophobicContact CD1-CD2 4.1Å; I398-L422 HydrophobicContact CG1-CD1 4.35Å; I398-L422 HydrophobicContact CG2-CB 3.84Å; S420-L422 VanDerWaalsContact C-N 3.26Å; S420-L422 PolarHBondContact O-N 3.31Å; L422-R424 VanDerWaalsContact C-N 3.35Å; L422-R424 PolarHBondContact O-N 3.2Å; L422-H425 PolarHBondContact O-N 2.87Å; L422-L426 VanDerWaalsContact O-CB 3.29Å; L422-L426 WeakPolarHBondContact O-CB 3.32Å; L422-L426 PolarHBondContact O-N 3Å |
| 423 | I | 93.3 | Very high | 79.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | -178.2 | -60.6 | 178.2 | 0 | 0 | 0 | 109.7 | I398 S420 H425 L426 F427 N476 I480 L483 | I398-I423 HydrophobicContact CG2-CG1 3.9Å; I398-I423 WeakPolarHBondContact O-CD1 3.36Å; I398-I423 VanDerWaalsContact O-CG1 3.28Å; I398-I423 WeakPolarHBondContact O-CG1 3.38Å; S420-I423 PolarHBondContact O-N 3.33Å; I423-H425 PolarHBondContact O-N 3Å; I423-L426 PolarHBondContact O-N 3.11Å; I423-F427 HydrophobicContact CG2-CD2 3.95Å; I423-F427 HydrophobicContact CG2-CE2 3.97Å; I423-F427 VanDerWaalsContact O-CD2 3.29Å; I423-F427 WeakPolarHBondContact O-CD2 3.48Å; I423-F427 PolarHBondContact O-N 3.29Å; I423-N476 HydrophobicContact CD1-CB 3.32Å; I423-I480 HydrophobicContact CD1-CG1 4.48Å; I423-I480 HydrophobicContact CG2-CG1 3.87Å; I423-L483 HydrophobicContact CG2-CD1 3.72Å |
| 424 | R | 93.3 | Very high | 82.3 | Confident | 81 Ų | 81 | 51.3 Ų | 51.3 | 31% | 0.306 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 174.2 | -167.1 | 178.8 | -52.4 | 99.3 | -1.8 | 111.9 | E419 S420 L422 Q428 L483 | E419-R424 IonicContact OE2-CZ 2.58Å; E419-R424 IonicContact OE2-NE 3.39Å; E419-R424 IonicContact OE2-NH2 2.62Å; E419-R424 PolarHBondContact OE2-NH2 3.43Å; S420-R424 PolarHBondContact O-N 3.49Å; L422-R424 VanDerWaalsContact C-N 3.35Å; L422-R424 PolarHBondContact O-N 3.2Å; R424-Q428 HydrophobicContact CG-CG 4.34Å; R424-Q428 VanDerWaalsContact O-CB 3.3Å; R424-Q428 WeakPolarHBondContact O-CB 3.5Å; R424-Q428 PolarHBondContact O-N 3.42Å; R424-L483 HydrophobicContact CB-CD1 4.44Å; R424-L483 HydrophobicContact CB-CD2 4.43Å; R424-L483 HydrophobicContact CG-CD2 3.97Å |
| 425 | H | 94.7 | Very high | 85 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 10% | 0.102 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -63.5 | -41.3 | 176.7 | 178.7 | 82.8 | 0 | 0 | 0 | 112.5 | I366 N369 A421 L422 I423 F427 A429 C430 | I366-H425 HydrophobicContact CD1-CB 4.41Å; I366-H425 HydrophobicContact CG1-CB 4.12Å; I366-H425 HydrophobicContact CG2-CB 4.37Å; I366-H425 PolarHBondContact O-CE1 3.46Å; N369-H425 PolarHBondContact OD1-CE1 3.03Å; N369-H425 PolarHBondContact OD1-NE2 3.45Å; A421-H425 WeakPolarHBondContact O-CB 3.26Å; A421-H425 PolarHBondContact O-N 3.3Å; L422-H425 PolarHBondContact O-N 2.87Å; I423-H425 PolarHBondContact O-N 3Å; H425-F427 PolarHBondContact O-N 3.13Å; H425-A429 CarbonylContact O-C 3.6Å; H425-A429 WeakPolarHBondContact O-CA 3.37Å; H425-A429 WeakPolarHBondContact O-CB 3.39Å; H425-A429 PolarHBondContact O-N 2.93Å; H425-C430 PolarHBondContact O-N 3.29Å |
| 426 | L | 96.3 | Very high | 87.9 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -65.3 | -38.5 | 179.9 | -174.8 | 64.7 | 0 | 0 | 0 | 112.7 | L375 T395 I398 L422 I423 C430 L432 | L375-L426 HydrophobicContact CD1-CD1 4.05Å; T395-L426 HydrophobicContact CG2-CD2 4.42Å; I398-L426 HydrophobicContact CB-CD2 4.21Å; I398-L426 HydrophobicContact CD1-CD2 4.33Å; I398-L426 HydrophobicContact CG2-CB 4.45Å; I398-L426 HydrophobicContact CG2-CD2 3.68Å; L422-L426 VanDerWaalsContact O-CB 3.29Å; L422-L426 WeakPolarHBondContact O-CB 3.32Å; L422-L426 PolarHBondContact O-N 3Å; I423-L426 PolarHBondContact O-N 3.11Å; L426-C430 HydrophobicContact CD1-CB 4.34Å; L426-C430 WeakPolarHBondContact O-CB 3.46Å; L426-L432 HydrophobicContact CD1-CB 4.39Å; L426-L432 HydrophobicContact CD1-CD2 3.99Å; L426-L432 HydrophobicContact CD2-CD2 3.81Å; L426-L432 HydrophobicContact CG-CB 4.29Å; L426-L432 HydrophobicContact CG-CD2 3.76Å; L426-L432 WeakPolarHBondContact O-CB 3.4Å; L426-L432 PolarHBondContact O-N 3.48Å |
| 427 | F | 95.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -83.8 | -47 | 179.9 | -78.9 | -114.5 | 0 | 0 | 0 | 112.1 | L399 I423 H425 Q431 I433 I467 I480 L483 I484 | L399-F427 HydrophobicContact CD2-CE2 3.91Å; L399-F427 HydrophobicContact CD2-CZ 4.16Å; I423-F427 HydrophobicContact CG2-CD2 3.95Å; I423-F427 HydrophobicContact CG2-CE2 3.97Å; I423-F427 VanDerWaalsContact O-CD2 3.29Å; I423-F427 WeakPolarHBondContact O-CD2 3.48Å; I423-F427 PolarHBondContact O-N 3.29Å; H425-F427 PolarHBondContact O-N 3.13Å; F427-Q431 WeakPolarHBondContact O-CA 3.29Å; F427-I433 HydrophobicContact CD1-CD1 4.27Å; F427-I433 HydrophobicContact CD1-CG1 3.82Å; F427-I433 HydrophobicContact CE1-CD1 3.78Å; F427-I433 HydrophobicContact CE1-CG1 3.86Å; F427-I433 HydrophobicContact CZ-CD1 4.49Å; F427-I467 HydrophobicContact CE1-CG2 4.31Å; F427-I467 HydrophobicContact CZ-CG2 3.98Å; F427-I480 HydrophobicContact CE1-CG2 4.09Å; F427-I480 HydrophobicContact CZ-CG2 3.84Å; F427-L483 HydrophobicContact CB-CB 4.34Å; F427-L483 HydrophobicContact CB-CD1 4.43Å; F427-L483 HydrophobicContact CD1-CB 4.38Å; F427-L483 HydrophobicContact CG-CB 4.46Å; F427-I484 HydrophobicContact CD1-CG1 4.21Å; F427-I484 HydrophobicContact CE1-CD1 4.12Å; F427-I484 HydrophobicContact CE1-CG1 3.8Å |
| 428 | Q | 93.1 | Very high | 92.4 | Very high | 97 Ų | 97 | 37.7 Ų | 37.7 | 45% | 0.453 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -86.7 | -47.4 | -173.2 | -62.6 | 179 | -16.2 | 0 | 0 | 113.4 | R424 L483 E486 | R424-Q428 HydrophobicContact CG-CG 4.34Å; R424-Q428 VanDerWaalsContact O-CB 3.3Å; R424-Q428 WeakPolarHBondContact O-CB 3.5Å; R424-Q428 PolarHBondContact O-N 3.42Å; Q428-L483 HydrophobicContact CG-CD2 4.18Å; Q428-E486 PolarHBondContact NE2-OE2 3.46Å |
| 429 | A | 93.4 | Very high | 93.9 | Very high | 57 Ų | 57 | 35 Ų | 35 | 47% | 0.471 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -90.6 | -38.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H425 | H425-A429 CarbonylContact O-C 3.6Å; H425-A429 WeakPolarHBondContact O-CA 3.37Å; H425-A429 WeakPolarHBondContact O-CB 3.39Å; H425-A429 PolarHBondContact O-N 2.93Å |
| 430 | C | 96.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -82.3 | -15 | 174.4 | -66.4 | 0 | 0 | 0 | 0 | 113.2 | G372 L375 H425 L426 L432 R435 | G372-C430 PolarHBondContact N-SG 2.73Å; G372-C430 VanDerWaalsContact N-SG 3.41Å; L375-C430 HydrophobicContact CD1-CB 3.79Å; H425-C430 PolarHBondContact O-N 3.29Å; L426-C430 HydrophobicContact CD1-CB 4.34Å; L426-C430 WeakPolarHBondContact O-CB 3.46Å; C430-L432 VanDerWaalsContact C-N 3.34Å; C430-L432 PolarHBondContact O-N 2.97Å; C430-R435 VanDerWaalsContact O-CD 3.23Å; C430-R435 WeakPolarHBondContact O-CD 3.38Å; C430-R435 PolarHBondContact O-NE 3.14Å |
| 431 | Q | 96.4 | Very high | 95.3 | Very high | 101 Ų | 101 | 34.2 Ų | 34.2 | 47% | 0.472 | 17% | 0.171 | S | C | . | . | trans | 55.2 | 42.6 | 177.9 | -54 | -175.7 | -76.3 | 0 | 0 | 113.7 | F427 I433 Q434 R435 | F427-Q431 WeakPolarHBondContact O-CA 3.29Å; Q431-I433 VanDerWaalsContact C-N 3.3Å; Q431-I433 PolarHBondContact O-N 2.95Å; Q431-Q434 HydrophobicContact CB-CB 4.45Å; Q431-Q434 PolarHBondContact O-N 3.47Å; Q431-Q434 PolarHBondContact O-OE1 3.49Å; Q431-R435 WeakPolarHBondContact O-CB 3.43Å; Q431-R435 VanDerWaalsContact O-CG 3.32Å; Q431-R435 WeakPolarHBondContact O-CG 3.4Å; Q431-R435 PolarHBondContact O-N 3.39Å | ||
| 432 | L | 97.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.9 | -39.5 | -172.3 | 180 | 60.4 | 0 | 0 | 0 | 113.2 | L375 T395 L426 C430 R435 I436 I467 | L375-L432 HydrophobicContact CD1-CD1 4.32Å; L375-L432 HydrophobicContact CD2-CD1 3.88Å; T395-L432 HydrophobicContact CG2-CD2 3.98Å; L426-L432 HydrophobicContact CD1-CB 4.39Å; L426-L432 HydrophobicContact CD1-CD2 3.99Å; L426-L432 HydrophobicContact CD2-CD2 3.81Å; L426-L432 HydrophobicContact CG-CB 4.29Å; L426-L432 HydrophobicContact CG-CD2 3.76Å; L426-L432 WeakPolarHBondContact O-CB 3.4Å; L426-L432 PolarHBondContact O-N 3.48Å; C430-L432 VanDerWaalsContact C-N 3.34Å; C430-L432 PolarHBondContact O-N 2.97Å; L432-R435 PolarHBondContact O-N 3.45Å; L432-I436 HydrophobicContact CD1-CD1 3.95Å; L432-I436 HydrophobicContact CD1-CG1 4.18Å; L432-I436 HydrophobicContact CG-CD1 3.85Å; L432-I436 WeakPolarHBondContact O-CD1 3.32Å; L432-I436 VanDerWaalsContact O-CG1 3.26Å; L432-I436 WeakPolarHBondContact O-CG1 3.47Å; L432-I436 PolarHBondContact O-N 2.92Å; L432-I467 HydrophobicContact CD2-CD1 3.86Å; L432-I467 HydrophobicContact CG-CD1 4.23Å |
| 433 | I | 97.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.1 | -50.3 | -178.9 | -62.2 | -60.6 | 0 | 0 | 0 | 111.1 | F427 Q431 R435 I436 V437 I467 L487 W495 | F427-I433 HydrophobicContact CD1-CD1 4.27Å; F427-I433 HydrophobicContact CD1-CG1 3.82Å; F427-I433 HydrophobicContact CE1-CD1 3.78Å; F427-I433 HydrophobicContact CE1-CG1 3.86Å; F427-I433 HydrophobicContact CZ-CD1 4.49Å; Q431-I433 VanDerWaalsContact C-N 3.3Å; Q431-I433 PolarHBondContact O-N 2.95Å; I433-R435 PolarHBondContact O-N 3.26Å; I433-I436 PolarHBondContact O-N 3.35Å; I433-V437 WeakPolarHBondContact O-CG2 3.32Å; I433-V437 PolarHBondContact O-N 2.91Å; I433-V437 VanDerWaalsContact O-N 3.1Å; I433-I467 HydrophobicContact CD1-CD1 4.05Å; I433-I467 HydrophobicContact CD1-CG2 4.18Å; I433-L487 HydrophobicContact CB-CD1 4.18Å; I433-L487 HydrophobicContact CG1-CD1 4.24Å; I433-L487 HydrophobicContact CG2-CD1 3.89Å; I433-W495 HydrophobicContact CD1-CD2 4.02Å; I433-W495 HydrophobicContact CD1-CE3 4.2Å; I433-W495 HydrophobicContact CD1-CH2 3.95Å; I433-W495 HydrophobicContact CD1-CZ2 3.74Å; I433-W495 HydrophobicContact CD1-CZ3 4.16Å; I433-W495 HydrophobicContact CG2-CB 3.85Å; I433-W495 HydrophobicContact CG2-CD2 3.71Å; I433-W495 HydrophobicContact CG2-CE3 3.79Å; I433-W495 HydrophobicContact CG2-CG 3.75Å |
| 434 | Q | 96.8 | Very high | 95.8 | Very high | 24 Ų | 24 | 38 Ų | 38 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.3 | -47.6 | 177.1 | -63.6 | 83.2 | -7.5 | 0 | 0 | 110.5 | Q431 I436 V437 D438 D491 | Q431-Q434 HydrophobicContact CB-CB 4.45Å; Q431-Q434 PolarHBondContact O-N 3.47Å; Q431-Q434 PolarHBondContact O-OE1 3.49Å; Q434-I436 VanDerWaalsContact C-N 3.31Å; Q434-I436 PolarHBondContact O-N 3.04Å; Q434-V437 PolarHBondContact O-N 2.68Å; Q434-D438 WeakPolarHBondContact O-CB 3.47Å; Q434-D438 PolarHBondContact O-N 3.17Å; Q434-D491 HydrophobicContact CG-CB 4.44Å; Q434-D491 WeakPolarHBondContact CG-OD2 3.3Å; Q434-D491 PolarHBondContact NE2-OD2 3.29Å |
| 435 | R | 97.7 | Very high | 95.9 | Very high | 60 Ų | 60 | 39.8 Ų | 39.8 | 23% | 0.226 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.6 | -39.6 | 177.5 | -72.7 | 173.6 | 178.8 | -98.8 | 8.6 | 113 | D376 F379 C430 Q431 L432 I433 A439 | D376-R435 IonicContact OD1-CZ 3.85Å; D376-R435 IonicContact OD1-NH1 2.92Å; D376-R435 PolarHBondContact OD1-NH1 3.1Å; D376-R435 IonicContact OD1-NH2 2.68Å; D376-R435 PolarHBondContact OD1-NH2 2.88Å; D376-R435 IonicContact OD2-NH2 2.75Å; F379-R435 HydrophobicContact CE2-CB 3.81Å; F379-R435 HydrophobicContact CE2-CG 4.32Å; F379-R435 HydrophobicContact CZ-CB 3.98Å; C430-R435 VanDerWaalsContact O-CD 3.23Å; C430-R435 WeakPolarHBondContact O-CD 3.38Å; C430-R435 PolarHBondContact O-NE 3.14Å; Q431-R435 WeakPolarHBondContact O-CB 3.43Å; Q431-R435 VanDerWaalsContact O-CG 3.32Å; Q431-R435 WeakPolarHBondContact O-CG 3.4Å; Q431-R435 PolarHBondContact O-N 3.39Å; L432-R435 PolarHBondContact O-N 3.45Å; I433-R435 PolarHBondContact O-N 3.26Å; R435-A439 WeakPolarHBondContact O-CB 3.46Å; R435-A439 PolarHBondContact O-N 3.08Å |
| 436 | I | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.6 | -50.1 | 176.5 | -69.9 | 162 | 0 | 0 | 0 | 110.7 | L432 I433 Q434 A439 W440 L460 I463 A464 I467 W495 F498 | L432-I436 HydrophobicContact CD1-CD1 3.95Å; L432-I436 HydrophobicContact CD1-CG1 4.18Å; L432-I436 HydrophobicContact CG-CD1 3.85Å; L432-I436 WeakPolarHBondContact O-CD1 3.32Å; L432-I436 VanDerWaalsContact O-CG1 3.26Å; L432-I436 WeakPolarHBondContact O-CG1 3.47Å; L432-I436 PolarHBondContact O-N 2.92Å; I433-I436 PolarHBondContact O-N 3.35Å; Q434-I436 VanDerWaalsContact C-N 3.31Å; Q434-I436 PolarHBondContact O-N 3.04Å; I436-A439 PolarHBondContact O-N 2.97Å; I436-W440 WeakPolarHBondContact O-CB 3.28Å; I436-W440 PolarHBondContact O-N 3.13Å; I436-L460 HydrophobicContact CB-CD1 4.38Å; I436-L460 HydrophobicContact CG1-CD1 3.91Å; I436-L460 HydrophobicContact CG2-CD1 4.34Å; I436-L460 HydrophobicContact CG2-CD2 4.48Å; I436-L460 HydrophobicContact CG2-CG 4.23Å; I436-I463 HydrophobicContact CD1-CG2 3.89Å; I436-A464 HydrophobicContact CG2-CB 4.31Å; I436-I467 HydrophobicContact CD1-CD1 3.49Å; I436-I467 VanDerWaalsContact CD1-CD1 3.49Å; I436-W495 HydrophobicContact CB-CZ3 4.45Å; I436-W495 HydrophobicContact CG2-CZ3 4.01Å; I436-F498 HydrophobicContact CG2-CE1 3.98Å; I436-F498 HydrophobicContact CG2-CZ 4.22Å |
| 437 | V | 97.1 | Very high | 95.7 | Very high | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | -178 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | I433 Q434 W440 R441 N494 W495 F498 | I433-V437 WeakPolarHBondContact O-CG2 3.32Å; I433-V437 PolarHBondContact O-N 2.91Å; I433-V437 VanDerWaalsContact O-N 3.1Å; Q434-V437 PolarHBondContact O-N 2.68Å; V437-W440 PolarHBondContact O-N 3.21Å; V437-R441 HydrophobicContact CG1-CG 4.42Å; V437-R441 WeakPolarHBondContact O-CB 3.37Å; V437-R441 VanDerWaalsContact O-CG 3.28Å; V437-R441 WeakPolarHBondContact O-CG 3.48Å; V437-R441 PolarHBondContact O-N 2.96Å; V437-N494 HydrophobicContact CG1-CB 4.28Å; V437-W495 HydrophobicContact CG2-CE3 3.92Å; V437-F498 HydrophobicContact CG2-CB 4.32Å; V437-F498 HydrophobicContact CG2-CD1 4.46Å; V437-F498 HydrophobicContact CG2-CG 4.41Å |
| 438 | D | 96.6 | Very high | 95.6 | Very high | 94 Ų | 94 | 50 Ų | 50 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.4 | -38.4 | 179.5 | -73.3 | -21.6 | 0 | 0 | 0 | 112.4 | Q434 W440 R441 S442 | Q434-D438 WeakPolarHBondContact O-CB 3.47Å; Q434-D438 PolarHBondContact O-N 3.17Å; D438-W440 VanDerWaalsContact C-N 3.29Å; D438-W440 PolarHBondContact O-N 3.45Å; D438-R441 PolarHBondContact O-N 2.85Å; D438-S442 WeakPolarHBondContact O-CB 3.41Å; D438-S442 PolarHBondContact O-N 3.49Å |
| 439 | A | 96.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 51.9 Ų | 51.9 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | F379 R435 I436 N443 Y456 L460 | F379-A439 HydrophobicContact CD1-CB 3.8Å; F379-A439 HydrophobicContact CE1-CB 3.37Å; F379-A439 HydrophobicContact CZ-CB 4.28Å; R435-A439 WeakPolarHBondContact O-CB 3.46Å; R435-A439 PolarHBondContact O-N 3.08Å; I436-A439 PolarHBondContact O-N 2.97Å; A439-N443 VanDerWaalsContact O-CB 3.27Å; A439-N443 WeakPolarHBondContact O-CB 3.23Å; A439-N443 PolarHBondContact O-N 3.06Å; A439-N443 VanDerWaalsContact O-N 3.13Å; A439-Y456 HydrophobicContact CB-CE2 4.09Å; A439-L460 HydrophobicContact CB-CD2 4.06Å |
| 440 | W | 95.8 | Very high | 95.6 | Very high | 12 Ų | 12 | 52.5 Ų | 52.5 | 5% | 0.045 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69 | -52.1 | 175.7 | -164.8 | -74.9 | 0 | 0 | 0 | 111.7 | I436 V437 D438 S442 N443 E444 M457 L460 F498 Q502 T506 | I436-W440 WeakPolarHBondContact O-CB 3.28Å; I436-W440 PolarHBondContact O-N 3.13Å; V437-W440 PolarHBondContact O-N 3.21Å; D438-W440 VanDerWaalsContact C-N 3.29Å; D438-W440 PolarHBondContact O-N 3.45Å; W440-S442 VanDerWaalsContact C-N 3.3Å; W440-S442 PolarHBondContact O-N 2.92Å; W440-N443 CarbonylContact O-C 3.47Å; W440-N443 PolarHBondContact O-N 3.45Å; W440-N443 VanDerWaalsContact O-N 3.08Å; W440-E444 PolarHBondContact NE1-OE1 3.25Å; W440-E444 PolarHBondContact O-N 2.72Å; W440-M457 HydrophobicContact CB-CE 4.43Å; W440-M457 HydrophobicContact CD2-CE 3.58Å; W440-M457 HydrophobicContact CE3-CE 3.32Å; W440-M457 HydrophobicContact CG-CE 4.11Å; W440-M457 HydrophobicContact CH2-CE 4.47Å; W440-M457 HydrophobicContact CZ3-CE 3.82Å; W440-L460 HydrophobicContact CE3-CD2 4.14Å; W440-F498 HydrophobicContact CB-CE2 4.31Å; W440-F498 HydrophobicContact CD2-CD2 4.38Å; W440-F498 AromaticContact CD2-CE2 3.47Å; W440-F498 HydrophobicContact CD2-CE2 3.47Å; W440-F498 VanDerWaalsContact CD2-CE2 3.47Å; W440-F498 HydrophobicContact CD2-CZ 4.19Å; W440-F498 AromaticContact CE2-CE2 3.89Å; W440-F498 AromaticContact CE3-CE2 3.53Å; W440-F498 HydrophobicContact CE3-CE2 3.53Å; W440-F498 AromaticContact CE3-CZ 3.77Å; W440-F498 HydrophobicContact CE3-CZ 3.77Å; W440-F498 HydrophobicContact CG-CD2 4.33Å; W440-F498 AromaticContact CG-CE2 3.8Å; W440-F498 HydrophobicContact CG-CE2 3.8Å; W440-F498 HydrophobicContact CH2-CE2 4.39Å; W440-F498 HydrophobicContact CZ2-CE2 4.34Å; W440-F498 HydrophobicContact CZ3-CE2 4.02Å; W440-F498 HydrophobicContact CZ3-CZ 4.08Å; W440-Q502 HydrophobicContact CZ2-CB 4.27Å; W440-T506 HydrophobicContact CH2-CG2 4.09Å; W440-T506 WeakPolarHBondContact CZ2-OG1 3.47Å |
| 441 | R | 95.7 | Very high | 95.2 | Very high | 104 Ų | 104 | 54.2 Ų | 54.2 | 39% | 0.392 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.1 | -44.6 | 175.7 | -74.6 | 170.5 | 168.5 | 177.4 | -9.1 | 112.4 | V437 D438 E444 K445 N494 | V437-R441 HydrophobicContact CG1-CG 4.42Å; V437-R441 WeakPolarHBondContact O-CB 3.37Å; V437-R441 VanDerWaalsContact O-CG 3.28Å; V437-R441 WeakPolarHBondContact O-CG 3.48Å; V437-R441 PolarHBondContact O-N 2.96Å; D438-R441 PolarHBondContact O-N 2.85Å; R441-E444 PolarHBondContact O-N 3.17Å; R441-K445 WeakPolarHBondContact O-CB 3.26Å; R441-K445 PolarHBondContact O-N 3.16Å; R441-N494 PolarHBondContact NH1-ND2 3.1Å; R441-N494 PolarHBondContact NH2-OD1 2.7Å |
| 442 | S | 95.3 | Very high | 94.8 | Very high | 50 Ų | 50 | 57.3 Ų | 57.3 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 177.7 | -169.3 | 0 | 0 | 0 | 0 | 111.9 | D438 W440 E446 R454 | D438-S442 WeakPolarHBondContact O-CB 3.41Å; D438-S442 PolarHBondContact O-N 3.49Å; W440-S442 VanDerWaalsContact C-N 3.3Å; W440-S442 PolarHBondContact O-N 2.92Å; S442-E446 VanDerWaalsContact O-CB 3.27Å; S442-E446 WeakPolarHBondContact O-CB 3.32Å; S442-E446 PolarHBondContact O-N 2.95Å; S442-R454 PolarHBondContact OG-NH1 3.15Å; S442-R454 PolarHBondContact OG-NH2 3.41Å |
| 443 | N | 94.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.2 | -34.4 | 176.9 | 167.4 | 87 | 0 | 0 | 0 | 113.5 | A439 W440 Q447 R453 R454 M457 | A439-N443 VanDerWaalsContact O-CB 3.27Å; A439-N443 WeakPolarHBondContact O-CB 3.23Å; A439-N443 PolarHBondContact O-N 3.06Å; A439-N443 VanDerWaalsContact O-N 3.13Å; W440-N443 CarbonylContact O-C 3.47Å; W440-N443 PolarHBondContact O-N 3.45Å; W440-N443 VanDerWaalsContact O-N 3.08Å; N443-Q447 PolarHBondContact ND2-NE2 3.22Å; N443-Q447 WeakPolarHBondContact O-CG 3.49Å; N443-Q447 PolarHBondContact O-N 3.34Å; N443-Q447 VanDerWaalsContact O-N 3.15Å; N443-Q447 PolarHBondContact O-NE2 2.84Å; N443-R453 WeakPolarHBondContact OD1-CA 3.47Å; N443-R454 HydrophobicContact CB-CG 4.49Å; N443-R454 PolarHBondContact OD1-N 3.33Å; N443-M457 HydrophobicContact CB-CE 4.27Å; N443-M457 HydrophobicContact CB-CG 4.34Å; N443-M457 HydrophobicContact CB-SD 3.71Å; N443-M457 VanDerWaalsContact CG-SD 3.57Å; N443-M457 WeakPolarHBondContact OD1-CG 3.46Å |
| 444 | E | 94.1 | Very high | 94.4 | Very high | 68 Ų | 68 | 64.7 Ų | 64.7 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.6 | -45.6 | 172.5 | -74.6 | -177.8 | 152.6 | 0 | 0 | 111.7 | W440 R441 E446 Q447 S448 Q502 | W440-E444 PolarHBondContact NE1-OE1 3.25Å; W440-E444 PolarHBondContact O-N 2.72Å; R441-E444 PolarHBondContact O-N 3.17Å; E444-E446 PolarHBondContact O-N 3.28Å; E444-Q447 PolarHBondContact O-N 3.46Å; E444-S448 PolarHBondContact O-N 2.8Å; E444-Q502 VanDerWaalsContact CD-NE2 3.27Å; E444-Q502 VanDerWaalsContact OE1-CD 3.32Å; E444-Q502 PolarHBondContact OE1-NE2 3.01Å; E444-Q502 VanDerWaalsContact OE1-NE2 3.1Å; E444-Q502 PolarHBondContact OE2-NE2 2.7Å |
| 445 | K | 94.6 | Very high | 94.2 | Very high | 120 Ų | 120 | 64.5 Ų | 64.5 | 52% | 0.522 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.8 | -51.7 | 173.8 | -179.1 | -177.3 | 169.9 | -176.5 | 0 | 110.8 | R441 Q447 S448 E449 | R441-K445 WeakPolarHBondContact O-CB 3.26Å; R441-K445 PolarHBondContact O-N 3.16Å; K445-Q447 VanDerWaalsContact C-N 3.32Å; K445-Q447 PolarHBondContact O-N 3.29Å; K445-S448 PolarHBondContact O-N 3.5Å; K445-S448 PolarHBondContact O-OG 3.39Å; K445-E449 WeakPolarHBondContact CE-OE1 3.23Å; K445-E449 WeakPolarHBondContact CE-OE2 3.46Å; K445-E449 HydrophobicContact CG-CG 4.5Å; K445-E449 IonicContact NZ-OE1 2.97Å; K445-E449 WeakPolarHBondContact O-CG 3.33Å; K445-E449 PolarHBondContact O-N 3.05Å |
| 446 | E | 93.3 | Very high | 94.2 | Very high | 65 Ų | 65 | 61.7 Ų | 61.7 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.9 | -43.3 | -179.7 | -175.3 | 172.2 | 173.3 | 0 | 0 | 112 | S442 E444 E449 G451 R454 | S442-E446 VanDerWaalsContact O-CB 3.27Å; S442-E446 WeakPolarHBondContact O-CB 3.32Å; S442-E446 PolarHBondContact O-N 2.95Å; E444-E446 PolarHBondContact O-N 3.28Å; E446-E449 PolarHBondContact O-N 3.29Å; E446-G451 WeakPolarHBondContact O-CA 3.47Å; E446-G451 PolarHBondContact O-N 2.83Å; E446-R454 IonicContact OE2-CZ 2.7Å; E446-R454 IonicContact OE2-NE 3.96Å; E446-R454 PolarHBondContact OE2-NE 2.97Å; E446-R454 IonicContact OE2-NH2 3.74Å; E446-R454 PolarHBondContact OE2-NH2 3.31Å |
| 447 | Q | 92.9 | Very high | 94.1 | Very high | 79 Ų | 79 | 61.8 Ų | 61.8 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 173.3 | -72.7 | 169.1 | 105.2 | 0 | 0 | 113 | N443 E444 K445 E449 G450 R453 | N443-Q447 PolarHBondContact ND2-NE2 3.22Å; N443-Q447 WeakPolarHBondContact O-CG 3.49Å; N443-Q447 PolarHBondContact O-N 3.34Å; N443-Q447 VanDerWaalsContact O-N 3.15Å; N443-Q447 PolarHBondContact O-NE2 2.84Å; E444-Q447 PolarHBondContact O-N 3.46Å; K445-Q447 VanDerWaalsContact C-N 3.32Å; K445-Q447 PolarHBondContact O-N 3.29Å; Q447-E449 PolarHBondContact O-N 3.14Å; Q447-G450 PolarHBondContact O-N 2.97Å; Q447-R453 HydrophobicContact CG-CB 4.3Å |
| 448 | S | 93.8 | Very high | 94 | Very high | 98 Ų | 98 | 62.8 Ų | 62.8 | 69% | 0.685 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.9 | -26.4 | 177.7 | 77.4 | 0 | 0 | 0 | 0 | 113.3 | E444 K445 G450 | E444-S448 PolarHBondContact O-N 2.8Å; K445-S448 PolarHBondContact O-N 3.5Å; K445-S448 PolarHBondContact O-OG 3.39Å; S448-G450 PolarHBondContact O-N 2.92Å |
| 449 | E | 95.3 | Very high | 94 | Very high | 136 Ų | 136 | 59.1 Ų | 59.1 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 6.1 | 174.3 | -67.6 | 176.3 | 156 | 0 | 0 | 112.5 | K445 E446 Q447 | K445-E449 WeakPolarHBondContact CE-OE1 3.23Å; K445-E449 WeakPolarHBondContact CE-OE2 3.46Å; K445-E449 HydrophobicContact CG-CG 4.5Å; K445-E449 IonicContact NZ-OE1 2.97Å; K445-E449 WeakPolarHBondContact O-CG 3.33Å; K445-E449 PolarHBondContact O-N 3.05Å; E446-E449 PolarHBondContact O-N 3.29Å; Q447-E449 PolarHBondContact O-N 3.14Å |
| 450 | G | 90.6 | Very high | 94 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 72% | 0.722 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | 6.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q447 S448 | Q447-G450 PolarHBondContact O-N 2.97Å; S448-G450 PolarHBondContact O-N 2.92Å |
| 451 | G | 88.3 | Confident | 94 | Very high | 36 Ų | 36 | 58.5 Ų | 58.5 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | trans | -72 | -179.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E446 | E446-G451 WeakPolarHBondContact O-CA 3.47Å; E446-G451 PolarHBondContact O-N 2.83Å | ||
| 452 | R | 88.4 | Confident | 94.1 | Very high | 166 Ų | 166 | 59.7 Ų | 59.7 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | trans | -107.4 | 146.6 | -174.6 | -64.1 | 179 | -180 | 169.6 | -2.4 | 110.9 | W332 R454 | W332-R452 VanDerWaalsContact CH2-CD 3.48Å; W332-R452 VanDerWaalsContact CH2-NH1 3.28Å; W332-R452 HydrophobicContact CZ3-CB 4.4Å; R452-R454 PolarHBondContact O-N 3.02Å | ||
| 453 | R | 92.7 | Very high | 94.2 | Very high | 118 Ų | 118 | 57.5 Ų | 57.5 | 45% | 0.445 | 30% | 0.3 | S | S | . | . | trans | -57.7 | 132.4 | 173.3 | -173.8 | 176.5 | 175.8 | -92.7 | 7.7 | 110.6 | W383 N443 Q447 M457 | W383-R453 VanDerWaalsContact CH2-O 3.26Å; W383-R453 WeakPolarHBondContact CH2-O 3.22Å; N443-R453 WeakPolarHBondContact OD1-CA 3.47Å; Q447-R453 HydrophobicContact CG-CB 4.3Å; R453-M457 HydrophobicContact CG-CB 4.34Å; R453-M457 HydrophobicContact CG-CG 4.21Å; R453-M457 VanDerWaalsContact CZ-CB 3.44Å | ||
| 454 | R | 93.4 | Very high | 94.3 | Very high | 40 Ų | 40 | 57.3 Ų | 57.3 | 15% | 0.151 | 30% | 0.299 | C | S | . | . | trans | -69.2 | 144.3 | -179.9 | -67.7 | -177.6 | -172.9 | 168.8 | 8.3 | 112.4 | I382 S442 N443 E446 R452 Y456 M457 | I382-R454 HydrophobicContact CG2-CB 3.81Å; I382-R454 HydrophobicContact CG2-CG 3.95Å; S442-R454 PolarHBondContact OG-NH1 3.15Å; S442-R454 PolarHBondContact OG-NH2 3.41Å; N443-R454 HydrophobicContact CB-CG 4.49Å; N443-R454 PolarHBondContact OD1-N 3.33Å; E446-R454 IonicContact OE2-CZ 2.7Å; E446-R454 IonicContact OE2-NE 3.96Å; E446-R454 PolarHBondContact OE2-NE 2.97Å; E446-R454 IonicContact OE2-NH2 3.74Å; E446-R454 PolarHBondContact OE2-NH2 3.31Å; R452-R454 PolarHBondContact O-N 3.02Å; R454-Y456 HydrophobicContact CB-CD1 4.43Å; R454-Y456 HydrophobicContact CB-CE1 4.12Å; R454-Y456 WeakPolarHBondContact CD-OH 3.35Å; R454-Y456 PolarHBondContact NH1-OH 3.08Å; R454-Y456 PolarHBondContact O-N 2.91Å; R454-M457 HydrophobicContact CB-CG 3.95Å; R454-M457 WeakPolarHBondContact O-CB 3.28Å; R454-M457 VanDerWaalsContact O-CG 3.24Å; R454-M457 WeakPolarHBondContact O-CG 3.4Å; R454-M457 PolarHBondContact O-N 3.01Å | ||
| 455 | G | 93.6 | Very high | 94.4 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -49.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I382 M457 | I382-G455 WeakPolarHBondContact O-CA 3.48Å; I382-G455 PolarHBondContact O-N 2.97Å; G455-M457 PolarHBondContact O-N 3.49Å |
| 456 | Y | 96.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -15.1 | -178.1 | 64 | -113.9 | 0 | 0 | 0 | 115.3 | Y378 F379 I382 A439 R454 G458 H459 L460 | Y378-Y456 AromaticContact CE1-CD2 3.89Å; Y378-Y456 HydrophobicContact CE1-CD2 3.89Å; Y378-Y456 AromaticContact CE1-CG 3.89Å; Y378-Y456 HydrophobicContact CE1-CG 3.89Å; Y378-Y456 PolarHBondContact OH-O 2.7Å; F379-Y456 HydrophobicContact CD1-CE1 4.16Å; F379-Y456 HydrophobicContact CD1-CE2 4.17Å; F379-Y456 AromaticContact CD1-CZ 3.88Å; F379-Y456 HydrophobicContact CE1-CE2 4.25Å; I382-Y456 HydrophobicContact CG1-CE1 4.34Å; I382-Y456 HydrophobicContact CG2-CD1 4.4Å; I382-Y456 HydrophobicContact CG2-CE1 4.46Å; I382-Y456 PolarHBondContact O-N 2.95Å; A439-Y456 HydrophobicContact CB-CE2 4.09Å; R454-Y456 HydrophobicContact CB-CD1 4.43Å; R454-Y456 HydrophobicContact CB-CE1 4.12Å; R454-Y456 WeakPolarHBondContact CD-OH 3.35Å; R454-Y456 PolarHBondContact NH1-OH 3.08Å; R454-Y456 PolarHBondContact O-N 2.91Å; Y456-G458 PolarHBondContact O-N 2.8Å; Y456-H459 WeakPolarHBondContact O-CA 3.45Å; Y456-H459 WeakPolarHBondContact O-CB 3.45Å; Y456-H459 PolarHBondContact O-N 3.3Å; Y456-L460 HydrophobicContact CD2-CB 4.27Å; Y456-L460 HydrophobicContact CD2-CD2 4.47Å; Y456-L460 HydrophobicContact CE2-CD2 4.16Å; Y456-L460 PolarHBondContact O-N 2.99Å |
| 457 | M | 95.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.8 | -25.5 | -169.5 | -69.7 | -62 | -56.2 | 0 | 0 | 114.4 | W440 N443 R453 R454 G455 L460 T461 | W440-M457 HydrophobicContact CB-CE 4.43Å; W440-M457 HydrophobicContact CD2-CE 3.58Å; W440-M457 HydrophobicContact CE3-CE 3.32Å; W440-M457 HydrophobicContact CG-CE 4.11Å; W440-M457 HydrophobicContact CH2-CE 4.47Å; W440-M457 HydrophobicContact CZ3-CE 3.82Å; N443-M457 HydrophobicContact CB-CE 4.27Å; N443-M457 HydrophobicContact CB-CG 4.34Å; N443-M457 HydrophobicContact CB-SD 3.71Å; N443-M457 VanDerWaalsContact CG-SD 3.57Å; N443-M457 WeakPolarHBondContact OD1-CG 3.46Å; R453-M457 HydrophobicContact CG-CB 4.34Å; R453-M457 HydrophobicContact CG-CG 4.21Å; R453-M457 VanDerWaalsContact CZ-CB 3.44Å; R454-M457 HydrophobicContact CB-CG 3.95Å; R454-M457 WeakPolarHBondContact O-CB 3.28Å; R454-M457 VanDerWaalsContact O-CG 3.24Å; R454-M457 WeakPolarHBondContact O-CG 3.4Å; R454-M457 PolarHBondContact O-N 3.01Å; G455-M457 PolarHBondContact O-N 3.49Å; M457-L460 HydrophobicContact CE-CD2 3.89Å; M457-L460 PolarHBondContact O-N 3.2Å; M457-L460 HydrophobicContact SD-CD2 3.78Å; M457-T461 PolarHBondContact O-N 3.38Å; M457-T461 VanDerWaalsContact O-N 3.13Å; M457-T461 PolarHBondContact O-OG1 3.4Å |
| 458 | G | 95.3 | Very high | 94.8 | Very high | 28 Ų | 28 | 46.8 Ų | 46.8 | 29% | 0.289 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.7 | -45.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y456 L460 T461 R462 | Y456-G458 PolarHBondContact O-N 2.8Å; G458-L460 VanDerWaalsContact C-N 3.28Å; G458-L460 PolarHBondContact O-N 3.48Å; G458-T461 PolarHBondContact O-N 3.3Å; G458-R462 PolarHBondContact O-N 3.43Å |
| 459 | H | 97.2 | Very high | 94.8 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -36 | 172.8 | -62.3 | -84.6 | 0 | 0 | 0 | 111.3 | Y378 H388 I389 E392 Y456 R462 I463 | Y378-H459 HydrophobicContact CE2-CB 4.22Å; H388-H459 HydrophobicContact CB-CB 4.04Å; H388-H459 VanDerWaalsContact CB-CD2 3.45Å; H388-H459 WeakPolarHBondContact CB-CD2 3.18Å; I389-H459 VanDerWaalsContact CG1-CE1 3.49Å; I389-H459 WeakPolarHBondContact CG1-CE1 3.34Å; E392-H459 IonicContact OE2-CE1 2.79Å; E392-H459 IonicContact OE2-CG 2.76Å; E392-H459 IonicContact OE2-ND1 3.69Å; E392-H459 PolarHBondContact OE2-ND1 3.38Å; Y456-H459 WeakPolarHBondContact O-CA 3.45Å; Y456-H459 WeakPolarHBondContact O-CB 3.45Å; Y456-H459 PolarHBondContact O-N 3.3Å; H459-R462 PolarHBondContact CE1-NH2 2.85Å; H459-R462 PolarHBondContact ND1-NH2 2.94Å; H459-R462 VanDerWaalsContact ND1-NH2 3.17Å; H459-R462 PolarHBondContact O-N 3.39Å; H459-I463 WeakPolarHBondContact O-CB 3.32Å; H459-I463 WeakPolarHBondContact O-CG1 3.34Å; H459-I463 PolarHBondContact O-N 3.27Å |
| 460 | L | 97.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 178 | -161.8 | 73.8 | 0 | 0 | 0 | 111.9 | Y378 F379 I436 A439 W440 Y456 M457 G458 I463 A464 | Y378-L460 HydrophobicContact CE1-CD1 4.12Å; Y378-L460 WeakPolarHBondContact OH-CA 3.29Å; Y378-L460 PolarHBondContact OH-N 3.47Å; Y378-L460 VanDerWaalsContact OH-N 3.11Å; F379-L460 HydrophobicContact CE1-CD1 4.01Å; F379-L460 HydrophobicContact CZ-CD1 4.23Å; I436-L460 HydrophobicContact CB-CD1 4.38Å; I436-L460 HydrophobicContact CG1-CD1 3.91Å; I436-L460 HydrophobicContact CG2-CD1 4.34Å; I436-L460 HydrophobicContact CG2-CD2 4.48Å; I436-L460 HydrophobicContact CG2-CG 4.23Å; A439-L460 HydrophobicContact CB-CD2 4.06Å; W440-L460 HydrophobicContact CE3-CD2 4.14Å; Y456-L460 HydrophobicContact CD2-CB 4.27Å; Y456-L460 HydrophobicContact CD2-CD2 4.47Å; Y456-L460 HydrophobicContact CE2-CD2 4.16Å; Y456-L460 PolarHBondContact O-N 2.99Å; M457-L460 HydrophobicContact CE-CD2 3.89Å; M457-L460 PolarHBondContact O-N 3.2Å; M457-L460 HydrophobicContact SD-CD2 3.78Å; G458-L460 VanDerWaalsContact C-N 3.28Å; G458-L460 PolarHBondContact O-N 3.48Å; L460-I463 PolarHBondContact O-N 3.27Å; L460-A464 WeakPolarHBondContact O-CB 3.46Å; L460-A464 PolarHBondContact O-N 3.37Å |
| 461 | T | 96.1 | Very high | 94.9 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 171.7 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | M457 G458 A464 N465 L503 T506 | M457-T461 PolarHBondContact O-N 3.38Å; M457-T461 VanDerWaalsContact O-N 3.13Å; M457-T461 PolarHBondContact O-OG1 3.4Å; G458-T461 PolarHBondContact O-N 3.3Å; T461-A464 PolarHBondContact O-N 3.07Å; T461-N465 WeakPolarHBondContact O-CB 3.5Å; T461-N465 VanDerWaalsContact O-CG 3.26Å; T461-N465 PolarHBondContact O-N 3.32Å; T461-N465 PolarHBondContact O-ND2 3.34Å; T461-L503 HydrophobicContact CG2-CD1 4.03Å; T461-T506 HydrophobicContact CG2-CG2 4.33Å |
| 462 | R | 96.6 | Very high | 95.1 | Very high | 128 Ų | 128 | 42.3 Ų | 42.3 | 48% | 0.483 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68 | -39.1 | 179.1 | -66.9 | -164 | -59 | -123.9 | -0.4 | 112.9 | E392 G458 H459 N465 S466 | E392-R462 VanDerWaalsContact OE1-CB 3.29Å; E392-R462 WeakPolarHBondContact OE1-CB 3.25Å; E392-R462 WeakPolarHBondContact OE1-CD 3.26Å; E392-R462 IonicContact OE1-CZ 3.43Å; E392-R462 IonicContact OE1-NE 3.9Å; E392-R462 PolarHBondContact OE1-NE 3.18Å; E392-R462 IonicContact OE1-NH2 3.94Å; E392-R462 IonicContact OE2-CZ 3.54Å; E392-R462 IonicContact OE2-NE 2.7Å; E392-R462 PolarHBondContact OE2-NE 3.07Å; E392-R462 IonicContact OE2-NH2 3.58Å; E392-R462 PolarHBondContact OE2-NH2 2.64Å; G458-R462 PolarHBondContact O-N 3.43Å; H459-R462 PolarHBondContact CE1-NH2 2.85Å; H459-R462 PolarHBondContact ND1-NH2 2.94Å; H459-R462 VanDerWaalsContact ND1-NH2 3.17Å; H459-R462 PolarHBondContact O-N 3.39Å; R462-N465 PolarHBondContact O-N 3.41Å; R462-S466 WeakPolarHBondContact O-CB 3.38Å; R462-S466 PolarHBondContact O-N 3.46Å |
| 463 | I | 97.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | 172.7 | -73.2 | 167.1 | 0 | 0 | 0 | 110.9 | Y378 E392 T395 I436 H459 L460 N465 S466 I467 | Y378-I463 HydrophobicContact CE2-CD1 4Å; E392-I463 HydrophobicContact CB-CD1 4.4Å; E392-I463 HydrophobicContact CB-CG1 4.27Å; E392-I463 HydrophobicContact CG-CG1 4.19Å; T395-I463 HydrophobicContact CG2-CG2 4.05Å; I436-I463 HydrophobicContact CD1-CG2 3.89Å; H459-I463 WeakPolarHBondContact O-CB 3.32Å; H459-I463 WeakPolarHBondContact O-CG1 3.34Å; H459-I463 PolarHBondContact O-N 3.27Å; L460-I463 PolarHBondContact O-N 3.27Å; I463-N465 PolarHBondContact O-N 3.39Å; I463-S466 WeakPolarHBondContact O-CB 3.47Å; I463-S466 PolarHBondContact O-N 2.91Å; I463-I467 HydrophobicContact CG2-CD1 4.31Å; I463-I467 WeakPolarHBondContact O-CG1 3.46Å; I463-I467 PolarHBondContact O-N 3.42Å |
| 464 | A | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I436 L460 T461 S466 I467 V468 W495 F498 L503 | I436-A464 HydrophobicContact CG2-CB 4.31Å; L460-A464 WeakPolarHBondContact O-CB 3.46Å; L460-A464 PolarHBondContact O-N 3.37Å; T461-A464 PolarHBondContact O-N 3.07Å; A464-S466 VanDerWaalsContact C-N 3.3Å; A464-S466 PolarHBondContact O-N 3.01Å; A464-I467 PolarHBondContact O-N 3.3Å; A464-V468 PolarHBondContact O-N 3.03Å; A464-V468 VanDerWaalsContact O-N 3.14Å; A464-W495 HydrophobicContact CB-CH2 4.28Å; A464-F498 HydrophobicContact CB-CE1 3.94Å; A464-F498 HydrophobicContact CB-CZ 4.24Å; A464-L503 HydrophobicContact CB-CD1 4Å; A464-L503 HydrophobicContact CB-CD2 3.94Å |
| 465 | N | 96.1 | Very high | 94.4 | Very high | 50 Ų | 50 | 39.6 Ų | 39.6 | 27% | 0.267 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.6 | -36 | 174.6 | -73 | -17.8 | 0 | 0 | 0 | 112.4 | T461 R462 I463 V468 H469 L503 N507 | T461-N465 WeakPolarHBondContact O-CB 3.5Å; T461-N465 VanDerWaalsContact O-CG 3.26Å; T461-N465 PolarHBondContact O-N 3.32Å; T461-N465 PolarHBondContact O-ND2 3.34Å; R462-N465 PolarHBondContact O-N 3.41Å; I463-N465 PolarHBondContact O-N 3.39Å; N465-V468 PolarHBondContact O-N 3.05Å; N465-H469 VanDerWaalsContact O-CB 3.29Å; N465-H469 WeakPolarHBondContact O-CB 3.38Å; N465-H469 PolarHBondContact O-N 3.01Å; N465-L503 WeakPolarHBondContact OD1-CD1 3.39Å; N465-N507 PolarHBondContact ND2-ND2 3.44Å; N465-N507 PolarHBondContact ND2-OD1 2.75Å; N465-N507 PolarHBondContact OD1-ND2 3.33Å; N465-N507 PolarHBondContact OD1-OD1 3.26Å |
| 466 | S | 96.6 | Very high | 94.2 | Very high | 28 Ų | 28 | 39 Ų | 39 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.3 | -37.6 | 176.1 | -168 | 0 | 0 | 0 | 0 | 112.1 | R462 I463 A464 N470 | R462-S466 WeakPolarHBondContact O-CB 3.38Å; R462-S466 PolarHBondContact O-N 3.46Å; I463-S466 WeakPolarHBondContact O-CB 3.47Å; I463-S466 PolarHBondContact O-N 2.91Å; A464-S466 VanDerWaalsContact C-N 3.3Å; A464-S466 PolarHBondContact O-N 3.01Å; S466-N470 WeakPolarHBondContact O-CB 3.28Å; S466-N470 PolarHBondContact O-N 3.24Å; S466-N470 PolarHBondContact O-ND2 3.44Å; S466-N470 PolarHBondContact OG-ND2 3.47Å |
| 467 | I | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -50.7 | 173.2 | -66.6 | 166.2 | 0 | 0 | 0 | 110.6 | L399 F427 L432 I433 I436 I463 A464 N470 S471 I484 W495 | L399-I467 HydrophobicContact CD1-CG1 3.81Å; L399-I467 HydrophobicContact CD2-CG1 4.44Å; F427-I467 HydrophobicContact CE1-CG2 4.31Å; F427-I467 HydrophobicContact CZ-CG2 3.98Å; L432-I467 HydrophobicContact CD2-CD1 3.86Å; L432-I467 HydrophobicContact CG-CD1 4.23Å; I433-I467 HydrophobicContact CD1-CD1 4.05Å; I433-I467 HydrophobicContact CD1-CG2 4.18Å; I436-I467 HydrophobicContact CD1-CD1 3.49Å; I436-I467 VanDerWaalsContact CD1-CD1 3.49Å; I463-I467 HydrophobicContact CG2-CD1 4.31Å; I463-I467 WeakPolarHBondContact O-CG1 3.46Å; I463-I467 PolarHBondContact O-N 3.42Å; A464-I467 PolarHBondContact O-N 3.3Å; I467-N470 PolarHBondContact O-N 2.79Å; I467-S471 PolarHBondContact O-N 3.45Å; I467-S471 PolarHBondContact O-OG 2.86Å; I467-I484 HydrophobicContact CG2-CD1 4.47Å; I467-W495 HydrophobicContact CB-CH2 4.47Å; I467-W495 HydrophobicContact CB-CZ2 4.28Å; I467-W495 HydrophobicContact CD1-CH2 4.28Å; I467-W495 HydrophobicContact CG2-CH2 4.34Å; I467-W495 HydrophobicContact CG2-CZ2 3.73Å |
| 468 | V | 95.7 | Very high | 93.7 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 19% | 0.194 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 179.7 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | A464 N465 N470 S471 D472 W495 I499 L503 | A464-V468 PolarHBondContact O-N 3.03Å; A464-V468 VanDerWaalsContact O-N 3.14Å; N465-V468 PolarHBondContact O-N 3.05Å; V468-N470 VanDerWaalsContact C-N 3.34Å; V468-N470 PolarHBondContact O-N 3.37Å; V468-S471 WeakPolarHBondContact CA-OG 3.5Å; V468-S471 PolarHBondContact O-N 3.01Å; V468-S471 PolarHBondContact O-OG 3.21Å; V468-D472 WeakPolarHBondContact O-CB 3.49Å; V468-D472 VanDerWaalsContact O-CG 3.26Å; V468-D472 PolarHBondContact O-N 3.41Å; V468-W495 HydrophobicContact CG2-CZ2 4.26Å; V468-I499 HydrophobicContact CG2-CD1 3.69Å; V468-I499 HydrophobicContact CG2-CG1 3.93Å; V468-I499 HydrophobicContact CG2-CG2 4.42Å; V468-L503 HydrophobicContact CG2-CD2 4.49Å |
| 469 | H | 94.3 | Very high | 93.6 | Very high | 114 Ų | 114 | 43.4 Ų | 43.4 | 53% | 0.528 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.3 | -174.7 | 97.1 | 0 | 0 | 0 | 111.7 | N465 D472 K473 G474 | N465-H469 VanDerWaalsContact O-CB 3.29Å; N465-H469 WeakPolarHBondContact O-CB 3.38Å; N465-H469 PolarHBondContact O-N 3.01Å; H469-D472 PolarHBondContact O-N 3.24Å; H469-K473 PolarHBondContact O-N 3.44Å; H469-G474 PolarHBondContact O-N 3.21Å |
| 470 | N | 93.1 | Very high | 93.5 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -77.8 | -25.8 | -178.8 | -76.9 | -80.4 | 0 | 0 | 0 | 113.6 | L399 S466 I467 V468 D472 G474 G477 I480 | L399-N470 HydrophobicContact CB-CB 3.91Å; S466-N470 WeakPolarHBondContact O-CB 3.28Å; S466-N470 PolarHBondContact O-N 3.24Å; S466-N470 PolarHBondContact O-ND2 3.44Å; S466-N470 PolarHBondContact OG-ND2 3.47Å; I467-N470 PolarHBondContact O-N 2.79Å; V468-N470 VanDerWaalsContact C-N 3.34Å; V468-N470 PolarHBondContact O-N 3.37Å; N470-D472 VanDerWaalsContact C-N 3.29Å; N470-G474 WeakPolarHBondContact O-CA 3.46Å; N470-G474 PolarHBondContact O-N 3.28Å; N470-G474 VanDerWaalsContact O-N 3.13Å; N470-G477 WeakPolarHBondContact O-CA 3.37Å; N470-I480 HydrophobicContact CB-CD1 3.84Å |
| 471 | S | 94.2 | Very high | 93.3 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 8% | 0.077 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -36.6 | 168.8 | 59.2 | 0 | 0 | 0 | 0 | 111.9 | I467 V468 G477 Q481 | I467-S471 PolarHBondContact O-N 3.45Å; I467-S471 PolarHBondContact O-OG 2.86Å; V468-S471 WeakPolarHBondContact CA-OG 3.5Å; V468-S471 PolarHBondContact O-N 3.01Å; V468-S471 PolarHBondContact O-OG 3.21Å; S471-G477 VanDerWaalsContact O-CA 3.32Å; S471-G477 WeakPolarHBondContact O-CA 3.44Å; S471-Q481 PolarHBondContact O-NE2 3.23Å |
| 472 | D | 91.8 | Very high | 93.1 | Very high | 108 Ų | 108 | 48.5 Ų | 48.5 | 58% | 0.578 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -95.9 | -33.1 | -168.6 | -65.5 | 13.3 | 0 | 0 | 0 | 112.9 | V468 H469 N470 | V468-D472 WeakPolarHBondContact O-CB 3.49Å; V468-D472 VanDerWaalsContact O-CG 3.26Å; V468-D472 PolarHBondContact O-N 3.41Å; H469-D472 PolarHBondContact O-N 3.24Å; N470-D472 VanDerWaalsContact C-N 3.29Å |
| 473 | K | 89.3 | Confident | 93 | Very high | 169 Ų | 169 | 42.7 Ų | 42.7 | 74% | 0.735 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -134.7 | -7.6 | -172.8 | -61 | -176.6 | -179.5 | -179.4 | 0 | 114.5 | H469 | H469-K473 PolarHBondContact O-N 3.44Å |
| 474 | G | 86.1 | Confident | 92.8 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 12% | 0.124 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -77.4 | 158.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | H469 N470 N476 G477 | H469-G474 PolarHBondContact O-N 3.21Å; N470-G474 WeakPolarHBondContact O-CA 3.46Å; N470-G474 PolarHBondContact O-N 3.28Å; N470-G474 VanDerWaalsContact O-N 3.13Å; G474-N476 PolarHBondContact O-N 3.31Å; G474-N476 VanDerWaalsContact O-N 3.16Å; G474-G477 PolarHBondContact O-N 3.28Å |
| 475 | P | 85.9 | Confident | 92.6 | Very high | 86 Ų | 86 | 47 Ų | 47 | 56% | 0.558 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.9 | -179.2 | 25.4 | -33 | 0 | 0 | 0 | 113.2 | A400 | A400-P475 WeakPolarHBondContact O-CG 3.43Š|
| 476 | N | 89 | Confident | 92.4 | Very high | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 9.2 | 176.6 | -56 | -69.4 | 0 | 0 | 0 | 113.6 | L399 M401 I423 G474 Q479 I480 | L399-N476 PolarHBondContact O-ND2 2.99Å; M401-N476 PolarHBondContact O-ND2 2.83Å; I423-N476 HydrophobicContact CD1-CB 3.32Å; G474-N476 PolarHBondContact O-N 3.31Å; G474-N476 VanDerWaalsContact O-N 3.16Å; N476-Q479 WeakPolarHBondContact O-CB 3.39Å; N476-Q479 PolarHBondContact O-N 3.33Å; N476-I480 HydrophobicContact CB-CD1 4.08Å; N476-I480 HydrophobicContact CB-CG1 4.38Å; N476-I480 PolarHBondContact O-N 3.02Å |
| 477 | G | 90.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -47.1 | -50 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N470 S471 G474 Q479 I480 Q481 | N470-G477 WeakPolarHBondContact O-CA 3.37Å; S471-G477 VanDerWaalsContact O-CA 3.32Å; S471-G477 WeakPolarHBondContact O-CA 3.44Å; G474-G477 PolarHBondContact O-N 3.28Å; G477-Q479 VanDerWaalsContact C-N 3.31Å; G477-Q479 PolarHBondContact O-N 3.35Å; G477-I480 PolarHBondContact O-N 3.46Å; G477-I480 VanDerWaalsContact O-N 3.16Å; G477-Q481 WeakPolarHBondContact O-CG 3.36Å; G477-Q481 PolarHBondContact O-N 3.23Å |
| 478 | P | 91.1 | Very high | 92.1 | Very high | 103 Ų | 103 | 54 Ų | 54 | 67% | 0.669 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.3 | -36.9 | 177.4 | -26.1 | 35.7 | 0 | 0 | 0 | 114.1 | G482 | P478-G482 PolarHBondContact O-N 3.04Å |
| 479 | Q | 92.7 | Very high | 91.9 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 9% | 0.093 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.6 | -42.2 | 176.6 | -168.4 | -166.9 | -7.6 | 0 | 0 | 110.8 | E419 S420 N476 G477 G482 L483 | E419-Q479 HydrophobicContact CB-CG 4.3Å; E419-Q479 HydrophobicContact CG-CG 4.05Å; S420-Q479 PolarHBondContact O-NE2 2.9Å; N476-Q479 WeakPolarHBondContact O-CB 3.39Å; N476-Q479 PolarHBondContact O-N 3.33Å; G477-Q479 VanDerWaalsContact C-N 3.31Å; G477-Q479 PolarHBondContact O-N 3.35Å; Q479-G482 PolarHBondContact O-N 3.3Å; Q479-L483 HydrophobicContact CG-CD1 4.02Å; Q479-L483 HydrophobicContact CG-CG 4.49Å; Q479-L483 WeakPolarHBondContact O-CB 3.44Å; Q479-L483 VanDerWaalsContact O-CG 3.28Å; Q479-L483 WeakPolarHBondContact O-CG 3.39Å; Q479-L483 PolarHBondContact O-N 3.1Å |
| 480 | I | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 177.8 | -64.1 | 164.2 | 0 | 0 | 0 | 110.3 | L399 I423 F427 N470 N476 G477 G482 L483 I484 | L399-I480 HydrophobicContact CD2-CD1 3.86Å; L399-I480 HydrophobicContact CD2-CG1 4.43Å; I423-I480 HydrophobicContact CD1-CG1 4.48Å; I423-I480 HydrophobicContact CG2-CG1 3.87Å; F427-I480 HydrophobicContact CE1-CG2 4.09Å; F427-I480 HydrophobicContact CZ-CG2 3.84Å; N470-I480 HydrophobicContact CB-CD1 3.84Å; N476-I480 HydrophobicContact CB-CD1 4.08Å; N476-I480 HydrophobicContact CB-CG1 4.38Å; N476-I480 PolarHBondContact O-N 3.02Å; G477-I480 PolarHBondContact O-N 3.46Å; G477-I480 VanDerWaalsContact O-N 3.16Å; I480-G482 VanDerWaalsContact C-N 3.34Å; I480-G482 PolarHBondContact O-N 2.91Å; I480-L483 PolarHBondContact O-N 3.25Å; I480-I484 HydrophobicContact CG2-CD1 3.8Å; I480-I484 VanDerWaalsContact O-CG1 3.29Å; I480-I484 WeakPolarHBondContact O-CG1 3.47Å; I480-I484 PolarHBondContact O-N 2.92Å |
| 481 | Q | 93.4 | Very high | 91.8 | Very high | 100 Ų | 100 | 59 Ų | 59 | 47% | 0.467 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 175 | -69.6 | 179.6 | 17.7 | 0 | 0 | 112.2 | S471 G477 S485 | S471-Q481 PolarHBondContact O-NE2 3.23Å; G477-Q481 WeakPolarHBondContact O-CG 3.36Å; G477-Q481 PolarHBondContact O-N 3.23Å; Q481-S485 WeakPolarHBondContact O-CB 3.44Å; Q481-S485 PolarHBondContact O-N 3.35Å; Q481-S485 PolarHBondContact O-OG 3.08Å |
| 482 | G | 93.3 | Very high | 91.8 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 32% | 0.32 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.8 | -52.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P478 Q479 I480 I484 S485 E486 | P478-G482 PolarHBondContact O-N 3.04Å; Q479-G482 PolarHBondContact O-N 3.3Å; I480-G482 VanDerWaalsContact C-N 3.34Å; I480-G482 PolarHBondContact O-N 2.91Å; G482-I484 VanDerWaalsContact C-N 3.34Å; G482-I484 PolarHBondContact O-N 3.29Å; G482-S485 WeakPolarHBondContact O-CA 3.38Å; G482-S485 WeakPolarHBondContact O-CB 3.38Å; G482-S485 PolarHBondContact O-N 3.32Å; G482-E486 WeakPolarHBondContact O-CG 3.4Å; G482-E486 PolarHBondContact O-N 2.93Å |
| 483 | L | 94.1 | Very high | 91.9 | Very high | 6 Ų | 6 | 61.7 Ų | 61.7 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -34.8 | 179.9 | -68.6 | 167.1 | 0 | 0 | 0 | 113.1 | I423 R424 F427 Q428 Q479 I480 | I423-L483 HydrophobicContact CG2-CD1 3.72Å; R424-L483 HydrophobicContact CB-CD1 4.44Å; R424-L483 HydrophobicContact CB-CD2 4.43Å; R424-L483 HydrophobicContact CG-CD2 3.97Å; F427-L483 HydrophobicContact CB-CB 4.34Å; F427-L483 HydrophobicContact CB-CD1 4.43Å; F427-L483 HydrophobicContact CD1-CB 4.38Å; F427-L483 HydrophobicContact CG-CB 4.46Å; Q428-L483 HydrophobicContact CG-CD2 4.18Å; Q479-L483 HydrophobicContact CG-CD1 4.02Å; Q479-L483 HydrophobicContact CG-CG 4.49Å; Q479-L483 WeakPolarHBondContact O-CB 3.44Å; Q479-L483 VanDerWaalsContact O-CG 3.28Å; Q479-L483 WeakPolarHBondContact O-CG 3.39Å; Q479-L483 PolarHBondContact O-N 3.1Å; I480-L483 PolarHBondContact O-N 3.25Å |
| 484 | I | 93.8 | Very high | 92.2 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 171.9 | -68.3 | 167.7 | 0 | 0 | 0 | 110.8 | F427 I467 I480 G482 L487 R492 | F427-I484 HydrophobicContact CD1-CG1 4.21Å; F427-I484 HydrophobicContact CE1-CD1 4.12Å; F427-I484 HydrophobicContact CE1-CG1 3.8Å; I467-I484 HydrophobicContact CG2-CD1 4.47Å; I480-I484 HydrophobicContact CG2-CD1 3.8Å; I480-I484 VanDerWaalsContact O-CG1 3.29Å; I480-I484 WeakPolarHBondContact O-CG1 3.47Å; I480-I484 PolarHBondContact O-N 2.92Å; G482-I484 VanDerWaalsContact C-N 3.34Å; G482-I484 PolarHBondContact O-N 3.29Å; I484-L487 WeakPolarHBondContact O-CB 3.29Å; I484-L487 WeakPolarHBondContact O-CG 3.26Å; I484-L487 PolarHBondContact O-N 3.14Å; I484-R492 HydrophobicContact CG2-CG 4.31Å; I484-R492 WeakPolarHBondContact O-CD 3.31Å |
| 485 | S | 92.4 | Very high | 92.7 | Very high | 74 Ų | 74 | 55 Ų | 55 | 52% | 0.517 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.9 | -35.1 | 177 | -59 | 0 | 0 | 0 | 0 | 112.6 | Q481 G482 L487 R492 | Q481-S485 WeakPolarHBondContact O-CB 3.44Å; Q481-S485 PolarHBondContact O-N 3.35Å; Q481-S485 PolarHBondContact O-OG 3.08Å; G482-S485 WeakPolarHBondContact O-CA 3.38Å; G482-S485 WeakPolarHBondContact O-CB 3.38Å; G482-S485 PolarHBondContact O-N 3.32Å; S485-L487 VanDerWaalsContact C-N 3.26Å; S485-L487 PolarHBondContact O-N 2.91Å; S485-R492 PolarHBondContact O-NH1 3.43Å |
| 486 | E | 93.1 | Very high | 93.2 | Very high | 133 Ų | 133 | 55.7 Ų | 55.7 | 62% | 0.621 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -14.4 | 175.8 | -74.5 | -180 | 177.1 | 0 | 0 | 114.5 | Q428 G482 | Q428-E486 PolarHBondContact NE2-OE2 3.46Å; G482-E486 WeakPolarHBondContact O-CG 3.4Å; G482-E486 PolarHBondContact O-N 2.93Å |
| 487 | L | 92.5 | Very high | 93.4 | Very high | 16 Ų | 16 | 58.4 Ų | 58.4 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -61 | 153.7 | 179.2 | -66.7 | 179.6 | 0 | 0 | 0 | 112.3 | I433 I484 S485 D491 R492 | I433-L487 HydrophobicContact CB-CD1 4.18Å; I433-L487 HydrophobicContact CG1-CD1 4.24Å; I433-L487 HydrophobicContact CG2-CD1 3.89Å; I484-L487 WeakPolarHBondContact O-CB 3.29Å; I484-L487 WeakPolarHBondContact O-CG 3.26Å; I484-L487 PolarHBondContact O-N 3.14Å; S485-L487 VanDerWaalsContact C-N 3.26Å; S485-L487 PolarHBondContact O-N 2.91Å; L487-D491 HydrophobicContact CB-CB 4.3Å; L487-R492 HydrophobicContact CB-CB 4.28Å |
| 488 | P | 93.6 | Very high | 93.7 | Very high | 76 Ų | 76 | 58.5 Ų | 58.5 | 49% | 0.494 | 32% | 0.323 | S | S | . | . | trans | -47.6 | 142.8 | 166.3 | -26.9 | 35.6 | 0 | 0 | 0 | 111.3 | E490 D491 R492 | P488-E490 PolarHBondContact O-N 3.22Å; P488-D491 HydrophobicContact CB-CB 4.26Å; P488-D491 WeakPolarHBondContact CD-OD2 3.4Å; P488-D491 WeakPolarHBondContact CG-OD2 3.43Å; P488-D491 PolarHBondContact O-N 2.71Å; P488-R492 PolarHBondContact O-N 3.07Å | ||
| 489 | T | 91.9 | Very high | 94 | Very high | 88 Ų | 88 | 55.8 Ų | 55.8 | 54% | 0.54 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.6 | -39.8 | -174.9 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | R492 E493 | T489-R492 PolarHBondContact O-N 3.38Å; T489-E493 VanDerWaalsContact O-CB 3.31Å; T489-E493 WeakPolarHBondContact O-CB 3.47Å; T489-E493 VanDerWaalsContact O-CG 3.23Å; T489-E493 WeakPolarHBondContact O-CG 3.1Å; T489-E493 PolarHBondContact O-N 3.42Å |
| 490 | E | 93 | Very high | 94 | Very high | 135 Ų | 135 | 59.4 Ų | 59.4 | 63% | 0.631 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.2 | -48.3 | 174.2 | -179.1 | 170.3 | -174.2 | 0 | 0 | 112.3 | P488 R492 E493 N494 | P488-E490 PolarHBondContact O-N 3.22Å; E490-R492 VanDerWaalsContact C-N 3.33Å; E490-R492 PolarHBondContact O-N 2.88Å; E490-E493 PolarHBondContact O-N 2.87Å; E490-N494 WeakPolarHBondContact O-CB 3.29Å; E490-N494 PolarHBondContact O-N 3.47Å; E490-N494 PolarHBondContact O-ND2 2.81Å |
| 491 | D | 92.6 | Very high | 94 | Very high | 40 Ų | 40 | 60.5 Ų | 60.5 | 21% | 0.214 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 178 | -71.8 | -17.9 | 0 | 0 | 0 | 112.2 | Q434 L487 P488 W495 | Q434-D491 HydrophobicContact CG-CB 4.44Å; Q434-D491 WeakPolarHBondContact CG-OD2 3.3Å; Q434-D491 PolarHBondContact NE2-OD2 3.29Å; L487-D491 HydrophobicContact CB-CB 4.3Å; P488-D491 HydrophobicContact CB-CB 4.26Å; P488-D491 WeakPolarHBondContact CD-OD2 3.4Å; P488-D491 WeakPolarHBondContact CG-OD2 3.43Å; P488-D491 PolarHBondContact O-N 2.71Å; D491-W495 WeakPolarHBondContact O-CB 3.14Å; D491-W495 PolarHBondContact O-N 2.89Å |
| 492 | R | 93.7 | Very high | 93.9 | Very high | 61 Ų | 61 | 58.9 Ų | 58.9 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.3 | -45.9 | 179.8 | -164.2 | -178.2 | 61.2 | -112.8 | -14.9 | 111.9 | I484 S485 L487 P488 T489 E490 N494 W495 E496 | I484-R492 HydrophobicContact CG2-CG 4.31Å; I484-R492 WeakPolarHBondContact O-CD 3.31Å; S485-R492 PolarHBondContact O-NH1 3.43Å; L487-R492 HydrophobicContact CB-CB 4.28Å; P488-R492 PolarHBondContact O-N 3.07Å; T489-R492 PolarHBondContact O-N 3.38Å; E490-R492 VanDerWaalsContact C-N 3.33Å; E490-R492 PolarHBondContact O-N 2.88Å; R492-N494 VanDerWaalsContact C-N 3.29Å; R492-N494 PolarHBondContact O-N 3.2Å; R492-W495 PolarHBondContact O-N 3.19Å; R492-W495 VanDerWaalsContact O-N 3.16Å; R492-E496 WeakPolarHBondContact CG-OE1 3.28Å; R492-E496 IonicContact NE-OE1 3.59Å; R492-E496 WeakPolarHBondContact O-CB 3.4Å; R492-E496 WeakPolarHBondContact O-CG 3.28Å; R492-E496 PolarHBondContact O-N 2.92Å |
| 493 | E | 94.4 | Very high | 93.9 | Very high | 115 Ų | 115 | 57.5 Ų | 57.5 | 54% | 0.537 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.2 | -39 | 174.1 | -73.1 | 166.7 | -147.7 | 0 | 0 | 111.3 | T489 E490 A497 | T489-E493 VanDerWaalsContact O-CB 3.31Å; T489-E493 WeakPolarHBondContact O-CB 3.47Å; T489-E493 VanDerWaalsContact O-CG 3.23Å; T489-E493 WeakPolarHBondContact O-CG 3.1Å; T489-E493 PolarHBondContact O-N 3.42Å; E490-E493 PolarHBondContact O-N 2.87Å; E493-A497 VanDerWaalsContact O-CB 3.27Å; E493-A497 WeakPolarHBondContact O-CB 3.24Å; E493-A497 PolarHBondContact O-N 3.42Å |
| 494 | N | 95.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 59.2 Ų | 59.2 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 173.5 | -73 | -28.4 | 0 | 0 | 0 | 112.3 | V437 R441 E490 R492 F498 | V437-N494 HydrophobicContact CG1-CB 4.28Å; R441-N494 PolarHBondContact NH1-ND2 3.1Å; R441-N494 PolarHBondContact NH2-OD1 2.7Å; E490-N494 WeakPolarHBondContact O-CB 3.29Å; E490-N494 PolarHBondContact O-N 3.47Å; E490-N494 PolarHBondContact O-ND2 2.81Å; R492-N494 VanDerWaalsContact C-N 3.29Å; R492-N494 PolarHBondContact O-N 3.2Å; N494-F498 VanDerWaalsContact O-CB 3.27Å; N494-F498 WeakPolarHBondContact O-CB 3.34Å; N494-F498 PolarHBondContact O-N 3.35Å |
| 495 | W | 96.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 62.9 Ų | 62.9 | 3% | 0.027 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71 | -44.3 | 177.9 | 178.2 | -115.3 | 0 | 0 | 0 | 112.6 | I433 I436 V437 A464 I467 V468 D491 R492 A497 F498 I499 | I433-W495 HydrophobicContact CD1-CD2 4.02Å; I433-W495 HydrophobicContact CD1-CE3 4.2Å; I433-W495 HydrophobicContact CD1-CH2 3.95Å; I433-W495 HydrophobicContact CD1-CZ2 3.74Å; I433-W495 HydrophobicContact CD1-CZ3 4.16Å; I433-W495 HydrophobicContact CG2-CB 3.85Å; I433-W495 HydrophobicContact CG2-CD2 3.71Å; I433-W495 HydrophobicContact CG2-CE3 3.79Å; I433-W495 HydrophobicContact CG2-CG 3.75Å; I436-W495 HydrophobicContact CB-CZ3 4.45Å; I436-W495 HydrophobicContact CG2-CZ3 4.01Å; V437-W495 HydrophobicContact CG2-CE3 3.92Å; A464-W495 HydrophobicContact CB-CH2 4.28Å; I467-W495 HydrophobicContact CB-CH2 4.47Å; I467-W495 HydrophobicContact CB-CZ2 4.28Å; I467-W495 HydrophobicContact CD1-CH2 4.28Å; I467-W495 HydrophobicContact CG2-CH2 4.34Å; I467-W495 HydrophobicContact CG2-CZ2 3.73Å; V468-W495 HydrophobicContact CG2-CZ2 4.26Å; D491-W495 WeakPolarHBondContact O-CB 3.14Å; D491-W495 PolarHBondContact O-N 2.89Å; R492-W495 PolarHBondContact O-N 3.19Å; R492-W495 VanDerWaalsContact O-N 3.16Å; W495-A497 PolarHBondContact O-N 3.5Å; W495-F498 AromaticContact CE3-CD1 3.64Å; W495-F498 HydrophobicContact CE3-CD1 3.64Å; W495-F498 HydrophobicContact CE3-CE1 4.22Å; W495-F498 HydrophobicContact CH2-CD1 4.43Å; W495-F498 HydrophobicContact CH2-CE1 4.29Å; W495-F498 AromaticContact CZ3-CD1 3.55Å; W495-F498 HydrophobicContact CZ3-CD1 3.55Å; W495-F498 AromaticContact CZ3-CE1 3.63Å; W495-F498 HydrophobicContact CZ3-CE1 3.63Å; W495-F498 PolarHBondContact O-N 3.01Å; W495-I499 HydrophobicContact CD2-CD1 4.03Å; W495-I499 HydrophobicContact CD2-CG1 4.35Å; W495-I499 VanDerWaalsContact CE2-CD1 3.45Å; W495-I499 HydrophobicContact CG-CD1 4.25Å; W495-I499 HydrophobicContact CZ2-CD1 3.81Å; W495-I499 HydrophobicContact CZ2-CG1 4.2Å; W495-I499 VanDerWaalsContact NE1-CD1 3.33Å; W495-I499 WeakPolarHBondContact O-CG1 3.48Å; W495-I499 PolarHBondContact O-N 3.41Å |
| 496 | E | 95.1 | Very high | 93.7 | Very high | 100 Ų | 100 | 59.7 Ų | 59.7 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 175.4 | -72.6 | 172.2 | -156.9 | 0 | 0 | 111.5 | R492 S500 | R492-E496 WeakPolarHBondContact CG-OE1 3.28Å; R492-E496 IonicContact NE-OE1 3.59Å; R492-E496 WeakPolarHBondContact O-CB 3.4Å; R492-E496 WeakPolarHBondContact O-CG 3.28Å; R492-E496 PolarHBondContact O-N 2.92Å; E496-S500 VanDerWaalsContact O-CB 3.27Å; E496-S500 WeakPolarHBondContact O-CB 3.45Å; E496-S500 PolarHBondContact O-N 3.43Å; E496-S500 PolarHBondContact O-OG 2.84Å |
| 497 | A | 95 | Very high | 93.6 | Very high | 65 Ų | 65 | 55.4 Ų | 55.4 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E493 W495 G501 | E493-A497 VanDerWaalsContact O-CB 3.27Å; E493-A497 WeakPolarHBondContact O-CB 3.24Å; E493-A497 PolarHBondContact O-N 3.42Å; W495-A497 PolarHBondContact O-N 3.5Å; A497-G501 PolarHBondContact O-N 2.81Å; A497-G501 VanDerWaalsContact O-N 3.07Å |
| 498 | F | 96.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 2% | 0.022 | 34% | 0.34 | C | S | . | . | I | π-helix | trans | -62.4 | -48.6 | 174.9 | 166.7 | -109.3 | 0 | 0 | 0 | 111.9 | I436 V437 W440 A464 N494 W495 Q502 L503 | I436-F498 HydrophobicContact CG2-CE1 3.98Å; I436-F498 HydrophobicContact CG2-CZ 4.22Å; V437-F498 HydrophobicContact CG2-CB 4.32Å; V437-F498 HydrophobicContact CG2-CD1 4.46Å; V437-F498 HydrophobicContact CG2-CG 4.41Å; W440-F498 HydrophobicContact CB-CE2 4.31Å; W440-F498 HydrophobicContact CD2-CD2 4.38Å; W440-F498 AromaticContact CD2-CE2 3.47Å; W440-F498 HydrophobicContact CD2-CE2 3.47Å; W440-F498 VanDerWaalsContact CD2-CE2 3.47Å; W440-F498 HydrophobicContact CD2-CZ 4.19Å; W440-F498 AromaticContact CE2-CE2 3.89Å; W440-F498 AromaticContact CE3-CE2 3.53Å; W440-F498 HydrophobicContact CE3-CE2 3.53Å; W440-F498 AromaticContact CE3-CZ 3.77Å; W440-F498 HydrophobicContact CE3-CZ 3.77Å; W440-F498 HydrophobicContact CG-CD2 4.33Å; W440-F498 AromaticContact CG-CE2 3.8Å; W440-F498 HydrophobicContact CG-CE2 3.8Å; W440-F498 HydrophobicContact CH2-CE2 4.39Å; W440-F498 HydrophobicContact CZ2-CE2 4.34Å; W440-F498 HydrophobicContact CZ3-CE2 4.02Å; W440-F498 HydrophobicContact CZ3-CZ 4.08Å; A464-F498 HydrophobicContact CB-CE1 3.94Å; A464-F498 HydrophobicContact CB-CZ 4.24Å; N494-F498 VanDerWaalsContact O-CB 3.27Å; N494-F498 WeakPolarHBondContact O-CB 3.34Å; N494-F498 PolarHBondContact O-N 3.35Å; W495-F498 AromaticContact CE3-CD1 3.64Å; W495-F498 HydrophobicContact CE3-CD1 3.64Å; W495-F498 HydrophobicContact CE3-CE1 4.22Å; W495-F498 HydrophobicContact CH2-CD1 4.43Å; W495-F498 HydrophobicContact CH2-CE1 4.29Å; W495-F498 AromaticContact CZ3-CD1 3.55Å; W495-F498 HydrophobicContact CZ3-CD1 3.55Å; W495-F498 AromaticContact CZ3-CE1 3.63Å; W495-F498 HydrophobicContact CZ3-CE1 3.63Å; W495-F498 PolarHBondContact O-N 3.01Å; F498-Q502 HydrophobicContact CD2-CB 3.91Å; F498-Q502 HydrophobicContact CE2-CB 4.18Å; F498-Q502 PolarHBondContact O-N 3.49Å; F498-Q502 VanDerWaalsContact O-N 3.16Å; F498-L503 HydrophobicContact CE1-CB 4.15Å; F498-L503 HydrophobicContact CE1-CD1 4.47Å; F498-L503 HydrophobicContact CE1-CD2 4.05Å; F498-L503 HydrophobicContact CE1-CG 4.46Å; F498-L503 HydrophobicContact CE2-CB 4.21Å; F498-L503 HydrophobicContact CZ-CB 3.94Å; F498-L503 HydrophobicContact CZ-CD1 4.04Å; F498-L503 HydrophobicContact CZ-CD2 4.41Å; F498-L503 HydrophobicContact CZ-CG 4.36Å; F498-L503 WeakPolarHBondContact O-CB 3.27Å; F498-L503 PolarHBondContact O-N 3.32Å |
| 499 | I | 96.3 | Very high | 93.2 | Very high | 45 Ų | 45 | 66 Ų | 66 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -60.2 | -53 | 176.9 | -67.4 | 164.8 | 0 | 0 | 0 | 110.3 | V468 W495 G501 L503 A504 | V468-I499 HydrophobicContact CG2-CD1 3.69Å; V468-I499 HydrophobicContact CG2-CG1 3.93Å; V468-I499 HydrophobicContact CG2-CG2 4.42Å; W495-I499 HydrophobicContact CD2-CD1 4.03Å; W495-I499 HydrophobicContact CD2-CG1 4.35Å; W495-I499 VanDerWaalsContact CE2-CD1 3.45Å; W495-I499 HydrophobicContact CG-CD1 4.25Å; W495-I499 HydrophobicContact CZ2-CD1 3.81Å; W495-I499 HydrophobicContact CZ2-CG1 4.2Å; W495-I499 VanDerWaalsContact NE1-CD1 3.33Å; W495-I499 WeakPolarHBondContact O-CG1 3.48Å; W495-I499 PolarHBondContact O-N 3.41Å; I499-G501 VanDerWaalsContact C-N 3.29Å; I499-G501 PolarHBondContact O-N 3.27Å; I499-L503 HydrophobicContact CG1-CD2 4.26Å; I499-A504 WeakPolarHBondContact O-CB 3.29Å; I499-A504 PolarHBondContact O-N 3.27Å; I499-A504 VanDerWaalsContact O-N 3.14Å |
| 500 | S | 93.5 | Very high | 92.8 | Very high | 96 Ų | 96 | 67.1 Ų | 67.1 | 67% | 0.671 | 35% | 0.349 | S | S | * | . | I | π-helix | trans | -70.6 | -23.7 | -169.4 | -53.5 | 0 | 0 | 0 | 0 | 113.9 | E496 | E496-S500 VanDerWaalsContact O-CB 3.27Å; E496-S500 WeakPolarHBondContact O-CB 3.45Å; E496-S500 PolarHBondContact O-N 3.43Å; E496-S500 PolarHBondContact O-OG 2.84Å |
| 501 | G | 93.9 | Very high | 92.2 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 25% | 0.247 | 35% | 0.352 | C | S | . | . | I | π-helix | trans | -110.9 | -87.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A497 I499 L503 A504 D505 | A497-G501 PolarHBondContact O-N 2.81Å; A497-G501 VanDerWaalsContact O-N 3.07Å; I499-G501 VanDerWaalsContact C-N 3.29Å; I499-G501 PolarHBondContact O-N 3.27Å; G501-L503 VanDerWaalsContact C-N 3.34Å; G501-L503 PolarHBondContact O-N 3.01Å; G501-A504 PolarHBondContact O-N 3.3Å; G501-A504 VanDerWaalsContact O-N 3.12Å; G501-D505 WeakPolarHBondContact O-CB 3.45Å; G501-D505 PolarHBondContact O-N 3.4Å |
| 502 | Q | 91.5 | Very high | 91.4 | Very high | 65 Ų | 65 | 68.6 Ų | 68.6 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | I | π-helix | trans | -58.6 | -39.2 | -165.2 | -62.7 | 179.7 | -24.7 | 0 | 0 | 114.2 | W440 E444 F498 T506 | W440-Q502 HydrophobicContact CZ2-CB 4.27Å; E444-Q502 VanDerWaalsContact CD-NE2 3.27Å; E444-Q502 VanDerWaalsContact OE1-CD 3.32Å; E444-Q502 PolarHBondContact OE1-NE2 3.01Å; E444-Q502 VanDerWaalsContact OE1-NE2 3.1Å; E444-Q502 PolarHBondContact OE2-NE2 2.7Å; F498-Q502 HydrophobicContact CD2-CB 3.91Å; F498-Q502 HydrophobicContact CE2-CB 4.18Å; F498-Q502 PolarHBondContact O-N 3.49Å; F498-Q502 VanDerWaalsContact O-N 3.16Å; Q502-T506 WeakPolarHBondContact O-CB 3.45Å; Q502-T506 PolarHBondContact O-N 2.83Å; Q502-T506 PolarHBondContact O-OG1 2.9Å |
| 503 | L | 93.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.016 | 39% | 0.389 | C | S | . | . | I | π-helix | trans | -73.5 | -46.7 | 176.1 | -171.4 | 62.2 | 0 | 0 | 0 | 111.1 | T461 A464 N465 V468 F498 I499 G501 D505 T506 N507 | T461-L503 HydrophobicContact CG2-CD1 4.03Å; A464-L503 HydrophobicContact CB-CD1 4Å; A464-L503 HydrophobicContact CB-CD2 3.94Å; N465-L503 WeakPolarHBondContact OD1-CD1 3.39Å; V468-L503 HydrophobicContact CG2-CD2 4.49Å; F498-L503 HydrophobicContact CE1-CB 4.15Å; F498-L503 HydrophobicContact CE1-CD1 4.47Å; F498-L503 HydrophobicContact CE1-CD2 4.05Å; F498-L503 HydrophobicContact CE1-CG 4.46Å; F498-L503 HydrophobicContact CE2-CB 4.21Å; F498-L503 HydrophobicContact CZ-CB 3.94Å; F498-L503 HydrophobicContact CZ-CD1 4.04Å; F498-L503 HydrophobicContact CZ-CD2 4.41Å; F498-L503 HydrophobicContact CZ-CG 4.36Å; F498-L503 WeakPolarHBondContact O-CB 3.27Å; F498-L503 PolarHBondContact O-N 3.32Å; I499-L503 HydrophobicContact CG1-CD2 4.26Å; G501-L503 VanDerWaalsContact C-N 3.34Å; G501-L503 PolarHBondContact O-N 3.01Å; L503-D505 PolarHBondContact O-N 2.97Å; L503-T506 PolarHBondContact O-N 3.39Å; L503-T506 VanDerWaalsContact O-N 3.15Å; L503-N507 WeakPolarHBondContact O-CB 3.34Å; L503-N507 VanDerWaalsContact O-CG 3.28Å; L503-N507 PolarHBondContact O-N 2.97Å |
| 504 | A | 92.8 | Very high | 88.3 | Confident | 42 Ų | 42 | 74.7 Ų | 74.7 | 35% | 0.347 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I499 G501 T506 N507 K508 | I499-A504 WeakPolarHBondContact O-CB 3.29Å; I499-A504 PolarHBondContact O-N 3.27Å; I499-A504 VanDerWaalsContact O-N 3.14Å; G501-A504 PolarHBondContact O-N 3.3Å; G501-A504 VanDerWaalsContact O-N 3.12Å; A504-T506 VanDerWaalsContact C-N 3.28Å; A504-T506 PolarHBondContact O-N 2.73Å; A504-N507 PolarHBondContact O-N 3.43Å; A504-K508 VanDerWaalsContact O-CB 3.26Å; A504-K508 WeakPolarHBondContact O-CB 3.45Å; A504-K508 PolarHBondContact O-N 2.96Å |
| 505 | D | 91.9 | Very high | 86.1 | Confident | 96 Ų | 96 | 78.7 Ų | 78.7 | 51% | 0.513 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.6 | -28.5 | 175.7 | -77.8 | -35.2 | 0 | 0 | 0 | 112.7 | G501 L503 R509 | G501-D505 WeakPolarHBondContact O-CB 3.45Å; G501-D505 PolarHBondContact O-N 3.4Å; L503-D505 PolarHBondContact O-N 2.97Å; D505-R509 VanDerWaalsContact O-CG 3.28Å; D505-R509 WeakPolarHBondContact O-CG 3.26Å; D505-R509 PolarHBondContact O-N 3.27Å; D505-R509 PolarHBondContact O-NE 2.99Å |
| 506 | T | 90.4 | Very high | 83.7 | Confident | 8 Ų | 8 | 84 Ų | 84 | 5% | 0.049 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -77 | -44.8 | 174.1 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | W440 T461 Q502 L503 A504 K508 R509 N510 | W440-T506 HydrophobicContact CH2-CG2 4.09Å; W440-T506 WeakPolarHBondContact CZ2-OG1 3.47Å; T461-T506 HydrophobicContact CG2-CG2 4.33Å; Q502-T506 WeakPolarHBondContact O-CB 3.45Å; Q502-T506 PolarHBondContact O-N 2.83Å; Q502-T506 PolarHBondContact O-OG1 2.9Å; L503-T506 PolarHBondContact O-N 3.39Å; L503-T506 VanDerWaalsContact O-N 3.15Å; A504-T506 VanDerWaalsContact C-N 3.28Å; A504-T506 PolarHBondContact O-N 2.73Å; T506-K508 PolarHBondContact O-N 3.22Å; T506-R509 PolarHBondContact O-N 2.79Å; T506-R509 PolarHBondContact OG1-NH2 3.4Å; T506-N510 WeakPolarHBondContact O-CB 3.47Å; T506-N510 PolarHBondContact O-N 3.26Å; T506-N510 PolarHBondContact O-ND2 2.87Å; T506-N510 PolarHBondContact O-OD1 2.81Å |
| 507 | N | 91.8 | Very high | 81.4 | Confident | 43 Ų | 43 | 84.6 Ų | 84.6 | 23% | 0.23 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 174.3 | -70.2 | -17.7 | 0 | 0 | 0 | 110.6 | N465 L503 A504 R509 N510 T511 | N465-N507 PolarHBondContact ND2-ND2 3.44Å; N465-N507 PolarHBondContact ND2-OD1 2.75Å; N465-N507 PolarHBondContact OD1-ND2 3.33Å; N465-N507 PolarHBondContact OD1-OD1 3.26Å; L503-N507 WeakPolarHBondContact O-CB 3.34Å; L503-N507 VanDerWaalsContact O-CG 3.28Å; L503-N507 PolarHBondContact O-N 2.97Å; A504-N507 PolarHBondContact O-N 3.43Å; N507-R509 VanDerWaalsContact C-N 3.32Å; N507-R509 PolarHBondContact O-N 2.88Å; N507-N510 CarbonylContact O-C 3.5Å; N507-N510 WeakPolarHBondContact O-CA 3.41Å; N507-N510 PolarHBondContact O-N 3.47Å; N507-T511 PolarHBondContact O-N 3.14Å; N507-T511 PolarHBondContact O-OG1 3.11Å |
| 508 | K | 90.9 | Very high | 78.8 | Confident | 150 Ų | 150 | 88.8 Ų | 88.8 | 65% | 0.652 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -54.7 | -45.3 | 175.9 | -176.6 | 179.4 | 178.5 | -176.9 | 0 | 112.4 | A504 T506 N510 T511 V512 | A504-K508 VanDerWaalsContact O-CB 3.26Å; A504-K508 WeakPolarHBondContact O-CB 3.45Å; A504-K508 PolarHBondContact O-N 2.96Å; T506-K508 PolarHBondContact O-N 3.22Å; K508-N510 VanDerWaalsContact C-N 3.35Å; K508-T511 PolarHBondContact O-N 3.31Å; K508-V512 WeakPolarHBondContact O-CG2 3.3Å; K508-V512 PolarHBondContact O-N 2.92Å |
| 509 | R | 86.7 | Confident | 76.2 | Confident | 163 Ų | 163 | 96.9 Ų | 96.9 | 62% | 0.615 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -37.7 | 175.3 | -74.6 | 177.8 | -65.2 | 157.9 | 0.9 | 112.6 | D505 T506 N507 T511 V512 | D505-R509 VanDerWaalsContact O-CG 3.28Å; D505-R509 WeakPolarHBondContact O-CG 3.26Å; D505-R509 PolarHBondContact O-N 3.27Å; D505-R509 PolarHBondContact O-NE 2.99Å; T506-R509 PolarHBondContact O-N 2.79Å; T506-R509 PolarHBondContact OG1-NH2 3.4Å; N507-R509 VanDerWaalsContact C-N 3.32Å; N507-R509 PolarHBondContact O-N 2.88Å; R509-T511 PolarHBondContact O-N 2.86Å; R509-V512 PolarHBondContact O-N 3.14Å |
| 510 | N | 83.5 | Confident | 73.4 | Confident | 112 Ų | 112 | 102.3 Ų | 102.3 | 60% | 0.599 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -75.3 | -8.4 | 177.4 | -62.3 | -8 | 0 | 0 | 0 | 113.6 | T506 N507 K508 | T506-N510 WeakPolarHBondContact O-CB 3.47Å; T506-N510 PolarHBondContact O-N 3.26Å; T506-N510 PolarHBondContact O-ND2 2.87Å; T506-N510 PolarHBondContact O-OD1 2.81Å; N507-N510 CarbonylContact O-C 3.5Å; N507-N510 WeakPolarHBondContact O-CA 3.41Å; N507-N510 PolarHBondContact O-N 3.47Å; K508-N510 VanDerWaalsContact C-N 3.35Å |
| 511 | T | 80.6 | Confident | 70.7 | Confident | 114 Ų | 114 | 106.4 Ų | 106.4 | 70% | 0.699 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 11.5 | 177.3 | -47.9 | 0 | 0 | 0 | 0 | 111.9 | N507 K508 R509 | N507-T511 PolarHBondContact O-N 3.14Å; N507-T511 PolarHBondContact O-OG1 3.11Å; K508-T511 PolarHBondContact O-N 3.31Å; R509-T511 PolarHBondContact O-N 2.86Å |
| 512 | V | 74.5 | Confident | 67.7 | Low | 92 Ų | 92 | 110.5 Ų | 110.5 | 56% | 0.558 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -82.3 | 116.5 | 165 | 178.7 | 0 | 0 | 0 | 0 | 107.9 | K508 R509 L514 | K508-V512 WeakPolarHBondContact O-CG2 3.3Å; K508-V512 PolarHBondContact O-N 2.92Å; R509-V512 PolarHBondContact O-N 3.14Å; V512-L514 PolarHBondContact O-N 3.17Å |
| 513 | D | 58.7 | Low | 65.2 | Low | 124 Ų | 124 | 113.4 Ų | 113.4 | 66% | 0.663 | 61% | 0.607 | S | S | * | * | trans | -60.9 | 130.8 | 169.9 | -75.2 | -54.2 | 0 | 0 | 0 | 110.5 | V515 | D513-V515 PolarHBondContact O-N 3.36Š| ||
| 514 | L | 64 | Low | 62.5 | Low | 181 Ų | 181 | 117.8 Ų | 117.8 | 95% | 0.948 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -68.6 | -19.3 | 178.3 | -64.8 | 171.7 | 0 | 0 | 0 | 112.2 | V512 | V512-L514 PolarHBondContact O-N 3.17Š|
| 515 | V | 50.5 | Low | 60.3 | Low | 117 Ų | 117 | 123 Ų | 123 | 71% | 0.709 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -101.7 | 85.2 | 174.8 | -174.9 | 0 | 0 | 0 | 0 | 109 | D513 T517 | D513-V515 PolarHBondContact O-N 3.36Å; V515-T517 HydrophobicContact CG1-CG2 4.5Å; V515-T517 PolarHBondContact O-N 2.9Å |
| 516 | N | 46.5 | Very low | 57.9 | Low | 118 Ų | 118 | 125.6 Ų | 125.6 | 63% | 0.631 | 67% | 0.674 | S | S | * | * | trans | -74.3 | 94.7 | 177.4 | -147.8 | -2.3 | 0 | 0 | 0 | 109.2 | H518 | N516-H518 PolarHBondContact O-CD2 2.98Å; N516-H518 PolarHBondContact O-N 3.38Å | ||
| 517 | T | 46.2 | Very low | 56.2 | Low | 113 Ų | 113 | 134.2 Ų | 134.2 | 69% | 0.693 | 71% | 0.714 | S | S | * | * | trans | -68.1 | 81.7 | 174.5 | 40.6 | 0 | 0 | 0 | 0 | 109.8 | V515 H519 | V515-T517 HydrophobicContact CG1-CG2 4.5Å; V515-T517 PolarHBondContact O-N 2.9Å; T517-H519 PolarHBondContact O-N 3.5Å | ||
| 518 | H | 39.9 | Very low | 53.8 | Low | 153 Ų | 153 | 138.7 Ų | 138.7 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | trans | -53.2 | 104.2 | 179.2 | -80.8 | -79.3 | 0 | 0 | 0 | 110.8 | N516 I520 | N516-H518 PolarHBondContact O-CD2 2.98Å; N516-H518 PolarHBondContact O-N 3.38Å; H518-I520 PolarHBondContact O-N 3.08Å | ||
| 519 | H | 42.3 | Very low | 51.8 | Low | 175 Ų | 175 | 138.5 Ų | 138.5 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | -57.9 | 103.3 | 167.7 | -81.5 | -49.3 | 0 | 0 | 0 | 108.8 | T517 H521 | T517-H519 PolarHBondContact O-N 3.5Å; H519-H521 PolarHBondContact O-N 2.88Å | ||
| 520 | I | 37.1 | Very low | 49.4 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | trans | -62 | 108.1 | 169.9 | -58.9 | 176.1 | 0 | 0 | 0 | 106.2 | H518 S522 | H518-I520 PolarHBondContact O-N 3.08Å; I520-S522 VanDerWaalsContact C-N 3.33Å; I520-S522 PolarHBondContact O-N 3.15Å | ||
| 521 | H | 35.9 | Very low | 47.4 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | -62.3 | 94.2 | 176.9 | -83.8 | -79.9 | 0 | 0 | 0 | 109.7 | H519 S523 | H519-H521 PolarHBondContact O-N 2.88Å; H521-S523 PolarHBondContact O-N 2.97Å | ||
| 522 | S | 32.7 | Very low | 45.7 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -70.2 | 94.9 | 175.9 | -170.5 | 0 | 0 | 0 | 0 | 109.7 | I520 S524 | I520-S522 VanDerWaalsContact C-N 3.33Å; I520-S522 PolarHBondContact O-N 3.15Å; S522-S524 VanDerWaalsContact C-N 3.3Å; S522-S524 PolarHBondContact O-N 3.27Å; S522-S524 VanDerWaalsContact O-N 3.09Å | ||
| 523 | S | 39.3 | Very low | 43.7 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 88% | 0.881 | 78% | 0.78 | S | S | * | * | trans | -82.8 | 74 | 175.3 | 65.6 | 0 | 0 | 0 | 0 | 110.8 | H521 | H521-S523 PolarHBondContact O-N 2.97Š| ||
| 524 | S | 35.5 | Very low | 43.1 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | -139.2 | 117 | 159.3 | -159.4 | 0 | 0 | 0 | 0 | 110.2 | S522 | S522-S524 VanDerWaalsContact C-N 3.3Å; S522-S524 PolarHBondContact O-N 3.27Å; S522-S524 VanDerWaalsContact O-N 3.09Å | ||
| 525 | D | 47.6 | Very low | 41.6 | Very low | 151 Ų | 151 | 141 Ų | 141 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | -79.5 | 115 | 168.6 | 178.7 | 28.1 | 0 | 0 | 0 | 108.3 | ||||
| 526 | D | 41.3 | Very low | 41.4 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -172.5 | 102.6 | 160.9 | -105.6 | -30.3 | 0 | 0 | 0 | 108.5 | ||||
| 527 | E | 53.7 | Low | 41.4 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -74.9 | 126.2 | 176.5 | -72.6 | -169 | 162.3 | 0 | 0 | 112 | ||||
| 528 | V | 42.8 | Very low | 41.7 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -132.6 | 109.1 | 156.2 | -82.2 | 0 | 0 | 0 | 0 | 110.7 | F530 | V528-F530 PolarHBondContact O-N 2.81Å; V528-F530 VanDerWaalsContact O-N 3.12Å | ||
| 529 | D | 48.9 | Very low | 42.3 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -54.3 | 106.7 | 179.8 | -179.7 | 15.4 | 0 | 0 | 0 | 112.4 | ||||
| 530 | F | 35.3 | Very low | 42.7 | Very low | 201 Ų | 201 | 134.5 Ų | 134.5 | 88% | 0.882 | 74% | 0.739 | S | S | * | * | trans | -124.4 | 130.5 | 162.1 | -113.6 | -91.1 | 0 | 0 | 0 | 109.1 | V528 | V528-F530 PolarHBondContact O-N 2.81Å; V528-F530 VanDerWaalsContact O-N 3.12Å | ||
| 531 | K | 41.5 | Very low | 43.4 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | trans | -68.2 | 147.6 | -158.7 | -70.3 | -177 | 176 | -177.7 | 0 | 114.6 | G533 | K531-G533 PolarHBondContact O-N 3.49Š| ||
| 532 | D | 45.8 | Very low | 44.3 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 86% | 0.856 | 72% | 0.719 | S | S | * | * | trans | -28.3 | 126.2 | 154.6 | -177.1 | 15.7 | 0 | 0 | 0 | 113.4 | ||||
| 533 | G | 31.2 | Very low | 45.3 | Very low | 58 Ų | 58 | 129.8 Ų | 129.8 | 60% | 0.598 | 71% | 0.705 | S | S | * | * | trans | -161.1 | 60.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | K531 F535 | K531-G533 PolarHBondContact O-N 3.49Å; G533-F535 PolarHBondContact O-N 3.49Å | ||
| 534 | G | 47.5 | Very low | 45.8 | Very low | 64 Ų | 64 | 126.2 Ų | 126.2 | 66% | 0.66 | 68% | 0.682 | S | S | * | * | trans | -53.3 | 116.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 535 | F | 32.5 | Very low | 46.4 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | trans | -89.2 | 124.4 | 176.9 | -107.8 | -98.7 | 0 | 0 | 0 | 111.2 | G533 Q537 | G533-F535 PolarHBondContact O-N 3.49Å; F535-Q537 HydrophobicContact CD1-CG 4.39Å; F535-Q537 PolarHBondContact O-N 3.26Å | ||
| 536 | H | 45.1 | Very low | 46.4 | Very low | 170 Ų | 170 | 121.6 Ų | 121.6 | 79% | 0.787 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 22.4 | -172 | -104 | -96.9 | 0 | 0 | 0 | 115.4 | ||
| 537 | Q | 46.4 | Very low | 46.8 | Very low | 118 Ų | 118 | 115.6 Ų | 115.6 | 55% | 0.551 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73.9 | -39.8 | -166.8 | -80.9 | 176.8 | -33.5 | 0 | 0 | 114.6 | F535 S539 S540 L541 | F535-Q537 HydrophobicContact CD1-CG 4.39Å; F535-Q537 PolarHBondContact O-N 3.26Å; Q537-S539 VanDerWaalsContact C-N 3.28Å; Q537-S539 PolarHBondContact O-N 2.91Å; Q537-S540 PolarHBondContact O-N 3.23Å; Q537-S540 PolarHBondContact O-OG 2.83Å; Q537-L541 PolarHBondContact O-N 3.29Å; Q537-L541 VanDerWaalsContact O-N 3.11Å |
| 538 | D | 53.2 | Low | 46.6 | Very low | 134 Ų | 134 | 115.2 Ų | 115.2 | 72% | 0.717 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -56.6 | -40.5 | -176.4 | -64.5 | -22.4 | 0 | 0 | 0 | 112.7 | S540 L541 Q542 | D538-S540 VanDerWaalsContact C-N 3.28Å; D538-S540 PolarHBondContact O-N 2.9Å; D538-L541 PolarHBondContact O-N 3.02Å; D538-Q542 WeakPolarHBondContact O-CB 3.39Å; D538-Q542 PolarHBondContact O-N 2.73Å |
| 539 | S | 52.2 | Low | 46.5 | Very low | 87 Ų | 87 | 115.1 Ų | 115.1 | 61% | 0.608 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.9 | -29.8 | 178.5 | -167.9 | 0 | 0 | 0 | 0 | 112.9 | Q537 Q543 | Q537-S539 VanDerWaalsContact C-N 3.28Å; Q537-S539 PolarHBondContact O-N 2.91Å; S539-Q543 WeakPolarHBondContact O-CB 3.29Å; S539-Q543 PolarHBondContact O-N 3.21Å; S539-Q543 VanDerWaalsContact O-N 3.14Å |
| 540 | S | 51.2 | Low | 46.9 | Very low | 31 Ų | 31 | 113.2 Ų | 113.2 | 22% | 0.217 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -78.4 | -35.5 | 176.9 | 67.4 | 0 | 0 | 0 | 0 | 112.3 | Q537 D538 Q543 A544 Q560 | Q537-S540 PolarHBondContact O-N 3.23Å; Q537-S540 PolarHBondContact O-OG 2.83Å; D538-S540 VanDerWaalsContact C-N 3.28Å; D538-S540 PolarHBondContact O-N 2.9Å; S540-Q543 PolarHBondContact O-N 3.03Å; S540-A544 VanDerWaalsContact O-CB 3.3Å; S540-A544 WeakPolarHBondContact O-CB 3.31Å; S540-A544 PolarHBondContact O-N 3.38Å; S540-Q560 PolarHBondContact OG-NE2 2.77Å |
| 541 | L | 51.5 | Low | 47.3 | Very low | 121 Ų | 121 | 110.9 Ų | 110.9 | 63% | 0.634 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.9 | -42.6 | 172.2 | -86.8 | 161.7 | 0 | 0 | 0 | 111.8 | Q537 D538 Q543 A544 F545 | Q537-L541 PolarHBondContact O-N 3.29Å; Q537-L541 VanDerWaalsContact O-N 3.11Å; D538-L541 PolarHBondContact O-N 3.02Å; L541-Q543 VanDerWaalsContact C-N 3.31Å; L541-Q543 PolarHBondContact O-N 3.31Å; L541-A544 PolarHBondContact O-N 2.84Å; L541-F545 VanDerWaalsContact O-CB 3.32Å; L541-F545 WeakPolarHBondContact O-CB 3.36Å; L541-F545 PolarHBondContact O-N 3.44Å |
| 542 | Q | 54.2 | Low | 47.4 | Very low | 130 Ų | 130 | 106.3 Ų | 106.3 | 61% | 0.607 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.2 | -37.6 | 176 | -159.5 | 71.8 | 24.7 | 0 | 0 | 111.8 | D538 S546 | D538-Q542 WeakPolarHBondContact O-CB 3.39Å; D538-Q542 PolarHBondContact O-N 2.73Å; Q542-S546 WeakPolarHBondContact O-CB 3.49Å; Q542-S546 PolarHBondContact O-N 2.98Å; Q542-S546 VanDerWaalsContact O-N 3.14Å; Q542-S546 PolarHBondContact O-OG 2.98Å |
| 543 | Q | 53.6 | Low | 47.1 | Very low | 101 Ų | 101 | 107.1 Ų | 107.1 | 47% | 0.472 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.7 | -51.2 | 174.5 | -170.9 | 63.5 | 48 | 0 | 0 | 111.2 | S539 S540 L541 F545 S546 D547 | S539-Q543 WeakPolarHBondContact O-CB 3.29Å; S539-Q543 PolarHBondContact O-N 3.21Å; S539-Q543 VanDerWaalsContact O-N 3.14Å; S540-Q543 PolarHBondContact O-N 3.03Å; L541-Q543 VanDerWaalsContact C-N 3.31Å; L541-Q543 PolarHBondContact O-N 3.31Å; Q543-F545 VanDerWaalsContact C-N 3.27Å; Q543-F545 PolarHBondContact O-N 3.05Å; Q543-S546 CarbonylContact O-C 3.47Å; Q543-S546 WeakPolarHBondContact O-CA 3.37Å; Q543-S546 WeakPolarHBondContact O-CB 3.29Å; Q543-S546 PolarHBondContact O-N 3.44Å; Q543-D547 PolarHBondContact NE2-OD1 3Å; Q543-D547 PolarHBondContact O-N 2.82Å |
| 544 | A | 50.8 | Low | 48 | Very low | 50 Ų | 50 | 106.6 Ų | 106.6 | 41% | 0.413 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.6 | -37 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | S540 L541 Y548 | S540-A544 VanDerWaalsContact O-CB 3.3Å; S540-A544 WeakPolarHBondContact O-CB 3.31Å; S540-A544 PolarHBondContact O-N 3.38Å; L541-A544 PolarHBondContact O-N 2.84Å; A544-Y548 WeakPolarHBondContact O-CB 3.17Å; A544-Y548 PolarHBondContact O-N 2.93Å |
| 545 | F | 48.9 | Very low | 47.8 | Very low | 107 Ų | 107 | 107.7 Ų | 107.7 | 47% | 0.469 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.8 | -33.5 | 174.3 | -171.8 | -119.2 | 0 | 0 | 0 | 112.8 | L541 Q543 Q549 | L541-F545 VanDerWaalsContact O-CB 3.32Å; L541-F545 WeakPolarHBondContact O-CB 3.36Å; L541-F545 PolarHBondContact O-N 3.44Å; Q543-F545 VanDerWaalsContact C-N 3.27Å; Q543-F545 PolarHBondContact O-N 3.05Å; F545-Q549 WeakPolarHBondContact O-CG 3.27Å; F545-Q549 PolarHBondContact O-N 3.25Å |
| 546 | S | 47.4 | Very low | 48 | Very low | 44 Ų | 44 | 104.1 Ų | 104.1 | 31% | 0.308 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.3 | -43.5 | 173.9 | -58 | 0 | 0 | 0 | 0 | 111.6 | Q542 Q543 Y548 Q549 M550 | Q542-S546 WeakPolarHBondContact O-CB 3.49Å; Q542-S546 PolarHBondContact O-N 2.98Å; Q542-S546 VanDerWaalsContact O-N 3.14Å; Q542-S546 PolarHBondContact O-OG 2.98Å; Q543-S546 CarbonylContact O-C 3.47Å; Q543-S546 WeakPolarHBondContact O-CA 3.37Å; Q543-S546 WeakPolarHBondContact O-CB 3.29Å; Q543-S546 PolarHBondContact O-N 3.44Å; S546-Y548 VanDerWaalsContact C-N 3.35Å; S546-Q549 PolarHBondContact O-N 3.25Å; S546-M550 WeakPolarHBondContact O-CG 3.27Å; S546-M550 PolarHBondContact O-N 3.01Å |
| 547 | D | 49.2 | Very low | 47.8 | Very low | 23 Ų | 23 | 103.1 Ų | 103.1 | 12% | 0.123 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 178 | -66.3 | -8.6 | 0 | 0 | 0 | 111.1 | Q543 M550 Q551 Q552 | Q543-D547 PolarHBondContact NE2-OD1 3Å; Q543-D547 PolarHBondContact O-N 2.82Å; D547-M550 CarbonylContact O-C 3.57Å; D547-M550 PolarHBondContact O-N 3.42Å; D547-Q551 PolarHBondContact O-N 2.85Å; D547-Q552 PolarHBondContact O-N 3.49Å; D547-Q552 VanDerWaalsContact O-N 3.09Å |
| 548 | Y | 50.1 | Low | 47.9 | Very low | 181 Ų | 181 | 104 Ų | 104 | 71% | 0.71 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.9 | -47.4 | 170.6 | -179.9 | -97.8 | 0 | 0 | 0 | 112.3 | A544 S546 M550 Q551 | A544-Y548 WeakPolarHBondContact O-CB 3.17Å; A544-Y548 PolarHBondContact O-N 2.93Å; S546-Y548 VanDerWaalsContact C-N 3.35Å; Y548-M550 PolarHBondContact O-N 3.17Å; Y548-Q551 PolarHBondContact O-N 3.43Å; Y548-Q551 VanDerWaalsContact O-N 3.15Å |
| 549 | Q | 40.9 | Very low | 47.6 | Very low | 136 Ų | 136 | 105 Ų | 105 | 64% | 0.636 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.4 | -27.7 | 175 | -77 | -168.2 | 45.4 | 0 | 0 | 113.2 | F545 S546 | F545-Q549 WeakPolarHBondContact O-CG 3.27Å; F545-Q549 PolarHBondContact O-N 3.25Å; S546-Q549 PolarHBondContact O-N 3.25Å |
| 550 | M | 55.5 | Low | 47 | Very low | 106 Ų | 106 | 107 Ų | 107 | 52% | 0.522 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -2.6 | 175.5 | -68.8 | -170.9 | -69 | 0 | 0 | 114.3 | S546 D547 Y548 Q552 | S546-M550 WeakPolarHBondContact O-CG 3.27Å; S546-M550 PolarHBondContact O-N 3.01Å; D547-M550 CarbonylContact O-C 3.57Å; D547-M550 PolarHBondContact O-N 3.42Å; Y548-M550 PolarHBondContact O-N 3.17Å; M550-Q552 HydrophobicContact CB-CG 4.38Å; M550-Q552 PolarHBondContact O-N 2.93Å |
| 551 | Q | 45.4 | Very low | 46.7 | Very low | 152 Ų | 152 | 114 Ų | 114 | 71% | 0.71 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.3 | 35.1 | -176 | -59.9 | -174.1 | -10.1 | 0 | 0 | 114.2 | D547 Y548 | D547-Q551 PolarHBondContact O-N 2.85Å; Y548-Q551 PolarHBondContact O-N 3.43Å; Y548-Q551 VanDerWaalsContact O-N 3.15Å |
| 552 | Q | 42 | Very low | 46.1 | Very low | 87 Ų | 87 | 111.2 Ų | 111.2 | 41% | 0.407 | 56% | 0.56 | S | S | . | * | trans | -99.6 | 107.8 | 176.4 | -70.4 | -174.2 | 70.5 | 0 | 0 | 110.5 | D547 M550 T554 | D547-Q552 PolarHBondContact O-N 3.49Å; D547-Q552 VanDerWaalsContact O-N 3.09Å; M550-Q552 HydrophobicContact CB-CG 4.38Å; M550-Q552 PolarHBondContact O-N 2.93Å; Q552-T554 VanDerWaalsContact C-N 3.3Å; Q552-T554 HydrophobicContact CB-CG2 4.16Å; Q552-T554 PolarHBondContact O-N 3.14Å | ||
| 553 | M | 40.2 | Very low | 45.2 | Very low | 178 Ų | 178 | 114.5 Ų | 114.5 | 88% | 0.877 | 57% | 0.573 | S | S | * | * | trans | -75.4 | 84.1 | 167.2 | -71.5 | -105.5 | -78.5 | 0 | 0 | 109 | ||||
| 554 | T | 50.4 | Low | 44.4 | Very low | 46 Ų | 46 | 116.2 Ų | 116.2 | 28% | 0.282 | 59% | 0.585 | S | S | . | * | trans | -78.9 | 149.9 | 175.8 | 56.5 | 0 | 0 | 0 | 0 | 110.9 | Q552 N556 F557 | Q552-T554 VanDerWaalsContact C-N 3.3Å; Q552-T554 HydrophobicContact CB-CG2 4.16Å; Q552-T554 PolarHBondContact O-N 3.14Å; T554-N556 PolarHBondContact O-N 3.47Å; T554-N556 VanDerWaalsContact O-N 3.15Å; T554-F557 PolarHBondContact O-N 2.83Å | ||
| 555 | S | 43.9 | Very low | 43.9 | Very low | 87 Ų | 87 | 120.8 Ų | 120.8 | 61% | 0.608 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -30.6 | -179.8 | 44.2 | 0 | 0 | 0 | 0 | 113.7 | F557 I558 | S555-F557 PolarHBondContact O-N 2.96Å; S555-F557 VanDerWaalsContact O-N 3.08Å; S555-I558 PolarHBondContact O-N 3.07Å |
| 556 | N | 36.6 | Very low | 43.5 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 52% | 0.519 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -59.5 | -22.8 | -175.5 | -55.6 | 4.4 | 0 | 0 | 0 | 113.2 | T554 I558 | T554-N556 PolarHBondContact O-N 3.47Å; T554-N556 VanDerWaalsContact O-N 3.15Å; N556-I558 PolarHBondContact O-N 3.14Å |
| 557 | F | 40.6 | Very low | 43.1 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 66% | 0.658 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.4 | -25.3 | 175.1 | -173.2 | -99.8 | 0 | 0 | 0 | 113.1 | T554 S555 | T554-F557 PolarHBondContact O-N 2.83Å; S555-F557 PolarHBondContact O-N 2.96Å; S555-F557 VanDerWaalsContact O-N 3.08Å |
| 558 | I | 47.1 | Very low | 42.5 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 69% | 0.692 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -88.1 | -38.4 | -177.6 | -62 | 176.9 | 0 | 0 | 0 | 111.4 | S555 N556 Q560 F561 | S555-I558 PolarHBondContact O-N 3.07Å; N556-I558 PolarHBondContact O-N 3.14Å; I558-Q560 VanDerWaalsContact C-N 3.32Å; I558-Q560 PolarHBondContact O-N 2.91Å; I558-F561 PolarHBondContact O-N 3.23Å |
| 559 | E | 47.5 | Very low | 42.3 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 72% | 0.724 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -67.1 | -29.5 | -179.1 | -66.6 | -173.8 | 137.7 | 0 | 0 | 113.4 | F561 G562 | E559-F561 PolarHBondContact O-N 3.16Å; E559-G562 PolarHBondContact O-N 3.12Å |
| 560 | Q | 40.9 | Very low | 42.4 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 61% | 0.607 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -9.1 | -175.7 | -161.8 | 165.5 | -10.1 | 0 | 0 | 114 | S540 I558 | S540-Q560 PolarHBondContact OG-NE2 2.77Å; I558-Q560 VanDerWaalsContact C-N 3.32Å; I558-Q560 PolarHBondContact O-N 2.91Å |
| 561 | F | 44.8 | Very low | 41.4 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | 61 | 166.7 | -78.1 | -84.8 | 0 | 0 | 0 | 110.6 | I558 E559 F563 | I558-F561 PolarHBondContact O-N 3.23Å; E559-F561 PolarHBondContact O-N 3.16Å; F561-F563 PolarHBondContact O-N 3.33Å |
| 562 | G | 38.8 | Very low | 41.2 | Very low | 61 Ų | 61 | 140.7 Ų | 140.7 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | trans | -56.8 | 126.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | E559 | E559-G562 PolarHBondContact O-N 3.12Š| ||
| 563 | F | 35.6 | Very low | 41 | Very low | 200 Ų | 200 | 143.6 Ų | 143.6 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | trans | -89.4 | 129.6 | 147.7 | -90.6 | -100.7 | 0 | 0 | 0 | 108.2 | F561 | F561-F563 PolarHBondContact O-N 3.33Š| ||
| 564 | N | 34.8 | Very low | 40.8 | Very low | 136 Ų | 136 | 142 Ų | 142 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -107.9 | 79.1 | -168.9 | -158.6 | 86.2 | 0 | 0 | 0 | 110.3 | E566 | N564-E566 PolarHBondContact O-N 2.81Å; N564-E566 VanDerWaalsContact O-N 3.14Å | ||
| 565 | D | 41.8 | Very low | 40 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -68.7 | -8.6 | -167.1 | -104 | -0.9 | 0 | 0 | 0 | 115.6 | E567 | D565-E567 VanDerWaalsContact C-N 3.31Å; D565-E567 PolarHBondContact O-N 2.83Å |
| 566 | E | 39 | Very low | 39.4 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -76.5 | -2.2 | -174.6 | -63.2 | -164.3 | 157.1 | 0 | 0 | 115.5 | N564 | N564-E566 PolarHBondContact O-N 2.81Å; N564-E566 VanDerWaalsContact O-N 3.14Å |
| 567 | E | 40.8 | Very low | 39.5 | Very low | 179 Ų | 179 | 150 Ų | 150 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -82.8 | -7.5 | -180 | -159.2 | 170.8 | -174.1 | 0 | 0 | 114.1 | D565 | D565-E567 VanDerWaalsContact C-N 3.31Å; D565-E567 PolarHBondContact O-N 2.83Å |
| 568 | F | 36.7 | Very low | 39.3 | Very low | 205 Ų | 205 | 148.7 Ų | 148.7 | 90% | 0.899 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -110.8 | -1.9 | -174.3 | -103.5 | -87.6 | 0 | 0 | 0 | 116.6 | ||
| 569 | A | 45.3 | Very low | 38.9 | Very low | 85 Ų | 85 | 151.2 Ų | 151.2 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -109.9 | 47.2 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 570 | D | 42.4 | Very low | 38.5 | Very low | 157 Ų | 157 | 151 Ų | 151 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -160.1 | 74.2 | 169.6 | -127.4 | -8.9 | 0 | 0 | 0 | 114 | ||||
| 571 | Q | 35.4 | Very low | 38.5 | Very low | 196 Ų | 196 | 155.3 Ų | 155.3 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -159.7 | 53.2 | 166.8 | -141.1 | 149.2 | 122.9 | 0 | 0 | 116.8 | ||||
| 572 | D | 41.4 | Very low | 38.3 | Very low | 164 Ų | 164 | 154.9 Ų | 154.9 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -76.7 | 171.3 | 162.6 | -97.3 | -48.4 | 0 | 0 | 0 | 112.5 | ||||
| 573 | D | 37.5 | Very low | 38.3 | Very low | 149 Ų | 149 | 156.6 Ų | 156.6 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | 74.4 | 62.9 | 173.2 | -86.5 | -15.2 | 0 | 0 | 0 | 119.8 | ||||
| 574 | V | 35.1 | Very low | 38.7 | Very low | 145 Ų | 145 | 153.9 Ų | 153.9 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -136.4 | 77.9 | 142.6 | -167.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 575 | V | 33.5 | Very low | 38.8 | Very low | 113 Ų | 113 | 153.6 Ų | 153.6 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | trans | 19.3 | 121.3 | 139.5 | -174.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 576 | D | 32.2 | Very low | 38.7 | Very low | 150 Ų | 150 | 154 Ų | 154 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 70.7 | 135.1 | 151 | -75.6 | -37.3 | 0 | 0 | 0 | 124.4 | ||||
| 577 | I | 38.7 | Very low | 38.3 | Very low | 134 Ų | 134 | 153.7 Ų | 153.7 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | trans | -74.3 | 162 | -174.8 | -11.6 | 175.8 | 0 | 0 | 0 | 113 | F579 | I577-F579 HydrophobicContact CG2-CD2 4.27Š| ||
| 578 | P | 35.4 | Very low | 38.4 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | -142.5 | 146.7 | 87.4 | 34.7 | -18.1 | 0 | 0 | 0 | 116.6 | D580 | P578-D580 PolarHBondContact O-N 3.49Š| |||
| 579 | F | 38.8 | Very low | 38.2 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -60.5 | 109.5 | 161.9 | -96.2 | -116.5 | 0 | 0 | 0 | 110.4 | I577 | I577-F579 HydrophobicContact CG2-CD2 4.27Š| ||
| 580 | D | 39.6 | Very low | 37.9 | Very low | 150 Ų | 150 | 150.6 Ų | 150.6 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -169.2 | 16.4 | 155.3 | -122.3 | -5.6 | 0 | 0 | 0 | 116.8 | P578 | P578-D580 PolarHBondContact O-N 3.49Š| ||
| 581 | R | 41.3 | Very low | 37.8 | Very low | 222 Ų | 222 | 148.4 Ų | 148.4 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -138.4 | 30.1 | -172 | -69.7 | -163.4 | -177.3 | -175.9 | 4.5 | 117.7 | S583 | R581-S583 VanDerWaalsContact C-N 3.33Š| ||
| 582 | I | 40 | Very low | 38.4 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -89.3 | 0.1 | 174.6 | -60.4 | 177.9 | 0 | 0 | 0 | 111.9 | ||
| 583 | S | 39.5 | Very low | 38.9 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -79.7 | -22.9 | 179 | 57.6 | 0 | 0 | 0 | 0 | 115.7 | R581 | R581-S583 VanDerWaalsContact C-N 3.33Š|
| 584 | D | 43.5 | Very low | 39.6 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | -139.1 | 50.4 | -163 | -70.4 | -84.9 | 0 | 0 | 0 | 114.1 | ||||
| 585 | I | 37.8 | Very low | 40.5 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 67% | 0.667 | 72% | 0.715 | S | S | * | * | trans | -121.4 | 99 | 160.1 | -56.2 | -174.7 | 0 | 0 | 0 | 109.3 | F587 | I585-F587 HydrophobicContact CG2-CD2 3.58Å; I585-F587 HydrophobicContact CG2-CE2 3.78Å; I585-F587 PolarHBondContact O-N 3.15Å | ||
| 586 | N | 38.2 | Very low | 41.4 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 83% | 0.829 | 71% | 0.714 | S | S | * | * | trans | -92.2 | 93.5 | 179 | -177.3 | 4.9 | 0 | 0 | 0 | 110.1 | S588 | N586-S588 PolarHBondContact O-N 3.36Š| ||
| 587 | F | 32 | Very low | 42.7 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 76% | 0.763 | 70% | 0.703 | S | S | * | * | trans | -86.7 | 96.3 | 176.1 | -102.7 | -71.3 | 0 | 0 | 0 | 111.9 | I585 L589 | I585-F587 HydrophobicContact CG2-CD2 3.58Å; I585-F587 HydrophobicContact CG2-CE2 3.78Å; I585-F587 PolarHBondContact O-N 3.15Å; F587-L589 PolarHBondContact O-N 2.81Å; F587-L589 VanDerWaalsContact O-N 3.14Å | ||
| 588 | S | 41.2 | Very low | 43.8 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 69% | 0.693 | S | S | * | * | trans | -75.8 | 91.4 | 166 | 58.8 | 0 | 0 | 0 | 0 | 110.5 | N586 | N586-S588 PolarHBondContact O-N 3.36Š| ||
| 589 | L | 33.3 | Very low | 44.9 | Very low | 153 Ų | 153 | 128.7 Ų | 128.7 | 80% | 0.801 | 69% | 0.685 | S | S | * | * | trans | -80.7 | 116.3 | 168 | -91.1 | 168.2 | 0 | 0 | 0 | 110.3 | F587 T591 | F587-L589 PolarHBondContact O-N 2.81Å; F587-L589 VanDerWaalsContact O-N 3.14Å; L589-T591 PolarHBondContact O-N 2.98Å | ||
| 590 | N | 39.3 | Very low | 45.5 | Very low | 142 Ų | 142 | 127 Ų | 127 | 76% | 0.759 | 68% | 0.677 | S | S | * | * | trans | -85 | 104.6 | 176.1 | -179.3 | 20.2 | 0 | 0 | 0 | 109.7 | N592 | N590-N592 PolarHBondContact O-N 3.35Š| ||
| 591 | T | 41.1 | Very low | 46.4 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 68% | 0.681 | 66% | 0.662 | S | S | * | * | trans | -73 | 84.2 | -179.4 | 47.6 | 0 | 0 | 0 | 0 | 111.5 | L589 E593 | L589-T591 PolarHBondContact O-N 2.98Å; T591-E593 VanDerWaalsContact C-N 3.27Å; T591-E593 PolarHBondContact O-N 3.09Å | ||
| 592 | N | 48 | Very low | 47.4 | Very low | 92 Ų | 92 | 116.8 Ų | 116.8 | 49% | 0.492 | 65% | 0.645 | S | S | . | * | trans | -83.5 | 61.4 | -178.1 | -168.8 | 22.3 | 0 | 0 | 0 | 113.7 | N590 S594 A595 | N590-N592 PolarHBondContact O-N 3.35Å; N592-S594 PolarHBondContact O-N 3Å; N592-S594 PolarHBondContact OD1-OG 3.31Å; N592-A595 PolarHBondContact O-N 2.95Å | ||
| 593 | E | 52 | Low | 47.8 | Very low | 138 Ų | 138 | 116.7 Ų | 116.7 | 65% | 0.645 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -24.6 | 175.3 | -65.9 | 172.7 | 110 | 0 | 0 | 112.6 | T591 A595 N596 I597 | T591-E593 VanDerWaalsContact C-N 3.27Å; T591-E593 PolarHBondContact O-N 3.09Å; E593-A595 PolarHBondContact O-N 2.97Å; E593-N596 PolarHBondContact O-N 2.9Å; E593-I597 PolarHBondContact O-N 3.44Å |
| 594 | S | 50.8 | Low | 48.4 | Very low | 78 Ų | 78 | 115.2 Ų | 115.2 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -59.3 | -29.8 | -177.4 | 79.1 | 0 | 0 | 0 | 0 | 114.4 | N592 A598 | N592-S594 PolarHBondContact O-N 3Å; N592-S594 PolarHBondContact OD1-OG 3.31Å; S594-A598 WeakPolarHBondContact O-CB 3.43Å; S594-A598 PolarHBondContact O-N 2.87Å |
| 595 | A | 53.8 | Low | 48.7 | Very low | 41 Ų | 41 | 115.1 Ų | 115.1 | 34% | 0.339 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.4 | -38.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N592 E593 L599 | N592-A595 PolarHBondContact O-N 2.95Å; E593-A595 PolarHBondContact O-N 2.97Å; A595-L599 PolarHBondContact O-N 3.44Å |
| 596 | N | 53.1 | Low | 49.5 | Very low | 121 Ų | 121 | 114.9 Ų | 114.9 | 65% | 0.647 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75.7 | -38.2 | -179.7 | -68.5 | -16.4 | 0 | 0 | 0 | 111.1 | E593 L599 F600 | E593-N596 PolarHBondContact O-N 2.9Å; N596-L599 PolarHBondContact O-N 3.05Å; N596-F600 PolarHBondContact O-N 3.22Å |
| 597 | I | 60 | Low | 49.7 | Very low | 111 Ų | 111 | 116.4 Ų | 116.4 | 57% | 0.569 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.1 | -44.4 | 174.1 | -63 | 169.3 | 0 | 0 | 0 | 110.5 | E593 L599 F600 E601 | E593-I597 PolarHBondContact O-N 3.44Å; I597-L599 VanDerWaalsContact C-N 3.35Å; I597-L599 PolarHBondContact O-N 3.34Å; I597-F600 PolarHBondContact O-N 3.37Å; I597-E601 PolarHBondContact O-N 3.21Å |
| 598 | A | 62 | Low | 50.4 | Low | 58 Ų | 58 | 115 Ų | 115 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64 | -36 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S594 A602 | S594-A598 WeakPolarHBondContact O-CB 3.43Å; S594-A598 PolarHBondContact O-N 2.87Å; A598-A602 VanDerWaalsContact O-CB 3.3Å; A598-A602 WeakPolarHBondContact O-CB 3.43Å; A598-A602 PolarHBondContact O-N 2.78Å |
| 599 | L | 57.3 | Low | 50.3 | Low | 121 Ų | 121 | 116.6 Ų | 116.6 | 63% | 0.634 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.2 | -39.6 | 174.1 | -80.7 | 166 | 0 | 0 | 0 | 112.3 | A595 N596 I597 R603 | A595-L599 PolarHBondContact O-N 3.44Å; N596-L599 PolarHBondContact O-N 3.05Å; I597-L599 VanDerWaalsContact C-N 3.35Å; I597-L599 PolarHBondContact O-N 3.34Å; L599-R603 PolarHBondContact O-N 2.85Å; L599-R603 VanDerWaalsContact O-N 3.1Å |
| 600 | F | 51.3 | Low | 50.4 | Low | 151 Ų | 151 | 115.1 Ų | 115.1 | 66% | 0.662 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.9 | -49.7 | 174.6 | -175.3 | -98.7 | 0 | 0 | 0 | 111.3 | N596 I597 A602 R603 C604 | N596-F600 PolarHBondContact O-N 3.22Å; I597-F600 PolarHBondContact O-N 3.37Å; F600-A602 VanDerWaalsContact C-N 3.33Å; F600-A602 PolarHBondContact O-N 2.95Å; F600-R603 PolarHBondContact O-N 2.87Å; F600-R603 VanDerWaalsContact O-N 3.12Å; F600-C604 PolarHBondContact O-N 3.42Å; F600-C604 PolarHBondContact O-SG 2.89Å; F600-C604 VanDerWaalsContact O-SG 3.39Å |
| 601 | E | 59.7 | Low | 49.9 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 47% | 0.472 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.7 | -37 | -179.7 | -149.2 | -158.2 | 144.9 | 0 | 0 | 112.6 | I597 C604 K605 | I597-E601 PolarHBondContact O-N 3.21Å; E601-C604 PolarHBondContact O-N 3.49Å; E601-K605 PolarHBondContact O-N 3.41Å; E601-K605 IonicContact OE1-NZ 2.74Å; E601-K605 PolarHBondContact OE1-NZ 2.97Å |
| 602 | A | 61.7 | Low | 49.4 | Very low | 58 Ų | 58 | 121.9 Ų | 121.9 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.9 | -42.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A598 F600 K605 E606 | A598-A602 VanDerWaalsContact O-CB 3.3Å; A598-A602 WeakPolarHBondContact O-CB 3.43Å; A598-A602 PolarHBondContact O-N 2.78Å; F600-A602 VanDerWaalsContact C-N 3.33Å; F600-A602 PolarHBondContact O-N 2.95Å; A602-K605 PolarHBondContact O-N 3.16Å; A602-E606 PolarHBondContact O-N 2.86Å; A602-E606 VanDerWaalsContact O-N 3.11Å |
| 603 | R | 47.2 | Very low | 48.5 | Very low | 167 Ų | 167 | 125 Ų | 125 | 63% | 0.63 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.7 | -35.5 | 177.5 | -113.2 | -56.2 | -152.3 | -161 | 8.5 | 113 | L599 F600 E606 | L599-R603 PolarHBondContact O-N 2.85Å; L599-R603 VanDerWaalsContact O-N 3.1Å; F600-R603 PolarHBondContact O-N 2.87Å; F600-R603 VanDerWaalsContact O-N 3.12Å; R603-E606 WeakPolarHBondContact CD-OE2 3.47Å; R603-E606 IonicContact CZ-OE2 2.92Å; R603-E606 IonicContact NE-OE2 3.66Å; R603-E606 IonicContact NH1-OE2 3Å; R603-E606 PolarHBondContact NH1-OE2 2.86Å; R603-E606 PolarHBondContact O-N 3.43Å |
| 604 | C | 52.4 | Low | 47.8 | Very low | 67 Ų | 67 | 123.4 Ų | 123.4 | 45% | 0.453 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.4 | -41.9 | 173.7 | -66.9 | 0 | 0 | 0 | 0 | 111.8 | F600 E601 | F600-C604 PolarHBondContact O-N 3.42Å; F600-C604 PolarHBondContact O-SG 2.89Å; F600-C604 VanDerWaalsContact O-SG 3.39Å; E601-C604 PolarHBondContact O-N 3.49Å |
| 605 | K | 51 | Low | 46.8 | Very low | 139 Ų | 139 | 122.6 Ų | 122.6 | 60% | 0.604 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.1 | -26.3 | 178.6 | -77.7 | 166.6 | 173.4 | 163.2 | 0 | 113.8 | E601 A602 | E601-K605 PolarHBondContact O-N 3.41Å; E601-K605 IonicContact OE1-NZ 2.74Å; E601-K605 PolarHBondContact OE1-NZ 2.97Å; A602-K605 PolarHBondContact O-N 3.16Å |
| 606 | E | 54.4 | Low | 45.7 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 58% | 0.584 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.5 | -26.1 | 178.3 | -166.4 | -177.2 | -138.5 | 0 | 0 | 113.6 | A602 R603 | A602-E606 PolarHBondContact O-N 2.86Å; A602-E606 VanDerWaalsContact O-N 3.11Å; R603-E606 WeakPolarHBondContact CD-OE2 3.47Å; R603-E606 IonicContact CZ-OE2 2.92Å; R603-E606 IonicContact NE-OE2 3.66Å; R603-E606 IonicContact NH1-OE2 3Å; R603-E606 PolarHBondContact NH1-OE2 2.86Å; R603-E606 PolarHBondContact O-N 3.43Å |
| 607 | K | 42.9 | Very low | 44.7 | Very low | 188 Ų | 188 | 126.9 Ų | 126.9 | 82% | 0.817 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -96.3 | -2.3 | -176.7 | -143.4 | -177.8 | -179 | -172.4 | 0 | 114.7 | ||
| 608 | I | 46.8 | Very low | 43.3 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 74% | 0.744 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -123.6 | 74.6 | 173.6 | -53.8 | -177.8 | 0 | 0 | 0 | 109 | Q610 | I608-Q610 PolarHBondContact O-N 3Š|
| 609 | Q | 37.4 | Very low | 41.9 | Very low | 142 Ų | 142 | 135 Ų | 135 | 66% | 0.664 | 69% | 0.692 | S | S | * | * | trans | -80.8 | 95.7 | 176.3 | -169.9 | 80.4 | 32.1 | 0 | 0 | 110.7 | ||||
| 610 | Q | 35.8 | Very low | 41 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 57% | 0.565 | 70% | 0.699 | S | S | * | * | trans | 55.3 | 109.5 | 148.7 | -60.9 | 175.9 | -44.5 | 0 | 0 | 119.6 | I608 | I608-Q610 PolarHBondContact O-N 3Š| ||
| 611 | F | 28.7 | Very low | 40.2 | Very low | 226 Ų | 226 | 136 Ų | 136 | 99% | 0.991 | 70% | 0.704 | S | S | * | * | -123.9 | 57.6 | 117 | -88 | -73.6 | 0 | 0 | 0 | 110 | |||||
| 612 | E | 31.9 | Very low | 39.1 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | trans | -85.1 | 105 | 157.5 | -74.8 | -170.2 | 146.9 | 0 | 0 | 108.5 | ||||
| 613 | D | 29.2 | Very low | 37.6 | Very low | 158 Ų | 158 | 147 Ų | 147 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | -113.2 | 93 | 154.4 | -167.4 | 6.1 | 0 | 0 | 0 | 107.5 | G615 | D613-G615 VanDerWaalsContact C-N 3.32Å; D613-G615 PolarHBondContact O-N 3.47Å | ||
| 614 | A | 35.9 | Very low | 37 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -79.7 | 78.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 615 | G | 29.5 | Very low | 35.8 | Very low | 61 Ų | 61 | 154.5 Ų | 154.5 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | trans | -126.4 | 85.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116 | D613 | D613-G615 VanDerWaalsContact C-N 3.32Å; D613-G615 PolarHBondContact O-N 3.47Å | ||
| 616 | S | 31.5 | Very low | 34.6 | Very low | 109 Ų | 109 | 154.7 Ų | 154.7 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 66.7 | 94.7 | 153.2 | -167.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 617 | D | 32.3 | Very low | 33.3 | Very low | 143 Ų | 143 | 154.7 Ų | 154.7 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | 63.9 | 175 | 126.2 | -127.1 | -30.1 | 0 | 0 | 0 | 120.8 | |||||
| 618 | E | 31.1 | Very low | 32.5 | Very low | 149 Ų | 149 | 152 Ų | 152 | 70% | 0.696 | 79% | 0.786 | S | S | * | * | trans | 73.4 | 104.8 | 168.1 | -38.6 | -60 | -176.8 | 0 | 0 | 120.7 | ||||
| 619 | E | 32.3 | Very low | 31.4 | Very low | 190 Ų | 190 | 154.7 Ų | 154.7 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | 72.9 | 153.5 | 139.8 | -59.4 | -162.7 | 156.5 | 0 | 0 | 124.3 | ||||
| 620 | D | 37.6 | Very low | 30.9 | Very low | 144 Ų | 144 | 152.1 Ų | 152.1 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -60.8 | 149.8 | 173.7 | -73.1 | -67.6 | 0 | 0 | 0 | 113.7 | ||||
| 621 | I | 35.3 | Very low | 30.8 | Very low | 149 Ų | 149 | 151.1 Ų | 151.1 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -158.5 | 77.7 | 142.3 | -99.6 | 141.8 | 0 | 0 | 0 | 110.5 | N623 | I621-N623 PolarHBondContact O-N 2.73Š| ||
| 622 | W | 35.2 | Very low | 30.7 | Very low | 255 Ų | 255 | 149.2 Ų | 149.2 | 97% | 0.966 | 79% | 0.794 | S | S | * | * | trans | -85 | 89.1 | 149.7 | -82.3 | 94.3 | 0 | 0 | 0 | 107.9 | ||||
| 623 | N | 30.3 | Very low | 30.5 | Very low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -127.1 | 120.6 | 170.7 | -92.3 | -72.3 | 0 | 0 | 0 | 110.2 | I621 | I621-N623 PolarHBondContact O-N 2.73Š| ||
| 624 | E | 35.6 | Very low | 30.5 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -60.2 | 141.1 | 170.7 | -53.5 | 166.7 | 119.1 | 0 | 0 | 110.8 | ||||
| 625 | K | 27.8 | Very low | 30.3 | Very low | 207 Ų | 207 | 150.2 Ų | 150.2 | 90% | 0.9 | 78% | 0.781 | S | S | * | * | trans | -162 | 144.6 | 136.9 | -117.3 | 149 | -166.6 | 148.2 | 0 | 117.6 | ||||
| 626 | D | 25.4 | Very low | 30.3 | Very low | 143 Ų | 143 | 158.7 Ų | 158.7 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | -66 | 150.4 | 175.2 | -82.2 | -66.3 | 0 | 0 | 0 | 116.1 | ||||
| 627 | V | 27.1 | Very low | 30.9 | Very low | 125 Ų | 125 | 158.8 Ų | 158.8 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | trans | 63.4 | 129.7 | 138.2 | 173.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 628 | T | 25.2 | Very low | 30.7 | Very low | 131 Ų | 131 | 163.5 Ų | 163.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | 179.6 | 152.1 | 118.5 | -67.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 629 | F | 24.1 | Very low | 30.5 | Very low | 201 Ų | 201 | 161.6 Ų | 161.6 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -102.1 | 139.2 | -179.7 | -103.3 | -95.6 | 0 | 0 | 0 | 114 | ||||
| 630 | A | 27.1 | Very low | 30.2 | Very low | 89 Ų | 89 | 158 Ų | 158 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | 62.8 | 176.7 | 152.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 631 | P | 33.8 | Very low | 29.6 | Very low | 99 Ų | 99 | 154.6 Ų | 154.6 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | cis | -133 | 176.4 | -6.2 | 43.6 | -28.2 | 0 | 0 | 0 | 116.1 | ||||
| 632 | E | 27.6 | Very low | 29.3 | Very low | 186 Ų | 186 | 152.6 Ų | 152.6 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | 61 | 151.6 | 151.5 | -73.6 | 169.2 | 131.4 | 0 | 0 | 120.1 | ||||
| 633 | A | 26.9 | Very low | 28.9 | Very low | 83 Ų | 83 | 146.5 Ų | 146.5 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | cis | -156.2 | 177.9 | -14.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 634 | Q | 29.8 | Very low | 28.6 | Very low | 150 Ų | 150 | 147 Ų | 147 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | 179 | 151.9 | 49.9 | -149.1 | -177 | 81.3 | 0 | 0 | 112.1 | ||||
| 635 | R | 29.9 | Very low | 28.5 | Very low | 220 Ų | 220 | 143.1 Ų | 143.1 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | 83.3 | 114 | 158.2 | -52.5 | -163.2 | -173.7 | -145.5 | -3 | 123 | ||||
| 636 | R | 30.4 | Very low | 28.5 | Very low | 239 Ų | 239 | 141.6 Ų | 141.6 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -60.1 | -176.5 | 158.4 | -54.3 | 173.6 | 176.2 | 175.9 | -3.5 | 114.6 | ||||
| 637 | P | 43.3 | Very low | 28.9 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | -141.4 | 175.9 | -51.7 | 39.5 | -23.5 | 0 | 0 | 0 | 114.4 | |||||
| 638 | R | 28.5 | Very low | 29 | Very low | 243 Ų | 243 | 142.8 Ų | 142.8 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -175.5 | 119.9 | 134.8 | -106.5 | 161.6 | -176.7 | 161.2 | 1 | 116 | ||||
| 639 | S | 26.6 | Very low | 29.1 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 58.3 | 127.2 | 141.6 | -135.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 640 | S | 27.1 | Very low | 29.2 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 86 | 116.9 | 139.2 | -55.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 641 | G | 25.5 | Very low | 29.5 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | 77.1 | 159.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 642 | S | 28.3 | Very low | 29.3 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | cis | -179.3 | 144.7 | -30 | 36.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 643 | T | 27.1 | Very low | 29.8 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 55.5 | 117.7 | 157.5 | 51 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 644 | D | 24.1 | Very low | 30.2 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | 74.6 | 165 | 136.8 | -84.2 | -56.4 | 0 | 0 | 0 | 123.4 | ||||
| 645 | S | 33 | Very low | 30.3 | Very low | 102 Ų | 102 | 147.7 Ų | 147.7 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -162.4 | 120.4 | -156.7 | 45.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 646 | E | 28.7 | Very low | 30.2 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -153.2 | 131.2 | 154.7 | 39.5 | -118.1 | 130.1 | 0 | 0 | 106 | ||||
| 647 | E | 32.3 | Very low | 30.2 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | cis | 79.2 | 157.9 | 48.5 | -166.7 | 159.1 | -170.4 | 0 | 0 | 112.6 | ||||
| 648 | S | 30.1 | Very low | 29.3 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | 78.6 | 152.8 | -168.3 | 80.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 649 | T | 27.1 | Very low | 29.2 | Very low | 124 Ų | 124 | 138 Ų | 138 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | cis | -133.5 | 140.7 | 9.4 | -22.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 650 | D | 26.5 | Very low | 30 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | trans | -63.9 | 163.9 | 150.1 | 170.1 | 46.2 | 0 | 0 | 0 | 111.9 | ||||
| 651 | S | 32.8 | Very low | 29.8 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -173.7 | 142.5 | 152.2 | -78.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 652 | E | 29.9 | Very low | 30 | Very low | 182 Ų | 182 | 146.7 Ų | 146.7 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -94.6 | -147.1 | -165.5 | -56.8 | -175.5 | 118.1 | 0 | 0 | 114.6 | ||||
| 653 | E | 37.2 | Very low | 30.2 | Very low | 186 Ų | 186 | 146.6 Ų | 146.6 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -111.2 | -140.7 | -151.6 | -49 | -173.3 | 154.6 | 0 | 0 | 115.1 | ||||
| 654 | E | 35.1 | Very low | 29.9 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | 77.4 | 146.6 | 168.3 | -62.9 | -151.4 | 140.6 | 0 | 0 | 120 | ||||
| 655 | D | 32.4 | Very low | 29.8 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | cis | -165.4 | 160.9 | -21.9 | 178.2 | 36.9 | 0 | 0 | 0 | 111.7 | ||||
| 656 | S | 28.1 | Very low | 30 | Very low | 62 Ų | 62 | 147.2 Ų | 147.2 | 43% | 0.434 | 77% | 0.769 | S | S | . | * | trans | 81.4 | 124.7 | 143.3 | -95.2 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 657 | K | 30.3 | Very low | 29.8 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | 74.1 | 147.4 | 138.6 | -61.9 | 167.5 | -175.1 | 93.7 | 0 | 117.2 | ||||
| 658 | R | 25.4 | Very low | 29.5 | Very low | 230 Ų | 230 | 138.6 Ų | 138.6 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | cis | -159.5 | 168.6 | 5.7 | -124.2 | 170.7 | -168.8 | 165.2 | 1.2 | 112.2 | ||||
| 659 | D | 25.3 | Very low | 29.2 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -65.1 | -179.6 | 174 | -103.1 | -53.6 | 0 | 0 | 0 | 115.9 | ||||
| 660 | P | 43.8 | Very low | 29.1 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | cis | -142.1 | 165.8 | 18.1 | 42 | -23.2 | 0 | 0 | 0 | 119.8 | ||||
| 661 | F | 23.7 | Very low | 29.1 | Very low | 204 Ų | 204 | 142.6 Ų | 142.6 | 90% | 0.895 | 75% | 0.754 | S | S | * | * | 179.1 | 145.3 | 117.9 | -106.6 | -74 | 0 | 0 | 0 | 114.3 | |||||
| 662 | E | 28.7 | Very low | 28.7 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | -76.8 | 172 | -175 | -100.9 | -161.3 | 123.9 | 0 | 0 | 115.9 | ||||
| 663 | P | 31.5 | Very low | 28.5 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | cis | -147.6 | -178.1 | 30.8 | 44 | -23.8 | 0 | 0 | 0 | 120 | ||||
| 664 | C | 22 | Very low | 27.9 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | trans | 98.1 | 109.4 | 152.1 | -69.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 665 | N | 22.8 | Very low | 27.4 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | trans | -54.5 | 174.7 | 152.3 | -115.4 | -27.8 | 0 | 0 | 0 | 113.8 | ||||
| 666 | P | 36.8 | Very low | 27.1 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | cis | -141.4 | 165 | 0.4 | 39.6 | -20.7 | 0 | 0 | 0 | 118.8 | ||||
| 667 | G | 23.6 | Very low | 26.9 | Very low | 63 Ų | 63 | 135.1 Ų | 135.1 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | 89.3 | 151.3 | 128.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 668 | S | 26.5 | Very low | 27 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | trans | 58.5 | 127.8 | 171.7 | 42.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 669 | D | 24.2 | Very low | 26.9 | Very low | 152 Ų | 152 | 127 Ų | 127 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | cis | 70.1 | 144 | 33.5 | -155.7 | 18.5 | 0 | 0 | 0 | 115.2 | ||||
| 670 | D | 25.1 | Very low | 26.7 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | trans | 54.8 | 115.6 | -169.2 | -86.8 | -29.2 | 0 | 0 | 0 | 115.9 | ||||
| 671 | R | 25.6 | Very low | 25.7 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | 96.4 | 174.4 | 52.4 | -179.9 | -166.6 | 159.4 | -173.4 | -9 | 111.3 | E673 | R671-E673 IonicContact CZ-OE1 2.72Å; R671-E673 IonicContact NE-OE1 3.42Å; R671-E673 IonicContact NH2-OE1 3.36Å; R671-E673 PolarHBondContact NH2-OE1 3.02Å | |||
| 672 | M | 24.5 | Very low | 25.6 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | trans | 90.6 | 143.3 | 156.8 | -64.6 | -163.9 | 175.5 | 0 | 0 | 117.9 | ||||
| 673 | E | 25.3 | Very low | 25.2 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 59% | 0.593 | 73% | 0.726 | S | S | * | * | cis | -158.2 | 151.5 | -25.2 | -124.1 | 166.6 | -150.8 | 0 | 0 | 111.3 | R671 | R671-E673 IonicContact CZ-OE1 2.72Å; R671-E673 IonicContact NE-OE1 3.42Å; R671-E673 IonicContact NH2-OE1 3.36Å; R671-E673 PolarHBondContact NH2-OE1 3.02Å | ||
| 674 | V | 25.3 | Very low | 24.9 | Very low | 110 Ų | 110 | 128 Ų | 128 | 67% | 0.667 | 73% | 0.732 | S | S | * | * | trans | 35 | 133.9 | 131 | 168.9 | 0 | 0 | 0 | 0 | 121.5 | T676 | V674-T676 HydrophobicContact CG1-CG2 4.14Š| ||
| 675 | D | 25.6 | Very low | 24.9 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | trans | -145.2 | 133.8 | 134.8 | -125.3 | -21.1 | 0 | 0 | 0 | 107.3 | ||||
| 676 | T | 24.8 | Very low | 25 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 61% | 0.613 | 73% | 0.727 | S | S | * | * | cis | -171 | 134 | -22.8 | 18.9 | 0 | 0 | 0 | 0 | 103.3 | V674 | V674-T676 HydrophobicContact CG1-CG2 4.14Š| ||
| 677 | A | 23.7 | Very low | 24.6 | Very low | 85 Ų | 85 | 128 Ų | 128 | 70% | 0.702 | 72% | 0.722 | S | S | * | * | 73.8 | 157.7 | 82.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 678 | P | 32.5 | Very low | 24.9 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | cis | -141 | 138.5 | 25.9 | 38.3 | -17.2 | 0 | 0 | 0 | 120.1 | ||||
| 679 | V | 23.6 | Very low | 24.8 | Very low | 112 Ų | 112 | 134 Ų | 134 | 68% | 0.679 | 73% | 0.733 | S | S | * | * | 69.6 | 135.6 | 126.2 | -174.6 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 680 | W | 22.2 | Very low | 24.9 | Very low | 243 Ų | 243 | 134.7 Ų | 134.7 | 92% | 0.92 | 73% | 0.732 | S | S | * | * | -148.6 | 172.7 | 69 | -86.5 | 74.2 | 0 | 0 | 0 | 113.9 | |||||
| 681 | T | 21 | Very low | 24.9 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | -130.7 | 159.1 | -165.4 | 48.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 682 | A | 22.6 | Very low | 24.9 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | 153.2 | 129.4 | 129.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 683 | S | 20.5 | Very low | 25.1 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 26.7 | 131.5 | 138 | -147.6 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 684 | F | 24.1 | Very low | 25.1 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 82% | 0.82 | 76% | 0.762 | S | S | * | * | trans | 39.3 | 150 | 137.9 | -83.5 | -93.5 | 0 | 0 | 0 | 126.4 | ||||
| 685 | D | 22.4 | Very low | 25.2 | Very low | 142 Ų | 142 | 127.4 Ų | 127.4 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 102 | 140.1 | 149.1 | -74.8 | -24.7 | 0 | 0 | 0 | 124.1 | ||||
| 686 | D | 25.3 | Very low | 25.2 | Very low | 140 Ų | 140 | 124.9 Ų | 124.9 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | 57.2 | 109.4 | 159.5 | -82.7 | -32.6 | 0 | 0 | 0 | 125.4 | ||||
| 687 | V | 27.3 | Very low | 25.2 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 64% | 0.642 | 78% | 0.775 | S | S | * | * | 44.8 | 135.1 | 107.1 | 179.3 | 0 | 0 | 0 | 0 | 120.2 | M689 | V687-M689 HydrophobicContact CG1-CB 4.2Š| |||
| 688 | P | 30 | Very low | 25.3 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | -123 | 140.5 | 125.3 | 35.5 | -31.5 | 0 | 0 | 0 | 113.6 | |||||
| 689 | M | 26 | Very low | 25.1 | Very low | 170 Ų | 170 | 124.7 Ų | 124.7 | 84% | 0.837 | 78% | 0.781 | S | S | * | * | trans | -125.5 | 133 | 174.1 | 179.7 | -152.1 | -62.8 | 0 | 0 | 109.5 | V687 | V687-M689 HydrophobicContact CG1-CB 4.2Š| ||
| 690 | E | 25.4 | Very low | 25.5 | Very low | 168 Ų | 168 | 124.9 Ų | 124.9 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -177.1 | 151.9 | 156.7 | -91.2 | -120.5 | -166.4 | 0 | 0 | 107.7 | ||||
| 691 | T | 26 | Very low | 26.4 | Very low | 122 Ų | 122 | 118.5 Ų | 118.5 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | cis | -162.2 | 156.5 | -27.5 | 29.5 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 692 | G | 25.4 | Very low | 26.6 | Very low | 62 Ų | 62 | 117 Ų | 117 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | cis | 169.8 | 169 | -0.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 693 | S | 27.3 | Very low | 26.9 | Very low | 141 Ų | 141 | 118.6 Ų | 118.6 | 99% | 0.986 | 77% | 0.772 | S | S | * | * | trans | 66.4 | 144.1 | 174.4 | -53.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 694 | G | 25.3 | Very low | 28.1 | Very low | 71 Ų | 71 | 118.1 Ų | 118.1 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | cis | 165.8 | 162.1 | -6.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 695 | A | 27.3 | Very low | 28.2 | Very low | 101 Ų | 101 | 116.5 Ų | 116.5 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | 67.3 | 129.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 696 | A | 25.9 | Very low | 28.5 | Very low | 97 Ų | 97 | 113.5 Ų | 113.5 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | cis | 80.2 | 138.7 | 40.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 697 | A | 26.5 | Very low | 28.7 | Very low | 88 Ų | 88 | 112.5 Ų | 112.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -167.5 | 158.5 | -15 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 698 | A | 25.4 | Very low | 28.8 | Very low | 94 Ų | 94 | 112.8 Ų | 112.8 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | 65.8 | 161.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 699 | S | 28 | Very low | 29.4 | Very low | 110 Ų | 110 | 111.8 Ų | 111.8 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 74.8 | 91.2 | 156.6 | 55.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 700 | S | 32 | Very low | 29.5 | Very low | 115 Ų | 115 | 111.5 Ų | 111.5 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | -56.4 | 156.6 | 117.4 | -9.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 701 | P | 39.9 | Very low | 29.7 | Very low | 110 Ų | 110 | 108.1 Ų | 108.1 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | -153.1 | -171.1 | 63.1 | 40.9 | -20 | 0 | 0 | 0 | 116 | |||||
| 702 | S | 26.5 | Very low | 29.8 | Very low | 91 Ų | 91 | 107.4 Ų | 107.4 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | 64.4 | 127.3 | 158.8 | 47.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 703 | T | 28.9 | Very low | 29.9 | Very low | 132 Ų | 132 | 110.8 Ų | 110.8 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | cis | 65.1 | 156.9 | 40.5 | 82.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 704 | P | 45.8 | Very low | 30.1 | Very low | 98 Ų | 98 | 110 Ų | 110 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | cis | -127.7 | -167.4 | -9.1 | 39.6 | -22 | 0 | 0 | 0 | 113.4 | ||||
| 705 | D | 25.7 | Very low | 30.2 | Very low | 153 Ų | 153 | 111.2 Ų | 111.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 66.4 | 153.7 | 145.6 | -68.4 | -17.5 | 0 | 0 | 0 | 121.6 | ||||
| 706 | A | 28.1 | Very low | 30.4 | Very low | 79 Ų | 79 | 111 Ų | 111 | 65% | 0.653 | 76% | 0.76 | S | S | * | * | cis | -169.8 | -177 | -21.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 707 | S | 29.6 | Very low | 31.1 | Very low | 119 Ų | 119 | 112 Ų | 112 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | 72.4 | 107.4 | 160.2 | 66.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 708 | S | 30.2 | Very low | 31.9 | Very low | 112 Ų | 112 | 113 Ų | 113 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | -60.2 | 167.4 | 146.7 | -39.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 709 | P | 42.5 | Very low | 32 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | -153 | 143.7 | 97.7 | 37.1 | -18.7 | 0 | 0 | 0 | 118.6 | |||||
| 710 | L | 28.6 | Very low | 31.9 | Very low | 165 Ų | 165 | 116.7 Ų | 116.7 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | 69.9 | 146 | 134.6 | -76.1 | 166.2 | 0 | 0 | 0 | 124.7 | ||||
| 711 | S | 28.6 | Very low | 31.7 | Very low | 96 Ų | 96 | 115.7 Ų | 115.7 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | 87.2 | 67.9 | 146.9 | -62 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 712 | S | 27.5 | Very low | 31.1 | Very low | 107 Ų | 107 | 122.4 Ų | 122.4 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | 21.7 | 129.4 | 119.6 | 62.5 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 713 | T | 28.9 | Very low | 31 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | -157.6 | 122.6 | 133.4 | 6.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 714 | T | 30.1 | Very low | 30.8 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | 35.4 | 107.6 | 145.5 | 55 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 715 | A | 27.9 | Very low | 30 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | 79.2 | 119.7 | 114.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 716 | A | 31.6 | Very low | 30.5 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | 84.8 | 162.1 | 138.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 717 | P | 41.3 | Very low | 30.3 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | -137.8 | -154.6 | -127.3 | 39 | -15 | 0 | 0 | 0 | 113.3 | |||||
| 718 | P | 43.3 | Very low | 30.2 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | -126.5 | -174.1 | -52.1 | 28.3 | -8.3 | 0 | 0 | 0 | 114.3 | |||||
| 719 | E | 26.1 | Very low | 29.9 | Very low | 187 Ų | 187 | 123.2 Ų | 123.2 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 85.6 | 152.7 | 152.5 | -60.5 | -147.5 | 140.2 | 0 | 0 | 123.5 | ||||
| 720 | A | 27.7 | Very low | 29.5 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | 74.6 | 88.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 721 | A | 26 | Very low | 30.1 | Very low | 94 Ų | 94 | 122.5 Ų | 122.5 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -164.1 | 99.4 | 140.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 722 | W | 27.8 | Very low | 30 | Very low | 251 Ų | 251 | 120.8 Ų | 120.8 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | 83.2 | 118.9 | 87 | -83 | 38.4 | 0 | 0 | 0 | 115.2 | |||||
| 723 | N | 24.3 | Very low | 30.1 | Very low | 161 Ų | 161 | 123 Ų | 123 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -74 | 155.5 | 175.5 | -71 | -33.8 | 0 | 0 | 0 | 112.7 | ||||
| 724 | S | 25.2 | Very low | 30.4 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -145.5 | 137.2 | 155.2 | 56.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 725 | S | 28.4 | Very low | 30.4 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -140.3 | 146.3 | -175 | -49.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 726 | P | 35.8 | Very low | 30.6 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -123.7 | 135 | 143.5 | 8.4 | 13.8 | 0 | 0 | 0 | 110.3 | ||||
| 727 | A | 25.1 | Very low | 30.4 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | 72.9 | 135.5 | 75.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 728 | A | 27.5 | Very low | 29.9 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | cis | -168.6 | -168.7 | -6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 729 | A | 24.3 | Very low | 29.4 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | 88.2 | 123.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 730 | V | 33.4 | Very low | 30.1 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | 78.6 | 139.1 | 51.6 | 172.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 731 | P | 41.2 | Very low | 30.6 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | cis | -111.1 | -163.8 | 2.1 | 43.9 | -33.4 | 0 | 0 | 0 | 113 | ||||
| 732 | G | 26.8 | Very low | 30.9 | Very low | 60 Ų | 60 | 131.5 Ų | 131.5 | 62% | 0.619 | 80% | 0.797 | S | S | * | * | cis | 133.2 | 148.7 | -14.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 733 | T | 29.8 | Very low | 31.1 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 95% | 0.951 | 79% | 0.791 | S | S | * | * | trans | 68.6 | 148.3 | 177.9 | 44 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 734 | E | 34.3 | Very low | 31.5 | Very low | 188 Ų | 188 | 125.8 Ų | 125.8 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -120.5 | 156.8 | -169.9 | -56.2 | 172.6 | 151.2 | 0 | 0 | 113 | ||||
| 735 | T | 30.7 | Very low | 31.9 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 91% | 0.908 | 79% | 0.788 | S | S | * | * | trans | -142.3 | 106.6 | 154.8 | 53 | 0 | 0 | 0 | 0 | 109 | ||||
| 736 | G | 32.4 | Very low | 32 | Very low | 73 Ų | 73 | 128 Ų | 128 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -96.2 | 171.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 737 | W | 27.9 | Very low | 31.5 | Very low | 255 Ų | 255 | 127.7 Ų | 127.7 | 97% | 0.966 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -134.6 | 121.5 | 159.2 | -111.8 | 64 | 0 | 0 | 0 | 107.5 | ||
| 738 | A | 31 | Very low | 32.1 | Very low | 81 Ų | 81 | 128.5 Ų | 128.5 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | 65 | 129.3 | -172 | 0 | 0 | 0 | 0 | 0 | 117.1 | F740 | A738-F740 HydrophobicContact CB-CD2 4.4Å; A738-F740 HydrophobicContact CB-CE2 3.68Å; A738-F740 HydrophobicContact CB-CZ 4.04Å | ||
| 739 | D | 32 | Very low | 32.1 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | trans | -121.3 | 137.3 | 163.4 | 169.3 | 15.1 | 0 | 0 | 0 | 106.6 | S741 | D739-S741 VanDerWaalsContact CG-OG 3.29Å; D739-S741 WeakPolarHBondContact OD1-CB 3.32Å; D739-S741 PolarHBondContact OD1-N 3.43Å; D739-S741 PolarHBondContact OD1-OG 3.48Å; D739-S741 PolarHBondContact OD2-OG 2.86Å | ||
| 740 | F | 39.8 | Very low | 32.2 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 74% | 0.737 | 80% | 0.795 | S | S | * | * | trans | -113.8 | 9.7 | -175.8 | -71.3 | -79.8 | 0 | 0 | 0 | 113.5 | A738 S742 | A738-F740 HydrophobicContact CB-CD2 4.4Å; A738-F740 HydrophobicContact CB-CE2 3.68Å; A738-F740 HydrophobicContact CB-CZ 4.04Å; F740-S742 PolarHBondContact O-N 2.84Å | ||
| 741 | S | 39.1 | Very low | 32.6 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -73.5 | 8.4 | -172.9 | 65.9 | 0 | 0 | 0 | 0 | 116.1 | D739 | D739-S741 VanDerWaalsContact CG-OG 3.29Å; D739-S741 WeakPolarHBondContact OD1-CB 3.32Å; D739-S741 PolarHBondContact OD1-N 3.43Å; D739-S741 PolarHBondContact OD1-OG 3.48Å; D739-S741 PolarHBondContact OD2-OG 2.86Å | ||
| 742 | S | 32 | Very low | 31.9 | Very low | 95 Ų | 95 | 137 Ų | 137 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | -135.9 | 92.9 | -176.2 | 59.2 | 0 | 0 | 0 | 0 | 115.1 | F740 | F740-S742 PolarHBondContact O-N 2.84Š| ||
| 743 | F | 32.9 | Very low | 32 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -131.4 | 139.5 | 158.9 | -75.9 | -76.2 | 0 | 0 | 0 | 110.7 | ||||
| 744 | S | 32.5 | Very low | 31.9 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -115.5 | 147 | 176.3 | -66.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 745 | P | 33.4 | Very low | 31.6 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 137.1 | -175.2 | 28.8 | -35 | 0 | 0 | 0 | 112.1 | ||
| 746 | V | 29.8 | Very low | 31.5 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 138.1 | 179.6 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 747 | C | 25.1 | Very low | 31.4 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 136.8 | -179.3 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | K749 | C747-K749 PolarHBondContact O-N 3.25Š|
| 748 | P | 38.6 | Very low | 31.3 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -83.2 | 105.3 | -173.3 | 31.2 | -34.6 | 0 | 0 | 0 | 113.1 | ||||
| 749 | K | 27.6 | Very low | 31.1 | Very low | 197 Ų | 197 | 137.4 Ų | 137.4 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -170.1 | 80 | 163.7 | -111.2 | 163.7 | -173.8 | 175.6 | 0 | 113.5 | C747 | C747-K749 PolarHBondContact O-N 3.25Š| ||
| 750 | D | 25.8 | Very low | 30.9 | Very low | 160 Ų | 160 | 139.6 Ų | 139.6 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | 177.1 | 159.3 | 125.9 | -106 | -14.8 | 0 | 0 | 0 | 112.1 | |||||
| 751 | P | 42.2 | Very low | 30.3 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | trans | -97.1 | 130 | -171.5 | 35.4 | -32.5 | 0 | 0 | 0 | 114.5 | ||||
| 752 | L | 27 | Very low | 29.7 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -132.5 | 99 | 165.3 | -64.9 | 173.4 | 0 | 0 | 0 | 108 | ||||
| 753 | R | 27.4 | Very low | 29.3 | Very low | 225 Ų | 225 | 141.7 Ų | 141.7 | 85% | 0.849 | 81% | 0.808 | S | S | * | * | 59.2 | 98.8 | 87.5 | -81.1 | -169.9 | 165.1 | 163.5 | -3 | 114.3 | |||||
| 754 | C | 28 | Very low | 29.1 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | trans | -65.7 | 146.2 | 156.6 | -48 | 0 | 0 | 0 | 0 | 110 | ||||
| 755 | N | 27.6 | Very low | 28.7 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -124.1 | 112.7 | 168 | -85.8 | -16 | 0 | 0 | 0 | 109.8 | ||||
| 756 | S | 29.8 | Very low | 28.4 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -87.3 | 147.2 | 160.2 | -172.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 757 | P | 30.1 | Very low | 28.3 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 69% | 0.688 | 80% | 0.803 | S | S | * | * | trans | -88.1 | 148.3 | -177.6 | 34.5 | -34.7 | 0 | 0 | 0 | 114 | ||||
| 758 | V | 26.6 | Very low | 28.3 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | 75.6 | 126 | 171 | -166 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 759 | A | 26 | Very low | 27.9 | Very low | 90 Ų | 90 | 142.9 Ų | 142.9 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -154 | 153 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 760 | M | 26.9 | Very low | 27.9 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 84% | 0.837 | 80% | 0.8 | S | S | * | * | trans | 168.2 | 150.9 | 157 | -99.7 | -157.8 | -66.6 | 0 | 0 | 108.3 | ||||
| 761 | E | 28 | Very low | 27.8 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | cis | -167.4 | 147.2 | -25.2 | -137.1 | 177.4 | -130.7 | 0 | 0 | 107.8 | ||||
| 762 | T | 26.3 | Very low | 27.1 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | 177.1 | 125 | 133.6 | 21.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 763 | S | 24.4 | Very low | 27.2 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -102.7 | 159.2 | 166.4 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 764 | V | 27.2 | Very low | 27.1 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -131.5 | 116.5 | 160.5 | 179 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 765 | E | 25.5 | Very low | 27.5 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -84.6 | 153.8 | 176.7 | -58.6 | 179.3 | 124.2 | 0 | 0 | 111.6 | ||||
| 766 | T | 26.2 | Very low | 27.3 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -130.5 | 115.1 | 150.5 | 52.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 767 | I | 27.1 | Very low | 27.1 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 70% | 0.697 | 78% | 0.784 | S | S | * | * | trans | -64.5 | 146.5 | -176.6 | -68.1 | 152 | 0 | 0 | 0 | 112.9 | ||||
| 768 | D | 25.6 | Very low | 28 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -147.8 | 153.1 | 132.6 | -137.2 | 38.3 | 0 | 0 | 0 | 109.7 | ||||
| 769 | P | 30.7 | Very low | 28 | Very low | 81 Ų | 81 | 135.3 Ų | 135.3 | 53% | 0.526 | 77% | 0.774 | S | S | . | * | trans | -125.2 | -177.8 | -151.2 | 39.4 | -24.4 | 0 | 0 | 0 | 116.1 | ||||
| 770 | L | 27.1 | Very low | 27.9 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | 71 | 127.2 | 173.1 | -40.4 | 172.1 | 0 | 0 | 0 | 114.2 | ||||
| 771 | G | 24.7 | Very low | 27.8 | Very low | 68 Ų | 68 | 138.2 Ų | 138.2 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | cis | 151.4 | 168.7 | -1.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 772 | V | 27.5 | Very low | 27.9 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | 85.7 | 98.3 | 165.5 | -169.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 773 | N | 27.6 | Very low | 27.9 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | 48.5 | 112.6 | 132.3 | -55.4 | -19.9 | 0 | 0 | 0 | 124.1 | ||||
| 774 | A | 26.3 | Very low | 27.9 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | 63 | 175.1 | 114.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 775 | P | 36.6 | Very low | 28 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | -136 | 174.5 | -62.2 | 40.9 | -26.5 | 0 | 0 | 0 | 115.3 | |||||
| 776 | M | 23.1 | Very low | 28.1 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | 66.8 | 117.8 | 146.7 | -116.3 | -164.8 | -179.6 | 0 | 0 | 123.1 | ||||
| 777 | R | 24.5 | Very low | 28 | Very low | 220 Ų | 220 | 134.9 Ų | 134.9 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | trans | 80 | 168.7 | 130.2 | -94 | -164.5 | 178.5 | -147.8 | -2.6 | 120 | ||||
| 778 | P | 49.3 | Very low | 28 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | trans | -117.4 | -173.3 | -132.6 | 46.6 | -37.6 | 0 | 0 | 0 | 114.3 | ||||
| 779 | D | 26.6 | Very low | 28 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -166.9 | 131.4 | 139.7 | -90.2 | -18.7 | 0 | 0 | 0 | 108.1 | ||||
| 780 | E | 24.7 | Very low | 28 | Very low | 184 Ų | 184 | 135.3 Ų | 135.3 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | 69.1 | 120.4 | 93.6 | -65.2 | -165.3 | 164.4 | 0 | 0 | 117 | |||||
| 781 | C | 25.5 | Very low | 28.3 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -159.8 | 144.2 | 134 | -157.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 782 | D | 28.3 | Very low | 28.8 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -134.7 | 154.3 | -151.2 | -155.4 | 1.2 | 0 | 0 | 0 | 115.7 | ||||
| 783 | G | 26.9 | Very low | 28.7 | Very low | 57 Ų | 57 | 134.7 Ų | 134.7 | 59% | 0.588 | 80% | 0.796 | S | S | * | * | trans | 73.1 | 169.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 784 | W | 25.5 | Very low | 28.7 | Very low | 231 Ų | 231 | 133.4 Ų | 133.4 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | cis | -134.3 | 134.9 | 3.6 | -79.8 | 56.1 | 0 | 0 | 0 | 108.7 | ||||
| 785 | L | 28.9 | Very low | 28.6 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | 50.9 | 129.1 | 85 | -58 | 175 | 0 | 0 | 0 | 114.2 | |||||
| 786 | G | 26.5 | Very low | 28 | Very low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | cis | -170.9 | -164.6 | 1.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 787 | A | 25.7 | Very low | 28.1 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | cis | -161.5 | -176.9 | 5.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 788 | D | 25.4 | Very low | 28.1 | Very low | 153 Ų | 153 | 126.5 Ų | 126.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -58.8 | 153.6 | -165.8 | -45 | -82 | 0 | 0 | 0 | 120.1 | ||||
| 789 | V | 27.4 | Very low | 26.9 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -140.9 | 135.9 | 138.3 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 790 | A | 29.6 | Very low | 26.9 | Very low | 84 Ų | 84 | 127 Ų | 127 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | -111.4 | 156.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 791 | P | 34.5 | Very low | 26.8 | Very low | 121 Ų | 121 | 122.1 Ų | 122.1 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -85.9 | 153.9 | -169.3 | 33.8 | -36.5 | 0 | 0 | 0 | 114.8 | ||||
| 792 | P | 33.9 | Very low | 26.7 | Very low | 129 Ų | 129 | 127 Ų | 127 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -83.1 | 169.2 | 169.7 | 35.8 | -35.2 | 0 | 0 | 0 | 112.6 | ||||
| 793 | S | 25.1 | Very low | 26.6 | Very low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -136.8 | 178.5 | -172.7 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 794 | S | 27.7 | Very low | 26.5 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | 81.2 | 150 | -175.3 | 82.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 795 | S | 25 | Very low | 26.5 | Very low | 98 Ų | 98 | 121.6 Ų | 121.6 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | cis | -150.3 | 133.7 | 15.2 | 58.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 796 | S | 24.7 | Very low | 26.4 | Very low | 104 Ų | 104 | 118.3 Ų | 118.3 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 54 | 137.3 | 139.3 | 62.7 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 797 | S | 24.9 | Very low | 26.3 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 76.8 | 143.3 | 155.5 | 78.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 798 | T | 24.8 | Very low | 26.3 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | cis | -143.5 | 168 | 7 | -36.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 799 | D | 23.6 | Very low | 26.3 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | trans | -142.3 | 153.8 | -174.1 | -179.3 | 63.4 | 0 | 0 | 0 | 109 | ||||
| 800 | C | 25.7 | Very low | 26.3 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 72% | 0.716 | 80% | 0.796 | S | S | * | * | cis | -138.4 | 167.7 | 9 | 13.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 801 | G | 23.6 | Very low | 26.1 | Very low | 80 Ų | 80 | 124.8 Ų | 124.8 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -133.8 | 92.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 802 | R | 24.1 | Very low | 25.9 | Very low | 242 Ų | 242 | 127.4 Ų | 127.4 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | -93.9 | 109.1 | -172.9 | -179 | 176.8 | -179.6 | 167.5 | -0.1 | 112 | ||||
| 803 | A | 24.7 | Very low | 25.8 | Very low | 92 Ų | 92 | 128 Ų | 128 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 158.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 804 | V | 26.3 | Very low | 26.3 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 138.5 | -178 | 177 | 0 | 0 | 0 | 0 | 109.7 | ||
| 805 | A | 25.4 | Very low | 26.7 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 132.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 806 | A | 26.9 | Very low | 27.2 | Very low | 93 Ų | 93 | 130.6 Ų | 130.6 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -115.1 | 155.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | E808 | A806-E808 PolarHBondContact O-N 3.45Š| ||
| 807 | D | 23.8 | Very low | 28.1 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -66.5 | 128.3 | -177.5 | -69.9 | -60.8 | 0 | 0 | 0 | 112.4 | S809 | D807-S809 PolarHBondContact O-N 3.13Š| ||
| 808 | E | 25.3 | Very low | 28.9 | Very low | 196 Ų | 196 | 130.5 Ų | 130.5 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | trans | -82 | 101.4 | 161.6 | -74.5 | -171.4 | 149.2 | 0 | 0 | 109.4 | A806 S810 | A806-E808 PolarHBondContact O-N 3.45Å; E808-S810 PolarHBondContact O-N 3.26Å | ||
| 809 | S | 25.2 | Very low | 29.6 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -68.7 | 124.4 | 164.9 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | D807 C811 | D807-S809 PolarHBondContact O-N 3.13Å; S809-C811 PolarHBondContact O-N 3.44Å | ||
| 810 | S | 27.3 | Very low | 30.7 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | -72.5 | 96.7 | -174.6 | 60.5 | 0 | 0 | 0 | 0 | 112.8 | E808 | E808-S810 PolarHBondContact O-N 3.26Š| ||
| 811 | C | 24.8 | Very low | 31.2 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | trans | -101 | 142.4 | 165.3 | -69.6 | 0 | 0 | 0 | 0 | 110.4 | S809 E813 | S809-C811 PolarHBondContact O-N 3.44Å; C811-E813 PolarHBondContact O-N 2.9Å | ||
| 812 | L | 31.3 | Very low | 31.9 | Very low | 176 Ų | 176 | 127.9 Ų | 127.9 | 92% | 0.921 | 71% | 0.714 | S | S | * | * | trans | -85.2 | 102.3 | -176.4 | -74.4 | 162 | 0 | 0 | 0 | 111.1 | Q814 | L812-Q814 PolarHBondContact O-N 3.41Å; L812-Q814 VanDerWaalsContact O-N 3.11Å | ||
| 813 | E | 30.9 | Very low | 32.4 | Very low | 142 Ų | 142 | 121.6 Ų | 121.6 | 66% | 0.664 | 70% | 0.699 | S | S | * | * | trans | -68 | 101.4 | 166.1 | -77.2 | -168.7 | -177.5 | 0 | 0 | 110.8 | C811 R815 | C811-E813 PolarHBondContact O-N 2.9Å; E813-R815 IonicContact OE2-CZ 3.57Å; E813-R815 IonicContact OE2-NE 2.66Å; E813-R815 PolarHBondContact OE2-NE 3.14Å; E813-R815 IonicContact OE2-NH2 2.73Å; E813-R815 PolarHBondContact OE2-NH2 3.23Å | ||
| 814 | Q | 35.8 | Very low | 34.1 | Very low | 139 Ų | 139 | 120.6 Ų | 120.6 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | trans | -78.8 | 111.8 | 152.7 | -84.8 | -173.2 | -31.5 | 0 | 0 | 108.5 | L812 S816 | L812-Q814 PolarHBondContact O-N 3.41Å; L812-Q814 VanDerWaalsContact O-N 3.11Å; Q814-S816 PolarHBondContact O-N 2.97Å | ||
| 815 | R | 36.9 | Very low | 34.4 | Very low | 168 Ų | 168 | 118.1 Ų | 118.1 | 63% | 0.634 | 69% | 0.686 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.5 | 106.3 | 175.3 | -70.1 | -175.1 | 179.5 | -175.5 | -3 | 109.9 | E813 V834 | E813-R815 IonicContact OE2-CZ 3.57Å; E813-R815 IonicContact OE2-NE 2.66Å; E813-R815 PolarHBondContact OE2-NE 3.14Å; E813-R815 IonicContact OE2-NH2 2.73Å; E813-R815 PolarHBondContact OE2-NH2 3.23Å; R815-V834 PolarHBondContact O-N 3.31Å; R815-V834 VanDerWaalsContact O-N 3.15Å |
| 816 | S | 35.8 | Very low | 34.7 | Very low | 76 Ų | 76 | 116.9 Ų | 116.9 | 53% | 0.531 | 66% | 0.664 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98 | 132.3 | 164.3 | 52.7 | 0 | 0 | 0 | 0 | 110 | Q814 L832 | Q814-S816 PolarHBondContact O-N 2.97Å; S816-L832 CarbonylContact C-O 3.55Å; S816-L832 WeakPolarHBondContact CA-O 3.23Å |
| 817 | I | 43.4 | Very low | 35.6 | Very low | 115 Ų | 115 | 117.1 Ų | 117.1 | 59% | 0.59 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.2 | 121 | 171 | -63.3 | 171.9 | 0 | 0 | 0 | 106.4 | S831 L832 | I817-S831 CarbonylContact O-C 3.51Å; I817-S831 WeakPolarHBondContact O-CA 3.46Å; I817-L832 PolarHBondContact N-O 2.91Å; I817-L832 PolarHBondContact O-N 3.18Å |
| 818 | T | 42.3 | Very low | 36.4 | Very low | 98 Ų | 98 | 111.1 Ų | 111.1 | 60% | 0.601 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116.2 | 110.8 | -179.3 | 54.8 | 0 | 0 | 0 | 0 | 110.3 | V830 | T818-V830 WeakPolarHBondContact CA-O 2.94Å |
| 819 | E | 37.8 | Very low | 37.6 | Very low | 142 Ų | 142 | 103.8 Ų | 103.8 | 66% | 0.664 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98 | 146.3 | 169.7 | -169.4 | 163 | -161.4 | 0 | 0 | 109 | T829 V830 | E819-T829 WeakPolarHBondContact O-CA 3.12Å; E819-V830 PolarHBondContact N-O 2.94Å; E819-V830 PolarHBondContact O-N 2.66Å |
| 820 | T | 46.7 | Very low | 38.5 | Very low | 63 Ų | 63 | 101 Ų | 101 | 39% | 0.387 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -141 | 121.5 | -179.5 | -70.3 | 0 | 0 | 0 | 0 | 110 | K827 E828 T829 | T820-K827 HydrophobicContact CG2-CD 4.37Å; T820-K827 VanDerWaalsContact CG2-CE 3.43Å; T820-K827 HydrophobicContact CG2-CG 4.01Å; T820-E828 CarbonylContact C-O 3.59Å; T820-E828 VanDerWaalsContact CA-O 3.24Å; T820-E828 WeakPolarHBondContact CA-O 3.44Å; T820-T829 WeakPolarHBondContact OG1-CB 3.34Å; T820-T829 WeakPolarHBondContact OG1-CG2 3.33Å; T820-T829 PolarHBondContact OG1-OG1 3.12Å |
| 821 | V | 38 | Very low | 39.4 | Very low | 88 Ų | 88 | 96.6 Ų | 96.6 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 135.6 | -180 | -175.7 | 0 | 0 | 0 | 0 | 108 | E828 | V821-E828 PolarHBondContact N-O 2.93Å; V821-E828 PolarHBondContact O-N 3.36Å |
| 822 | I | 38.2 | Very low | 40.4 | Very low | 115 Ų | 115 | 93.1 Ų | 93.1 | 59% | 0.59 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.2 | 177.1 | -59 | 174.2 | 0 | 0 | 0 | 106.9 | K827 | I822-K827 HydrophobicContact CG1-CG 4.16Å |
| 823 | N | 33.9 | Very low | 41.7 | Very low | 110 Ų | 110 | 86.9 Ų | 86.9 | 59% | 0.588 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 106.7 | 177.1 | -168.5 | 16 | 0 | 0 | 0 | 108.7 | M826 | N823-M826 PolarHBondContact N-O 3.4Å; N823-M826 PolarHBondContact O-N 3.01Å |
| 824 | G | 60.3 | Low | 42.7 | Very low | 70 Ų | 70 | 83.1 Ų | 83.1 | 72% | 0.722 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | -136.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M826 | G824-M826 PolarHBondContact O-N 3.1Š|
| 825 | S | 32.2 | Very low | 43.6 | Very low | 87 Ų | 87 | 78.9 Ų | 78.9 | 61% | 0.608 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -0.8 | 177.4 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 826 | M | 31.3 | Very low | 44.2 | Very low | 73 Ų | 73 | 75.7 Ų | 75.7 | 36% | 0.36 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.4 | -176.2 | -144.6 | 172.8 | -161.5 | 0 | 0 | 111.2 | N823 G824 L847 | N823-M826 PolarHBondContact N-O 3.4Å; N823-M826 PolarHBondContact O-N 3.01Å; G824-M826 PolarHBondContact O-N 3.1Å; M826-L847 HydrophobicContact CE-CB 4.35Å; M826-L847 HydrophobicContact CE-CD2 4.07Å; M826-L847 HydrophobicContact CG-CD2 4.3Å; M826-L847 HydrophobicContact SD-CD2 4.07Å |
| 827 | K | 46.8 | Very low | 44.6 | Very low | 97 Ų | 97 | 81.3 Ų | 81.3 | 42% | 0.422 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.1 | 175.7 | -175.6 | 167.2 | -173.1 | 172.3 | 0 | 109.3 | T820 I822 K848 | T820-K827 HydrophobicContact CG2-CD 4.37Å; T820-K827 VanDerWaalsContact CG2-CE 3.43Å; T820-K827 HydrophobicContact CG2-CG 4.01Å; I822-K827 HydrophobicContact CG1-CG 4.16Å; K827-K848 PolarHBondContact N-O 3.12Å; K827-K848 PolarHBondContact O-N 3.46Å |
| 828 | E | 40.8 | Very low | 45.2 | Very low | 41 Ų | 41 | 79.9 Ų | 79.9 | 19% | 0.192 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.9 | 174.1 | -171 | 179.8 | 138.5 | 0 | 0 | 110 | T820 V821 V830 R845 V846 L847 | T820-E828 CarbonylContact C-O 3.59Å; T820-E828 VanDerWaalsContact CA-O 3.24Å; T820-E828 WeakPolarHBondContact CA-O 3.44Å; V821-E828 PolarHBondContact N-O 2.93Å; V821-E828 PolarHBondContact O-N 3.36Å; E828-V830 HydrophobicContact CG-CG2 4.44Å; E828-V830 WeakPolarHBondContact OE1-CG2 3.48Å; E828-R845 VanDerWaalsContact CD-NH2 3.33Å; E828-R845 HydrophobicContact CG-CG 4.29Å; E828-R845 IonicContact OE1-CZ 2.62Å; E828-R845 IonicContact OE1-NE 3.92Å; E828-R845 PolarHBondContact OE1-NE 3.16Å; E828-R845 IonicContact OE1-NH2 2.83Å; E828-R845 PolarHBondContact OE1-NH2 3.05Å; E828-R845 IonicContact OE2-CZ 2.89Å; E828-R845 IonicContact OE2-NE 2.75Å; E828-R845 PolarHBondContact OE2-NE 2.8Å; E828-R845 IonicContact OE2-NH2 3.75Å; E828-R845 PolarHBondContact OE2-NH2 2.78Å; E828-V846 WeakPolarHBondContact CA-O 3.28Å; E828-L847 HydrophobicContact CB-CD2 3.83Å; E828-L847 HydrophobicContact CG-CD2 3.88Å; E828-L847 HydrophobicContact CG-CG 4.2Å |
| 829 | T | 49.4 | Very low | 45.8 | Very low | 42 Ų | 42 | 84 Ų | 84 | 26% | 0.258 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.7 | 170.4 | -64.9 | 0 | 0 | 0 | 0 | 109.3 | E819 T820 V846 | E819-T829 WeakPolarHBondContact O-CA 3.12Å; T820-T829 WeakPolarHBondContact OG1-CB 3.34Å; T820-T829 WeakPolarHBondContact OG1-CG2 3.33Å; T820-T829 PolarHBondContact OG1-OG1 3.12Å; T829-V846 PolarHBondContact N-O 3.01Å; T829-V846 PolarHBondContact O-N 2.96Å |
| 830 | V | 43.9 | Very low | 45.8 | Very low | 47 Ų | 47 | 81 Ų | 81 | 29% | 0.285 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.3 | 172.4 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | T818 E819 E828 F843 R845 | T818-V830 WeakPolarHBondContact CA-O 2.94Å; E819-V830 PolarHBondContact N-O 2.94Å; E819-V830 PolarHBondContact O-N 2.66Å; E828-V830 HydrophobicContact CG-CG2 4.44Å; E828-V830 WeakPolarHBondContact OE1-CG2 3.48Å; V830-F843 HydrophobicContact CG1-CD1 4.31Å; V830-R845 HydrophobicContact CG2-CG 4.28Å |
| 831 | S | 47 | Very low | 45.8 | Very low | 27 Ų | 27 | 80.7 Ų | 80.7 | 19% | 0.189 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138 | 170.9 | 71.3 | 0 | 0 | 0 | 0 | 111.8 | I817 F843 K844 | I817-S831 CarbonylContact O-C 3.51Å; I817-S831 WeakPolarHBondContact O-CA 3.46Å; S831-F843 CarbonylContact O-C 3.56Å; S831-F843 WeakPolarHBondContact O-CA 3.45Å; S831-K844 PolarHBondContact N-O 3.38Å; S831-K844 PolarHBondContact O-N 2.94Å |
| 832 | L | 45.9 | Very low | 46.1 | Very low | 39 Ų | 39 | 80.8 Ų | 80.8 | 20% | 0.204 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 115.6 | 173.5 | 171.6 | 58.2 | 0 | 0 | 0 | 108.1 | S816 I817 V834 A841 V842 F843 | S816-L832 CarbonylContact C-O 3.55Å; S816-L832 WeakPolarHBondContact CA-O 3.23Å; I817-L832 PolarHBondContact N-O 2.91Å; I817-L832 PolarHBondContact O-N 3.18Å; L832-V834 HydrophobicContact CD1-CG2 4.31Å; L832-V834 HydrophobicContact CG-CG2 4.21Å; L832-A841 HydrophobicContact CD1-CB 3.97Å; L832-V842 WeakPolarHBondContact CA-O 3.38Å; L832-F843 HydrophobicContact CB-CD1 4.2Å; L832-F843 HydrophobicContact CB-CE1 4.03Å; L832-F843 HydrophobicContact CD1-CD1 4.11Å; L832-F843 HydrophobicContact CD1-CD2 3.93Å; L832-F843 HydrophobicContact CD1-CE1 3.86Å; L832-F843 HydrophobicContact CD1-CE2 3.67Å; L832-F843 HydrophobicContact CD1-CG 4.15Å; L832-F843 HydrophobicContact CD1-CZ 3.64Å; L832-F843 HydrophobicContact CD2-CE1 4.06Å; L832-F843 HydrophobicContact CD2-CZ 3.93Å; L832-F843 HydrophobicContact CG-CE1 4.2Å; L832-F843 HydrophobicContact CG-CZ 4.25Å |
| 833 | T | 57.8 | Low | 46.3 | Very low | 45 Ų | 45 | 82.3 Ų | 82.3 | 28% | 0.276 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.7 | 173.2 | -54.4 | 0 | 0 | 0 | 0 | 109.2 | A841 V842 | T833-A841 WeakPolarHBondContact O-CA 3.4Å; T833-V842 PolarHBondContact N-O 3Å; T833-V842 PolarHBondContact O-N 3.36Å |
| 834 | V | 52.4 | Low | 46.7 | Very low | 63 Ų | 63 | 83.7 Ų | 83.7 | 38% | 0.382 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.6 | -179.4 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | R815 L832 A841 | R815-V834 PolarHBondContact O-N 3.31Å; R815-V834 VanDerWaalsContact O-N 3.15Å; L832-V834 HydrophobicContact CD1-CG2 4.31Å; L832-V834 HydrophobicContact CG-CG2 4.21Å; V834-A841 HydrophobicContact CG2-CB 4.17Å |
| 835 | D | 55.7 | Low | 46.2 | Very low | 51 Ų | 51 | 88 Ų | 88 | 27% | 0.273 | 47% | 0.47 | S | S | . | . | trans | -92.9 | 112.9 | 170.2 | -168.4 | -58.2 | 0 | 0 | 0 | 110.1 | K837 T838 E839 T840 | D835-K837 PolarHBondContact O-N 2.99Å; D835-K837 WeakPolarHBondContact OD1-CA 3.35Å; D835-K837 VanDerWaalsContact OD1-CB 3.24Å; D835-K837 WeakPolarHBondContact OD1-CB 3.18Å; D835-K837 PolarHBondContact OD1-N 3.47Å; D835-T838 WeakPolarHBondContact CB-OG1 3.32Å; D835-T838 PolarHBondContact OD1-N 2.96Å; D835-T838 VanDerWaalsContact OD1-N 3.14Å; D835-T838 PolarHBondContact OD1-OG1 2.74Å; D835-E839 PolarHBondContact O-N 3.16Å; D835-T840 PolarHBondContact N-O 3.03Å | ||
| 836 | A | 48.5 | Very low | 46.7 | Very low | 101 Ų | 101 | 87.3 Ų | 87.3 | 84% | 0.835 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -1.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 837 | K | 44.2 | Very low | 46.6 | Very low | 193 Ų | 193 | 88.1 Ų | 88.1 | 84% | 0.839 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -24.6 | -176 | -163.8 | 179 | -177.5 | -178.9 | 0 | 112.7 | D835 | D835-K837 PolarHBondContact O-N 2.99Å; D835-K837 WeakPolarHBondContact OD1-CA 3.35Å; D835-K837 VanDerWaalsContact OD1-CB 3.24Å; D835-K837 WeakPolarHBondContact OD1-CB 3.18Å; D835-K837 PolarHBondContact OD1-N 3.47Å |
| 838 | T | 57.1 | Low | 46 | Very low | 86 Ų | 86 | 89.5 Ų | 89.5 | 53% | 0.528 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -5.5 | 172.8 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | D835 T840 | D835-T838 WeakPolarHBondContact CB-OG1 3.32Å; D835-T838 PolarHBondContact OD1-N 2.96Å; D835-T838 VanDerWaalsContact OD1-N 3.14Å; D835-T838 PolarHBondContact OD1-OG1 2.74Å; T838-T840 PolarHBondContact O-N 3.31Å; T838-T840 VanDerWaalsContact O-N 3.15Å; T838-T840 PolarHBondContact OG1-OG1 2.87Å |
| 839 | E | 53.1 | Low | 45.4 | Very low | 185 Ų | 185 | 91.3 Ų | 91.3 | 86% | 0.864 | 49% | 0.49 | S | S | * | . | trans | 59.2 | 13.8 | -171.6 | -56.6 | -170.8 | 165.2 | 0 | 0 | 114.1 | D835 | D835-E839 PolarHBondContact O-N 3.16Š| ||
| 840 | T | 38.3 | Very low | 44.6 | Very low | 77 Ų | 77 | 96.6 Ų | 96.6 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | trans | -92.3 | 130.9 | 180 | 56.5 | 0 | 0 | 0 | 0 | 111.9 | D835 T838 | D835-T840 PolarHBondContact N-O 3.03Å; T838-T840 PolarHBondContact O-N 3.31Å; T838-T840 VanDerWaalsContact O-N 3.15Å; T838-T840 PolarHBondContact OG1-OG1 2.87Å | ||
| 841 | A | 47.2 | Very low | 43.9 | Very low | 57 Ų | 57 | 104.7 Ų | 104.7 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L832 T833 V834 | L832-A841 HydrophobicContact CD1-CB 3.97Å; T833-A841 WeakPolarHBondContact O-CA 3.4Å; V834-A841 HydrophobicContact CG2-CB 4.17Å |
| 842 | V | 44.6 | Very low | 43 | Very low | 91 Ų | 91 | 110.5 Ų | 110.5 | 55% | 0.552 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.9 | 122.8 | -178.3 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | L832 T833 | L832-V842 WeakPolarHBondContact CA-O 3.38Å; T833-V842 PolarHBondContact N-O 3Å; T833-V842 PolarHBondContact O-N 3.36Å |
| 843 | F | 42.1 | Very low | 41.9 | Very low | 147 Ų | 147 | 115.9 Ų | 115.9 | 65% | 0.645 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.3 | 138.1 | 170.5 | -75 | -90.1 | 0 | 0 | 0 | 110.4 | V830 S831 L832 | V830-F843 HydrophobicContact CG1-CD1 4.31Å; S831-F843 CarbonylContact O-C 3.56Å; S831-F843 WeakPolarHBondContact O-CA 3.45Å; L832-F843 HydrophobicContact CB-CD1 4.2Å; L832-F843 HydrophobicContact CB-CE1 4.03Å; L832-F843 HydrophobicContact CD1-CD1 4.11Å; L832-F843 HydrophobicContact CD1-CD2 3.93Å; L832-F843 HydrophobicContact CD1-CE1 3.86Å; L832-F843 HydrophobicContact CD1-CE2 3.67Å; L832-F843 HydrophobicContact CD1-CG 4.15Å; L832-F843 HydrophobicContact CD1-CZ 3.64Å; L832-F843 HydrophobicContact CD2-CE1 4.06Å; L832-F843 HydrophobicContact CD2-CZ 3.93Å; L832-F843 HydrophobicContact CG-CE1 4.2Å; L832-F843 HydrophobicContact CG-CZ 4.25Å |
| 844 | K | 42.8 | Very low | 40.5 | Very low | 138 Ų | 138 | 122.4 Ų | 122.4 | 60% | 0.6 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -133.2 | 115.9 | 172.8 | -169.1 | 172.8 | -174.6 | 172.8 | 0 | 109.7 | S831 V846 | S831-K844 PolarHBondContact N-O 3.38Å; S831-K844 PolarHBondContact O-N 2.94Å; K844-V846 HydrophobicContact CG-CG2 4.39Å |
| 845 | R | 49.4 | Very low | 39.2 | Very low | 161 Ų | 161 | 128.5 Ų | 128.5 | 61% | 0.608 | 63% | 0.633 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100 | 129 | 177.6 | -170.7 | 176.1 | -167.1 | -166.6 | -1.7 | 108.9 | E828 V830 | E828-R845 VanDerWaalsContact CD-NH2 3.33Å; E828-R845 HydrophobicContact CG-CG 4.29Å; E828-R845 IonicContact OE1-CZ 2.62Å; E828-R845 IonicContact OE1-NE 3.92Å; E828-R845 PolarHBondContact OE1-NE 3.16Å; E828-R845 IonicContact OE1-NH2 2.83Å; E828-R845 PolarHBondContact OE1-NH2 3.05Å; E828-R845 IonicContact OE2-CZ 2.89Å; E828-R845 IonicContact OE2-NE 2.75Å; E828-R845 PolarHBondContact OE2-NE 2.8Å; E828-R845 IonicContact OE2-NH2 3.75Å; E828-R845 PolarHBondContact OE2-NH2 2.78Å; V830-R845 HydrophobicContact CG2-CG 4.28Å |
| 846 | V | 41.9 | Very low | 37.8 | Very low | 72 Ų | 72 | 134.2 Ų | 134.2 | 44% | 0.436 | 66% | 0.663 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.5 | 114 | 178.6 | -178.1 | 0 | 0 | 0 | 0 | 109 | E828 T829 K844 | E828-V846 WeakPolarHBondContact CA-O 3.28Å; T829-V846 PolarHBondContact N-O 3.01Å; T829-V846 PolarHBondContact O-N 2.96Å; K844-V846 HydrophobicContact CG-CG2 4.39Å |
| 847 | L | 30.6 | Very low | 36.6 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 47% | 0.471 | 65% | 0.654 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.3 | 130 | 173.3 | -81 | 159.2 | 0 | 0 | 0 | 109.5 | M826 E828 | M826-L847 HydrophobicContact CE-CB 4.35Å; M826-L847 HydrophobicContact CE-CD2 4.07Å; M826-L847 HydrophobicContact CG-CD2 4.3Å; M826-L847 HydrophobicContact SD-CD2 4.07Å; E828-L847 HydrophobicContact CB-CD2 3.83Å; E828-L847 HydrophobicContact CG-CD2 3.88Å; E828-L847 HydrophobicContact CG-CG 4.2Å |
| 848 | K | 33.1 | Very low | 35.9 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 55% | 0.548 | 66% | 0.655 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.3 | 119.9 | 174 | -130.1 | 179.2 | -176.6 | -175.7 | 0 | 109.7 | K827 | K827-K848 PolarHBondContact N-O 3.12Å; K827-K848 PolarHBondContact O-N 3.46Å |
| 849 | S | 29.4 | Very low | 34.4 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 56% | 0.559 | 67% | 0.67 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 138.1 | 170.1 | -175.4 | 0 | 0 | 0 | 0 | 109 | ||
| 850 | Y | 31.6 | Very low | 33.1 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 60% | 0.596 | 67% | 0.672 | S | S | * | * | trans | -103.4 | 131.1 | 167.5 | -73.4 | -97.6 | 0 | 0 | 0 | 108.3 | ||||
| 851 | R | 29 | Very low | 32.5 | Very low | 218 Ų | 218 | 132.3 Ų | 132.3 | 82% | 0.823 | 69% | 0.687 | S | S | * | * | trans | -126.7 | 121.8 | 171.4 | 178.7 | -170.4 | -82.6 | -161 | -5 | 106.4 | ||||
| 852 | D | 27.4 | Very low | 31.4 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -76.2 | 131.4 | 178.7 | -61.4 | -59.4 | 0 | 0 | 0 | 110.6 | ||||
| 853 | E | 24.7 | Very low | 30.5 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 71% | 0.71 | 72% | 0.723 | S | S | * | * | trans | -105.6 | 80.6 | 178.4 | -79.9 | -99 | 136.9 | 0 | 0 | 109.3 | K855 | E853-K855 PolarHBondContact O-N 2.79Š| ||
| 854 | E | 26.9 | Very low | 29.5 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | trans | -68.2 | 96.9 | 172.9 | -74.6 | -159.6 | 133.3 | 0 | 0 | 111.3 | L856 | E854-L856 PolarHBondContact O-N 3.35Š| ||
| 855 | K | 25.8 | Very low | 28.6 | Very low | 190 Ų | 190 | 145 Ų | 145 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | -79.5 | 95.7 | 169.5 | -80.7 | -177.5 | 176.3 | 171.8 | 0 | 111.3 | E853 G857 | E853-K855 PolarHBondContact O-N 2.79Å; K855-G857 PolarHBondContact O-N 3.21Å | ||
| 856 | L | 26.2 | Very low | 27.4 | Very low | 172 Ų | 172 | 146 Ų | 146 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 116.8 | 168.1 | -78.9 | 161.6 | 0 | 0 | 0 | 111.5 | E854 | E854-L856 PolarHBondContact O-N 3.35Š|
| 857 | G | 23.6 | Very low | 26.5 | Very low | 61 Ų | 61 | 147.8 Ų | 147.8 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 156.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K855 | K855-G857 PolarHBondContact O-N 3.21Š|
| 858 | P | 28.6 | Very low | 26.1 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 140.9 | -173 | 30.1 | -35.3 | 0 | 0 | 0 | 113 | ||
| 859 | S | 26 | Very low | 25.6 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 132.9 | 173.5 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 860 | E | 26.3 | Very low | 25.3 | Very low | 190 Ų | 190 | 151.5 Ų | 151.5 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 127.1 | 171.2 | -71.2 | -164.8 | 130.8 | 0 | 0 | 111 | ||
| 861 | A | 26 | Very low | 24.9 | Very low | 95 Ų | 95 | 151 Ų | 151 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 140 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 862 | F | 24 | Very low | 24.7 | Very low | 211 Ų | 211 | 144.5 Ų | 144.5 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | trans | -131.6 | 142.1 | 161.4 | -133.6 | -91.6 | 0 | 0 | 0 | 111.9 | ||||
| 863 | L | 24.5 | Very low | 24.6 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -84.3 | 135.3 | -160.5 | -68.8 | 163.3 | 0 | 0 | 0 | 113.5 | ||||
| 864 | L | 22.3 | Very low | 24.6 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -78.6 | 131.4 | 159.2 | -112.8 | 167.5 | 0 | 0 | 0 | 109.6 | ||||
| 865 | L | 23.6 | Very low | 24.6 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -137.1 | 101.6 | 169 | -166.1 | 85.6 | 0 | 0 | 0 | 109.3 | ||||
| 866 | E | 24.2 | Very low | 24.5 | Very low | 180 Ų | 180 | 139 Ų | 139 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | trans | -73.8 | 144.2 | 169.1 | -72.7 | -165 | 110.4 | 0 | 0 | 111.3 | ||||
| 867 | C | 22.1 | Very low | 24.5 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 75% | 0.75 | 81% | 0.814 | S | S | * | * | trans | -155.6 | 90.8 | 159.5 | -143.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 868 | T | 22.3 | Very low | 24.5 | Very low | 112 Ų | 112 | 138 Ų | 138 | 69% | 0.687 | 82% | 0.824 | S | S | * | * | trans | 48.1 | 123.2 | 139.9 | 61.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 869 | D | 22.7 | Very low | 24.3 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | 40.1 | 132.2 | 134 | -63.6 | -42.6 | 0 | 0 | 0 | 120.6 | ||||
| 870 | S | 23.6 | Very low | 24.2 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | -177.7 | 159.6 | 64.4 | 36.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 871 | T | 24.3 | Very low | 24.9 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | trans | -23.9 | 143.2 | 167.2 | 56.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 872 | G | 24.3 | Very low | 25 | Very low | 80 Ų | 80 | 137.1 Ų | 137.1 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -178.7 | 51 | 170 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 873 | N | 25.9 | Very low | 25.2 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | 8.6 | 119.8 | 157.5 | -82.1 | -10 | 0 | 0 | 0 | 122.8 | ||||
| 874 | S | 24.7 | Very low | 25.5 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | 86.8 | 145 | 115.4 | -153 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 875 | L | 25.5 | Very low | 25.8 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | 54.8 | 114.8 | 156.9 | -72.5 | 160 | 0 | 0 | 0 | 118.8 | ||||
| 876 | T | 24.7 | Very low | 26.3 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | -171.9 | 171.6 | 80 | 26 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 877 | S | 25 | Very low | 26.5 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -120.2 | 158.4 | -174.4 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 878 | A | 24.4 | Very low | 27.1 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | 67.4 | 140.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 879 | S | 23.6 | Very low | 28.5 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | cis | -162.2 | 167.1 | 19.4 | 47.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 880 | S | 25.2 | Very low | 29 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -151.2 | 160.7 | 167.8 | -83.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 881 | P | 40.1 | Very low | 29.5 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -102.6 | 172 | -142.2 | 38.3 | -37.5 | 0 | 0 | 0 | 118.3 | ||||
| 882 | N | 27.8 | Very low | 29.6 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -85.6 | 155.1 | -178.5 | -86.4 | -49.5 | 0 | 0 | 0 | 115.5 | ||||
| 883 | T | 28.9 | Very low | 30 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 91% | 0.908 | 79% | 0.791 | S | S | * | * | trans | 151.7 | 140.9 | 130.1 | 41 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 884 | G | 30 | Very low | 31.2 | Very low | 70 Ų | 70 | 128.9 Ų | 128.9 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | cis | 164.1 | 154.6 | -4.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 885 | E | 29.3 | Very low | 31.4 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -143.4 | -137 | 2 | -59.6 | 175.7 | 71.7 | 0 | 0 | 107.5 | ||||
| 886 | K | 34.8 | Very low | 31.4 | Very low | 158 Ų | 158 | 128.2 Ų | 128.2 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | cis | -169.8 | 151.4 | -9.7 | -125.8 | 156.3 | -178.1 | 148.1 | 0 | 104.6 | ||||
| 887 | C | 28.3 | Very low | 33.1 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 60% | 0.601 | 78% | 0.783 | S | S | * | * | cis | -171 | 132.6 | -9.7 | -136.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 888 | R | 33.4 | Very low | 33.4 | Very low | 228 Ų | 228 | 129.3 Ų | 129.3 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | 64.3 | 162.5 | 138 | -76.3 | -179.2 | -176.7 | -159.7 | -1.4 | 122.3 | ||||
| 889 | P | 52.8 | Low | 33.7 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | cis | -135.5 | -160.3 | -26.3 | 40.8 | -21.7 | 0 | 0 | 0 | 111.4 | ||||
| 890 | A | 33.2 | Very low | 34 | Very low | 88 Ų | 88 | 132.9 Ų | 132.9 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | cis | -167.5 | 144.8 | -33.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 891 | A | 33.3 | Very low | 34.2 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | 62 | 164.3 | 143.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 892 | E | 27.1 | Very low | 33.7 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | cis | -144.5 | 139.1 | 8.6 | -71.9 | -175.4 | 134.4 | 0 | 0 | 113.7 | ||||
| 893 | L | 31.6 | Very low | 33.7 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | 49.3 | 174.8 | 127 | -55.2 | 173.4 | 0 | 0 | 0 | 123.1 | |||||
| 894 | P | 52.1 | Low | 33.8 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 62% | 0.623 | 75% | 0.745 | S | S | * | * | -142.6 | -172.2 | -64.9 | 45.1 | -28.6 | 0 | 0 | 0 | 116.7 | |||||
| 895 | N | 28.8 | Very low | 33.8 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | trans | 80.5 | 133 | 151.1 | -67.1 | -14.6 | 0 | 0 | 0 | 123.8 | ||||
| 896 | G | 26.1 | Very low | 33.9 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | 120.1 | 119.9 | 132.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 897 | P | 60.1 | Low | 33.7 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | -120.4 | 168.9 | 177.9 | 41.5 | -31.9 | 0 | 0 | 0 | 115.5 | ||||
| 898 | L | 31.1 | Very low | 33.9 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | 177 | 128.4 | 137.6 | -98.3 | 162.4 | 0 | 0 | 0 | 116.5 | ||||
| 899 | K | 30.9 | Very low | 33.9 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | trans | 46.8 | 142.5 | 134.8 | -91.7 | -174.9 | 157.7 | -151.9 | 0 | 127.1 | ||||
| 900 | E | 30.3 | Very low | 32.7 | Very low | 133 Ų | 133 | 135 Ų | 135 | 62% | 0.621 | 76% | 0.755 | S | S | * | * | trans | 88.3 | 124.4 | 134.9 | -80.9 | 166.2 | -177.4 | 0 | 0 | 124.2 | ||||
| 901 | M | 28.2 | Very low | 32.7 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | trans | 47.1 | 148.5 | 134.6 | -67.5 | -178.3 | -178.6 | 0 | 0 | 122.1 | ||||
| 902 | S | 29.9 | Very low | 32.6 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | cis | -174.6 | 157.4 | -8.5 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 903 | N | 28.6 | Very low | 32.7 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 66.2 | 129.1 | 148.6 | -69.9 | 22 | 0 | 0 | 0 | 124.8 | ||||
| 904 | M | 29.2 | Very low | 32.6 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | trans | 73.9 | 126 | 131.4 | -66.1 | 163.4 | 75.3 | 0 | 0 | 123.5 | ||||
| 905 | E | 31.8 | Very low | 31.5 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | 47.2 | 139.9 | 125.6 | -52.7 | 174.8 | 141.4 | 0 | 0 | 119.6 | |||||
| 906 | D | 31.4 | Very low | 31.6 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | cis | -175.8 | -175.3 | 29.6 | -153.6 | -14 | 0 | 0 | 0 | 112.2 | ||||
| 907 | A | 30.2 | Very low | 31.9 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | 72 | 89.6 | 141.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 908 | K | 32.2 | Very low | 30.6 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | 41.5 | 144.1 | 115.3 | -106.9 | 178.6 | -179.4 | 172.7 | 0 | 123.7 | |||||
| 909 | L | 33.3 | Very low | 30.9 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 74.5 | 154.4 | 157.7 | -62.6 | 163.4 | 0 | 0 | 0 | 116.2 | ||||
| 910 | D | 27.7 | Very low | 31.2 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | cis | -142.8 | -169.5 | 8.6 | -144.7 | -33.3 | 0 | 0 | 0 | 113.5 | ||||
| 911 | R | 33.5 | Very low | 31.6 | Very low | 209 Ų | 209 | 141.6 Ų | 141.6 | 79% | 0.789 | 77% | 0.773 | S | S | * | * | trans | -103.1 | 169.2 | -161 | -171.3 | -177.9 | 171.6 | 171.3 | -0.1 | 114.6 | ||||
| 912 | N | 29.8 | Very low | 31.8 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 89.9 | 149.5 | 167.4 | -56.1 | -40.9 | 0 | 0 | 0 | 117.4 | ||||
| 913 | S | 30.5 | Very low | 32.8 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | cis | -176.7 | 163.5 | -21.6 | 59.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 914 | V | 29.4 | Very low | 33 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | 80 | 108.7 | 156.5 | 178.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 915 | S | 29.6 | Very low | 33.1 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | 30.5 | 133.8 | 146.8 | 72.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 916 | S | 30.7 | Very low | 33.2 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | -155 | 171.2 | 107.1 | -141.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 917 | E | 32.6 | Very low | 33.3 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -89.3 | 152.3 | -166.8 | -55.1 | 161.5 | 106.2 | 0 | 0 | 114 | ||||
| 918 | Q | 32.8 | Very low | 33.5 | Very low | 199 Ų | 199 | 142.2 Ų | 142.2 | 93% | 0.93 | 83% | 0.831 | S | S | * | * | -167.8 | 152.4 | 113.6 | -105.7 | 175.5 | 14.6 | 0 | 0 | 114.5 | |||||
| 919 | A | 36 | Very low | 33.6 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | -90.1 | 171.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 920 | V | 38.4 | Very low | 33.6 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 75% | 0.752 | 84% | 0.835 | S | S | * | * | cis | -159.8 | 155.5 | -3.4 | 99.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 921 | N | 36.9 | Very low | 34 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 87% | 0.872 | 84% | 0.839 | S | S | * | * | trans | -176.1 | 139 | 143.7 | -95.6 | -28.5 | 0 | 0 | 0 | 110.6 | ||||
| 922 | G | 33.9 | Very low | 34.1 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 84% | 0.843 | S | S | * | * | trans | -118.2 | -150.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 923 | P | 51.3 | Low | 34.4 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 88% | 0.877 | 85% | 0.852 | S | S | * | * | cis | -117.2 | 174.1 | 2.1 | 41 | -29.8 | 0 | 0 | 0 | 114 | ||||
| 924 | A | 30.9 | Very low | 34.8 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 100% | 1.463 | 87% | 0.867 | S | S | * | * | trans | -126.8 | 0 | 148.4 | 0 | 0 | 0 | 0 | 0 | 107 |
Retrieved 924 of 924 residues in 1397 ms
(Link to these results)