| 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 | 56.7 | Low | 79 | Confident | 160 Ų | 160 | 77.5 Ų | 77.5 | 79% | 0.788 | 43% | 0.426 | S | S | * | . | 0 | 135.4 | 0 | -74.9 | -172.4 | -86.6 | 0 | 0 | 107.3 | G35 | M1-G35 WeakPolarHBondContact CE-O 3.34Š| |||
| 2 | S | 61.5 | Low | 79.4 | Confident | 117 Ų | 117 | 71.2 Ų | 71.2 | 82% | 0.818 | 39% | 0.391 | S | S | * | . | trans | -94.3 | 112.2 | 176.7 | 53.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | A | 75.1 | Confident | 79.7 | Confident | 18 Ų | 18 | 75.5 Ų | 75.5 | 15% | 0.149 | 41% | 0.407 | C | S | . | . | trans | -84.8 | 135.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V28 C31 E38 | A3-V28 HydrophobicContact CB-CG1 4.2Å; A3-C31 HydrophobicContact CB-CB 3.61Å; A3-E38 WeakPolarHBondContact CA-OE1 3.47Å; A3-E38 HydrophobicContact CB-CG 4.28Å | ||
| 4 | S | 83.9 | Confident | 80 | Confident | 34 Ų | 34 | 78.4 Ų | 78.4 | 24% | 0.238 | 42% | 0.42 | C | S | . | . | trans | -92.4 | 122.2 | 179.1 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | Q6 Q7 L8 E38 | S4-Q6 PolarHBondContact O-N 3.01Å; S4-Q7 PolarHBondContact O-N 3Å; S4-L8 PolarHBondContact O-N 2.83Å; S4-L8 VanDerWaalsContact O-N 3.14Å; S4-E38 PolarHBondContact N-OE1 3.09Å | ||
| 5 | P | 84.4 | Confident | 80 | Confident | 67 Ų | 67 | 80.1 Ų | 80.1 | 44% | 0.435 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.1 | -33.8 | 176.7 | -20.4 | 28.6 | 0 | 0 | 0 | 113.2 | A9 I24 V28 | P5-A9 WeakPolarHBondContact O-CB 3.28Å; P5-A9 PolarHBondContact O-N 3.37Å; P5-A9 VanDerWaalsContact O-N 3.09Å; P5-I24 HydrophobicContact CB-CG2 3.97Å; P5-V28 HydrophobicContact CB-CG2 4.26Å; P5-V28 HydrophobicContact CG-CG2 4.1Å |
| 6 | Q | 83.5 | Confident | 79.6 | Confident | 152 Ų | 152 | 78.9 Ų | 78.9 | 71% | 0.71 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.5 | -42.9 | -178.5 | -68.9 | 176.9 | -11.6 | 0 | 0 | 111.7 | S4 L8 A9 E10 | S4-Q6 PolarHBondContact O-N 3.01Å; Q6-L8 VanDerWaalsContact C-N 3.35Å; Q6-A9 PolarHBondContact O-N 3.35Å; Q6-E10 WeakPolarHBondContact O-CG 3.36Å; Q6-E10 PolarHBondContact O-N 3.46Å; Q6-E10 VanDerWaalsContact O-N 3.08Å |
| 7 | Q | 83.1 | Confident | 79.5 | Confident | 104 Ų | 104 | 76.2 Ų | 76.2 | 49% | 0.486 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.9 | -36.6 | 177.9 | -69.8 | 178.6 | -46.4 | 0 | 0 | 111.4 | S4 A9 E10 E11 E38 | S4-Q7 PolarHBondContact O-N 3Å; Q7-A9 VanDerWaalsContact C-N 3.32Å; Q7-A9 PolarHBondContact O-N 2.96Å; Q7-E10 PolarHBondContact O-N 3.38Å; Q7-E11 WeakPolarHBondContact O-CG 3.45Å; Q7-E11 PolarHBondContact O-N 2.96Å; Q7-E38 HydrophobicContact CB-CG 4.4Å |
| 8 | L | 85.3 | Confident | 79 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.5 | -36 | 177.7 | -139.5 | 149.4 | 0 | 0 | 0 | 111.8 | S4 Q6 L12 L27 V28 E38 V42 | S4-L8 PolarHBondContact O-N 2.83Å; S4-L8 VanDerWaalsContact O-N 3.14Å; Q6-L8 VanDerWaalsContact C-N 3.35Å; L8-L12 HydrophobicContact CD2-CD1 3.89Å; L8-L12 HydrophobicContact CD2-CG 4.43Å; L8-L12 WeakPolarHBondContact O-CD1 3.5Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.1Å; L8-L12 PolarHBondContact O-N 3.37Å; L8-L12 VanDerWaalsContact O-N 3.08Å; L8-L27 HydrophobicContact CD1-CB 4.23Å; L8-L27 HydrophobicContact CD2-CB 3.66Å; L8-L27 HydrophobicContact CD2-CD1 3.79Å; L8-L27 HydrophobicContact CD2-CG 4.27Å; L8-V28 HydrophobicContact CD1-CG2 3.98Å; L8-E38 HydrophobicContact CB-CB 4.41Å; L8-E38 HydrophobicContact CB-CG 4.24Å; L8-E38 HydrophobicContact CD1-CB 4.32Å; L8-E38 HydrophobicContact CD1-CG 3.99Å; L8-E38 HydrophobicContact CG-CB 4.14Å; L8-E38 HydrophobicContact CG-CG 4.21Å; L8-V42 HydrophobicContact CD2-CG2 3.94Å; L8-V42 HydrophobicContact CG-CG2 4.31Å |
| 9 | A | 83.9 | Confident | 78.8 | Confident | 35 Ų | 35 | 77.4 Ų | 77.4 | 29% | 0.289 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P5 Q6 Q7 L12 Q13 I24 | P5-A9 WeakPolarHBondContact O-CB 3.28Å; P5-A9 PolarHBondContact O-N 3.37Å; P5-A9 VanDerWaalsContact O-N 3.09Å; Q6-A9 PolarHBondContact O-N 3.35Å; Q7-A9 VanDerWaalsContact C-N 3.32Å; Q7-A9 PolarHBondContact O-N 2.96Å; A9-L12 PolarHBondContact O-N 3.06Å; A9-Q13 WeakPolarHBondContact O-CB 3.4Å; A9-Q13 PolarHBondContact O-N 2.86Å; A9-I24 HydrophobicContact CB-CD1 3.93Å |
| 10 | E | 85.2 | Confident | 78.9 | Confident | 121 Ų | 121 | 80.8 Ų | 80.8 | 57% | 0.565 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.5 | -45.4 | 175.7 | -73.6 | 174 | 179.8 | 0 | 0 | 111.3 | Q6 Q7 Q13 I14 | Q6-E10 WeakPolarHBondContact O-CG 3.36Å; Q6-E10 PolarHBondContact O-N 3.46Å; Q6-E10 VanDerWaalsContact O-N 3.08Å; Q7-E10 PolarHBondContact O-N 3.38Å; E10-Q13 WeakPolarHBondContact O-CB 3.19Å; E10-Q13 PolarHBondContact O-N 2.95Å; E10-I14 WeakPolarHBondContact O-CG1 3.46Å; E10-I14 PolarHBondContact O-N 3.23Å |
| 11 | E | 86 | Confident | 78.9 | Confident | 45 Ų | 45 | 84.5 Ų | 84.5 | 21% | 0.21 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 178.1 | -73.3 | -59.4 | 135.7 | 0 | 0 | 112.7 | Q7 Q13 I14 F15 E39 V42 | Q7-E11 WeakPolarHBondContact O-CG 3.45Å; Q7-E11 PolarHBondContact O-N 2.96Å; E11-Q13 VanDerWaalsContact C-N 3.26Å; E11-Q13 PolarHBondContact O-N 2.9Å; E11-I14 WeakPolarHBondContact O-CB 3.12Å; E11-I14 PolarHBondContact O-N 2.94Å; E11-F15 VanDerWaalsContact O-CD2 3.3Å; E11-F15 WeakPolarHBondContact O-CD2 3.14Å; E11-E39 HydrophobicContact CG-CG 4.18Å; E11-V42 HydrophobicContact CB-CB 4.28Å; E11-V42 HydrophobicContact CB-CG1 4.3Å; E11-V42 HydrophobicContact CB-CG2 3.99Å |
| 12 | L | 84 | Confident | 80 | Confident | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.005 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -63.7 | -34.5 | 175.5 | -74.8 | 165.5 | 0 | 0 | 0 | 112.2 | L8 A9 I14 F15 G16 L17 C19 L27 V42 L45 | L8-L12 HydrophobicContact CD2-CD1 3.89Å; L8-L12 HydrophobicContact CD2-CG 4.43Å; L8-L12 WeakPolarHBondContact O-CD1 3.5Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.1Å; L8-L12 PolarHBondContact O-N 3.37Å; L8-L12 VanDerWaalsContact O-N 3.08Å; A9-L12 PolarHBondContact O-N 3.06Å; L12-I14 VanDerWaalsContact C-N 3.32Å; L12-I14 PolarHBondContact O-N 2.81Å; L12-F15 PolarHBondContact O-N 3.01Å; L12-G16 PolarHBondContact O-N 3.17Å; L12-L17 HydrophobicContact CB-CB 4.48Å; L12-L17 HydrophobicContact CD2-CB 4.47Å; L12-L17 HydrophobicContact CD2-CD1 4.21Å; L12-L17 PolarHBondContact O-N 2.99Å; L12-L17 VanDerWaalsContact O-N 3.1Å; L12-C19 HydrophobicContact CD1-CB 4.34Å; L12-L27 HydrophobicContact CD1-CD1 3.91Å; L12-V42 HydrophobicContact CD2-CG1 3.94Å; L12-V42 HydrophobicContact CD2-CG2 4.03Å; L12-V42 HydrophobicContact CG-CG1 4.33Å; L12-V42 HydrophobicContact CG-CG2 3.91Å; L12-L45 HydrophobicContact CD2-CD2 4.18Å |
| 13 | Q | 83.3 | Confident | 81 | Confident | 127 Ų | 127 | 75.1 Ų | 75.1 | 59% | 0.593 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.9 | -31.1 | 178.2 | -165.6 | 169.6 | 41.4 | 0 | 0 | 112.4 | A9 E10 E11 F15 G16 | A9-Q13 WeakPolarHBondContact O-CB 3.4Å; A9-Q13 PolarHBondContact O-N 2.86Å; E10-Q13 WeakPolarHBondContact O-CB 3.19Å; E10-Q13 PolarHBondContact O-N 2.95Å; E11-Q13 VanDerWaalsContact C-N 3.26Å; E11-Q13 PolarHBondContact O-N 2.9Å; Q13-F15 PolarHBondContact O-N 2.9Å; Q13-G16 PolarHBondContact O-N 3.27Å |
| 14 | I | 83.9 | Confident | 81.5 | Confident | 116 Ų | 116 | 75.2 Ų | 75.2 | 60% | 0.595 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -56.7 | -34.3 | 172.9 | -64.9 | 171.4 | 0 | 0 | 0 | 111.1 | E10 E11 L12 | E10-I14 WeakPolarHBondContact O-CG1 3.46Å; E10-I14 PolarHBondContact O-N 3.23Å; E11-I14 WeakPolarHBondContact O-CB 3.12Å; E11-I14 PolarHBondContact O-N 2.94Å; L12-I14 VanDerWaalsContact C-N 3.32Å; L12-I14 PolarHBondContact O-N 2.81Å |
| 15 | F | 79.8 | Confident | 81.6 | Confident | 104 Ų | 104 | 79.3 Ų | 79.3 | 46% | 0.456 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 9.5 | 179.2 | -62.3 | -80.4 | 0 | 0 | 0 | 113.8 | E11 L12 Q13 L17 V42 I46 | E11-F15 VanDerWaalsContact O-CD2 3.3Å; E11-F15 WeakPolarHBondContact O-CD2 3.14Å; L12-F15 PolarHBondContact O-N 3.01Å; Q13-F15 PolarHBondContact O-N 2.9Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-L17 PolarHBondContact O-N 2.6Å; F15-V42 HydrophobicContact CD2-CG1 3.86Å; F15-V42 HydrophobicContact CE2-CG1 4.04Å; F15-I46 HydrophobicContact CB-CD1 3.68Å; F15-I46 HydrophobicContact CB-CG1 4.07Å; F15-I46 HydrophobicContact CD1-CG1 4.13Å; F15-I46 HydrophobicContact CD1-CG2 4.23Å; F15-I46 HydrophobicContact CD2-CD1 4.46Å; F15-I46 HydrophobicContact CD2-CG1 4.01Å; F15-I46 HydrophobicContact CG-CD1 3.99Å; F15-I46 HydrophobicContact CG-CG1 3.79Å |
| 16 | G | 74.8 | Confident | 81.7 | Confident | 62 Ų | 62 | 78.1 Ų | 78.1 | 64% | 0.639 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 25.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L12 Q13 | L12-G16 PolarHBondContact O-N 3.17Å; Q13-G16 PolarHBondContact O-N 3.27Å |
| 17 | L | 77.4 | Confident | 81.8 | Confident | 33 Ų | 33 | 70.9 Ų | 70.9 | 17% | 0.173 | 38% | 0.375 | C | S | . | . | trans | -102.6 | 99.2 | 176.9 | -64.9 | -178 | 0 | 0 | 0 | 110.7 | L12 F15 C19 I46 L57 | L12-L17 HydrophobicContact CB-CB 4.48Å; L12-L17 HydrophobicContact CD2-CB 4.47Å; L12-L17 HydrophobicContact CD2-CD1 4.21Å; L12-L17 PolarHBondContact O-N 2.99Å; L12-L17 VanDerWaalsContact O-N 3.1Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-L17 PolarHBondContact O-N 2.6Å; L17-C19 PolarHBondContact O-N 3.42Å; L17-I46 HydrophobicContact CD1-CD1 3.31Å; L17-I46 HydrophobicContact CG-CD1 4.22Å; L17-L57 HydrophobicContact CD1-CD1 3.83Å | ||
| 18 | D | 70.8 | Confident | 82 | Confident | 143 Ų | 143 | 67.1 Ų | 67.1 | 77% | 0.765 | 36% | 0.359 | S | S | * | . | trans | -77.3 | 120.5 | 168.2 | -69.2 | -33.6 | 0 | 0 | 0 | 109.4 | ||||
| 19 | C | 75.1 | Confident | 82.1 | Confident | 31 Ų | 31 | 73.5 Ų | 73.5 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | trans | -118.8 | 144.8 | -175 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | L12 L17 I24 | L12-C19 HydrophobicContact CD1-CB 4.34Å; L17-C19 PolarHBondContact O-N 3.42Å; C19-I24 HydrophobicContact CB-CD1 4.46Å; C19-I24 HydrophobicContact CB-CG1 4.16Å | ||
| 20 | E | 80.1 | Confident | 82.2 | Confident | 146 Ų | 146 | 72 Ų | 72 | 68% | 0.682 | 38% | 0.376 | S | S | * | . | trans | -68.3 | 148.9 | 171.8 | -64 | -179.8 | 175.7 | 0 | 0 | 111 | A22 L23 I24 | E20-A22 PolarHBondContact O-N 2.99Å; E20-A22 VanDerWaalsContact O-N 3.15Å; E20-L23 HydrophobicContact CB-CD1 4.46Å; E20-L23 HydrophobicContact CB-CG 4.45Å; E20-L23 WeakPolarHBondContact O-CB 3.47Å; E20-L23 PolarHBondContact O-N 2.82Å; E20-I24 PolarHBondContact O-N 2.93Å | ||
| 21 | E | 78.7 | Confident | 82.3 | Confident | 158 Ų | 158 | 66.2 Ų | 66.2 | 74% | 0.738 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -54.2 | -37.3 | -178.1 | -163.8 | 168.2 | -163.4 | 0 | 0 | 112.3 | L23 I24 E25 | E21-L23 VanDerWaalsContact C-N 3.31Å; E21-L23 PolarHBondContact O-N 2.85Å; E21-I24 PolarHBondContact O-N 3.08Å; E21-E25 PolarHBondContact O-N 3.45Å |
| 22 | A | 80.8 | Confident | 82.2 | Confident | 64 Ų | 64 | 68.2 Ų | 68.2 | 53% | 0.529 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.2 | -29.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E20 K26 | E20-A22 PolarHBondContact O-N 2.99Å; E20-A22 VanDerWaalsContact O-N 3.15Å; A22-K26 PolarHBondContact O-N 2.94Å |
| 23 | L | 82.6 | Confident | 82.3 | Confident | 16 Ų | 16 | 73.4 Ų | 73.4 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -79.5 | -32.2 | 176.9 | -60.5 | 175.3 | 0 | 0 | 0 | 111.1 | E20 E21 K26 L27 L57 L62 | E20-L23 HydrophobicContact CB-CD1 4.46Å; E20-L23 HydrophobicContact CB-CG 4.45Å; E20-L23 WeakPolarHBondContact O-CB 3.47Å; E20-L23 PolarHBondContact O-N 2.82Å; E21-L23 VanDerWaalsContact C-N 3.31Å; E21-L23 PolarHBondContact O-N 2.85Å; L23-K26 PolarHBondContact O-N 2.84Å; L23-L27 PolarHBondContact O-N 3.45Å; L23-L57 HydrophobicContact CB-CD2 4.33Å; L23-L57 HydrophobicContact CD1-CD2 4.37Å; L23-L62 HydrophobicContact CB-CD1 4.03Å; L23-L62 HydrophobicContact CD2-CD1 3.85Å; L23-L62 HydrophobicContact CG-CD1 4.48Å |
| 24 | I | 84.4 | Confident | 82.3 | Confident | 21 Ų | 21 | 69.2 Ų | 69.2 | 11% | 0.108 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.1 | -43.8 | 175.4 | -63.6 | 166 | 0 | 0 | 0 | 109.8 | P5 A9 C19 E20 E21 K26 L27 V28 | P5-I24 HydrophobicContact CB-CG2 3.97Å; A9-I24 HydrophobicContact CB-CD1 3.93Å; C19-I24 HydrophobicContact CB-CD1 4.46Å; C19-I24 HydrophobicContact CB-CG1 4.16Å; E20-I24 PolarHBondContact O-N 2.93Å; E21-I24 PolarHBondContact O-N 3.08Å; I24-K26 VanDerWaalsContact C-N 3.3Å; I24-K26 PolarHBondContact O-N 3.21Å; I24-L27 PolarHBondContact O-N 3.48Å; I24-L27 VanDerWaalsContact O-N 3.14Å; I24-V28 WeakPolarHBondContact O-CG2 3.28Å; I24-V28 PolarHBondContact O-N 3.46Å |
| 25 | E | 85.7 | Confident | 82.2 | Confident | 120 Ų | 120 | 65.6 Ų | 65.6 | 56% | 0.561 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -56.9 | -45 | 174.7 | -73.6 | -176.8 | 164.6 | 0 | 0 | 111.7 | E21 L27 V28 E29 | E21-E25 PolarHBondContact O-N 3.45Å; E25-L27 VanDerWaalsContact C-N 3.34Å; E25-L27 PolarHBondContact O-N 2.95Å; E25-V28 WeakPolarHBondContact O-CB 3.44Å; E25-V28 PolarHBondContact O-N 3.17Å; E25-E29 PolarHBondContact O-N 3.25Å |
| 26 | K | 86.6 | Confident | 82.3 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64 | -37.7 | 176.5 | -171.3 | 173.7 | -177.4 | 174.3 | 0 | 113 | A22 L23 I24 V28 E29 L30 L62 N63 | A22-K26 PolarHBondContact O-N 2.94Å; L23-K26 PolarHBondContact O-N 2.84Å; I24-K26 VanDerWaalsContact C-N 3.3Å; I24-K26 PolarHBondContact O-N 3.21Å; K26-V28 VanDerWaalsContact C-N 3.34Å; K26-E29 WeakPolarHBondContact O-CB 3.38Å; K26-E29 PolarHBondContact O-N 2.9Å; K26-L30 WeakPolarHBondContact O-CG 3.39Å; K26-L30 PolarHBondContact O-N 2.86Å; K26-L62 HydrophobicContact CD-CB 4.47Å; K26-L62 HydrophobicContact CD-CD1 4.33Å; K26-N63 PolarHBondContact NZ-OD1 3.17Å |
| 27 | L | 85.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 174.7 | -84.1 | 165.7 | 0 | 0 | 0 | 112.2 | L8 L12 L23 I24 E25 E29 L30 C31 M41 L45 L57 L62 | L8-L27 HydrophobicContact CD1-CB 4.23Å; L8-L27 HydrophobicContact CD2-CB 3.66Å; L8-L27 HydrophobicContact CD2-CD1 3.79Å; L8-L27 HydrophobicContact CD2-CG 4.27Å; L12-L27 HydrophobicContact CD1-CD1 3.91Å; L23-L27 PolarHBondContact O-N 3.45Å; I24-L27 PolarHBondContact O-N 3.48Å; I24-L27 VanDerWaalsContact O-N 3.14Å; E25-L27 VanDerWaalsContact C-N 3.34Å; E25-L27 PolarHBondContact O-N 2.95Å; L27-E29 VanDerWaalsContact C-N 3.34Å; L27-L30 HydrophobicContact CD2-CD1 4.38Å; L27-L30 PolarHBondContact O-N 3.5Å; L27-C31 PolarHBondContact O-N 2.83Å; L27-C31 PolarHBondContact O-SG 3.02Å; L27-M41 HydrophobicContact CD2-CG 4.06Å; L27-L45 HydrophobicContact CD1-CD2 3.95Å; L27-L45 HydrophobicContact CD2-CD2 3.9Å; L27-L57 HydrophobicContact CD1-CD2 4.07Å; L27-L62 HydrophobicContact CD1-CD2 4.16Å; L27-L62 HydrophobicContact CD2-CD2 3.54Å; L27-L62 HydrophobicContact CG-CD1 4.3Å; L27-L62 HydrophobicContact CG-CD2 3.73Å |
| 28 | V | 87.8 | Confident | 83.3 | Confident | 26 Ų | 26 | 62 Ų | 62 | 16% | 0.158 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 172.7 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | A3 P5 L8 I24 E25 K26 L30 C31 V32 | A3-V28 HydrophobicContact CB-CG1 4.2Å; P5-V28 HydrophobicContact CB-CG2 4.26Å; P5-V28 HydrophobicContact CG-CG2 4.1Å; L8-V28 HydrophobicContact CD1-CG2 3.98Å; I24-V28 WeakPolarHBondContact O-CG2 3.28Å; I24-V28 PolarHBondContact O-N 3.46Å; E25-V28 WeakPolarHBondContact O-CB 3.44Å; E25-V28 PolarHBondContact O-N 3.17Å; K26-V28 VanDerWaalsContact C-N 3.34Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 3.42Å; V28-C31 WeakPolarHBondContact O-CB 3.06Å; V28-C31 PolarHBondContact O-N 3.32Å; V28-V32 WeakPolarHBondContact O-CG2 3.17Å; V28-V32 PolarHBondContact O-N 2.69Å; V28-V32 VanDerWaalsContact O-N 3.08Å |
| 29 | E | 87.2 | Confident | 84 | Confident | 133 Ų | 133 | 61.2 Ų | 61.2 | 62% | 0.621 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.5 | -45.2 | 173.1 | -69.5 | 179.1 | 168.3 | 0 | 0 | 111.7 | E25 K26 L27 C31 V32 Q33 | E25-E29 PolarHBondContact O-N 3.25Å; K26-E29 WeakPolarHBondContact O-CB 3.38Å; K26-E29 PolarHBondContact O-N 2.9Å; L27-E29 VanDerWaalsContact C-N 3.34Å; E29-C31 PolarHBondContact O-N 3.15Å; E29-V32 PolarHBondContact O-N 2.64Å; E29-Q33 WeakPolarHBondContact O-CB 3.33Å; E29-Q33 PolarHBondContact O-N 3.02Å |
| 30 | L | 86.5 | Confident | 84.5 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 176.6 | -67.4 | 174.7 | 0 | 0 | 0 | 112.1 | K26 L27 V28 V32 Q33 Y34 M41 E66 L70 | K26-L30 WeakPolarHBondContact O-CG 3.39Å; K26-L30 PolarHBondContact O-N 2.86Å; L27-L30 HydrophobicContact CD2-CD1 4.38Å; L27-L30 PolarHBondContact O-N 3.5Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 3.42Å; L30-V32 VanDerWaalsContact C-N 3.29Å; L30-V32 PolarHBondContact O-N 3.23Å; L30-Q33 PolarHBondContact O-N 3.14Å; L30-Y34 HydrophobicContact CB-CD2 4.43Å; L30-Y34 HydrophobicContact CD2-CD2 4.1Å; L30-Y34 HydrophobicContact CD2-CE2 3.67Å; L30-Y34 WeakPolarHBondContact O-CB 3.46Å; L30-Y34 VanDerWaalsContact O-CD2 3.32Å; L30-Y34 WeakPolarHBondContact O-CD2 3.34Å; L30-Y34 PolarHBondContact O-N 3.12Å; L30-M41 HydrophobicContact CB-CE 3.98Å; L30-M41 WeakPolarHBondContact O-CE 3.31Å; L30-E66 HydrophobicContact CD2-CB 4.13Å; L30-E66 VanDerWaalsContact CD2-CD 3.43Å; L30-E66 HydrophobicContact CD2-CG 3.7Å; L30-L70 HydrophobicContact CB-CD1 4.42Å; L30-L70 HydrophobicContact CD1-CD1 4.27Å; L30-L70 HydrophobicContact CD2-CD1 4.28Å |
| 31 | C | 86.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 175.4 | -73.3 | 0 | 0 | 0 | 0 | 111.5 | A3 L27 V28 E29 G35 Q36 M41 | A3-C31 HydrophobicContact CB-CB 3.61Å; L27-C31 PolarHBondContact O-N 2.83Å; L27-C31 PolarHBondContact O-SG 3.02Å; V28-C31 WeakPolarHBondContact O-CB 3.06Å; V28-C31 PolarHBondContact O-N 3.32Å; E29-C31 PolarHBondContact O-N 3.15Å; C31-G35 WeakPolarHBondContact O-CA 3.35Å; C31-G35 PolarHBondContact O-N 2.62Å; C31-Q36 PolarHBondContact O-N 3.47Å; C31-M41 WeakPolarHBondContact SG-CB 3.47Å; C31-M41 VanDerWaalsContact SG-CG 3.58Å |
| 32 | V | 85.5 | Confident | 85.3 | Confident | 86 Ų | 86 | 46.3 Ų | 46.3 | 52% | 0.521 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.2 | -46.6 | 177.2 | 175.9 | 0 | 0 | 0 | 0 | 111 | V28 E29 L30 Y34 G35 | V28-V32 WeakPolarHBondContact O-CG2 3.17Å; V28-V32 PolarHBondContact O-N 2.69Å; V28-V32 VanDerWaalsContact O-N 3.08Å; E29-V32 PolarHBondContact O-N 2.64Å; L30-V32 VanDerWaalsContact C-N 3.29Å; L30-V32 PolarHBondContact O-N 3.23Å; V32-Y34 PolarHBondContact O-N 3.14Å; V32-G35 PolarHBondContact O-N 3.07Å |
| 33 | Q | 85.6 | Confident | 85.5 | Confident | 110 Ų | 110 | 44.9 Ų | 44.9 | 51% | 0.514 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.3 | -38.2 | -176.4 | -177.5 | 177.8 | -20.5 | 0 | 0 | 112.9 | E29 L30 E66 | E29-Q33 WeakPolarHBondContact O-CB 3.33Å; E29-Q33 PolarHBondContact O-N 3.02Å; L30-Q33 PolarHBondContact O-N 3.14Å; Q33-E66 PolarHBondContact NE2-OE1 3.23Å |
| 34 | Y | 82.7 | Confident | 85.8 | Confident | 39 Ų | 39 | 45.8 Ų | 45.8 | 15% | 0.153 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -100.6 | 2.6 | -177.5 | -66.7 | -91.1 | 0 | 0 | 0 | 113.4 | L30 V32 Q36 E66 L70 L74 | L30-Y34 HydrophobicContact CB-CD2 4.43Å; L30-Y34 HydrophobicContact CD2-CD2 4.1Å; L30-Y34 HydrophobicContact CD2-CE2 3.67Å; L30-Y34 WeakPolarHBondContact O-CB 3.46Å; L30-Y34 VanDerWaalsContact O-CD2 3.32Å; L30-Y34 WeakPolarHBondContact O-CD2 3.34Å; L30-Y34 PolarHBondContact O-N 3.12Å; V32-Y34 PolarHBondContact O-N 3.14Å; Y34-Q36 PolarHBondContact O-N 2.98Å; Y34-E66 HydrophobicContact CE2-CG 4.09Å; Y34-E66 WeakPolarHBondContact OH-CG 3.4Å; Y34-E66 PolarHBondContact OH-OE1 2.61Å; Y34-L70 HydrophobicContact CD1-CB 3.78Å; Y34-L70 HydrophobicContact CD2-CB 4.33Å; Y34-L70 HydrophobicContact CD2-CD1 3.97Å; Y34-L70 VanDerWaalsContact CE1-C 3.44Å; Y34-L70 HydrophobicContact CE1-CB 3.48Å; Y34-L70 VanDerWaalsContact CE1-CB 3.48Å; Y34-L70 WeakPolarHBondContact CE1-O 3.25Å; Y34-L70 HydrophobicContact CE2-CB 4.09Å; Y34-L70 HydrophobicContact CE2-CD1 4.06Å; Y34-L70 HydrophobicContact CG-CB 4.22Å; Y34-L70 HydrophobicContact CG-CD1 4.34Å; Y34-L74 HydrophobicContact CD1-CB 4.4Å; Y34-L74 HydrophobicContact CD1-CD1 3.58Å; Y34-L74 HydrophobicContact CD1-CG 4.15Å; Y34-L74 HydrophobicContact CE1-CB 4.15Å; Y34-L74 HydrophobicContact CE1-CD1 3.43Å; Y34-L74 VanDerWaalsContact CE1-CD1 3.43Å; Y34-L74 HydrophobicContact CE1-CG 4.19Å; Y34-L74 HydrophobicContact CG-CD1 4.49Å |
| 35 | G | 82 | Confident | 85.9 | Confident | 41 Ų | 41 | 44.8 Ų | 44.8 | 42% | 0.423 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 45.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1 C31 V32 | M1-G35 WeakPolarHBondContact CE-O 3.34Å; C31-G35 WeakPolarHBondContact O-CA 3.35Å; C31-G35 PolarHBondContact O-N 2.62Å; V32-G35 PolarHBondContact O-N 3.07Å |
| 36 | Q | 82.6 | Confident | 86 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 9% | 0.089 | 23% | 0.225 | C | C | . | . | trans | -115.6 | 154.7 | 175.9 | -65.2 | -154.4 | 9.5 | 0 | 0 | 111.8 | C31 Y34 M41 E44 R73 | C31-Q36 PolarHBondContact O-N 3.47Å; Y34-Q36 PolarHBondContact O-N 2.98Å; Q36-M41 HydrophobicContact CB-CE 4.17Å; Q36-E44 VanDerWaalsContact NE2-CD 3.34Å; Q36-E44 PolarHBondContact NE2-OE1 2.78Å; Q36-E44 PolarHBondContact NE2-OE2 2.79Å; Q36-E44 VanDerWaalsContact NE2-OE2 3.1Å; Q36-E44 PolarHBondContact OE1-OE1 2.73Å; Q36-R73 VanDerWaalsContact NE2-CZ 3.3Å; Q36-R73 VanDerWaalsContact NE2-NH2 3.16Å | ||
| 37 | N | 86.9 | Confident | 85.9 | Confident | 76 Ų | 76 | 41.3 Ų | 41.3 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | trans | -79.3 | 164.9 | 167.8 | 66.2 | -17 | 0 | 0 | 0 | 110.8 | E39 G40 M41 | N37-E39 PolarHBondContact O-N 2.96Å; N37-G40 PolarHBondContact O-N 3.38Å; N37-G40 WeakPolarHBondContact OD1-CA 3.23Å; N37-G40 PolarHBondContact OD1-N 3.04Å; N37-G40 VanDerWaalsContact OD1-N 3.1Å; N37-M41 PolarHBondContact O-N 3.16Å | ||
| 38 | E | 85.4 | Confident | 86 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.3 | -46.9 | -175.3 | -60.3 | 87.2 | 163.4 | 0 | 0 | 111.5 | A3 S4 Q7 L8 G40 M41 V42 | A3-E38 WeakPolarHBondContact CA-OE1 3.47Å; A3-E38 HydrophobicContact CB-CG 4.28Å; S4-E38 PolarHBondContact N-OE1 3.09Å; Q7-E38 HydrophobicContact CB-CG 4.4Å; L8-E38 HydrophobicContact CB-CB 4.41Å; L8-E38 HydrophobicContact CB-CG 4.24Å; L8-E38 HydrophobicContact CD1-CB 4.32Å; L8-E38 HydrophobicContact CD1-CG 3.99Å; L8-E38 HydrophobicContact CG-CB 4.14Å; L8-E38 HydrophobicContact CG-CG 4.21Å; E38-G40 PolarHBondContact O-N 2.56Å; E38-M41 PolarHBondContact O-N 3.08Å; E38-V42 WeakPolarHBondContact O-CB 3.27Å; E38-V42 WeakPolarHBondContact O-CG2 3.5Å; E38-V42 PolarHBondContact O-N 3.02Å |
| 39 | E | 85.9 | Confident | 85.9 | Confident | 125 Ų | 125 | 41.1 Ų | 41.1 | 58% | 0.584 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.6 | -45 | 177.1 | -65.7 | 177.1 | -171.9 | 0 | 0 | 112.2 | E11 N37 G43 | E11-E39 HydrophobicContact CG-CG 4.18Å; N37-E39 PolarHBondContact O-N 2.96Å; E39-G43 PolarHBondContact O-N 3.46Å |
| 40 | G | 85.1 | Confident | 85.7 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -44.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N37 E38 G43 E44 | N37-G40 PolarHBondContact O-N 3.38Å; N37-G40 WeakPolarHBondContact OD1-CA 3.23Å; N37-G40 PolarHBondContact OD1-N 3.04Å; N37-G40 VanDerWaalsContact OD1-N 3.1Å; E38-G40 PolarHBondContact O-N 2.56Å; G40-G43 PolarHBondContact O-N 3.3Å; G40-E44 WeakPolarHBondContact O-CG 3.42Å; G40-E44 PolarHBondContact O-N 3.28Å |
| 41 | M | 87.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 179.1 | -173.9 | 63.3 | 74.3 | 0 | 0 | 111.7 | L27 L30 C31 Q36 N37 E38 E44 L45 F65 L70 | L27-M41 HydrophobicContact CD2-CG 4.06Å; L30-M41 HydrophobicContact CB-CE 3.98Å; L30-M41 WeakPolarHBondContact O-CE 3.31Å; C31-M41 WeakPolarHBondContact SG-CB 3.47Å; C31-M41 VanDerWaalsContact SG-CG 3.58Å; Q36-M41 HydrophobicContact CB-CE 4.17Å; N37-M41 PolarHBondContact O-N 3.16Å; E38-M41 PolarHBondContact O-N 3.08Å; M41-E44 PolarHBondContact O-N 3.29Å; M41-L45 WeakPolarHBondContact O-CB 3.45Å; M41-L45 PolarHBondContact O-N 3.37Å; M41-F65 HydrophobicContact SD-CE1 3.7Å; M41-F65 HydrophobicContact SD-CZ 4.12Å; M41-L70 HydrophobicContact CE-CD1 4.23Å; M41-L70 HydrophobicContact SD-CD1 3.97Å; M41-L70 HydrophobicContact SD-CD2 4.19Å |
| 42 | V | 88.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.1 | -45 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | L8 E11 L12 F15 E38 E44 L45 I46 | L8-V42 HydrophobicContact CD2-CG2 3.94Å; L8-V42 HydrophobicContact CG-CG2 4.31Å; E11-V42 HydrophobicContact CB-CB 4.28Å; E11-V42 HydrophobicContact CB-CG1 4.3Å; E11-V42 HydrophobicContact CB-CG2 3.99Å; L12-V42 HydrophobicContact CD2-CG1 3.94Å; L12-V42 HydrophobicContact CD2-CG2 4.03Å; L12-V42 HydrophobicContact CG-CG1 4.33Å; L12-V42 HydrophobicContact CG-CG2 3.91Å; F15-V42 HydrophobicContact CD2-CG1 3.86Å; F15-V42 HydrophobicContact CE2-CG1 4.04Å; E38-V42 WeakPolarHBondContact O-CB 3.27Å; E38-V42 WeakPolarHBondContact O-CG2 3.5Å; E38-V42 PolarHBondContact O-N 3.02Å; V42-E44 VanDerWaalsContact C-N 3.3Å; V42-E44 PolarHBondContact O-N 3.26Å; V42-L45 WeakPolarHBondContact O-CB 3.33Å; V42-L45 PolarHBondContact O-N 2.74Å; V42-I46 HydrophobicContact CG1-CG1 4.25Å; V42-I46 VanDerWaalsContact O-CG1 3.3Å; V42-I46 WeakPolarHBondContact O-CG1 3.23Å; V42-I46 PolarHBondContact O-N 3.46Å |
| 43 | G | 85.6 | Confident | 84.8 | Confident | 34 Ų | 34 | 49.3 Ų | 49.3 | 35% | 0.351 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.4 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E39 G40 A47 | E39-G43 PolarHBondContact O-N 3.46Å; G40-G43 PolarHBondContact O-N 3.3Å; G43-A47 WeakPolarHBondContact O-CB 3.44Å; G43-A47 PolarHBondContact O-N 3.48Å |
| 44 | E | 87.7 | Confident | 84.2 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 16% | 0.164 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70 | -38.6 | 177.2 | -75.1 | 176.8 | -152.1 | 0 | 0 | 112.9 | Q36 G40 M41 V42 A47 F48 F65 F69 R73 | Q36-E44 VanDerWaalsContact NE2-CD 3.34Å; Q36-E44 PolarHBondContact NE2-OE1 2.78Å; Q36-E44 PolarHBondContact NE2-OE2 2.79Å; Q36-E44 VanDerWaalsContact NE2-OE2 3.1Å; Q36-E44 PolarHBondContact OE1-OE1 2.73Å; G40-E44 WeakPolarHBondContact O-CG 3.42Å; G40-E44 PolarHBondContact O-N 3.28Å; M41-E44 PolarHBondContact O-N 3.29Å; V42-E44 VanDerWaalsContact C-N 3.3Å; V42-E44 PolarHBondContact O-N 3.26Å; E44-A47 PolarHBondContact O-N 3.03Å; E44-F48 WeakPolarHBondContact O-CB 3.13Å; E44-F48 PolarHBondContact O-N 2.82Å; E44-F65 HydrophobicContact CB-CE2 4.2Å; E44-F65 HydrophobicContact CB-CZ 3.88Å; E44-F69 HydrophobicContact CB-CE1 4.04Å; E44-F69 HydrophobicContact CG-CE1 4.17Å; E44-F69 WeakPolarHBondContact OE2-CE1 3.21Å; E44-R73 IonicContact OE1-CZ 3.45Å; E44-R73 IonicContact OE1-NH1 2.89Å; E44-R73 PolarHBondContact OE1-NH1 2.87Å; E44-R73 IonicContact OE1-NH2 3.12Å; E44-R73 IonicContact OE2-CZ 2.79Å; E44-R73 IonicContact OE2-NH1 2.76Å; E44-R73 PolarHBondContact OE2-NH1 3.28Å |
| 45 | L | 87 | Confident | 83.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 174.9 | -177.8 | 64.2 | 0 | 0 | 0 | 111.1 | L12 L27 M41 V42 F48 C49 L57 L62 F65 | L12-L45 HydrophobicContact CD2-CD2 4.18Å; L27-L45 HydrophobicContact CD1-CD2 3.95Å; L27-L45 HydrophobicContact CD2-CD2 3.9Å; M41-L45 WeakPolarHBondContact O-CB 3.45Å; M41-L45 PolarHBondContact O-N 3.37Å; V42-L45 WeakPolarHBondContact O-CB 3.33Å; V42-L45 PolarHBondContact O-N 2.74Å; L45-F48 PolarHBondContact O-N 3.26Å; L45-C49 WeakPolarHBondContact O-CB 3.4Å; L45-C49 PolarHBondContact O-N 3.25Å; L45-C49 PolarHBondContact O-SG 3.03Å; L45-L57 HydrophobicContact CD1-CD1 4.4Å; L45-L57 HydrophobicContact CD2-CD1 3.58Å; L45-L57 HydrophobicContact CD2-CD2 4.33Å; L45-L57 HydrophobicContact CG-CD1 4.05Å; L45-L62 HydrophobicContact CD1-CD2 3.9Å; L45-L62 HydrophobicContact CD2-CD2 4.18Å; L45-F65 HydrophobicContact CB-CE1 4.08Å; L45-F65 HydrophobicContact CB-CZ 4.05Å; L45-F65 HydrophobicContact CD1-CB 4.11Å; L45-F65 HydrophobicContact CD1-CD1 3.58Å; L45-F65 HydrophobicContact CD1-CD2 4.25Å; L45-F65 HydrophobicContact CD1-CE1 3.95Å; L45-F65 HydrophobicContact CD1-CG 3.72Å; L45-F65 HydrophobicContact CD1-CZ 4.45Å |
| 46 | I | 86.9 | Confident | 82.7 | Confident | 34 Ų | 34 | 52.2 Ų | 52.2 | 17% | 0.174 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.4 | -63.2 | -58.2 | 0 | 0 | 0 | 111 | F15 L17 V42 F48 C49 T50 | F15-I46 HydrophobicContact CB-CD1 3.68Å; F15-I46 HydrophobicContact CB-CG1 4.07Å; F15-I46 HydrophobicContact CD1-CG1 4.13Å; F15-I46 HydrophobicContact CD1-CG2 4.23Å; F15-I46 HydrophobicContact CD2-CD1 4.46Å; F15-I46 HydrophobicContact CD2-CG1 4.01Å; F15-I46 HydrophobicContact CG-CD1 3.99Å; F15-I46 HydrophobicContact CG-CG1 3.79Å; L17-I46 HydrophobicContact CD1-CD1 3.31Å; L17-I46 HydrophobicContact CG-CD1 4.22Å; V42-I46 HydrophobicContact CG1-CG1 4.25Å; V42-I46 VanDerWaalsContact O-CG1 3.3Å; V42-I46 WeakPolarHBondContact O-CG1 3.23Å; V42-I46 PolarHBondContact O-N 3.46Å; I46-F48 VanDerWaalsContact C-N 3.32Å; I46-F48 PolarHBondContact O-N 2.95Å; I46-C49 PolarHBondContact O-N 2.64Å; I46-T50 WeakPolarHBondContact O-CB 3.26Å; I46-T50 PolarHBondContact O-N 2.79Å; I46-T50 PolarHBondContact O-OG1 2.85Å |
| 47 | A | 86.2 | Confident | 82.3 | Confident | 54 Ų | 54 | 52.4 Ų | 52.4 | 45% | 0.446 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G43 E44 T50 S51 | G43-A47 WeakPolarHBondContact O-CB 3.44Å; G43-A47 PolarHBondContact O-N 3.48Å; E44-A47 PolarHBondContact O-N 3.03Å; A47-T50 PolarHBondContact O-N 3.48Å; A47-S51 WeakPolarHBondContact O-CB 3.4Å; A47-S51 PolarHBondContact O-N 3.06Å; A47-S51 PolarHBondContact O-OG 2.85Å |
| 48 | F | 87.3 | Confident | 82 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 4% | 0.039 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.2 | -49.4 | 176.2 | 177.5 | -103.1 | 0 | 0 | 0 | 112 | E44 L45 I46 T50 S51 T52 I61 F65 E68 F69 | E44-F48 WeakPolarHBondContact O-CB 3.13Å; E44-F48 PolarHBondContact O-N 2.82Å; L45-F48 PolarHBondContact O-N 3.26Å; I46-F48 VanDerWaalsContact C-N 3.32Å; I46-F48 PolarHBondContact O-N 2.95Å; F48-T50 VanDerWaalsContact C-N 3.29Å; F48-T50 PolarHBondContact O-N 2.8Å; F48-S51 PolarHBondContact O-N 3.15Å; F48-S51 PolarHBondContact O-OG 3.43Å; F48-T52 HydrophobicContact CD2-CG2 4.19Å; F48-T52 HydrophobicContact CE2-CG2 3.84Å; F48-T52 HydrophobicContact CZ-CG2 4.02Å; F48-T52 WeakPolarHBondContact O-CB 3.36Å; F48-T52 WeakPolarHBondContact O-CG2 3.49Å; F48-T52 PolarHBondContact O-N 3Å; F48-T52 PolarHBondContact O-OG1 3.25Å; F48-I61 HydrophobicContact CE1-CG2 4.47Å; F48-F65 HydrophobicContact CB-CD2 3.55Å; F48-F65 HydrophobicContact CB-CE2 3.85Å; F48-F65 HydrophobicContact CD1-CB 3.77Å; F48-F65 AromaticContact CD1-CD2 3.77Å; F48-F65 HydrophobicContact CD1-CD2 3.77Å; F48-F65 HydrophobicContact CD1-CG 4.18Å; F48-F65 HydrophobicContact CD2-CD2 4.16Å; F48-F65 HydrophobicContact CE1-CB 3.81Å; F48-F65 HydrophobicContact CG-CB 4.38Å; F48-F65 AromaticContact CG-CD2 3.56Å; F48-F65 HydrophobicContact CG-CD2 3.56Å; F48-F65 HydrophobicContact CG-CE2 4.34Å; F48-F65 HydrophobicContact CG-CG 4.41Å; F48-F65 HydrophobicContact CZ-CB 4.46Å; F48-E68 HydrophobicContact CE2-CB 4.38Å; F48-F69 HydrophobicContact CD2-CB 4.08Å; F48-F69 HydrophobicContact CD2-CG 4.46Å; F48-F69 HydrophobicContact CE2-CB 4.4Å |
| 49 | C | 84.7 | Confident | 81.8 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 9% | 0.088 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60 | -40.2 | 177.5 | -69.7 | 0 | 0 | 0 | 0 | 111.8 | L45 I46 T52 H53 K54 | L45-C49 WeakPolarHBondContact O-CB 3.4Å; L45-C49 PolarHBondContact O-N 3.25Å; L45-C49 PolarHBondContact O-SG 3.03Å; I46-C49 PolarHBondContact O-N 2.64Å; C49-T52 PolarHBondContact O-N 3.05Å; C49-H53 PolarHBondContact O-N 2.9Å; C49-K54 PolarHBondContact O-N 3.46Å |
| 50 | T | 83.6 | Confident | 81.5 | Confident | 94 Ų | 94 | 54.7 Ų | 54.7 | 58% | 0.577 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.5 | -45.8 | 176.9 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | I46 A47 F48 T52 H53 | I46-T50 WeakPolarHBondContact O-CB 3.26Å; I46-T50 PolarHBondContact O-N 2.79Å; I46-T50 PolarHBondContact O-OG1 2.85Å; A47-T50 PolarHBondContact O-N 3.48Å; F48-T50 VanDerWaalsContact C-N 3.29Å; F48-T50 PolarHBondContact O-N 2.8Å; T50-T52 VanDerWaalsContact C-N 3.3Å; T50-T52 PolarHBondContact O-N 3.13Å; T50-H53 PolarHBondContact O-N 3.41Å |
| 51 | S | 84.1 | Confident | 81.5 | Confident | 85 Ų | 85 | 54.3 Ų | 54.3 | 59% | 0.594 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -69 | -26.7 | -179.1 | 70.7 | 0 | 0 | 0 | 0 | 113.8 | A47 F48 | A47-S51 WeakPolarHBondContact O-CB 3.4Å; A47-S51 PolarHBondContact O-N 3.06Å; A47-S51 PolarHBondContact O-OG 2.85Å; F48-S51 PolarHBondContact O-N 3.15Å; F48-S51 PolarHBondContact O-OG 3.43Å |
| 52 | T | 80.1 | Confident | 81.4 | Confident | 46 Ų | 46 | 54.3 Ų | 54.3 | 28% | 0.282 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -100.7 | 1.8 | -177.7 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | F48 C49 T50 K54 | F48-T52 HydrophobicContact CD2-CG2 4.19Å; F48-T52 HydrophobicContact CE2-CG2 3.84Å; F48-T52 HydrophobicContact CZ-CG2 4.02Å; F48-T52 WeakPolarHBondContact O-CB 3.36Å; F48-T52 WeakPolarHBondContact O-CG2 3.49Å; F48-T52 PolarHBondContact O-N 3Å; F48-T52 PolarHBondContact O-OG1 3.25Å; C49-T52 PolarHBondContact O-N 3.05Å; T50-T52 VanDerWaalsContact C-N 3.3Å; T50-T52 PolarHBondContact O-N 3.13Å; T52-K54 PolarHBondContact O-N 3.11Å |
| 53 | H | 75.6 | Confident | 81.2 | Confident | 171 Ų | 171 | 57.3 Ų | 57.3 | 79% | 0.792 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 31.9 | -176.6 | -63.1 | -64.4 | 0 | 0 | 0 | 114.1 | C49 T50 | C49-H53 PolarHBondContact O-N 2.9Å; T50-H53 PolarHBondContact O-N 3.41Å |
| 54 | K | 73.9 | Confident | 81.1 | Confident | 71 Ų | 71 | 57 Ų | 57 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | trans | -89.7 | 128 | 177.9 | -61.2 | -170.9 | -170.6 | 176.6 | 0 | 109.6 | C49 T52 I61 S64 | C49-K54 PolarHBondContact O-N 3.46Å; T52-K54 PolarHBondContact O-N 3.11Å; K54-I61 HydrophobicContact CB-CD1 3.93Å; K54-I61 HydrophobicContact CB-CG1 4.42Å; K54-I61 HydrophobicContact CD-CD1 4.22Å; K54-I61 HydrophobicContact CD-CG1 3.8Å; K54-I61 HydrophobicContact CD-CG2 4.42Å; K54-S64 PolarHBondContact NZ-OG 2.87Å | ||
| 55 | V | 63.8 | Low | 81.1 | Confident | 146 Ų | 146 | 55.4 Ų | 55.4 | 89% | 0.885 | 32% | 0.324 | S | S | * | . | trans | -104.2 | 120.6 | -176.4 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 56 | G | 67.9 | Low | 81.2 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 90.4 | 156.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | I61 | G56-I61 WeakPolarHBondContact O-CD1 3.33Š|
| 57 | L | 75 | Confident | 81 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 12% | 0.12 | 35% | 0.35 | C | S | . | . | trans | -93.7 | 119.9 | 176.6 | -136.2 | 95.4 | 0 | 0 | 0 | 110.2 | L17 L23 L27 L45 L62 | L17-L57 HydrophobicContact CD1-CD1 3.83Å; L23-L57 HydrophobicContact CB-CD2 4.33Å; L23-L57 HydrophobicContact CD1-CD2 4.37Å; L27-L57 HydrophobicContact CD1-CD2 4.07Å; L45-L57 HydrophobicContact CD1-CD1 4.4Å; L45-L57 HydrophobicContact CD2-CD1 3.58Å; L45-L57 HydrophobicContact CD2-CD2 4.33Å; L45-L57 HydrophobicContact CG-CD1 4.05Å; L57-L62 HydrophobicContact CD2-CD1 3.87Å; L57-L62 HydrophobicContact CD2-CD2 4.17Å; L57-L62 HydrophobicContact CD2-CG 4.01Å | ||
| 58 | T | 81.3 | Confident | 80.9 | Confident | 63 Ų | 63 | 63.3 Ų | 63.3 | 39% | 0.387 | 35% | 0.35 | S | S | . | . | trans | -127.2 | 160.3 | 171.6 | 67.5 | 0 | 0 | 0 | 0 | 110.1 | E60 I61 L62 | T58-E60 PolarHBondContact O-N 3.18Å; T58-I61 HydrophobicContact CG2-CD1 4.47Å; T58-I61 PolarHBondContact O-N 3.3Å; T58-I61 WeakPolarHBondContact OG1-CG1 3.2Å; T58-I61 PolarHBondContact OG1-N 3Å; T58-L62 PolarHBondContact O-N 2.92Å; T58-L62 VanDerWaalsContact O-N 3.1Å | ||
| 59 | S | 79.8 | Confident | 80.6 | Confident | 62 Ų | 62 | 66.4 Ų | 66.4 | 43% | 0.434 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.3 | -33.3 | 177.3 | -174.5 | 0 | 0 | 0 | 0 | 112.6 | L62 N63 | S59-L62 PolarHBondContact O-N 2.88Å; S59-N63 PolarHBondContact O-N 3.16Å; S59-N63 PolarHBondContact O-ND2 3.28Å |
| 60 | E | 81 | Confident | 80.6 | Confident | 152 Ų | 152 | 65.9 Ų | 65.9 | 71% | 0.71 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.4 | -39.5 | 175.4 | -65.6 | 178.2 | 178.5 | 0 | 0 | 112.3 | T58 N63 S64 | T58-E60 PolarHBondContact O-N 3.18Å; E60-N63 PolarHBondContact O-N 2.94Å; E60-S64 PolarHBondContact O-N 3.47Å; E60-S64 PolarHBondContact O-OG 2.76Å |
| 61 | I | 83.5 | Confident | 80.5 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 7% | 0.072 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 178.1 | -66.3 | 170 | 0 | 0 | 0 | 110.7 | F48 K54 G56 T58 N63 S64 F65 | F48-I61 HydrophobicContact CE1-CG2 4.47Å; K54-I61 HydrophobicContact CB-CD1 3.93Å; K54-I61 HydrophobicContact CB-CG1 4.42Å; K54-I61 HydrophobicContact CD-CD1 4.22Å; K54-I61 HydrophobicContact CD-CG1 3.8Å; K54-I61 HydrophobicContact CD-CG2 4.42Å; G56-I61 WeakPolarHBondContact O-CD1 3.33Å; T58-I61 HydrophobicContact CG2-CD1 4.47Å; T58-I61 PolarHBondContact O-N 3.3Å; T58-I61 WeakPolarHBondContact OG1-CG1 3.2Å; T58-I61 PolarHBondContact OG1-N 3Å; I61-N63 VanDerWaalsContact C-N 3.34Å; I61-S64 PolarHBondContact O-N 3.32Å; I61-F65 WeakPolarHBondContact O-CB 3.42Å; I61-F65 PolarHBondContact O-N 2.6Å |
| 62 | L | 84.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 174.3 | -78.4 | 173.6 | 0 | 0 | 0 | 112.2 | L23 K26 L27 L45 L57 T58 S59 F65 E66 | L23-L62 HydrophobicContact CB-CD1 4.03Å; L23-L62 HydrophobicContact CD2-CD1 3.85Å; L23-L62 HydrophobicContact CG-CD1 4.48Å; K26-L62 HydrophobicContact CD-CB 4.47Å; K26-L62 HydrophobicContact CD-CD1 4.33Å; L27-L62 HydrophobicContact CD1-CD2 4.16Å; L27-L62 HydrophobicContact CD2-CD2 3.54Å; L27-L62 HydrophobicContact CG-CD1 4.3Å; L27-L62 HydrophobicContact CG-CD2 3.73Å; L45-L62 HydrophobicContact CD1-CD2 3.9Å; L45-L62 HydrophobicContact CD2-CD2 4.18Å; L57-L62 HydrophobicContact CD2-CD1 3.87Å; L57-L62 HydrophobicContact CD2-CD2 4.17Å; L57-L62 HydrophobicContact CD2-CG 4.01Å; T58-L62 PolarHBondContact O-N 2.92Å; T58-L62 VanDerWaalsContact O-N 3.1Å; S59-L62 PolarHBondContact O-N 2.88Å; L62-F65 PolarHBondContact O-N 3.25Å; L62-E66 PolarHBondContact O-N 3.25Å |
| 63 | N | 85 | Confident | 79.6 | Confident | 63 Ų | 63 | 68.7 Ų | 68.7 | 34% | 0.337 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 173 | -76 | -31.3 | 0 | 0 | 0 | 111.8 | K26 S59 E60 I61 F65 E66 H67 | K26-N63 PolarHBondContact NZ-OD1 3.17Å; S59-N63 PolarHBondContact O-N 3.16Å; S59-N63 PolarHBondContact O-ND2 3.28Å; E60-N63 PolarHBondContact O-N 2.94Å; I61-N63 VanDerWaalsContact C-N 3.34Å; N63-F65 VanDerWaalsContact C-N 3.32Å; N63-F65 PolarHBondContact O-N 3.46Å; N63-E66 PolarHBondContact O-N 2.72Å; N63-H67 PolarHBondContact O-CD2 3.29Å; N63-H67 VanDerWaalsContact O-CD2 3.23Å; N63-H67 PolarHBondContact O-N 3.01Å |
| 64 | S | 84.9 | Confident | 78.9 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 20% | 0.203 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 175.1 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | K54 E60 I61 H67 E68 | K54-S64 PolarHBondContact NZ-OG 2.87Å; E60-S64 PolarHBondContact O-N 3.47Å; E60-S64 PolarHBondContact O-OG 2.76Å; I61-S64 PolarHBondContact O-N 3.32Å; S64-H67 PolarHBondContact O-N 3.42Å; S64-E68 WeakPolarHBondContact O-CB 3.37Å; S64-E68 WeakPolarHBondContact O-CG 3.48Å; S64-E68 PolarHBondContact O-N 3.44Å |
| 65 | F | 87.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 178 | 175.6 | -121.1 | 0 | 0 | 0 | 111.5 | M41 E44 L45 F48 I61 L62 N63 F69 L70 | M41-F65 HydrophobicContact SD-CE1 3.7Å; M41-F65 HydrophobicContact SD-CZ 4.12Å; E44-F65 HydrophobicContact CB-CE2 4.2Å; E44-F65 HydrophobicContact CB-CZ 3.88Å; L45-F65 HydrophobicContact CB-CE1 4.08Å; L45-F65 HydrophobicContact CB-CZ 4.05Å; L45-F65 HydrophobicContact CD1-CB 4.11Å; L45-F65 HydrophobicContact CD1-CD1 3.58Å; L45-F65 HydrophobicContact CD1-CD2 4.25Å; L45-F65 HydrophobicContact CD1-CE1 3.95Å; L45-F65 HydrophobicContact CD1-CG 3.72Å; L45-F65 HydrophobicContact CD1-CZ 4.45Å; F48-F65 HydrophobicContact CB-CD2 3.55Å; F48-F65 HydrophobicContact CB-CE2 3.85Å; F48-F65 HydrophobicContact CD1-CB 3.77Å; F48-F65 AromaticContact CD1-CD2 3.77Å; F48-F65 HydrophobicContact CD1-CD2 3.77Å; F48-F65 HydrophobicContact CD1-CG 4.18Å; F48-F65 HydrophobicContact CD2-CD2 4.16Å; F48-F65 HydrophobicContact CE1-CB 3.81Å; F48-F65 HydrophobicContact CG-CB 4.38Å; F48-F65 AromaticContact CG-CD2 3.56Å; F48-F65 HydrophobicContact CG-CD2 3.56Å; F48-F65 HydrophobicContact CG-CE2 4.34Å; F48-F65 HydrophobicContact CG-CG 4.41Å; F48-F65 HydrophobicContact CZ-CB 4.46Å; I61-F65 WeakPolarHBondContact O-CB 3.42Å; I61-F65 PolarHBondContact O-N 2.6Å; L62-F65 PolarHBondContact O-N 3.25Å; N63-F65 VanDerWaalsContact C-N 3.32Å; N63-F65 PolarHBondContact O-N 3.46Å; F65-F69 HydrophobicContact CD2-CB 4.01Å; F65-F69 HydrophobicContact CD2-CD1 4.11Å; F65-F69 HydrophobicContact CD2-CG 4.31Å; F65-F69 HydrophobicContact CE2-CB 4.26Å; F65-F69 AromaticContact CE2-CD1 3.48Å; F65-F69 HydrophobicContact CE2-CD1 3.48Å; F65-F69 VanDerWaalsContact CE2-CD1 3.48Å; F65-F69 HydrophobicContact CE2-CE1 4.12Å; F65-F69 HydrophobicContact CE2-CG 4.11Å; F65-F69 HydrophobicContact CZ-CD1 4.26Å; F65-F69 VanDerWaalsContact O-CB 3.28Å; F65-F69 WeakPolarHBondContact O-CB 3.47Å; F65-F69 PolarHBondContact O-N 3.5Å; F65-F69 VanDerWaalsContact O-N 3.15Å; F65-L70 HydrophobicContact CD1-CD1 3.87Å; F65-L70 HydrophobicContact CD1-CG 4.21Å; F65-L70 HydrophobicContact CE1-CD1 3.57Å; F65-L70 HydrophobicContact CE1-CD2 4.13Å; F65-L70 HydrophobicContact CE1-CG 3.86Å; F65-L70 HydrophobicContact CE2-CD2 4.44Å; F65-L70 HydrophobicContact CE2-CG 4.37Å; F65-L70 HydrophobicContact CZ-CD1 4.15Å; F65-L70 HydrophobicContact CZ-CD2 3.85Å; F65-L70 HydrophobicContact CZ-CG 3.94Å; F65-L70 PolarHBondContact O-N 2.73Å; F65-L70 VanDerWaalsContact O-N 3.07Å |
| 66 | E | 88 | Confident | 77.9 | Confident | 32 Ų | 32 | 63.7 Ų | 63.7 | 15% | 0.15 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -61.6 | -52.8 | 176.1 | -173.4 | -178.9 | -177.4 | 0 | 0 | 111.8 | L30 Q33 Y34 L62 N63 L70 S71 | L30-E66 HydrophobicContact CD2-CB 4.13Å; L30-E66 VanDerWaalsContact CD2-CD 3.43Å; L30-E66 HydrophobicContact CD2-CG 3.7Å; Q33-E66 PolarHBondContact NE2-OE1 3.23Å; Y34-E66 HydrophobicContact CE2-CG 4.09Å; Y34-E66 WeakPolarHBondContact OH-CG 3.4Å; Y34-E66 PolarHBondContact OH-OE1 2.61Å; L62-E66 PolarHBondContact O-N 3.25Å; N63-E66 PolarHBondContact O-N 2.72Å; E66-L70 PolarHBondContact O-N 3.29Å; E66-S71 WeakPolarHBondContact O-CB 3.35Å; E66-S71 PolarHBondContact O-N 2.86Å |
| 67 | H | 84.3 | Confident | 77.2 | Confident | 124 Ų | 124 | 64.2 Ų | 64.2 | 57% | 0.574 | 33% | 0.328 | S | S | * | . | I | π-helix | trans | -74.2 | -40.8 | -173.5 | -75.6 | -64 | 0 | 0 | 0 | 113.5 | N63 S64 S71 | N63-H67 PolarHBondContact O-CD2 3.29Å; N63-H67 VanDerWaalsContact O-CD2 3.23Å; N63-H67 PolarHBondContact O-N 3.01Å; S64-H67 PolarHBondContact O-N 3.42Å; H67-S71 PolarHBondContact O-OG 3.12Å |
| 68 | E | 82.1 | Confident | 75.9 | Confident | 98 Ų | 98 | 72.3 Ų | 72.3 | 46% | 0.458 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -87.8 | -26.3 | -172.3 | -63.1 | 178.8 | -164.6 | 0 | 0 | 113.1 | F48 S64 K72 | F48-E68 HydrophobicContact CE2-CB 4.38Å; S64-E68 WeakPolarHBondContact O-CB 3.37Å; S64-E68 WeakPolarHBondContact O-CG 3.48Å; S64-E68 PolarHBondContact O-N 3.44Å; E68-K72 VanDerWaalsContact O-CD 3.24Å; E68-K72 WeakPolarHBondContact O-CD 3.26Å; E68-K72 WeakPolarHBondContact O-CE 3.42Å; E68-K72 PolarHBondContact O-NZ 2.89Å; E68-K72 VanDerWaalsContact O-NZ 3.15Å |
| 69 | F | 82.7 | Confident | 74.2 | Confident | 75 Ų | 75 | 76.6 Ų | 76.6 | 33% | 0.329 | 37% | 0.373 | S | S | . | . | I | π-helix | trans | -117.2 | -61.3 | -172.9 | -168.6 | -97.1 | 0 | 0 | 0 | 112.6 | E44 F48 F65 S71 K72 R73 | E44-F69 HydrophobicContact CB-CE1 4.04Å; E44-F69 HydrophobicContact CG-CE1 4.17Å; E44-F69 WeakPolarHBondContact OE2-CE1 3.21Å; F48-F69 HydrophobicContact CD2-CB 4.08Å; F48-F69 HydrophobicContact CD2-CG 4.46Å; F48-F69 HydrophobicContact CE2-CB 4.4Å; F65-F69 HydrophobicContact CD2-CB 4.01Å; F65-F69 HydrophobicContact CD2-CD1 4.11Å; F65-F69 HydrophobicContact CD2-CG 4.31Å; F65-F69 HydrophobicContact CE2-CB 4.26Å; F65-F69 AromaticContact CE2-CD1 3.48Å; F65-F69 HydrophobicContact CE2-CD1 3.48Å; F65-F69 VanDerWaalsContact CE2-CD1 3.48Å; F65-F69 HydrophobicContact CE2-CE1 4.12Å; F65-F69 HydrophobicContact CE2-CG 4.11Å; F65-F69 HydrophobicContact CZ-CD1 4.26Å; F65-F69 VanDerWaalsContact O-CB 3.28Å; F65-F69 WeakPolarHBondContact O-CB 3.47Å; F65-F69 PolarHBondContact O-N 3.5Å; F65-F69 VanDerWaalsContact O-N 3.15Å; F69-S71 PolarHBondContact O-N 3.42Å; F69-K72 PolarHBondContact O-N 3.45Å; F69-R73 PolarHBondContact O-N 3.45Å |
| 70 | L | 84.9 | Confident | 72.4 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | I | π-helix | trans | -66.2 | -42.2 | -174.1 | -64.9 | 177.8 | 0 | 0 | 0 | 112.6 | L30 Y34 M41 F65 E66 K72 R73 L74 | L30-L70 HydrophobicContact CB-CD1 4.42Å; L30-L70 HydrophobicContact CD1-CD1 4.27Å; L30-L70 HydrophobicContact CD2-CD1 4.28Å; Y34-L70 HydrophobicContact CD1-CB 3.78Å; Y34-L70 HydrophobicContact CD2-CB 4.33Å; Y34-L70 HydrophobicContact CD2-CD1 3.97Å; Y34-L70 VanDerWaalsContact CE1-C 3.44Å; Y34-L70 HydrophobicContact CE1-CB 3.48Å; Y34-L70 VanDerWaalsContact CE1-CB 3.48Å; Y34-L70 WeakPolarHBondContact CE1-O 3.25Å; Y34-L70 HydrophobicContact CE2-CB 4.09Å; Y34-L70 HydrophobicContact CE2-CD1 4.06Å; Y34-L70 HydrophobicContact CG-CB 4.22Å; Y34-L70 HydrophobicContact CG-CD1 4.34Å; M41-L70 HydrophobicContact CE-CD1 4.23Å; M41-L70 HydrophobicContact SD-CD1 3.97Å; M41-L70 HydrophobicContact SD-CD2 4.19Å; F65-L70 HydrophobicContact CD1-CD1 3.87Å; F65-L70 HydrophobicContact CD1-CG 4.21Å; F65-L70 HydrophobicContact CE1-CD1 3.57Å; F65-L70 HydrophobicContact CE1-CD2 4.13Å; F65-L70 HydrophobicContact CE1-CG 3.86Å; F65-L70 HydrophobicContact CE2-CD2 4.44Å; F65-L70 HydrophobicContact CE2-CG 4.37Å; F65-L70 HydrophobicContact CZ-CD1 4.15Å; F65-L70 HydrophobicContact CZ-CD2 3.85Å; F65-L70 HydrophobicContact CZ-CG 3.94Å; F65-L70 PolarHBondContact O-N 2.73Å; F65-L70 VanDerWaalsContact O-N 3.07Å; E66-L70 PolarHBondContact O-N 3.29Å; L70-K72 PolarHBondContact O-N 2.93Å; L70-R73 WeakPolarHBondContact O-CB 3.13Å; L70-R73 PolarHBondContact O-N 2.71Å; L70-R73 VanDerWaalsContact O-N 3.11Å; L70-L74 PolarHBondContact O-N 3.05Å |
| 71 | S | 80.3 | Confident | 70.3 | Confident | 47 Ų | 47 | 73.4 Ų | 73.4 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | -179.3 | 82.9 | 0 | 0 | 0 | 0 | 113.1 | E66 H67 F69 R73 L74 S75 | E66-S71 WeakPolarHBondContact O-CB 3.35Å; E66-S71 PolarHBondContact O-N 2.86Å; H67-S71 PolarHBondContact O-OG 3.12Å; F69-S71 PolarHBondContact O-N 3.42Å; S71-R73 VanDerWaalsContact C-N 3.27Å; S71-R73 PolarHBondContact O-N 2.96Å; S71-L74 PolarHBondContact O-N 2.98Å; S71-S75 PolarHBondContact O-N 3.36Å; S71-S75 VanDerWaalsContact O-N 3.16Å |
| 72 | K | 76.7 | Confident | 68 | Low | 127 Ų | 127 | 78.2 Ų | 78.2 | 55% | 0.552 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -69.8 | -26.4 | 174.9 | -66.4 | -173.7 | -168.6 | 150.7 | 0 | 112.2 | E68 F69 L70 S75 K76 | E68-K72 VanDerWaalsContact O-CD 3.24Å; E68-K72 WeakPolarHBondContact O-CD 3.26Å; E68-K72 WeakPolarHBondContact O-CE 3.42Å; E68-K72 PolarHBondContact O-NZ 2.89Å; E68-K72 VanDerWaalsContact O-NZ 3.15Å; F69-K72 PolarHBondContact O-N 3.45Å; L70-K72 PolarHBondContact O-N 2.93Å; K72-S75 WeakPolarHBondContact CA-OG 3.4Å; K72-S75 PolarHBondContact O-OG 2.84Å; K72-K76 PolarHBondContact O-N 2.75Å; K72-K76 VanDerWaalsContact O-N 3.13Å |
| 73 | R | 69.2 | Low | 65.7 | Low | 111 Ų | 111 | 84.9 Ų | 84.9 | 42% | 0.419 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -73.2 | -40.8 | 171.3 | -103.8 | -170.1 | 69.4 | 168 | -0.2 | 111.8 | Q36 E44 F69 L70 S71 S75 K76 A77 | Q36-R73 VanDerWaalsContact NE2-CZ 3.3Å; Q36-R73 VanDerWaalsContact NE2-NH2 3.16Å; E44-R73 IonicContact OE1-CZ 3.45Å; E44-R73 IonicContact OE1-NH1 2.89Å; E44-R73 PolarHBondContact OE1-NH1 2.87Å; E44-R73 IonicContact OE1-NH2 3.12Å; E44-R73 IonicContact OE2-CZ 2.79Å; E44-R73 IonicContact OE2-NH1 2.76Å; E44-R73 PolarHBondContact OE2-NH1 3.28Å; F69-R73 PolarHBondContact O-N 3.45Å; L70-R73 WeakPolarHBondContact O-CB 3.13Å; L70-R73 PolarHBondContact O-N 2.71Å; L70-R73 VanDerWaalsContact O-N 3.11Å; S71-R73 VanDerWaalsContact C-N 3.27Å; S71-R73 PolarHBondContact O-N 2.96Å; R73-S75 VanDerWaalsContact C-N 3.25Å; R73-S75 PolarHBondContact O-N 2.86Å; R73-K76 CarbonylContact O-C 3.59Å; R73-K76 PolarHBondContact O-N 2.86Å; R73-A77 WeakPolarHBondContact O-CB 3.47Å; R73-A77 PolarHBondContact O-N 3.05Å |
| 74 | L | 61.4 | Low | 63.1 | Low | 60 Ų | 60 | 89.3 Ų | 89.3 | 31% | 0.314 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.5 | -36.2 | 177.2 | -131.6 | 167 | 0 | 0 | 0 | 110.9 | Y34 L70 S71 R78 | Y34-L74 HydrophobicContact CD1-CB 4.4Å; Y34-L74 HydrophobicContact CD1-CD1 3.58Å; Y34-L74 HydrophobicContact CD1-CG 4.15Å; Y34-L74 HydrophobicContact CE1-CB 4.15Å; Y34-L74 HydrophobicContact CE1-CD1 3.43Å; Y34-L74 VanDerWaalsContact CE1-CD1 3.43Å; Y34-L74 HydrophobicContact CE1-CG 4.19Å; Y34-L74 HydrophobicContact CG-CD1 4.49Å; L70-L74 PolarHBondContact O-N 3.05Å; S71-L74 PolarHBondContact O-N 2.98Å; L74-R78 HydrophobicContact CD2-CG 4.37Å; L74-R78 WeakPolarHBondContact O-CB 3.32Å; L74-R78 WeakPolarHBondContact O-CG 3.35Å; L74-R78 PolarHBondContact O-N 3.4Å |
| 75 | S | 58.8 | Low | 60.6 | Low | 62 Ų | 62 | 93.2 Ų | 93.2 | 43% | 0.434 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 172 | 65.1 | 0 | 0 | 0 | 0 | 112.9 | S71 K72 R73 H79 | S71-S75 PolarHBondContact O-N 3.36Å; S71-S75 VanDerWaalsContact O-N 3.16Å; K72-S75 WeakPolarHBondContact CA-OG 3.4Å; K72-S75 PolarHBondContact O-OG 2.84Å; R73-S75 VanDerWaalsContact C-N 3.25Å; R73-S75 PolarHBondContact O-N 2.86Å; S75-H79 PolarHBondContact O-CD2 3.04Å; S75-H79 PolarHBondContact O-N 3.25Å |
| 76 | K | 56.4 | Low | 58.2 | Low | 161 Ų | 161 | 96.7 Ų | 96.7 | 70% | 0.7 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.5 | -36.4 | 174.3 | -86 | -176.9 | 174.9 | 179.6 | 0 | 113.9 | K72 R73 H79 S80 | K72-K76 PolarHBondContact O-N 2.75Å; K72-K76 VanDerWaalsContact O-N 3.13Å; R73-K76 CarbonylContact O-C 3.59Å; R73-K76 PolarHBondContact O-N 2.86Å; K76-H79 CarbonylContact O-C 3.55Å; K76-H79 WeakPolarHBondContact O-CB 3.21Å; K76-H79 PolarHBondContact O-N 3.35Å; K76-S80 PolarHBondContact O-N 2.86Å |
| 77 | A | 54.5 | Low | 55.5 | Low | 45 Ų | 45 | 102.6 Ų | 102.6 | 37% | 0.372 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.4 | -33.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R73 H79 S80 A81 | R73-A77 WeakPolarHBondContact O-CB 3.47Å; R73-A77 PolarHBondContact O-N 3.05Å; A77-H79 VanDerWaalsContact C-N 3.3Å; A77-S80 WeakPolarHBondContact CA-OG 3.49Å; A77-S80 PolarHBondContact O-N 2.85Å; A77-S80 PolarHBondContact O-OG 2.68Å; A77-S80 VanDerWaalsContact O-OG 3.13Å; A77-A81 VanDerWaalsContact O-CB 3.26Å; A77-A81 WeakPolarHBondContact O-CB 3.2Å; A77-A81 PolarHBondContact O-N 2.98Å |
| 78 | R | 47.4 | Very low | 53 | Low | 193 Ų | 193 | 99.8 Ų | 99.8 | 73% | 0.728 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.1 | -33.5 | 168.3 | -77.4 | 179.4 | 175.2 | -172.2 | -0.7 | 112.3 | L74 | L74-R78 HydrophobicContact CD2-CG 4.37Å; L74-R78 WeakPolarHBondContact O-CB 3.32Å; L74-R78 WeakPolarHBondContact O-CG 3.35Å; L74-R78 PolarHBondContact O-N 3.4Å |
| 79 | H | 45.4 | Very low | 50.9 | Low | 153 Ų | 153 | 98.1 Ų | 98.1 | 71% | 0.708 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74.6 | -24.7 | 172.3 | -74.6 | -61.9 | 0 | 0 | 0 | 113.9 | S75 K76 A77 | S75-H79 PolarHBondContact O-CD2 3.04Å; S75-H79 PolarHBondContact O-N 3.25Å; K76-H79 CarbonylContact O-C 3.55Å; K76-H79 WeakPolarHBondContact O-CB 3.21Å; K76-H79 PolarHBondContact O-N 3.35Å; A77-H79 VanDerWaalsContact C-N 3.3Å |
| 80 | S | 41 | Very low | 48.9 | Very low | 70 Ų | 70 | 100 Ų | 100 | 49% | 0.49 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -91.2 | -29.9 | 176.5 | 67.6 | 0 | 0 | 0 | 0 | 114 | K76 A77 C82 K83 | K76-S80 PolarHBondContact O-N 2.86Å; A77-S80 WeakPolarHBondContact CA-OG 3.49Å; A77-S80 PolarHBondContact O-N 2.85Å; A77-S80 PolarHBondContact O-OG 2.68Å; A77-S80 VanDerWaalsContact O-OG 3.13Å; S80-C82 PolarHBondContact O-N 2.96Å; S80-K83 WeakPolarHBondContact O-CA 3.45Å; S80-K83 VanDerWaalsContact O-CB 3.28Å; S80-K83 WeakPolarHBondContact O-CB 3.18Å; S80-K83 PolarHBondContact O-N 3.32Å |
| 81 | A | 37.9 | Very low | 46.7 | Very low | 77 Ų | 77 | 107.1 Ų | 107.1 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.6 | -19 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A77 K83 | A77-A81 VanDerWaalsContact O-CB 3.26Å; A77-A81 WeakPolarHBondContact O-CB 3.2Å; A77-A81 PolarHBondContact O-N 2.98Å; A81-K83 PolarHBondContact O-N 3.44Å |
| 82 | C | 35.2 | Very low | 44.8 | Very low | 115 Ų | 115 | 110.4 Ų | 110.4 | 78% | 0.777 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -1.6 | 167.6 | -159.1 | 0 | 0 | 0 | 0 | 112.7 | S80 | S80-C82 PolarHBondContact O-N 2.96Š|
| 83 | K | 36.1 | Very low | 43.3 | Very low | 140 Ų | 140 | 111.1 Ų | 111.1 | 61% | 0.609 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 4.8 | -176.3 | -108.2 | -178.6 | 179 | -177.4 | 0 | 115.2 | S80 A81 S85 | S80-K83 WeakPolarHBondContact O-CA 3.45Å; S80-K83 VanDerWaalsContact O-CB 3.28Å; S80-K83 WeakPolarHBondContact O-CB 3.18Å; S80-K83 PolarHBondContact O-N 3.32Å; A81-K83 PolarHBondContact O-N 3.44Å; K83-S85 PolarHBondContact O-N 2.85Å |
| 84 | D | 29.7 | Very low | 42.2 | Very low | 155 Ų | 155 | 110.3 Ų | 110.3 | 83% | 0.829 | 64% | 0.642 | S | S | * | * | trans | -98.6 | 64.6 | 171.6 | -83 | -24.7 | 0 | 0 | 0 | 111.4 | ||||
| 85 | S | 33 | Very low | 41.5 | Very low | 111 Ų | 111 | 109.8 Ų | 109.8 | 78% | 0.776 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -144.5 | 98.8 | 136 | 54.4 | 0 | 0 | 0 | 0 | 107.7 | K83 | K83-S85 PolarHBondContact O-N 2.85Š|
| 86 | G | 37.5 | Very low | 41 | Very low | 74 Ų | 74 | 111 Ų | 111 | 76% | 0.763 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 65.5 | 59.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 87 | H | 31.2 | Very low | 40.5 | Very low | 155 Ų | 155 | 108.4 Ų | 108.4 | 72% | 0.718 | 63% | 0.634 | S | S | * | * | trans | -124.1 | 106.2 | 153.1 | -92.5 | 63.7 | 0 | 0 | 0 | 109.6 | G89 | H87-G89 PolarHBondContact O-N 2.71Š| ||
| 88 | A | 31.8 | Very low | 39.9 | Very low | 65 Ų | 65 | 111.9 Ų | 111.9 | 54% | 0.537 | 64% | 0.643 | S | S | . | * | trans | -58.7 | 119.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | R91 | A88-R91 HydrophobicContact CB-CG 4.29Š| ||
| 89 | G | 37.9 | Very low | 39.7 | Very low | 64 Ų | 64 | 107 Ų | 107 | 66% | 0.66 | 63% | 0.63 | S | S | * | * | trans | -55.3 | 152.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | H87 R91 | H87-G89 PolarHBondContact O-N 2.71Å; G89-R91 PolarHBondContact O-N 2.78Å | ||
| 90 | A | 41.5 | Very low | 40 | Very low | 114 Ų | 114 | 103.2 Ų | 103.2 | 94% | 0.942 | 62% | 0.615 | S | S | * | * | trans | -30.9 | 95.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 91 | R | 38.5 | Very low | 40.6 | Very low | 151 Ų | 151 | 104.7 Ų | 104.7 | 57% | 0.57 | 61% | 0.614 | S | S | * | * | trans | -85.9 | 142 | 165.9 | -68.8 | -175.5 | 178.9 | 171.8 | 0.3 | 108 | A88 G89 | A88-R91 HydrophobicContact CB-CG 4.29Å; G89-R91 PolarHBondContact O-N 2.78Å | ||
| 92 | D | 40.3 | Very low | 41.2 | Very low | 116 Ų | 116 | 104.6 Ų | 104.6 | 62% | 0.62 | 61% | 0.605 | S | S | * | * | trans | -52.6 | 139.4 | 174.3 | -164.5 | -1.7 | 0 | 0 | 0 | 110.1 | V94 S95 | D92-V94 PolarHBondContact O-N 3.32Å; D92-S95 PolarHBondContact O-N 2.82Å | ||
| 93 | I | 43.7 | Very low | 41.7 | Very low | 142 Ų | 142 | 105.6 Ų | 105.6 | 73% | 0.728 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59 | -24.1 | -170.5 | -67 | 169.2 | 0 | 0 | 0 | 111.2 | ||
| 94 | V | 46 | Very low | 42.4 | Very low | 93 Ų | 93 | 104.6 Ų | 104.6 | 56% | 0.564 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.3 | -36.8 | 177 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | D92 I96 Q97 E98 | D92-V94 PolarHBondContact O-N 3.32Å; V94-I96 VanDerWaalsContact C-N 3.33Å; V94-I96 PolarHBondContact O-N 3.32Å; V94-Q97 PolarHBondContact O-N 2.65Å; V94-E98 PolarHBondContact O-N 3.28Å |
| 95 | S | 47.3 | Very low | 43.3 | Very low | 49 Ų | 49 | 103.3 Ų | 103.3 | 34% | 0.343 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -77.5 | -15.6 | -178.2 | -63.3 | 0 | 0 | 0 | 0 | 114 | D92 L99 | D92-S95 PolarHBondContact O-N 2.82Å; S95-L99 WeakPolarHBondContact O-CD1 3.41Å; S95-L99 WeakPolarHBondContact O-CG 3.43Å; S95-L99 PolarHBondContact O-N 3.42Å |
| 96 | I | 47.8 | Very low | 43.8 | Very low | 89 Ų | 89 | 103.9 Ų | 103.9 | 46% | 0.456 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -79.7 | -35 | 173.9 | -63.7 | 174.2 | 0 | 0 | 0 | 110.1 | V94 L99 I100 | V94-I96 VanDerWaalsContact C-N 3.33Å; V94-I96 PolarHBondContact O-N 3.32Å; I96-L99 PolarHBondContact O-N 2.98Å; I96-I100 HydrophobicContact CG2-CD1 3.99Å; I96-I100 WeakPolarHBondContact O-CG1 3.33Å; I96-I100 PolarHBondContact O-N 2.62Å |
| 97 | Q | 45.8 | Very low | 44.3 | Very low | 105 Ų | 105 | 106.9 Ų | 106.9 | 49% | 0.491 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.9 | -40.1 | 176.2 | -164.2 | 64.3 | 43.3 | 0 | 0 | 111.6 | V94 L99 I100 E101 | V94-Q97 PolarHBondContact O-N 2.65Å; Q97-L99 VanDerWaalsContact C-N 3.33Å; Q97-L99 PolarHBondContact O-N 2.91Å; Q97-I100 PolarHBondContact O-N 2.92Å; Q97-E101 WeakPolarHBondContact O-CG 3.3Å; Q97-E101 PolarHBondContact O-N 2.92Å |
| 98 | E | 43.5 | Very low | 45.2 | Very low | 119 Ų | 119 | 105 Ų | 105 | 56% | 0.556 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63 | -35.9 | 173.7 | -81.4 | 179.6 | 154.1 | 0 | 0 | 112.6 | V94 V102 | V94-E98 PolarHBondContact O-N 3.28Å; E98-V102 WeakPolarHBondContact O-CB 3.35Å; E98-V102 WeakPolarHBondContact O-CG2 3.36Å; E98-V102 PolarHBondContact O-N 3.07Å |
| 99 | L | 43.3 | Very low | 45.8 | Very low | 89 Ų | 89 | 106.6 Ų | 106.6 | 47% | 0.466 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.6 | -34.8 | 178.6 | -75.2 | 165.8 | 0 | 0 | 0 | 112.7 | S95 I96 Q97 V102 E103 | S95-L99 WeakPolarHBondContact O-CD1 3.41Å; S95-L99 WeakPolarHBondContact O-CG 3.43Å; S95-L99 PolarHBondContact O-N 3.42Å; I96-L99 PolarHBondContact O-N 2.98Å; Q97-L99 VanDerWaalsContact C-N 3.33Å; Q97-L99 PolarHBondContact O-N 2.91Å; L99-V102 PolarHBondContact O-N 3.29Å; L99-E103 PolarHBondContact O-N 3.29Å |
| 100 | I | 51.6 | Low | 46.1 | Very low | 74 Ų | 74 | 109.8 Ų | 109.8 | 38% | 0.379 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.7 | -40.3 | 176.1 | -66.4 | 165.8 | 0 | 0 | 0 | 110.6 | I96 Q97 V102 E103 E104 | I96-I100 HydrophobicContact CG2-CD1 3.99Å; I96-I100 WeakPolarHBondContact O-CG1 3.33Å; I96-I100 PolarHBondContact O-N 2.62Å; Q97-I100 PolarHBondContact O-N 2.92Å; I100-V102 VanDerWaalsContact C-N 3.32Å; I100-E103 PolarHBondContact O-N 2.88Å; I100-E104 PolarHBondContact O-N 3.13Å |
| 101 | E | 53.8 | Low | 46.4 | Very low | 102 Ų | 102 | 110 Ų | 110 | 48% | 0.477 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66 | -35.8 | 174.5 | -74.6 | 175 | -173.2 | 0 | 0 | 111.6 | Q97 E105 | Q97-E101 WeakPolarHBondContact O-CG 3.3Å; Q97-E101 PolarHBondContact O-N 2.92Å; E101-E105 WeakPolarHBondContact O-CB 3.38Å; E101-E105 WeakPolarHBondContact O-CG 3.32Å; E101-E105 PolarHBondContact O-N 3.32Å |
| 102 | V | 48.8 | Very low | 46.5 | Very low | 75 Ų | 75 | 106.7 Ų | 106.7 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.8 | -38.6 | 174.7 | 170.2 | 0 | 0 | 0 | 0 | 112.1 | E98 L99 I100 E105 E106 | E98-V102 WeakPolarHBondContact O-CB 3.35Å; E98-V102 WeakPolarHBondContact O-CG2 3.36Å; E98-V102 PolarHBondContact O-N 3.07Å; L99-V102 PolarHBondContact O-N 3.29Å; I100-V102 VanDerWaalsContact C-N 3.32Å; V102-E105 PolarHBondContact O-N 3.5Å; V102-E106 PolarHBondContact O-N 3.05Å |
| 103 | E | 46.4 | Very low | 46.6 | Very low | 136 Ų | 136 | 110.3 Ų | 110.3 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.4 | -40.9 | 173.4 | -91.3 | -178.5 | 151.9 | 0 | 0 | 112.2 | L99 I100 E106 E107 | L99-E103 PolarHBondContact O-N 3.29Å; I100-E103 PolarHBondContact O-N 2.88Å; E103-E106 PolarHBondContact O-N 3.31Å; E103-E107 PolarHBondContact O-N 2.8Å |
| 104 | E | 51.8 | Low | 46.6 | Very low | 119 Ų | 119 | 108.7 Ų | 108.7 | 56% | 0.556 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.1 | -39.2 | 174.2 | -78.8 | -173.8 | 161 | 0 | 0 | 111.7 | I100 E107 I108 | I100-E104 PolarHBondContact O-N 3.13Å; E104-E107 PolarHBondContact O-N 2.9Å; E104-I108 WeakPolarHBondContact O-CB 3.27Å; E104-I108 WeakPolarHBondContact O-CD1 3.38Å; E104-I108 WeakPolarHBondContact O-CG1 3.4Å; E104-I108 PolarHBondContact O-N 2.84Å |
| 105 | E | 48.6 | Very low | 46.2 | Very low | 128 Ų | 128 | 110.7 Ų | 110.7 | 60% | 0.598 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.3 | -37 | 174.4 | -79 | -171.1 | 167.7 | 0 | 0 | 112.4 | E101 V102 I108 L109 | E101-E105 WeakPolarHBondContact O-CB 3.38Å; E101-E105 WeakPolarHBondContact O-CG 3.32Å; E101-E105 PolarHBondContact O-N 3.32Å; V102-E105 PolarHBondContact O-N 3.5Å; E105-I108 PolarHBondContact O-N 2.88Å; E105-L109 WeakPolarHBondContact O-CB 3.13Å; E105-L109 PolarHBondContact O-N 2.78Å |
| 106 | E | 43.5 | Very low | 45.7 | Very low | 122 Ų | 122 | 114.1 Ų | 114.1 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67 | -41.2 | 174.2 | -81.8 | -168.7 | 159 | 0 | 0 | 112.4 | V102 E103 I108 L109 L110 | V102-E106 PolarHBondContact O-N 3.05Å; E103-E106 PolarHBondContact O-N 3.31Å; E106-I108 VanDerWaalsContact C-N 3.33Å; E106-I108 PolarHBondContact O-N 2.84Å; E106-L109 PolarHBondContact O-N 2.95Å; E106-L110 WeakPolarHBondContact O-CB 3.2Å; E106-L110 WeakPolarHBondContact O-CD1 3.21Å; E106-L110 PolarHBondContact O-N 3.41Å |
| 107 | E | 46.8 | Very low | 45 | Very low | 138 Ų | 138 | 115.8 Ų | 115.8 | 65% | 0.645 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65 | -35.2 | 174.3 | -80.3 | -158.6 | 152.6 | 0 | 0 | 112.6 | E103 E104 N111 | E103-E107 PolarHBondContact O-N 2.8Å; E104-E107 PolarHBondContact O-N 2.9Å; E107-N111 PolarHBondContact O-N 3.19Å; E107-N111 PolarHBondContact O-ND2 3.25Å |
| 108 | I | 49.8 | Very low | 44.5 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 59% | 0.59 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.9 | -37.7 | 175.7 | -67.1 | 165.2 | 0 | 0 | 0 | 111.1 | E104 E105 E106 N111 S112 | E104-I108 WeakPolarHBondContact O-CB 3.27Å; E104-I108 WeakPolarHBondContact O-CD1 3.38Å; E104-I108 WeakPolarHBondContact O-CG1 3.4Å; E104-I108 PolarHBondContact O-N 2.84Å; E105-I108 PolarHBondContact O-N 2.88Å; E106-I108 VanDerWaalsContact C-N 3.33Å; E106-I108 PolarHBondContact O-N 2.84Å; I108-N111 PolarHBondContact O-N 2.91Å; I108-S112 PolarHBondContact O-N 3.44Å; I108-S112 PolarHBondContact O-OG 3.26Å |
| 109 | L | 44.8 | Very low | 43.8 | Very low | 98 Ų | 98 | 118.9 Ų | 118.9 | 51% | 0.513 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -68 | -38.4 | 174.7 | -90.7 | 156.6 | 0 | 0 | 0 | 112.5 | E105 E106 N111 S112 Y113 | E105-L109 WeakPolarHBondContact O-CB 3.13Å; E105-L109 PolarHBondContact O-N 2.78Å; E106-L109 PolarHBondContact O-N 2.95Å; L109-N111 VanDerWaalsContact C-N 3.29Å; L109-N111 PolarHBondContact O-N 3.46Å; L109-S112 WeakPolarHBondContact CA-OG 3.48Å; L109-S112 PolarHBondContact O-N 2.99Å; L109-S112 PolarHBondContact O-OG 3.27Å; L109-Y113 VanDerWaalsContact O-CD2 3.28Å; L109-Y113 WeakPolarHBondContact O-CD2 3.44Å |
| 110 | L | 44.4 | Very low | 43.1 | Very low | 131 Ų | 131 | 120.8 Ų | 120.8 | 69% | 0.686 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.8 | -33.7 | 175 | -89.5 | 147.2 | 0 | 0 | 0 | 112.6 | E106 S112 | E106-L110 WeakPolarHBondContact O-CB 3.2Å; E106-L110 WeakPolarHBondContact O-CD1 3.21Å; E106-L110 PolarHBondContact O-N 3.41Å; L110-S112 VanDerWaalsContact C-N 3.34Å; L110-S112 PolarHBondContact O-N 2.84Å |
| 111 | N | 46.9 | Very low | 42.3 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 63% | 0.631 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -73.9 | -20.5 | 177.2 | -79.2 | -40.4 | 0 | 0 | 0 | 114.1 | E107 I108 L109 T114 | E107-N111 PolarHBondContact O-N 3.19Å; E107-N111 PolarHBondContact O-ND2 3.25Å; I108-N111 PolarHBondContact O-N 2.91Å; L109-N111 VanDerWaalsContact C-N 3.29Å; L109-N111 PolarHBondContact O-N 3.46Å; N111-T114 PolarHBondContact O-OG1 3.11Å |
| 112 | S | 41.8 | Very low | 41.3 | Very low | 83 Ų | 83 | 131 Ų | 131 | 58% | 0.58 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -5 | -177.7 | 41.2 | 0 | 0 | 0 | 0 | 114.9 | I108 L109 L110 | I108-S112 PolarHBondContact O-N 3.44Å; I108-S112 PolarHBondContact O-OG 3.26Å; L109-S112 WeakPolarHBondContact CA-OG 3.48Å; L109-S112 PolarHBondContact O-N 2.99Å; L109-S112 PolarHBondContact O-OG 3.27Å; L110-S112 VanDerWaalsContact C-N 3.34Å; L110-S112 PolarHBondContact O-N 2.84Å |
| 113 | Y | 41.5 | Very low | 40.3 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 1.7 | 173.6 | -75.7 | -79.9 | 0 | 0 | 0 | 114.8 | L109 | L109-Y113 VanDerWaalsContact O-CD2 3.28Å; L109-Y113 WeakPolarHBondContact O-CD2 3.44Å |
| 114 | T | 45.1 | Very low | 39.4 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 116.5 | 173.5 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | N111 | N111-T114 PolarHBondContact O-OG1 3.11Š|
| 115 | T | 36 | Very low | 38.5 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 83% | 0.828 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 127 | 179.1 | 37.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 116 | P | 37.7 | Very low | 37.6 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 126.8 | 177 | 30.3 | -28.2 | 0 | 0 | 0 | 111.2 | ||
| 117 | S | 34.1 | Very low | 37 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 137.7 | 167.7 | 53.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 118 | K | 34 | Very low | 36.5 | Very low | 213 Ų | 213 | 138.5 Ų | 138.5 | 93% | 0.926 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 134.7 | -163.5 | -69.8 | 179.7 | 172.9 | 178.2 | 0 | 114.2 | ||
| 119 | G | 29.9 | Very low | 35.8 | Very low | 77 Ų | 77 | 142.3 Ų | 142.3 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | 120.8 | 92.7 | 121.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 120 | S | 28.6 | Very low | 35.2 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | 170.8 | 120.7 | 106.2 | -168 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 121 | Q | 34.1 | Very low | 34.7 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -86.5 | 129.1 | -176.1 | -69.2 | -177.9 | -21.9 | 0 | 0 | 112.2 | ||||
| 122 | K | 32.4 | Very low | 33.9 | Very low | 203 Ų | 203 | 145.2 Ų | 145.2 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | -171.2 | 126.6 | 126.5 | -113.7 | 174.6 | 179.1 | 174.7 | 0 | 113.6 | |||||
| 123 | R | 28.8 | Very low | 33.3 | Very low | 233 Ų | 233 | 147.8 Ų | 147.8 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | trans | 73.5 | 93.8 | 166.2 | -72.4 | -175.5 | -176.6 | 171.8 | 1.4 | 118.1 | I125 | R123-I125 PolarHBondContact O-N 3.14Š| ||
| 124 | T | 27.6 | Very low | 33.1 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | trans | -61.8 | 112.6 | 157.7 | -3.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 125 | I | 31.4 | Very low | 32.9 | Very low | 152 Ų | 152 | 154.7 Ų | 154.7 | 78% | 0.779 | 84% | 0.838 | S | S | * | * | trans | -83.4 | 101.4 | 160 | -67.7 | 169.3 | 0 | 0 | 0 | 105.2 | R123 | R123-I125 PolarHBondContact O-N 3.14Š| ||
| 126 | S | 30.7 | Very low | 32.6 | Very low | 110 Ų | 110 | 153.8 Ų | 153.8 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | trans | -98.9 | 101.2 | 165.6 | 57.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 127 | T | 31.6 | Very low | 32.3 | Very low | 123 Ų | 123 | 153.8 Ų | 153.8 | 76% | 0.755 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 151.8 | 158.7 | 27.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 128 | P | 36.5 | Very low | 32.6 | Very low | 115 Ų | 115 | 153.2 Ų | 153.2 | 75% | 0.747 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 132.7 | -148.3 | 34.6 | -29.9 | 0 | 0 | 0 | 112.6 | ||
| 129 | E | 34.8 | Very low | 32.6 | Very low | 195 Ų | 195 | 148.7 Ų | 148.7 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 130.9 | 155.8 | -68.2 | -167.6 | 155.8 | 0 | 0 | 108.8 | ||
| 130 | T | 31.2 | Very low | 33 | Very low | 122 Ų | 122 | 157.5 Ų | 157.5 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 145.3 | -176.4 | 25.8 | 0 | 0 | 0 | 0 | 113 | L132 | T130-L132 PolarHBondContact O-N 2.94Š|
| 131 | P | 33.2 | Very low | 33.3 | Very low | 114 Ų | 114 | 155 Ų | 155 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 121.6 | -175.3 | 29.2 | -32.8 | 0 | 0 | 0 | 111.1 | T133 | P131-T133 PolarHBondContact O-N 3.48Å; P131-T133 VanDerWaalsContact O-N 3.08Å |
| 132 | L | 31.3 | Very low | 33.6 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | trans | -63.1 | 107.7 | 158.3 | -72.9 | 167.9 | 0 | 0 | 0 | 107.8 | T130 K134 | T130-L132 PolarHBondContact O-N 2.94Å; L132-K134 PolarHBondContact O-N 2.95Å | ||
| 133 | T | 29.2 | Very low | 33.9 | Very low | 137 Ų | 137 | 149.7 Ų | 149.7 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -57.9 | 108.4 | 172 | 3 | 0 | 0 | 0 | 0 | 109.5 | P131 R135 | P131-T133 PolarHBondContact O-N 3.48Å; P131-T133 VanDerWaalsContact O-N 3.08Å; T133-R135 VanDerWaalsContact C-N 3.34Å; T133-R135 PolarHBondContact O-N 3.44Å | ||
| 134 | K | 38.1 | Very low | 34.7 | Very low | 207 Ų | 207 | 147.9 Ų | 147.9 | 90% | 0.9 | 80% | 0.803 | S | S | * | * | trans | -63.6 | 91.6 | 164.6 | -73.7 | -177.3 | 176.3 | -179 | 0 | 109.7 | L132 | L132-K134 PolarHBondContact O-N 2.95Š| ||
| 135 | R | 40.7 | Very low | 35.3 | Very low | 238 Ų | 238 | 148.6 Ų | 148.6 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -167.4 | 84.9 | 147.5 | -112.3 | -178.7 | -167.8 | 178.4 | 4.4 | 109.6 | T133 | T133-R135 VanDerWaalsContact C-N 3.34Å; T133-R135 PolarHBondContact O-N 3.44Å | ||
| 136 | S | 29.1 | Very low | 35.6 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -127.7 | 109.9 | 152 | 175.3 | 0 | 0 | 0 | 0 | 105.9 | S138 | S136-S138 PolarHBondContact O-N 3.04Š| ||
| 137 | V | 31.6 | Very low | 36.3 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -72.7 | 115.2 | 170.3 | -179.7 | 0 | 0 | 0 | 0 | 105.4 | T139 | V137-T139 HydrophobicContact CG1-CG2 4.37Å; V137-T139 PolarHBondContact O-N 2.74Å | ||
| 138 | S | 39.8 | Very low | 37.3 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -62.8 | 103.5 | 172.4 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | S136 | S136-S138 PolarHBondContact O-N 3.04Š| ||
| 139 | T | 33.6 | Very low | 37.8 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | -129.4 | 91.5 | 160 | 53.5 | 0 | 0 | 0 | 0 | 108.8 | V137 | V137-T139 HydrophobicContact CG1-CG2 4.37Å; V137-T139 PolarHBondContact O-N 2.74Å | ||
| 140 | R | 39.8 | Very low | 38.5 | Very low | 262 Ų | 262 | 136.8 Ų | 136.8 | 99% | 0.989 | 75% | 0.747 | S | S | * | * | trans | -94.7 | 88.7 | 164.7 | -75.5 | -172.6 | 177.8 | -175.5 | -0.4 | 108.5 | ||||
| 141 | S | 34.4 | Very low | 39.5 | Very low | 76 Ų | 76 | 137.5 Ų | 137.5 | 53% | 0.531 | 74% | 0.74 | S | S | . | * | trans | -112.4 | 152 | 154.7 | 63.1 | 0 | 0 | 0 | 0 | 107.8 | H143 | S141-H143 PolarHBondContact O-N 2.84Š| ||
| 142 | P | 40 | Very low | 40.8 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -75.5 | 17.6 | -172.8 | 31.6 | -34.7 | 0 | 0 | 0 | 114.1 | ||
| 143 | H | 39.2 | Very low | 42.3 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | trans | -120.8 | 90.5 | 170.6 | -66.5 | -56.1 | 0 | 0 | 0 | 108 | S141 L145 | S141-H143 PolarHBondContact O-N 2.84Å; H143-L145 VanDerWaalsContact C-N 3.32Å; H143-L145 PolarHBondContact O-N 2.94Å | ||
| 144 | Q | 44.7 | Very low | 44 | Very low | 195 Ų | 195 | 129.5 Ų | 129.5 | 91% | 0.911 | 70% | 0.704 | S | S | * | * | trans | -60.5 | 101.9 | 161.2 | -87.6 | -177.7 | -17.9 | 0 | 0 | 107.3 | L146 | Q144-L146 PolarHBondContact O-N 2.85Å; Q144-L146 VanDerWaalsContact O-N 3.16Å | ||
| 145 | L | 40.3 | Very low | 45.6 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 82% | 0.817 | 70% | 0.7 | S | S | * | * | trans | -63.8 | 115.1 | 166.4 | -74.1 | 167.7 | 0 | 0 | 0 | 106.7 | H143 S147 | H143-L145 VanDerWaalsContact C-N 3.32Å; H143-L145 PolarHBondContact O-N 2.94Å; L145-S147 VanDerWaalsContact C-N 3.32Å; L145-S147 PolarHBondContact O-N 2.94Å | ||
| 146 | L | 37.8 | Very low | 47.4 | Very low | 145 Ų | 145 | 117.1 Ų | 117.1 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | trans | -46.3 | 96.6 | 166.7 | -65.5 | 166 | 0 | 0 | 0 | 108.7 | Q144 F151 | Q144-L146 PolarHBondContact O-N 2.85Å; Q144-L146 VanDerWaalsContact O-N 3.16Å; L146-F151 HydrophobicContact CB-CE2 4.19Å; L146-F151 HydrophobicContact CD2-CE2 3.78Å; L146-F151 HydrophobicContact CD2-CZ 3.72Å | ||
| 147 | S | 46.2 | Very low | 49.8 | Very low | 39 Ų | 39 | 114 Ų | 114 | 27% | 0.273 | 66% | 0.659 | S | S | . | * | trans | -88.2 | 141.6 | 176.7 | 79 | 0 | 0 | 0 | 0 | 108.5 | L145 S149 S150 | L145-S147 VanDerWaalsContact C-N 3.32Å; L145-S147 PolarHBondContact O-N 2.94Å; S147-S149 WeakPolarHBondContact CB-OG 3.38Å; S147-S149 PolarHBondContact O-N 3.06Å; S147-S149 VanDerWaalsContact O-N 3.07Å; S147-S149 PolarHBondContact OG-OG 3.23Å; S147-S150 VanDerWaalsContact O-CB 3.29Å; S147-S150 WeakPolarHBondContact O-CB 3.07Å; S147-S150 PolarHBondContact O-N 3.07Å; S147-S150 PolarHBondContact O-OG 3.09Å; S147-S150 PolarHBondContact OG-N 3.49Å; S147-S150 PolarHBondContact OG-OG 3.11Å | ||
| 148 | P | 51.5 | Low | 52.4 | Low | 107 Ų | 107 | 108.3 Ų | 108.3 | 70% | 0.695 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -56.4 | -26.1 | 176.5 | -24.8 | 33.3 | 0 | 0 | 0 | 113.4 | S150 F151 S152 | P148-S150 VanDerWaalsContact C-N 3.29Å; P148-S150 PolarHBondContact O-N 3.24Å; P148-F151 PolarHBondContact O-N 3.41Å; P148-S152 PolarHBondContact O-N 2.91Å; P148-S152 PolarHBondContact O-OG 3.27Å |
| 149 | S | 47.3 | Very low | 54.8 | Low | 90 Ų | 90 | 108.7 Ų | 108.7 | 63% | 0.629 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -65.2 | -26.4 | 173.5 | 26.3 | 0 | 0 | 0 | 0 | 113.9 | S147 F151 | S147-S149 WeakPolarHBondContact CB-OG 3.38Å; S147-S149 PolarHBondContact O-N 3.06Å; S147-S149 VanDerWaalsContact O-N 3.07Å; S147-S149 PolarHBondContact OG-OG 3.23Å; S149-F151 PolarHBondContact O-N 3.09Å |
| 150 | S | 49.3 | Very low | 57.6 | Low | 66 Ų | 66 | 108.5 Ų | 108.5 | 46% | 0.462 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -73.7 | -14.5 | 175.8 | -48.4 | 0 | 0 | 0 | 0 | 112.9 | S147 P148 | S147-S150 VanDerWaalsContact O-CB 3.29Å; S147-S150 WeakPolarHBondContact O-CB 3.07Å; S147-S150 PolarHBondContact O-N 3.07Å; S147-S150 PolarHBondContact O-OG 3.09Å; S147-S150 PolarHBondContact OG-N 3.49Å; S147-S150 PolarHBondContact OG-OG 3.11Å; P148-S150 VanDerWaalsContact C-N 3.29Å; P148-S150 PolarHBondContact O-N 3.24Å |
| 151 | F | 53.4 | Low | 60.2 | Low | 137 Ų | 137 | 96 Ų | 96 | 60% | 0.601 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -115.7 | 0.1 | -179.7 | -65.1 | -75.2 | 0 | 0 | 0 | 113.3 | L146 P148 S149 | L146-F151 HydrophobicContact CB-CE2 4.19Å; L146-F151 HydrophobicContact CD2-CE2 3.78Å; L146-F151 HydrophobicContact CD2-CZ 3.72Å; P148-F151 PolarHBondContact O-N 3.41Å; S149-F151 PolarHBondContact O-N 3.09Å |
| 152 | S | 58.5 | Low | 63 | Low | 72 Ų | 72 | 96.5 Ų | 96.5 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -82.8 | 135.3 | -179.4 | -64.3 | 0 | 0 | 0 | 0 | 109.6 | P148 | P148-S152 PolarHBondContact O-N 2.91Å; P148-S152 PolarHBondContact O-OG 3.27Å |
| 153 | P | 63.7 | Low | 65.6 | Low | 124 Ų | 124 | 94.6 Ų | 94.6 | 81% | 0.805 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 141.8 | 174.8 | -24.3 | 32.4 | 0 | 0 | 0 | 111.3 | A155 | P153-A155 PolarHBondContact O-N 3.25Š|
| 154 | S | 65.8 | Low | 68.2 | Low | 60 Ų | 60 | 89.2 Ų | 89.2 | 42% | 0.42 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -47.8 | 132.8 | 173.8 | -67.2 | 0 | 0 | 0 | 0 | 109.9 | T156 P157 | S154-T156 VanDerWaalsContact C-N 3.3Å; S154-T156 PolarHBondContact O-N 2.94Å; S154-P157 VanDerWaalsContact O-CD 3.32Å; S154-P157 WeakPolarHBondContact O-CD 3.35Å |
| 155 | A | 70.3 | Confident | 70.6 | Confident | 100 Ų | 100 | 85.8 Ų | 85.8 | 83% | 0.826 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -72.3 | -24.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P153 | P153-A155 PolarHBondContact O-N 3.25Š|
| 156 | T | 78.9 | Confident | 73.2 | Confident | 85 Ų | 85 | 80.5 Ų | 80.5 | 52% | 0.521 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -144.7 | 56.1 | -178 | 47.2 | 0 | 0 | 0 | 0 | 112.5 | S154 S158 | S154-T156 VanDerWaalsContact C-N 3.3Å; S154-T156 PolarHBondContact O-N 2.94Å; T156-S158 PolarHBondContact O-N 2.92Å |
| 157 | P | 79.4 | Confident | 75.9 | Confident | 50 Ų | 50 | 79.6 Ų | 79.6 | 33% | 0.325 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 133.2 | -177.4 | 26.1 | -28.9 | 0 | 0 | 0 | 110.3 | S154 Q159 S354 T356 | S154-P157 VanDerWaalsContact O-CD 3.32Å; S154-P157 WeakPolarHBondContact O-CD 3.35Å; P157-Q159 PolarHBondContact O-N 3.35Å; P157-Q159 VanDerWaalsContact O-N 3.1Å; P157-S354 VanDerWaalsContact CB-OG 3.31Å; P157-S354 WeakPolarHBondContact CB-OG 3.44Å; P157-T356 HydrophobicContact CB-CG2 4.29Å |
| 158 | S | 85.6 | Confident | 78.1 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 19.1 | 173.5 | -38.5 | 0 | 0 | 0 | 0 | 116 | T156 K160 Y161 N162 T351 S354 T356 D358 | T156-S158 PolarHBondContact O-N 2.92Å; S158-K160 VanDerWaalsContact C-N 3.33Å; S158-K160 PolarHBondContact O-N 3.37Å; S158-Y161 WeakPolarHBondContact O-CB 3.03Å; S158-Y161 PolarHBondContact O-N 3.02Å; S158-Y161 VanDerWaalsContact O-N 3.09Å; S158-N162 PolarHBondContact O-N 3.12Å; S158-N162 PolarHBondContact O-ND2 3.07Å; S158-T351 PolarHBondContact OG-OG1 2.84Å; S158-S354 WeakPolarHBondContact OG-CB 3.43Å; S158-S354 PolarHBondContact OG-OG 2.76Å; S158-T356 PolarHBondContact OG-OG1 3.04Å; S158-D358 WeakPolarHBondContact CB-OD2 3.35Å; S158-D358 PolarHBondContact OG-OD2 2.92Å |
| 159 | Q | 90.2 | Very high | 80.2 | Confident | 121 Ų | 121 | 79.3 Ų | 79.3 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.4 | -42 | -172.5 | -174.4 | -178.2 | 5.1 | 0 | 0 | 112.8 | P157 S163 | P157-Q159 PolarHBondContact O-N 3.35Å; P157-Q159 VanDerWaalsContact O-N 3.1Å; Q159-S163 WeakPolarHBondContact O-CB 3.39Å; Q159-S163 PolarHBondContact O-N 3.06Å; Q159-S163 PolarHBondContact O-OG 3.36Å |
| 160 | K | 92.3 | Very high | 82.5 | Confident | 114 Ų | 114 | 78.1 Ų | 78.1 | 50% | 0.496 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.5 | -37.1 | 177.8 | -73.5 | -177 | -176.3 | 167.3 | 0 | 112.5 | S158 S163 Q566 | S158-K160 VanDerWaalsContact C-N 3.33Å; S158-K160 PolarHBondContact O-N 3.37Å; K160-S163 PolarHBondContact O-OG 2.96Å; K160-Q566 HydrophobicContact CB-CB 4.43Å; K160-Q566 WeakPolarHBondContact CB-O 3.32Å; K160-Q566 HydrophobicContact CD-CB 4.09Å |
| 161 | Y | 95.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.2 | -47.8 | 177.1 | 175.7 | -96.9 | 0 | 0 | 0 | 111.7 | S158 S163 R164 T351 D358 P359 D362 Q566 I598 | S158-Y161 WeakPolarHBondContact O-CB 3.03Å; S158-Y161 PolarHBondContact O-N 3.02Å; S158-Y161 VanDerWaalsContact O-N 3.09Å; Y161-S163 VanDerWaalsContact C-N 3.28Å; Y161-S163 PolarHBondContact O-N 2.83Å; Y161-R164 VanDerWaalsContact CZ-NH1 3.29Å; Y161-R164 WeakPolarHBondContact O-CB 3.38Å; Y161-R164 WeakPolarHBondContact O-CD 3.28Å; Y161-R164 WeakPolarHBondContact O-CG 3.49Å; Y161-R164 PolarHBondContact O-N 2.78Å; Y161-R164 PolarHBondContact O-NH1 2.75Å; Y161-R164 VanDerWaalsContact OH-CZ 3.25Å; Y161-R164 PolarHBondContact OH-NH2 3.26Å; Y161-T351 HydrophobicContact CD2-CG2 4.29Å; Y161-T351 HydrophobicContact CG-CG2 3.96Å; Y161-D358 HydrophobicContact CD1-CB 3.74Å; Y161-D358 HydrophobicContact CE1-CB 3.69Å; Y161-P359 HydrophobicContact CD1-CG 4.19Å; Y161-P359 HydrophobicContact CD2-CG 3.95Å; Y161-P359 HydrophobicContact CE1-CB 4.35Å; Y161-P359 HydrophobicContact CE1-CG 3.9Å; Y161-P359 HydrophobicContact CE2-CB 3.93Å; Y161-P359 HydrophobicContact CE2-CG 3.66Å; Y161-P359 HydrophobicContact CG-CG 4.24Å; Y161-P359 VanDerWaalsContact OH-CA 3.28Å; Y161-P359 WeakPolarHBondContact OH-CA 3.39Å; Y161-D362 WeakPolarHBondContact OH-CB 3.42Å; Y161-D362 PolarHBondContact OH-OD2 2.99Å; Y161-D362 VanDerWaalsContact OH-OD2 3.06Å; Y161-Q566 PolarHBondContact N-O 2.77Å; Y161-I598 HydrophobicContact CE2-CG2 4.27Å |
| 162 | N | 92.8 | Very high | 86.7 | Confident | 86 Ų | 86 | 71.6 Ų | 71.6 | 46% | 0.46 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71.9 | -21 | -176.3 | -71.6 | -37.3 | 0 | 0 | 0 | 113.6 | S158 D358 | S158-N162 PolarHBondContact O-N 3.12Å; S158-N162 PolarHBondContact O-ND2 3.07Å; N162-D358 PolarHBondContact ND2-OD2 2.77Å |
| 163 | S | 94.1 | Very high | 88.5 | Confident | 89 Ų | 89 | 72 Ų | 72 | 62% | 0.622 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 7.8 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 114.4 | Q159 K160 Y161 | Q159-S163 WeakPolarHBondContact O-CB 3.39Å; Q159-S163 PolarHBondContact O-N 3.06Å; Q159-S163 PolarHBondContact O-OG 3.36Å; K160-S163 PolarHBondContact O-OG 2.96Å; Y161-S163 VanDerWaalsContact C-N 3.28Å; Y161-S163 PolarHBondContact O-N 2.83Å |
| 164 | R | 94.9 | Very high | 89.9 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 14% | 0.14 | 40% | 0.403 | C | S | . | . | trans | -66.9 | 141.6 | -178 | 75.9 | -168.6 | 180 | -72 | -1.8 | 112.3 | Y161 D362 I598 | Y161-R164 VanDerWaalsContact CZ-NH1 3.29Å; Y161-R164 WeakPolarHBondContact O-CB 3.38Å; Y161-R164 WeakPolarHBondContact O-CD 3.28Å; Y161-R164 WeakPolarHBondContact O-CG 3.49Å; Y161-R164 PolarHBondContact O-N 2.78Å; Y161-R164 PolarHBondContact O-NH1 2.75Å; Y161-R164 VanDerWaalsContact OH-CZ 3.25Å; Y161-R164 PolarHBondContact OH-NH2 3.26Å; R164-D362 IonicContact CZ-OD2 3.64Å; R164-D362 IonicContact NH1-OD2 2.77Å; R164-D362 PolarHBondContact NH1-OD2 3.45Å; R164-D362 IonicContact NH2-OD2 3.99Å; R164-D362 PolarHBondContact NH2-OD2 3.03Å; R164-I598 WeakPolarHBondContact CD-O 3.48Å; R164-I598 PolarHBondContact NE-O 2.94Å; R164-I598 PolarHBondContact NE-OXT 2.91Å; R164-I598 PolarHBondContact NH2-OXT 3.16Å | ||
| 165 | S | 94.8 | Very high | 91 | Very high | 124 Ų | 124 | 68.2 Ų | 68.2 | 87% | 0.867 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -104.5 | -8.4 | 179.2 | 56.5 | 0 | 0 | 0 | 0 | 114 | ||
| 166 | N | 93.9 | Very high | 91.5 | Very high | 44 Ų | 44 | 68.4 Ų | 68.4 | 24% | 0.235 | 40% | 0.403 | C | S | . | . | trans | -98.8 | 15.7 | -174 | 61.1 | -13 | 0 | 0 | 0 | 113.5 | G168 E169 R597 | N166-G168 PolarHBondContact O-N 3.18Å; N166-E169 VanDerWaalsContact O-CB 3.25Å; N166-E169 WeakPolarHBondContact O-CB 3.37Å; N166-E169 PolarHBondContact O-N 3.05Å; N166-R597 WeakPolarHBondContact ND2-CD 3.32Å; N166-R597 PolarHBondContact ND2-NE 2.86Å; N166-R597 VanDerWaalsContact O-CB 3.27Å; N166-R597 WeakPolarHBondContact O-CB 3.38Å; N166-R597 WeakPolarHBondContact O-CD 3.49Å | ||
| 167 | R | 94.7 | Very high | 90.9 | Very high | 126 Ų | 126 | 64.6 Ų | 64.6 | 48% | 0.475 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 129 | 174.5 | 176.3 | 176.4 | -176 | 156.7 | 11.1 | 110.2 | E169 D362 | R167-E169 VanDerWaalsContact C-N 3.27Å; R167-E169 PolarHBondContact O-N 3.47Å; R167-D362 IonicContact CZ-OD1 3.05Å; R167-D362 IonicContact NH1-OD1 3.52Å; R167-D362 PolarHBondContact NH1-OD1 2.83Å; R167-D362 IonicContact NH1-OD2 2.67Å; R167-D362 IonicContact NH2-OD1 3.48Å; R167-D362 PolarHBondContact NH2-OD1 2.89Å |
| 168 | G | 93.4 | Very high | 89.6 | Confident | 46 Ų | 46 | 71.2 Ų | 71.2 | 47% | 0.474 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 2.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | N166 V170 R597 | N166-G168 PolarHBondContact O-N 3.18Å; G168-V170 PolarHBondContact O-N 2.88Å; G168-R597 WeakPolarHBondContact CA-O 2.96Å; G168-R597 PolarHBondContact N-O 3.49Å |
| 169 | E | 95.6 | Very high | 88.4 | Confident | 95 Ų | 95 | 75.4 Ų | 75.4 | 44% | 0.444 | 45% | 0.451 | S | S | . | . | trans | -64.1 | 124.4 | 175.2 | -175.4 | -170.4 | -172.4 | 0 | 0 | 110.4 | N166 R167 V171 V596 R597 | N166-E169 VanDerWaalsContact O-CB 3.25Å; N166-E169 WeakPolarHBondContact O-CB 3.37Å; N166-E169 PolarHBondContact O-N 3.05Å; R167-E169 VanDerWaalsContact C-N 3.27Å; R167-E169 PolarHBondContact O-N 3.47Å; E169-V171 HydrophobicContact CG-CG1 4.28Å; E169-V171 PolarHBondContact O-N 3.5Å; E169-V596 CarbonylContact O-C 3.55Å; E169-V596 WeakPolarHBondContact O-CA 3.41Å; E169-R597 HydrophobicContact CB-CB 4.35Å; E169-R597 HydrophobicContact CB-CG 4.29Å; E169-R597 PolarHBondContact O-N 2.97Å; E169-R597 VanDerWaalsContact OE2-CD 3.23Å; E169-R597 WeakPolarHBondContact OE2-CD 3.25Å; E169-R597 IonicContact OE2-NE 3.72Å; E169-R597 PolarHBondContact OE2-NE 3.09Å | ||
| 170 | V | 95.5 | Very high | 86.7 | Confident | 65 Ų | 65 | 72.7 Ų | 72.7 | 39% | 0.394 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 116.5 | 172 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | G168 Q594 V596 | G168-V170 PolarHBondContact O-N 2.88Å; V170-Q594 HydrophobicContact CG1-CB 4.28Å; V170-Q594 HydrophobicContact CG1-CG 3.96Å; V170-V596 HydrophobicContact CG2-CG2 4.27Å |
| 171 | V | 96.3 | Very high | 86 | Confident | 29 Ų | 29 | 72.4 Ų | 72.4 | 18% | 0.176 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -22.6 | -173.9 | -68.9 | 0 | 0 | 0 | 0 | 113.7 | E169 Y546 T570 V595 R597 | E169-V171 HydrophobicContact CG-CG1 4.28Å; E169-V171 PolarHBondContact O-N 3.5Å; V171-Y546 HydrophobicContact CB-CD2 4.36Å; V171-Y546 HydrophobicContact CB-CE1 4.25Å; V171-Y546 HydrophobicContact CB-CE2 3.52Å; V171-Y546 VanDerWaalsContact CB-CZ 3.46Å; V171-Y546 WeakPolarHBondContact CB-OH 3.26Å; V171-Y546 HydrophobicContact CG2-CD1 4.17Å; V171-Y546 HydrophobicContact CG2-CD2 3.7Å; V171-Y546 HydrophobicContact CG2-CE1 3.83Å; V171-Y546 HydrophobicContact CG2-CE2 3.34Å; V171-Y546 HydrophobicContact CG2-CG 4.15Å; V171-Y546 VanDerWaalsContact CG2-CZ 3.44Å; V171-T570 HydrophobicContact CG2-CG2 3.95Å; V171-V595 HydrophobicContact CG2-CB 3.96Å; V171-V595 HydrophobicContact CG2-CG1 3.71Å; V171-V595 VanDerWaalsContact CG2-O 3.3Å; V171-V595 WeakPolarHBondContact CG2-O 3.34Å; V171-V595 PolarHBondContact N-O 3.04Å; V171-R597 HydrophobicContact CG1-CG 3.77Å |
| 172 | T | 95.2 | Very high | 85.7 | Confident | 37 Ų | 37 | 72.9 Ų | 72.9 | 23% | 0.227 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 141.8 | 173.7 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | Y546 V548 Q594 V595 | T172-Y546 VanDerWaalsContact OG1-CD2 3.24Å; T172-Y546 WeakPolarHBondContact OG1-CD2 3.38Å; T172-Y546 WeakPolarHBondContact OG1-CE2 3.4Å; T172-V548 HydrophobicContact CG2-CG2 4.26Å; T172-Q594 WeakPolarHBondContact O-CA 3.41Å; T172-V595 PolarHBondContact N-O 3.35Å; T172-V595 PolarHBondContact O-N 3.45Å |
| 173 | S | 94.7 | Very high | 85.6 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 56% | 0.559 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 146.4 | 172.8 | 59.9 | 0 | 0 | 0 | 0 | 110.6 | V593 | S173-V593 CarbonylContact C-O 3.38Å; S173-V593 WeakPolarHBondContact CA-O 3.5Å |
| 174 | F | 94.3 | Very high | 85.4 | Confident | 54 Ų | 54 | 67.9 Ų | 67.9 | 24% | 0.237 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 146.7 | 174.7 | 174.1 | -89.1 | 0 | 0 | 0 | 109.8 | V548 D550 V555 A592 V593 | F174-V548 HydrophobicContact CB-CB 3.76Å; F174-V548 HydrophobicContact CB-CG1 3.44Å; F174-V548 VanDerWaalsContact CB-CG1 3.44Å; F174-V548 HydrophobicContact CB-CG2 4.39Å; F174-V548 HydrophobicContact CD1-CG1 3.98Å; F174-V548 HydrophobicContact CD2-CG1 3.94Å; F174-V548 HydrophobicContact CG-CB 4.28Å; F174-V548 HydrophobicContact CG-CG1 3.52Å; F174-D550 HydrophobicContact CE2-CB 4.16Å; F174-D550 HydrophobicContact CZ-CB 4.13Å; F174-V555 HydrophobicContact CD1-CG1 4.33Å; F174-V555 HydrophobicContact CE1-CG1 4.12Å; F174-V555 HydrophobicContact CE1-CG2 4.06Å; F174-V555 HydrophobicContact CZ-CG2 4.33Å; F174-A592 WeakPolarHBondContact O-CA 3.32Å; F174-V593 HydrophobicContact CB-CB 4.28Å; F174-V593 HydrophobicContact CD1-CG2 4.37Å; F174-V593 PolarHBondContact N-O 3.24Å; F174-V593 PolarHBondContact O-N 3.07Å |
| 175 | G | 89.7 | Confident | 85.1 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 53% | 0.526 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 69 | -158.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A177 V591 | G175-A177 PolarHBondContact O-N 2.98Å; G175-V591 WeakPolarHBondContact CA-O 3.36Å |
| 176 | S | 79.8 | Confident | 84.5 | Confident | 103 Ų | 103 | 64 Ų | 64 | 72% | 0.72 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -81.6 | 60 | -176.7 | -63.7 | 0 | 0 | 0 | 0 | 112 | V591 | S176-V591 PolarHBondContact N-O 3.22Š|
| 177 | A | 66.1 | Low | 83.5 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 5% | 0.05 | 41% | 0.406 | C | S | . | . | trans | -88.1 | 3.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G175 W182 A592 Q594 | G175-A177 PolarHBondContact O-N 2.98Å; A177-W182 HydrophobicContact CB-CZ2 4.49Å; A177-A592 HydrophobicContact CB-CB 4.14Å; A177-Q594 HydrophobicContact CB-CG 4.09Å; A177-Q594 PolarHBondContact O-NE2 3.18Å; A177-Q594 VanDerWaalsContact O-NE2 3.12Å | ||
| 178 | Q | 52.6 | Low | 82.6 | Confident | 188 Ų | 188 | 60.8 Ų | 60.8 | 88% | 0.879 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -80.1 | 131.3 | -176.5 | -69.6 | -171.9 | -0.1 | 0 | 0 | 112.1 | V180 | Q178-V180 VanDerWaalsContact C-N 3.33Å; Q178-V180 PolarHBondContact O-N 3.41Å |
| 179 | G | 59.1 | Low | 81.7 | Confident | 89 Ų | 89 | 61.2 Ų | 61.2 | 92% | 0.918 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 78.5 | 1.5 | 167 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 180 | V | 55.8 | Low | 81 | Confident | 64 Ų | 64 | 63 Ų | 63 | 39% | 0.388 | 42% | 0.423 | S | S | . | . | trans | -86.5 | 118.5 | 179.6 | -170.9 | 0 | 0 | 0 | 0 | 109.6 | Q178 W182 Y575 | Q178-V180 VanDerWaalsContact C-N 3.33Å; Q178-V180 PolarHBondContact O-N 3.41Å; V180-W182 PolarHBondContact O-N 3.12Å; V180-Y575 HydrophobicContact CB-CE2 4.42Å; V180-Y575 HydrophobicContact CG1-CE2 3.6Å | ||
| 181 | S | 78.1 | Confident | 80.8 | Confident | 107 Ų | 107 | 61 Ų | 61 | 75% | 0.748 | 41% | 0.411 | S | S | * | . | trans | -62.3 | 106.9 | 161.5 | -179 | 0 | 0 | 0 | 0 | 107 | S183 | S181-S183 PolarHBondContact O-N 3.32Š| ||
| 182 | W | 89.2 | Confident | 80.6 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 4% | 0.038 | 41% | 0.409 | C | S | . | . | trans | -68.6 | 106.6 | -178.5 | -74.9 | 77.8 | 0 | 0 | 0 | 109.2 | A177 V180 M341 R573 Y575 A592 Q594 | A177-W182 HydrophobicContact CB-CZ2 4.49Å; V180-W182 PolarHBondContact O-N 3.12Å; W182-M341 HydrophobicContact CB-CE 4Å; W182-M341 HydrophobicContact CB-SD 4.41Å; W182-M341 HydrophobicContact CE3-CE 3.96Å; W182-M341 HydrophobicContact CE3-CG 4.35Å; W182-M341 HydrophobicContact CE3-SD 4.29Å; W182-R573 VanDerWaalsContact CB-CZ 3.42Å; W182-R573 VanDerWaalsContact CB-NH1 3.35Å; W182-R573 HydrophobicContact CD2-CG 3.73Å; W182-R573 VanDerWaalsContact CD2-NE 3.28Å; W182-R573 HydrophobicContact CE3-CB 3.79Å; W182-R573 VanDerWaalsContact CE3-CD 3.46Å; W182-R573 HydrophobicContact CE3-CG 3.46Å; W182-R573 VanDerWaalsContact CE3-CG 3.46Å; W182-R573 HydrophobicContact CG-CG 4.4Å; W182-R573 HydrophobicContact CH2-CG 4.05Å; W182-R573 VanDerWaalsContact CH2-O 3.26Å; W182-R573 WeakPolarHBondContact CH2-O 3.1Å; W182-R573 HydrophobicContact CZ2-CG 4.32Å; W182-R573 VanDerWaalsContact CZ3-C 3.45Å; W182-R573 HydrophobicContact CZ3-CB 3.8Å; W182-R573 HydrophobicContact CZ3-CG 3.63Å; W182-R573 WeakPolarHBondContact CZ3-O 3.49Å; W182-Y575 WeakPolarHBondContact CA-OH 3.45Å; W182-Y575 HydrophobicContact CD2-CD2 4.04Å; W182-Y575 AromaticContact CD2-CE2 3.58Å; W182-Y575 HydrophobicContact CD2-CE2 3.58Å; W182-Y575 AromaticContact CE3-CD2 3.56Å; W182-Y575 HydrophobicContact CE3-CD2 3.56Å; W182-Y575 AromaticContact CE3-CE2 3.34Å; W182-Y575 HydrophobicContact CE3-CE2 3.34Å; W182-Y575 HydrophobicContact CE3-CG 4.28Å; W182-Y575 AromaticContact CE3-CZ 3.93Å; W182-Y575 HydrophobicContact CG-CE2 4.16Å; W182-Y575 AromaticContact CH2-CD2 3.67Å; W182-Y575 HydrophobicContact CH2-CD2 3.67Å; W182-Y575 HydrophobicContact CH2-CE2 4.23Å; W182-Y575 HydrophobicContact CH2-CG 4.36Å; W182-Y575 HydrophobicContact CZ2-CD2 4.1Å; W182-Y575 HydrophobicContact CZ2-CE2 4.4Å; W182-Y575 AromaticContact CZ3-CD2 3.36Å; W182-Y575 HydrophobicContact CZ3-CD2 3.36Å; W182-Y575 AromaticContact CZ3-CE2 3.7Å; W182-Y575 HydrophobicContact CZ3-CE2 3.7Å; W182-Y575 AromaticContact CZ3-CG 3.87Å; W182-Y575 HydrophobicContact CZ3-CG 3.87Å; W182-A592 HydrophobicContact CH2-CB 4.32Å; W182-A592 HydrophobicContact CZ2-CB 4.47Å; W182-Q594 HydrophobicContact CH2-CB 4.49Å; W182-Q594 HydrophobicContact CZ2-CB 3.9Å; W182-Q594 HydrophobicContact CZ2-CG 3.61Å; W182-Q594 VanDerWaalsContact NE1-NE2 3.16Å | ||
| 183 | S | 90.4 | Very high | 80.5 | Confident | 57 Ų | 57 | 60.4 Ų | 60.4 | 40% | 0.399 | 41% | 0.407 | S | S | . | . | trans | -145.4 | 136.6 | 171.9 | -171.1 | 0 | 0 | 0 | 0 | 109.4 | S181 M341 D370 Y575 | S181-S183 PolarHBondContact O-N 3.32Å; S183-M341 VanDerWaalsContact C-SD 3.51Å; S183-D370 CarbonylContact C-O 3.52Å; S183-D370 WeakPolarHBondContact CA-O 3.28Å; S183-D370 PolarHBondContact OG-O 2.9Å; S183-D370 VanDerWaalsContact OG-O 3.11Å; S183-Y575 PolarHBondContact N-OH 2.93Å; S183-Y575 PolarHBondContact O-OH 3.44Å | ||
| 184 | G | 89.2 | Confident | 80.5 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 13% | 0.134 | 40% | 0.404 | C | S | . | . | trans | -90.9 | -176.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G186 M341 D370 R371 D373 | G184-G186 VanDerWaalsContact C-N 3.31Å; G184-M341 PolarHBondContact N-SD 3.02Å; G184-M341 VanDerWaalsContact N-SD 3.36Å; G184-D370 PolarHBondContact N-O 3.44Å; G184-R371 CarbonylContact C-O 3.56Å; G184-R371 WeakPolarHBondContact CA-O 3.23Å; G184-R371 PolarHBondContact N-O 3.41Å; G184-D373 WeakPolarHBondContact CA-OD2 3.14Å | ||
| 185 | R | 88.3 | Confident | 80.5 | Confident | 80 Ų | 80 | 61.5 Ų | 61.5 | 30% | 0.302 | 41% | 0.405 | S | S | . | . | trans | -93 | 6 | 171.7 | -63.8 | -170.5 | -61.8 | -89.8 | -26.2 | 112.2 | G187 A188 E338 Q339 D373 | R185-G187 PolarHBondContact O-N 2.64Å; R185-A188 HydrophobicContact CB-CB 4.23Å; R185-A188 WeakPolarHBondContact CB-O 3.35Å; R185-A188 PolarHBondContact NE-O 2.86Å; R185-A188 WeakPolarHBondContact O-CB 3.23Å; R185-A188 PolarHBondContact O-N 2.93Å; R185-E338 IonicContact CZ-OE2 3.41Å; R185-E338 IonicContact NE-OE2 3.6Å; R185-E338 IonicContact NH1-OE2 3.09Å; R185-E338 PolarHBondContact NH1-OE2 2.98Å; R185-E338 IonicContact NH2-OE2 3.66Å; R185-Q339 VanDerWaalsContact CZ-O 3.24Å; R185-Q339 PolarHBondContact NH1-O 3.02Å; R185-Q339 PolarHBondContact NH2-O 3.09Å; R185-D373 PolarHBondContact N-OD1 2.85Å; R185-D373 IonicContact NH2-OD1 2.8Å | ||
| 186 | G | 82 | Confident | 80.5 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | -116.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G184 R371 D373 S416 G417 | G184-G186 VanDerWaalsContact C-N 3.31Å; G186-R371 WeakPolarHBondContact CA-O 3.41Å; G186-R371 PolarHBondContact N-O 2.67Å; G186-D373 WeakPolarHBondContact O-CA 3.33Å; G186-S416 WeakPolarHBondContact CA-O 3.38Å; G186-G417 CarbonylContact C-O 3.56Å |
| 187 | G | 73.3 | Confident | 80.2 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 5 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | R185 G189 G417 | R185-G187 PolarHBondContact O-N 2.64Å; G187-G189 PolarHBondContact O-N 2.8Å; G187-G417 WeakPolarHBondContact CA-O 3.46Å; G187-G417 PolarHBondContact N-O 2.87Å; G187-G417 VanDerWaalsContact N-O 3.09Å |
| 188 | A | 75.8 | Confident | 79.8 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 50% | 0.504 | 41% | 0.405 | S | S | . | . | trans | -87.2 | 110.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R185 | R185-A188 HydrophobicContact CB-CB 4.23Å; R185-A188 WeakPolarHBondContact CB-O 3.35Å; R185-A188 PolarHBondContact NE-O 2.86Å; R185-A188 WeakPolarHBondContact O-CB 3.23Å; R185-A188 PolarHBondContact O-N 2.93Å | ||
| 189 | G | 73.9 | Confident | 80.2 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 56% | 0.557 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 129.1 | -179.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G187 | G187-G189 PolarHBondContact O-N 2.8Š|
| 190 | N | 82.4 | Confident | 81.1 | Confident | 132 Ų | 132 | 61.5 Ų | 61.5 | 71% | 0.706 | 39% | 0.385 | S | S | * | . | trans | -88.9 | 110.7 | 176.1 | -151.7 | 5.1 | 0 | 0 | 0 | 108.6 | ||||
| 191 | I | 89.6 | Confident | 82.5 | Confident | 24 Ų | 24 | 60.6 Ų | 60.6 | 12% | 0.123 | 38% | 0.379 | C | S | . | . | trans | -109.9 | 117.3 | 174.9 | -59 | -59.4 | 0 | 0 | 0 | 108.1 | L193 D373 V374 | I191-L193 HydrophobicContact CG2-CD2 4.33Å; I191-L193 HydrophobicContact CG2-CG 4.08Å; I191-D373 HydrophobicContact CD1-CB 3.81Å; I191-D373 HydrophobicContact CG1-CB 4.47Å; I191-V374 HydrophobicContact CG2-CG2 4.09Å | ||
| 192 | S | 92.4 | Very high | 83 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | trans | -105.7 | 110.3 | 176.4 | 170.4 | 0 | 0 | 0 | 0 | 109.4 | K194 N465 | S192-K194 WeakPolarHBondContact OG-CE 3.34Å; S192-N465 PolarHBondContact N-OD1 3.08Å; S192-N465 PolarHBondContact O-N 3.26Å | ||
| 193 | L | 94.3 | Very high | 83 | Confident | 33 Ų | 33 | 61.1 Ų | 61.1 | 17% | 0.173 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 115.4 | 171.3 | -62.2 | 177.8 | 0 | 0 | 0 | 109.5 | I191 V374 H419 V421 S463 I464 | I191-L193 HydrophobicContact CG2-CD2 4.33Å; I191-L193 HydrophobicContact CG2-CG 4.08Å; L193-V374 HydrophobicContact CD2-CG1 4.33Å; L193-V374 HydrophobicContact CD2-CG2 3.98Å; L193-H419 HydrophobicContact CD1-CB 3.69Å; L193-V421 HydrophobicContact CD1-CG2 4.17Å; L193-S463 WeakPolarHBondContact CA-O 3.41Å; L193-I464 HydrophobicContact CD2-CB 4.21Å; L193-I464 HydrophobicContact CD2-CD1 4.39Å; L193-I464 HydrophobicContact CD2-CG1 3.77Å; L193-I464 HydrophobicContact CD2-CG2 3.98Å |
| 194 | K | 94.3 | Very high | 82.8 | Confident | 116 Ų | 116 | 60 Ų | 60 | 50% | 0.504 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 121.9 | -179.9 | -63 | 174.2 | -177.3 | 169.1 | 0 | 109.5 | S192 L196 S463 | S192-K194 WeakPolarHBondContact OG-CE 3.34Å; K194-L196 WeakPolarHBondContact O-CD1 3.11Å; K194-S463 PolarHBondContact N-O 3.41Å; K194-S463 PolarHBondContact O-N 2.91Å |
| 195 | V | 94.2 | Very high | 82.8 | Confident | 41 Ų | 41 | 64 Ų | 64 | 25% | 0.248 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 128.7 | 172.4 | -171.3 | 0 | 0 | 0 | 0 | 108.5 | V201 Q454 V456 L462 | V195-V201 HydrophobicContact CB-CG1 4.08Å; V195-V201 HydrophobicContact CB-CG2 4.05Å; V195-V201 HydrophobicContact CG1-CB 4.29Å; V195-V201 HydrophobicContact CG1-CG1 3.45Å; V195-V201 VanDerWaalsContact CG1-CG1 3.45Å; V195-V201 HydrophobicContact CG1-CG2 3.77Å; V195-Q454 VanDerWaalsContact CG2-NE2 3.32Å; V195-V456 HydrophobicContact CG2-CG1 3.86Å; V195-L462 HydrophobicContact CG2-CD1 4.15Å |
| 196 | L | 90.4 | Very high | 82.9 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 25% | 0.246 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 123.6 | 174.5 | -64.3 | 86.5 | 0 | 0 | 0 | 108.1 | K194 S461 S463 I468 | K194-L196 WeakPolarHBondContact O-CD1 3.11Å; L196-S461 PolarHBondContact N-O 3.49Å; L196-S463 VanDerWaalsContact CD1-CB 3.44Å; L196-I468 HydrophobicContact CD1-CD1 4.13Å; L196-I468 HydrophobicContact CD2-CD1 3.9Å |
| 197 | G | 72.3 | Confident | 83.1 | Confident | 35 Ų | 35 | 71.8 Ų | 71.8 | 36% | 0.361 | 44% | 0.437 | S | S | . | . | trans | -131.7 | 144.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 198 | C | 58.3 | Low | 83.5 | Confident | 104 Ų | 104 | 71 Ų | 71 | 70% | 0.703 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -141.7 | 105.9 | 173.2 | -150.8 | 0 | 0 | 0 | 0 | 107 | ||
| 199 | P | 59.9 | Low | 84.1 | Confident | 107 Ų | 107 | 77.1 Ų | 77.1 | 70% | 0.695 | 45% | 0.446 | S | S | * | . | S | Bend | cis | -83.6 | -31.8 | 13.8 | -7.7 | 25.4 | 0 | 0 | 0 | 115.3 | ||
| 200 | E | 79 | Confident | 85 | Confident | 144 Ų | 144 | 81.9 Ų | 81.9 | 67% | 0.673 | 45% | 0.451 | S | S | * | . | trans | -138.5 | 162.1 | -177.9 | -68.4 | -174.4 | 175.3 | 0 | 0 | 110.3 | Y528 | E200-Y528 WeakPolarHBondContact O-CE1 3.16Š| ||
| 201 | V | 84.5 | Confident | 85.7 | Confident | 44 Ų | 44 | 78.3 Ų | 78.3 | 27% | 0.267 | 43% | 0.43 | S | S | . | . | trans | -85.7 | 138.5 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | V195 T203 | V195-V201 HydrophobicContact CB-CG1 4.08Å; V195-V201 HydrophobicContact CB-CG2 4.05Å; V195-V201 HydrophobicContact CG1-CB 4.29Å; V195-V201 HydrophobicContact CG1-CG1 3.45Å; V195-V201 VanDerWaalsContact CG1-CG1 3.45Å; V195-V201 HydrophobicContact CG1-CG2 3.77Å; V201-T203 HydrophobicContact CB-CG2 4.36Å; V201-T203 HydrophobicContact CG1-CG2 4.34Å; V201-T203 PolarHBondContact O-N 2.79Å | ||
| 202 | L | 89.9 | Confident | 86 | Confident | 7 Ų | 7 | 82.7 Ų | 82.7 | 4% | 0.037 | 45% | 0.448 | C | S | . | . | trans | -68.6 | 101 | 171 | -177.2 | 60.8 | 0 | 0 | 0 | 109.7 | G204 Y206 P436 P438 P439 Y528 | L202-G204 WeakPolarHBondContact CD1-O 3.42Å; L202-Y206 HydrophobicContact CD1-CD1 4.08Å; L202-Y206 HydrophobicContact CD2-CD1 4.46Å; L202-Y206 HydrophobicContact CD2-CE1 4.29Å; L202-P436 HydrophobicContact CD2-CB 4.5Å; L202-P438 HydrophobicContact CD2-CB 4.24Å; L202-P438 HydrophobicContact CG-CB 4.28Å; L202-P439 WeakPolarHBondContact O-CD 3.46Å; L202-P439 WeakPolarHBondContact O-CG 3.42Å; L202-Y528 HydrophobicContact CB-CD1 3.75Å; L202-Y528 HydrophobicContact CB-CD2 4.39Å; L202-Y528 HydrophobicContact CB-CE1 3.99Å; L202-Y528 HydrophobicContact CB-CG 3.95Å; L202-Y528 HydrophobicContact CD1-CD2 4.34Å; L202-Y528 HydrophobicContact CD1-CE2 4.05Å | ||
| 203 | T | 88.3 | Confident | 86.3 | Confident | 122 Ų | 122 | 88.4 Ų | 88.4 | 75% | 0.748 | 48% | 0.477 | S | S | * | . | trans | -101.6 | -16.6 | -177 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | V201 | V201-T203 HydrophobicContact CB-CG2 4.36Å; V201-T203 HydrophobicContact CG1-CG2 4.34Å; V201-T203 PolarHBondContact O-N 2.79Å | ||
| 204 | G | 87.5 | Confident | 86.5 | Confident | 34 Ų | 34 | 91 Ų | 91 | 35% | 0.351 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -145.7 | 166.7 | -173 | 0 | 0 | 0 | 0 | 0 | 112.5 | L202 P438 | L202-G204 WeakPolarHBondContact CD1-O 3.42Å; G204-P438 WeakPolarHBondContact O-CB 3.35Å |
| 205 | S | 88.9 | Confident | 86.6 | Confident | 95 Ų | 95 | 87.9 Ų | 87.9 | 66% | 0.664 | 48% | 0.484 | S | S | * | . | trans | -61.3 | 145.1 | 173.8 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 206 | Y | 89.6 | Confident | 86.8 | Confident | 41 Ų | 41 | 87.2 Ų | 87.2 | 16% | 0.161 | 48% | 0.479 | C | S | . | . | trans | -123.1 | 165.7 | 176.7 | 64.7 | -85.2 | 0 | 0 | 0 | 109.3 | L202 S208 P436 D521 T524 | L202-Y206 HydrophobicContact CD1-CD1 4.08Å; L202-Y206 HydrophobicContact CD2-CD1 4.46Å; L202-Y206 HydrophobicContact CD2-CE1 4.29Å; Y206-S208 PolarHBondContact O-N 2.97Å; Y206-S208 VanDerWaalsContact O-N 3.15Å; Y206-P436 VanDerWaalsContact CE1-O 3.28Å; Y206-P436 WeakPolarHBondContact CE1-O 3.18Å; Y206-P436 PolarHBondContact OH-O 2.93Å; Y206-D521 HydrophobicContact CE2-CB 4.07Å; Y206-T524 HydrophobicContact CD1-CG2 4.11Å; Y206-T524 HydrophobicContact CD2-CG2 4.25Å; Y206-T524 WeakPolarHBondContact CD2-OG1 3.3Å; Y206-T524 HydrophobicContact CE1-CG2 3.71Å; Y206-T524 HydrophobicContact CE2-CG2 3.86Å; Y206-T524 WeakPolarHBondContact CE2-OG1 3.19Å; Y206-T524 HydrophobicContact CG-CG2 4.37Å | ||
| 207 | K | 85.5 | Confident | 87.1 | Confident | 204 Ų | 204 | 91.4 Ų | 91.4 | 89% | 0.887 | 49% | 0.492 | S | S | * | . | trans | -76.9 | 104.8 | 177.7 | -70 | -178 | 179.5 | -179.6 | 0 | 109.2 | ||||
| 208 | S | 83 | Confident | 88.4 | Confident | 26 Ų | 26 | 93.5 Ų | 93.5 | 18% | 0.182 | 49% | 0.492 | C | S | . | . | trans | -93.8 | -167.8 | 169.6 | 66.8 | 0 | 0 | 0 | 0 | 110.1 | Y206 F210 E432 | Y206-S208 PolarHBondContact O-N 2.97Å; Y206-S208 VanDerWaalsContact O-N 3.15Å; S208-F210 PolarHBondContact O-N 3.37Å; S208-E432 PolarHBondContact OG-OE1 2.99Å | ||
| 209 | M | 87 | Confident | 90.2 | Very high | 189 Ų | 189 | 89.2 Ų | 89.2 | 93% | 0.931 | 46% | 0.463 | S | S | * | . | S | Bend | trans | 82.6 | -13.5 | 170.9 | -154.5 | -171.7 | -165.3 | 0 | 0 | 117.2 | ||
| 210 | F | 94.4 | Very high | 92.1 | Very high | 154 Ų | 154 | 85 Ų | 85 | 68% | 0.675 | 43% | 0.434 | S | S | * | . | trans | -142.1 | 122.2 | 173.9 | 178.2 | -91.1 | 0 | 0 | 0 | 110.8 | S208 K212 | S208-F210 PolarHBondContact O-N 3.37Å; F210-K212 HydrophobicContact CE1-CD 4.43Å; F210-K212 HydrophobicContact CE1-CG 3.55Å; F210-K212 HydrophobicContact CZ-CG 4.02Å | ||
| 211 | Q | 96.1 | Very high | 93 | Very high | 56 Ų | 56 | 78.8 Ų | 78.8 | 26% | 0.262 | 41% | 0.406 | S | S | . | . | trans | -125.8 | 141.1 | 174.2 | -67.4 | 176.3 | 78.7 | 0 | 0 | 109 | I216 I520 D521 | Q211-I216 HydrophobicContact CB-CD1 3.88Å; Q211-I216 HydrophobicContact CB-CG1 4.15Å; Q211-I520 PolarHBondContact NE2-O 2.55Å; Q211-D521 WeakPolarHBondContact CG-OD2 3.28Å | ||
| 212 | K | 97 | Very high | 93.6 | Very high | 116 Ų | 116 | 77.8 Ų | 77.8 | 50% | 0.504 | 40% | 0.401 | S | S | . | . | trans | -90.9 | 135.8 | 172.5 | -48.5 | 179 | -167.2 | 144.6 | 0 | 109 | F210 P214 D215 I216 | F210-K212 HydrophobicContact CE1-CD 4.43Å; F210-K212 HydrophobicContact CE1-CG 3.55Å; F210-K212 HydrophobicContact CZ-CG 4.02Å; K212-P214 VanDerWaalsContact C-N 3.29Å; K212-D215 WeakPolarHBondContact CB-OD2 3.12Å; K212-D215 WeakPolarHBondContact CD-OD2 3.48Å; K212-D215 PolarHBondContact O-N 2.91Å; K212-I216 PolarHBondContact O-N 3.25Å; K212-I216 VanDerWaalsContact O-N 3.17Å | ||
| 213 | L | 97.9 | Very high | 93.9 | Very high | 142 Ų | 142 | 79 Ų | 79 | 74% | 0.743 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -53.9 | -38 | 177.6 | -56.6 | 176.7 | 0 | 0 | 0 | 113.8 | D215 I216 R217 | L213-D215 VanDerWaalsContact C-N 3.3Å; L213-D215 PolarHBondContact O-N 3.33Å; L213-I216 HydrophobicContact CD2-CD1 4.49Å; L213-I216 PolarHBondContact O-N 3.49Å; L213-R217 WeakPolarHBondContact O-CB 3.5Å; L213-R217 PolarHBondContact O-N 3.19Å |
| 214 | P | 98.1 | Very high | 94.4 | Very high | 87 Ų | 87 | 73.3 Ų | 73.3 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.1 | -35.8 | 174.3 | -25.5 | 36.9 | 0 | 0 | 0 | 114 | K212 R217 E218 | K212-P214 VanDerWaalsContact C-N 3.29Å; P214-R217 WeakPolarHBondContact O-CB 3.24Å; P214-R217 PolarHBondContact O-N 3.38Å; P214-E218 PolarHBondContact O-N 3.49Å |
| 215 | D | 97.2 | Very high | 94.9 | Very high | 50 Ų | 50 | 73.5 Ų | 73.5 | 27% | 0.267 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74.6 | -40.2 | -177.7 | -56.5 | -29.3 | 0 | 0 | 0 | 109.9 | K212 L213 R217 E218 V219 E523 | K212-D215 WeakPolarHBondContact CB-OD2 3.12Å; K212-D215 WeakPolarHBondContact CD-OD2 3.48Å; K212-D215 PolarHBondContact O-N 2.91Å; L213-D215 VanDerWaalsContact C-N 3.3Å; L213-D215 PolarHBondContact O-N 3.33Å; D215-R217 VanDerWaalsContact C-N 3.33Å; D215-R217 PolarHBondContact O-N 3.44Å; D215-E218 WeakPolarHBondContact O-CB 3.45Å; D215-E218 PolarHBondContact O-N 2.76Å; D215-V219 PolarHBondContact O-N 2.76Å; D215-V219 VanDerWaalsContact O-N 3.07Å; D215-E523 HydrophobicContact CB-CG 4.15Å |
| 216 | I | 97.8 | Very high | 95.3 | Very high | 27 Ų | 27 | 73.3 Ų | 73.3 | 14% | 0.138 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 170.5 | -60 | 175.3 | 0 | 0 | 0 | 110.6 | Q211 K212 L213 E218 V219 L220 Y522 | Q211-I216 HydrophobicContact CB-CD1 3.88Å; Q211-I216 HydrophobicContact CB-CG1 4.15Å; K212-I216 PolarHBondContact O-N 3.25Å; K212-I216 VanDerWaalsContact O-N 3.17Å; L213-I216 HydrophobicContact CD2-CD1 4.49Å; L213-I216 PolarHBondContact O-N 3.49Å; I216-E218 VanDerWaalsContact C-N 3.27Å; I216-E218 PolarHBondContact O-N 3.37Å; I216-V219 PolarHBondContact O-N 2.98Å; I216-L220 HydrophobicContact CG2-CD1 3.92Å; I216-L220 HydrophobicContact CG2-CG 4.43Å; I216-L220 WeakPolarHBondContact O-CG 3.22Å; I216-L220 PolarHBondContact O-N 2.82Å; I216-Y522 HydrophobicContact CD1-CD2 4.24Å; I216-Y522 HydrophobicContact CG1-CD2 4.09Å; I216-Y522 HydrophobicContact CG2-CD2 3.77Å; I216-Y522 HydrophobicContact CG2-CE2 4.25Å; I216-Y522 HydrophobicContact CG2-CG 4.03Å |
| 217 | R | 97.8 | Very high | 95.8 | Very high | 136 Ų | 136 | 72 Ų | 72 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59 | -40.6 | 177 | 179.5 | -174.4 | 177.3 | -133.4 | 2.4 | 111.3 | L213 P214 D215 L220 T221 | L213-R217 WeakPolarHBondContact O-CB 3.5Å; L213-R217 PolarHBondContact O-N 3.19Å; P214-R217 WeakPolarHBondContact O-CB 3.24Å; P214-R217 PolarHBondContact O-N 3.38Å; D215-R217 VanDerWaalsContact C-N 3.33Å; D215-R217 PolarHBondContact O-N 3.44Å; R217-L220 PolarHBondContact O-N 3.31Å; R217-T221 WeakPolarHBondContact O-CB 3.34Å; R217-T221 PolarHBondContact O-N 3.36Å; R217-T221 PolarHBondContact O-OG1 3.31Å |
| 218 | E | 98 | Very high | 96.4 | Very high | 78 Ų | 78 | 62.3 Ų | 62.3 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.8 | -49.9 | 177 | -164.4 | 64 | -147.4 | 0 | 0 | 110.8 | P214 D215 I216 L220 T221 C222 R276 | P214-E218 PolarHBondContact O-N 3.49Å; D215-E218 WeakPolarHBondContact O-CB 3.45Å; D215-E218 PolarHBondContact O-N 2.76Å; I216-E218 VanDerWaalsContact C-N 3.27Å; I216-E218 PolarHBondContact O-N 3.37Å; E218-L220 VanDerWaalsContact C-N 3.34Å; E218-L220 PolarHBondContact O-N 2.86Å; E218-T221 WeakPolarHBondContact O-CB 3.31Å; E218-T221 PolarHBondContact O-N 3.34Å; E218-T221 VanDerWaalsContact O-N 3.09Å; E218-C222 PolarHBondContact O-N 3.46Å; E218-C222 PolarHBondContact O-SG 3.23Å; E218-C222 VanDerWaalsContact O-SG 3.32Å; E218-R276 VanDerWaalsContact CD-NH1 3.35Å; E218-R276 IonicContact OE1-CZ 3.59Å; E218-R276 IonicContact OE1-NH1 3.58Å; E218-R276 PolarHBondContact OE1-NH1 2.77Å; E218-R276 IonicContact OE1-NH2 3.98Å; E218-R276 PolarHBondContact OE1-NH2 3.4Å; E218-R276 IonicContact OE2-CZ 2.72Å; E218-R276 IonicContact OE2-NH1 2.82Å; E218-R276 PolarHBondContact OE2-NH1 2.89Å; E218-R276 IonicContact OE2-NH2 3.53Å |
| 219 | V | 97.7 | Very high | 97.1 | Very high | 15 Ų | 15 | 64 Ų | 64 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 179.2 | 169.9 | 0 | 0 | 0 | 0 | 112 | D215 I216 T221 C222 K223 Y522 Y526 | D215-V219 PolarHBondContact O-N 2.76Å; D215-V219 VanDerWaalsContact O-N 3.07Å; I216-V219 PolarHBondContact O-N 2.98Å; V219-T221 VanDerWaalsContact C-N 3.31Å; V219-T221 PolarHBondContact O-N 2.9Å; V219-C222 PolarHBondContact O-N 3.44Å; V219-K223 WeakPolarHBondContact O-CB 3.46Å; V219-K223 PolarHBondContact O-N 3.19Å; V219-Y522 HydrophobicContact CG1-CD1 4.45Å; V219-Y526 HydrophobicContact CG1-CD2 4.27Å; V219-Y526 HydrophobicContact CG1-CG 4.36Å; V219-Y526 HydrophobicContact CG2-CG 4.39Å |
| 220 | L | 97.9 | Very high | 97.6 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.7 | -35 | 178.8 | -65.4 | 169 | 0 | 0 | 0 | 112.1 | I216 R217 E218 I224 Y512 Y522 | I216-L220 HydrophobicContact CG2-CD1 3.92Å; I216-L220 HydrophobicContact CG2-CG 4.43Å; I216-L220 WeakPolarHBondContact O-CG 3.22Å; I216-L220 PolarHBondContact O-N 2.82Å; R217-L220 PolarHBondContact O-N 3.31Å; E218-L220 VanDerWaalsContact C-N 3.34Å; E218-L220 PolarHBondContact O-N 2.86Å; L220-I224 WeakPolarHBondContact O-CG1 3.38Å; L220-I224 PolarHBondContact O-N 2.9Å; L220-Y512 HydrophobicContact CD1-CE1 3.89Å; L220-Y512 HydrophobicContact CD1-CE2 3.77Å; L220-Y512 WeakPolarHBondContact CD1-OH 3.29Å; L220-Y512 HydrophobicContact CD2-CD1 4.19Å; L220-Y512 HydrophobicContact CD2-CD2 3.79Å; L220-Y512 HydrophobicContact CD2-CE1 4.15Å; L220-Y512 HydrophobicContact CD2-CE2 3.75Å; L220-Y512 HydrophobicContact CD2-CG 4.02Å; L220-Y512 HydrophobicContact CG-CE2 4.38Å; L220-Y522 HydrophobicContact CD2-CE1 4.36Å |
| 221 | T | 97.9 | Very high | 97.8 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 7% | 0.074 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.8 | -51.3 | 175.1 | -58.6 | 0 | 0 | 0 | 0 | 110.3 | R217 E218 V219 K223 I224 E225 R276 | R217-T221 WeakPolarHBondContact O-CB 3.34Å; R217-T221 PolarHBondContact O-N 3.36Å; R217-T221 PolarHBondContact O-OG1 3.31Å; E218-T221 WeakPolarHBondContact O-CB 3.31Å; E218-T221 PolarHBondContact O-N 3.34Å; E218-T221 VanDerWaalsContact O-N 3.09Å; V219-T221 VanDerWaalsContact C-N 3.31Å; V219-T221 PolarHBondContact O-N 2.9Å; T221-K223 VanDerWaalsContact C-N 3.29Å; T221-K223 PolarHBondContact O-N 2.84Å; T221-I224 PolarHBondContact O-N 2.8Å; T221-E225 VanDerWaalsContact CG2-CD 3.42Å; T221-E225 HydrophobicContact CG2-CG 4.22Å; T221-E225 WeakPolarHBondContact CG2-OE1 3.41Å; T221-E225 WeakPolarHBondContact O-CG 3.35Å; T221-E225 PolarHBondContact O-N 3.48Å; T221-R276 HydrophobicContact CG2-CB 3.49Å; T221-R276 VanDerWaalsContact CG2-CB 3.49Å |
| 222 | C | 97.6 | Very high | 97.8 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 16% | 0.155 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.4 | -42.8 | 177 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | E218 V219 I224 E225 E226 Y526 | E218-C222 PolarHBondContact O-N 3.46Å; E218-C222 PolarHBondContact O-SG 3.23Å; E218-C222 VanDerWaalsContact O-SG 3.32Å; V219-C222 PolarHBondContact O-N 3.44Å; C222-I224 VanDerWaalsContact C-N 3.27Å; C222-I224 PolarHBondContact O-N 3.12Å; C222-E225 PolarHBondContact O-N 2.98Å; C222-E226 VanDerWaalsContact O-CB 3.26Å; C222-E226 WeakPolarHBondContact O-CB 3.48Å; C222-E226 VanDerWaalsContact O-CG 3.26Å; C222-E226 WeakPolarHBondContact O-CG 3.43Å; C222-E226 PolarHBondContact O-N 2.93Å; C222-Y526 HydrophobicContact CB-CE2 4Å |
| 223 | K | 97.4 | Very high | 97.9 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 14% | 0.139 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -52.8 | -43.3 | 175.2 | 176.2 | -173.7 | 174 | -170.5 | 0 | 112.4 | V219 T221 G299 V301 P510 | V219-K223 WeakPolarHBondContact O-CB 3.46Å; V219-K223 PolarHBondContact O-N 3.19Å; T221-K223 VanDerWaalsContact C-N 3.29Å; T221-K223 PolarHBondContact O-N 2.84Å; K223-G299 WeakPolarHBondContact CE-O 3.3Å; K223-G299 PolarHBondContact NZ-O 3.42Å; K223-V301 HydrophobicContact CD-CG2 4.45Å; K223-V301 HydrophobicContact CG-CG2 4.01Å; K223-P510 PolarHBondContact NZ-O 3.43Å |
| 224 | I | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75.2 | -46.4 | -179.3 | -58.3 | 167 | 0 | 0 | 0 | 110.3 | L220 T221 C222 G228 L254 Q256 D275 V301 | L220-I224 WeakPolarHBondContact O-CG1 3.38Å; L220-I224 PolarHBondContact O-N 2.9Å; T221-I224 PolarHBondContact O-N 2.8Å; C222-I224 VanDerWaalsContact C-N 3.27Å; C222-I224 PolarHBondContact O-N 3.12Å; I224-G228 WeakPolarHBondContact O-CA 3.45Å; I224-G228 PolarHBondContact O-N 3.4Å; I224-L254 HydrophobicContact CG2-CD1 4.04Å; I224-L254 HydrophobicContact CG2-CD2 4.12Å; I224-L254 HydrophobicContact CG2-CG 3.81Å; I224-Q256 HydrophobicContact CD1-CB 3.68Å; I224-Q256 HydrophobicContact CG1-CB 3.96Å; I224-D275 HydrophobicContact CB-CB 4.28Å; I224-D275 HydrophobicContact CG2-CB 3.77Å; I224-V301 HydrophobicContact CG1-CG2 4.25Å; I224-V301 HydrophobicContact CG2-CG1 4.32Å |
| 225 | E | 98.3 | Very high | 97.8 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 17% | 0.173 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.1 | -43.5 | -174.3 | -69.3 | 175.1 | 177.5 | 0 | 0 | 112 | T221 C222 G228 S229 D275 R276 E277 | T221-E225 VanDerWaalsContact CG2-CD 3.42Å; T221-E225 HydrophobicContact CG2-CG 4.22Å; T221-E225 WeakPolarHBondContact CG2-OE1 3.41Å; T221-E225 WeakPolarHBondContact O-CG 3.35Å; T221-E225 PolarHBondContact O-N 3.48Å; C222-E225 PolarHBondContact O-N 2.98Å; E225-G228 PolarHBondContact O-N 2.95Å; E225-S229 VanDerWaalsContact O-CB 3.27Å; E225-S229 WeakPolarHBondContact O-CB 3.32Å; E225-S229 PolarHBondContact O-N 3.4Å; E225-D275 HydrophobicContact CG-CB 3.81Å; E225-R276 PolarHBondContact OE1-N 2.81Å; E225-E277 WeakPolarHBondContact OE1-CB 3.4Å; E225-E277 PolarHBondContact OE1-N 3.02Å |
| 226 | E | 97.7 | Very high | 97.9 | Very high | 91 Ų | 91 | 58.3 Ų | 58.3 | 43% | 0.425 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66 | -52.2 | -179.5 | -70.9 | 168.2 | -170.6 | 0 | 0 | 112 | C222 G228 S229 E230 Y526 | C222-E226 VanDerWaalsContact O-CB 3.26Å; C222-E226 WeakPolarHBondContact O-CB 3.48Å; C222-E226 VanDerWaalsContact O-CG 3.26Å; C222-E226 WeakPolarHBondContact O-CG 3.43Å; C222-E226 PolarHBondContact O-N 2.93Å; E226-G228 VanDerWaalsContact C-N 3.32Å; E226-G228 PolarHBondContact O-N 3.26Å; E226-S229 WeakPolarHBondContact O-CB 3.38Å; E226-S229 PolarHBondContact O-N 2.78Å; E226-E230 PolarHBondContact O-N 3.26Å; E226-E230 VanDerWaalsContact O-N 3.17Å; E226-Y526 PolarHBondContact OE1-OH 3.44Å |
| 227 | L | 98.3 | Very high | 97.8 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.2 | -37.1 | 177.8 | -178.7 | 53.8 | 0 | 0 | 0 | 111 | S229 E230 L231 V301 | L227-S229 PolarHBondContact O-N 3.15Å; L227-E230 PolarHBondContact O-N 2.99Å; L227-L231 HydrophobicContact CD1-CD1 4.15Å; L227-L231 HydrophobicContact CD1-CG 4.02Å; L227-L231 HydrophobicContact CG-CD1 3.98Å; L227-L231 HydrophobicContact CG-CG 4.33Å; L227-L231 WeakPolarHBondContact O-CB 3.45Å; L227-L231 WeakPolarHBondContact O-CG 3.48Å; L227-L231 PolarHBondContact O-N 2.96Å; L227-V301 HydrophobicContact CB-CG1 4.24Å; L227-V301 HydrophobicContact CD2-CB 3.75Å; L227-V301 HydrophobicContact CD2-CG1 4.1Å; L227-V301 HydrophobicContact CD2-CG2 4.23Å; L227-V301 HydrophobicContact CG-CB 4.4Å; L227-V301 HydrophobicContact CG-CG1 4.19Å |
| 228 | G | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I224 E225 E226 L231 K232 | I224-G228 WeakPolarHBondContact O-CA 3.45Å; I224-G228 PolarHBondContact O-N 3.4Å; E225-G228 PolarHBondContact O-N 2.95Å; E226-G228 VanDerWaalsContact C-N 3.32Å; E226-G228 PolarHBondContact O-N 3.26Å; G228-L231 PolarHBondContact O-N 3.45Å; G228-K232 VanDerWaalsContact O-CB 3.25Å; G228-K232 WeakPolarHBondContact O-CB 3.41Å; G228-K232 PolarHBondContact O-N 3.17Å |
| 229 | S | 98.1 | Very high | 97.6 | Very high | 62 Ų | 62 | 59.6 Ų | 59.6 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61 | -48.6 | 176.4 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | E225 E226 L227 L231 K232 E233 | E225-S229 VanDerWaalsContact O-CB 3.27Å; E225-S229 WeakPolarHBondContact O-CB 3.32Å; E225-S229 PolarHBondContact O-N 3.4Å; E226-S229 WeakPolarHBondContact O-CB 3.38Å; E226-S229 PolarHBondContact O-N 2.78Å; L227-S229 PolarHBondContact O-N 3.15Å; S229-L231 PolarHBondContact O-N 2.96Å; S229-K232 WeakPolarHBondContact O-CB 3.25Å; S229-K232 PolarHBondContact O-N 3.38Å; S229-E233 PolarHBondContact O-N 3.42Å |
| 230 | E | 97.8 | Very high | 97.6 | Very high | 88 Ų | 88 | 59.6 Ų | 59.6 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 178.4 | -75.5 | -159.1 | -135.7 | 0 | 0 | 113.4 | E226 L227 K232 E233 H234 R506 | E226-E230 PolarHBondContact O-N 3.26Å; E226-E230 VanDerWaalsContact O-N 3.17Å; L227-E230 PolarHBondContact O-N 2.99Å; E230-K232 VanDerWaalsContact C-N 3.31Å; E230-E233 PolarHBondContact O-N 2.97Å; E230-H234 WeakPolarHBondContact O-CB 3.46Å; E230-H234 PolarHBondContact O-N 3.45Å; E230-R506 IonicContact OE1-CZ 3.11Å; E230-R506 IonicContact OE1-NH1 2.64Å; E230-R506 PolarHBondContact OE1-NH1 2.81Å; E230-R506 IonicContact OE2-CZ 4Å; E230-R506 IonicContact OE2-NH1 2.74Å; E230-R506 PolarHBondContact OE2-NH1 3.02Å; E230-R506 IonicContact OE2-NH2 3.9Å; E230-R506 PolarHBondContact OE2-NH2 3.36Å |
| 231 | L | 97.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 175.7 | -69 | 174.8 | 0 | 0 | 0 | 111.4 | L227 G228 S229 H234 Y235 I303 V323 | L227-L231 HydrophobicContact CD1-CD1 4.15Å; L227-L231 HydrophobicContact CD1-CG 4.02Å; L227-L231 HydrophobicContact CG-CD1 3.98Å; L227-L231 HydrophobicContact CG-CG 4.33Å; L227-L231 WeakPolarHBondContact O-CB 3.45Å; L227-L231 WeakPolarHBondContact O-CG 3.48Å; L227-L231 PolarHBondContact O-N 2.96Å; G228-L231 PolarHBondContact O-N 3.45Å; S229-L231 PolarHBondContact O-N 2.96Å; L231-H234 PolarHBondContact O-N 3.47Å; L231-Y235 HydrophobicContact CD2-CE2 4.11Å; L231-Y235 WeakPolarHBondContact O-CB 3.46Å; L231-Y235 VanDerWaalsContact O-CD2 3.31Å; L231-Y235 WeakPolarHBondContact O-CD2 3.5Å; L231-Y235 PolarHBondContact O-N 2.89Å; L231-I303 HydrophobicContact CB-CD1 3.44Å; L231-I303 VanDerWaalsContact CB-CD1 3.44Å; L231-I303 HydrophobicContact CB-CG1 4.43Å; L231-I303 HydrophobicContact CD1-CD1 4.2Å; L231-I303 HydrophobicContact CD1-CG1 4.34Å; L231-I303 HydrophobicContact CG-CD1 4.47Å; L231-V323 HydrophobicContact CD2-CB 3.76Å; L231-V323 HydrophobicContact CD2-CG2 3.54Å |
| 232 | K | 97.8 | Very high | 97.6 | Very high | 64 Ų | 64 | 62.7 Ų | 62.7 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 173.9 | -173.6 | -174 | 178.3 | -178.6 | 0 | 111 | G228 S229 E230 K236 I237 E238 F240 | G228-K232 VanDerWaalsContact O-CB 3.25Å; G228-K232 WeakPolarHBondContact O-CB 3.41Å; G228-K232 PolarHBondContact O-N 3.17Å; S229-K232 WeakPolarHBondContact O-CB 3.25Å; S229-K232 PolarHBondContact O-N 3.38Å; E230-K232 VanDerWaalsContact C-N 3.31Å; K232-K236 WeakPolarHBondContact O-CA 3.33Å; K232-K236 PolarHBondContact O-N 2.94Å; K232-I237 WeakPolarHBondContact CE-O 3.41Å; K232-I237 HydrophobicContact CG-CB 3.98Å; K232-I237 HydrophobicContact CG-CG2 4.42Å; K232-I237 WeakPolarHBondContact CG-O 3.2Å; K232-I237 PolarHBondContact O-N 2.88Å; K232-E238 WeakPolarHBondContact CE-O 3.16Å; K232-E238 PolarHBondContact NZ-O 3.07Å; K232-E238 VanDerWaalsContact NZ-O 3.17Å; K232-F240 HydrophobicContact CB-CE2 3.9Å; K232-F240 HydrophobicContact CB-CZ 3.74Å; K232-F240 HydrophobicContact CD-CD2 4.41Å; K232-F240 HydrophobicContact CD-CE2 3.94Å; K232-F240 HydrophobicContact CD-CZ 4.42Å; K232-F240 HydrophobicContact CG-CE2 4.14Å; K232-F240 HydrophobicContact CG-CZ 4.12Å |
| 233 | E | 97.8 | Very high | 97.6 | Very high | 149 Ų | 149 | 61.6 Ų | 61.6 | 70% | 0.696 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.3 | -47.2 | 177.3 | -70.1 | -173.5 | 170.9 | 0 | 0 | 112 | S229 E230 Y235 K236 | S229-E233 PolarHBondContact O-N 3.42Å; E230-E233 PolarHBondContact O-N 2.97Å; E233-Y235 PolarHBondContact O-N 3.44Å; E233-K236 PolarHBondContact O-N 2.84Å |
| 234 | H | 97.5 | Very high | 97.6 | Very high | 110 Ų | 110 | 65 Ų | 65 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | -179.4 | 178.5 | -88.8 | 0 | 0 | 0 | 112.4 | E230 L231 K236 | E230-H234 WeakPolarHBondContact O-CB 3.46Å; E230-H234 PolarHBondContact O-N 3.45Å; L231-H234 PolarHBondContact O-N 3.47Å; H234-K236 VanDerWaalsContact C-N 3.33Å |
| 235 | Y | 97.8 | Very high | 97.5 | Very high | 71 Ų | 71 | 66.5 Ų | 66.5 | 28% | 0.278 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -86.8 | -0.9 | -180 | -70.6 | -67.2 | 0 | 0 | 0 | 114.1 | L231 E233 I237 Y320 E321 V323 | L231-Y235 HydrophobicContact CD2-CE2 4.11Å; L231-Y235 WeakPolarHBondContact O-CB 3.46Å; L231-Y235 VanDerWaalsContact O-CD2 3.31Å; L231-Y235 WeakPolarHBondContact O-CD2 3.5Å; L231-Y235 PolarHBondContact O-N 2.89Å; E233-Y235 PolarHBondContact O-N 3.44Å; Y235-I237 VanDerWaalsContact C-N 3.27Å; Y235-I237 PolarHBondContact O-N 2.88Å; Y235-Y320 AromaticContact CD1-CD1 3.65Å; Y235-Y320 HydrophobicContact CD1-CD1 3.65Å; Y235-Y320 AromaticContact CD1-CE1 3.96Å; Y235-Y320 HydrophobicContact CD1-CE1 3.96Å; Y235-Y320 AromaticContact CD2-CD1 3.66Å; Y235-Y320 HydrophobicContact CD2-CD1 3.66Å; Y235-Y320 HydrophobicContact CD2-CE1 4.41Å; Y235-Y320 HydrophobicContact CD2-CG 4.39Å; Y235-Y320 AromaticContact CE1-CD1 3.93Å; Y235-Y320 HydrophobicContact CE1-CD1 3.93Å; Y235-Y320 AromaticContact CE2-CD1 3.93Å; Y235-Y320 HydrophobicContact CE2-CD1 3.93Å; Y235-Y320 HydrophobicContact CE2-CG 4.47Å; Y235-Y320 AromaticContact CG-CD1 3.5Å; Y235-Y320 HydrophobicContact CG-CD1 3.5Å; Y235-Y320 AromaticContact CG-CE1 3.86Å; Y235-Y320 HydrophobicContact CG-CE1 3.86Å; Y235-E321 WeakPolarHBondContact CE2-O 3.13Å; Y235-E321 WeakPolarHBondContact OH-CB 3.45Å; Y235-E321 PolarHBondContact OH-N 3.05Å; Y235-E321 PolarHBondContact OH-O 3.02Å; Y235-V323 HydrophobicContact CE2-CG2 3.88Å |
| 236 | K | 97.8 | Very high | 97.4 | Very high | 185 Ų | 185 | 68.9 Ų | 68.9 | 80% | 0.804 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 43.2 | -178.1 | -54.9 | 179 | -177.5 | 178.4 | 0 | 112.5 | K232 E233 H234 | K232-K236 WeakPolarHBondContact O-CA 3.33Å; K232-K236 PolarHBondContact O-N 2.94Å; E233-K236 PolarHBondContact O-N 2.84Å; H234-K236 VanDerWaalsContact C-N 3.33Å |
| 237 | I | 97.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 65.7 Ų | 65.7 | 9% | 0.092 | 35% | 0.346 | C | S | . | . | trans | -76.8 | 127.2 | 177.4 | -65.1 | 161.7 | 0 | 0 | 0 | 108.3 | K232 Y235 F240 T252 I303 Y320 | K232-I237 WeakPolarHBondContact CE-O 3.41Å; K232-I237 HydrophobicContact CG-CB 3.98Å; K232-I237 HydrophobicContact CG-CG2 4.42Å; K232-I237 WeakPolarHBondContact CG-O 3.2Å; K232-I237 PolarHBondContact O-N 2.88Å; Y235-I237 VanDerWaalsContact C-N 3.27Å; Y235-I237 PolarHBondContact O-N 2.88Å; I237-F240 HydrophobicContact CD1-CE1 4.26Å; I237-F240 HydrophobicContact CG2-CD1 4.37Å; I237-F240 HydrophobicContact CG2-CE1 4.13Å; I237-T252 HydrophobicContact CD1-CG2 4.06Å; I237-T252 HydrophobicContact CG1-CG2 4.48Å; I237-T252 HydrophobicContact CG2-CG2 3.91Å; I237-I303 HydrophobicContact CD1-CD1 3.74Å; I237-I303 HydrophobicContact CD1-CG2 3.9Å; I237-Y320 HydrophobicContact CD1-CE1 4.23Å | ||
| 238 | E | 95.4 | Very high | 97.1 | Very high | 190 Ų | 190 | 73.4 Ų | 73.4 | 89% | 0.888 | 38% | 0.382 | S | S | * | . | trans | -66.7 | -51.5 | -176.5 | -64.7 | -174.5 | 170.2 | 0 | 0 | 112 | K232 | K232-E238 WeakPolarHBondContact CE-O 3.16Å; K232-E238 PolarHBondContact NZ-O 3.07Å; K232-E238 VanDerWaalsContact NZ-O 3.17Å | ||
| 239 | A | 96 | Very high | 97 | Very high | 60 Ų | 60 | 80.9 Ų | 80.9 | 50% | 0.496 | 42% | 0.417 | S | S | . | . | trans | -154.4 | 150.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 240 | F | 98 | Very high | 96.9 | Very high | 16 Ų | 16 | 82 Ų | 82 | 7% | 0.07 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 139.4 | 167.1 | -62.8 | -56.4 | 0 | 0 | 0 | 110 | K232 I237 T252 L254 H278 I303 | K232-F240 HydrophobicContact CB-CE2 3.9Å; K232-F240 HydrophobicContact CB-CZ 3.74Å; K232-F240 HydrophobicContact CD-CD2 4.41Å; K232-F240 HydrophobicContact CD-CE2 3.94Å; K232-F240 HydrophobicContact CD-CZ 4.42Å; K232-F240 HydrophobicContact CG-CE2 4.14Å; K232-F240 HydrophobicContact CG-CZ 4.12Å; I237-F240 HydrophobicContact CD1-CE1 4.26Å; I237-F240 HydrophobicContact CG2-CD1 4.37Å; I237-F240 HydrophobicContact CG2-CE1 4.13Å; F240-T252 WeakPolarHBondContact CA-O 3.43Å; F240-T252 HydrophobicContact CD1-CG2 4.16Å; F240-T252 HydrophobicContact CE1-CG2 4.2Å; F240-L254 HydrophobicContact CB-CB 4.5Å; F240-L254 HydrophobicContact CD1-CB 3.88Å; F240-L254 HydrophobicContact CD2-CB 3.99Å; F240-L254 HydrophobicContact CD2-CD2 4Å; F240-L254 HydrophobicContact CE1-CB 4.03Å; F240-L254 HydrophobicContact CE2-CB 4.13Å; F240-L254 HydrophobicContact CE2-CD2 3.84Å; F240-L254 HydrophobicContact CE2-CG 4.47Å; F240-L254 HydrophobicContact CG-CB 3.87Å; F240-L254 HydrophobicContact CZ-CB 4.14Å; F240-L254 HydrophobicContact CZ-CD2 4.41Å; F240-H278 AromaticContact CD2-NE2 3.96Å; F240-I303 HydrophobicContact CE1-CD1 3.71Å; F240-I303 HydrophobicContact CE1-CG1 3.98Å; F240-I303 HydrophobicContact CE1-CG2 4.04Å; F240-I303 HydrophobicContact CZ-CD1 3.65Å; F240-I303 HydrophobicContact CZ-CG1 4.18Å |
| 241 | T | 97.8 | Very high | 96.9 | Very high | 39 Ų | 39 | 78.3 Ų | 78.3 | 24% | 0.239 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 139.9 | 174.1 | -54.7 | 0 | 0 | 0 | 0 | 109.6 | A245 V251 T252 L253 | T241-A245 HydrophobicContact CG2-CB 4.09Å; T241-V251 HydrophobicContact CG2-CB 4.23Å; T241-V251 HydrophobicContact CG2-CG1 3.92Å; T241-T252 PolarHBondContact N-O 2.84Å; T241-L253 HydrophobicContact CG2-CD2 4.44Å; T241-L253 WeakPolarHBondContact O-CD2 3.06Å |
| 242 | P | 97.8 | Very high | 96.9 | Very high | 57 Ų | 57 | 79.1 Ų | 79.1 | 37% | 0.37 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 138 | 173 | -24.8 | 34.4 | 0 | 0 | 0 | 111.8 | L244 A245 H278 | P242-L244 PolarHBondContact O-N 3.37Å; P242-L244 VanDerWaalsContact O-N 3.15Å; P242-A245 HydrophobicContact CB-CB 4.09Å; P242-A245 HydrophobicContact CG-CB 4.42Å; P242-A245 WeakPolarHBondContact O-CB 3.48Å; P242-A245 PolarHBondContact O-N 3.1Å; P242-H278 WeakPolarHBondContact CB-O 3.37Å; P242-H278 WeakPolarHBondContact CG-O 3.29Å |
| 243 | L | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -35 | -175.5 | -65.8 | -171 | 0 | 0 | 0 | 114 | L253 L272 G274 S279 A282 I284 N308 | L243-L253 HydrophobicContact CD2-CB 3.72Å; L243-L253 HydrophobicContact CD2-CD1 3.67Å; L243-L253 HydrophobicContact CD2-CD2 4.12Å; L243-L253 HydrophobicContact CD2-CG 4.03Å; L243-L272 HydrophobicContact CD1-CG 4.42Å; L243-L272 WeakPolarHBondContact CD1-O 3.44Å; L243-L272 HydrophobicContact CD2-CD2 3.75Å; L243-L272 HydrophobicContact CD2-CG 4.36Å; L243-G274 VanDerWaalsContact CD1-CA 3.4Å; L243-S279 WeakPolarHBondContact CG-OG 3.24Å; L243-S279 PolarHBondContact N-OG 3.42Å; L243-A282 WeakPolarHBondContact CD1-O 3.41Å; L243-I284 HydrophobicContact CB-CD1 4.12Å; L243-I284 HydrophobicContact CB-CG1 4.34Å; L243-I284 HydrophobicContact CB-CG2 4.28Å; L243-I284 HydrophobicContact CD1-CG1 4.32Å; L243-I284 HydrophobicContact CD2-CD1 4.11Å; L243-I284 HydrophobicContact CD2-CG1 4.47Å; L243-N308 PolarHBondContact O-ND2 2.89Å |
| 244 | L | 96.9 | Very high | 97 | Very high | 104 Ų | 104 | 69.1 Ų | 69.1 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -6.7 | -178.4 | -61.1 | -178.4 | 0 | 0 | 0 | 113.6 | P242 P246 A282 I284 | P242-L244 PolarHBondContact O-N 3.37Å; P242-L244 VanDerWaalsContact O-N 3.15Å; L244-P246 VanDerWaalsContact O-CD 3.23Å; L244-P246 WeakPolarHBondContact O-CD 3.41Å; L244-A282 HydrophobicContact CD1-CB 3.7Å; L244-A282 HydrophobicContact CD2-CB 4.13Å; L244-A282 HydrophobicContact CG-CB 3.65Å; L244-I284 HydrophobicContact CD2-CG2 3.94Å |
| 245 | A | 96.1 | Very high | 97 | Very high | 35 Ų | 35 | 63.9 Ų | 63.9 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | trans | -77.6 | 115.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110 | T241 P242 | T241-A245 HydrophobicContact CG2-CB 4.09Å; P242-A245 HydrophobicContact CB-CB 4.09Å; P242-A245 HydrophobicContact CG-CB 4.42Å; P242-A245 WeakPolarHBondContact O-CB 3.48Å; P242-A245 PolarHBondContact O-N 3.1Å | ||
| 246 | P | 96.6 | Very high | 97.1 | Very high | 86 Ų | 86 | 60.7 Ų | 60.7 | 56% | 0.558 | 33% | 0.329 | S | S | * | . | trans | -72.5 | 137.5 | 178.5 | -14.2 | 30.3 | 0 | 0 | 0 | 111.1 | L244 N308 T309 | L244-P246 VanDerWaalsContact O-CD 3.23Å; L244-P246 WeakPolarHBondContact O-CD 3.41Å; P246-N308 CarbonylContact C-O 3.58Å; P246-N308 WeakPolarHBondContact CA-O 3.33Å; P246-T309 WeakPolarHBondContact CB-O 3.42Å | ||
| 247 | A | 94.9 | Very high | 97.1 | Very high | 25 Ų | 25 | 52 Ų | 52 | 21% | 0.207 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 139.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | V251 N308 T309 | A247-V251 HydrophobicContact CB-CG1 3.37Å; A247-N308 PolarHBondContact N-O 2.73Å; A247-N308 CarbonylContact O-C 3.56Å; A247-N308 VanDerWaalsContact O-C 3.3Å; A247-T309 VanDerWaalsContact O-CA 3.28Å; A247-T309 WeakPolarHBondContact O-CA 3.4Å; A247-T309 PolarHBondContact O-N 3.11Å |
| 248 | Q | 94 | Very high | 97.1 | Very high | 175 Ų | 175 | 51.8 Ų | 51.8 | 82% | 0.818 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -28.4 | 173 | -69.9 | -172.1 | -19.9 | 0 | 0 | 112.3 | ||
| 249 | E | 95.9 | Very high | 97.2 | Very high | 158 Ų | 158 | 44.3 Ų | 44.3 | 74% | 0.738 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 157.6 | 175.6 | -62.3 | -175.7 | 175 | 0 | 0 | 110.7 | V251 | E249-V251 PolarHBondContact O-N 3.36Å |
| 250 | P | 96.8 | Very high | 97.1 | Very high | 84 Ų | 84 | 46.4 Ų | 46.4 | 55% | 0.545 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 130.6 | 172.6 | -23.9 | 34.6 | 0 | 0 | 0 | 111.6 | E305 G306 | P250-E305 HydrophobicContact CB-CG 4.41Å; P250-G306 CarbonylContact C-O 3.51Å; P250-G306 WeakPolarHBondContact CA-O 3.39Å |
| 251 | V | 97.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 48.3 Ų | 48.3 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 149.2 | 178.4 | -69.4 | 0 | 0 | 0 | 0 | 110.4 | T241 A247 E249 L253 E305 G306 N308 L314 | T241-V251 HydrophobicContact CG2-CB 4.23Å; T241-V251 HydrophobicContact CG2-CG1 3.92Å; A247-V251 HydrophobicContact CB-CG1 3.37Å; E249-V251 PolarHBondContact O-N 3.36Å; V251-L253 HydrophobicContact CB-CD2 4.24Å; V251-L253 HydrophobicContact CG2-CD1 4.26Å; V251-L253 HydrophobicContact CG2-CD2 3.9Å; V251-L253 HydrophobicContact CG2-CG 4.06Å; V251-E305 VanDerWaalsContact O-CA 3.28Å; V251-E305 WeakPolarHBondContact O-CA 3.35Å; V251-G306 WeakPolarHBondContact CG2-O 3.41Å; V251-G306 PolarHBondContact N-O 2.81Å; V251-G306 PolarHBondContact O-N 3.01Å; V251-G306 VanDerWaalsContact O-N 3.08Å; V251-N308 HydrophobicContact CG2-CB 4.39Å; V251-L314 HydrophobicContact CG2-CD1 4.49Å |
| 252 | T | 98.3 | Very high | 96.5 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 121.4 | 173.9 | -55.1 | 0 | 0 | 0 | 0 | 109.2 | I237 F240 T241 I303 Y320 | I237-T252 HydrophobicContact CD1-CG2 4.06Å; I237-T252 HydrophobicContact CG1-CG2 4.48Å; I237-T252 HydrophobicContact CG2-CG2 3.91Å; F240-T252 WeakPolarHBondContact CA-O 3.43Å; F240-T252 HydrophobicContact CD1-CG2 4.16Å; F240-T252 HydrophobicContact CE1-CG2 4.2Å; T241-T252 PolarHBondContact N-O 2.84Å; T252-I303 HydrophobicContact CG2-CG2 3.38Å; T252-Y320 HydrophobicContact CG2-CE2 4.37Å |
| 253 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 138 | -173.5 | -55.3 | -175.6 | 0 | 0 | 0 | 110.1 | T241 L243 V251 L272 I284 I303 M304 L314 | T241-L253 HydrophobicContact CG2-CD2 4.44Å; T241-L253 WeakPolarHBondContact O-CD2 3.06Å; L243-L253 HydrophobicContact CD2-CB 3.72Å; L243-L253 HydrophobicContact CD2-CD1 3.67Å; L243-L253 HydrophobicContact CD2-CD2 4.12Å; L243-L253 HydrophobicContact CD2-CG 4.03Å; V251-L253 HydrophobicContact CB-CD2 4.24Å; V251-L253 HydrophobicContact CG2-CD1 4.26Å; V251-L253 HydrophobicContact CG2-CD2 3.9Å; V251-L253 HydrophobicContact CG2-CG 4.06Å; L253-L272 HydrophobicContact CB-CD2 4.01Å; L253-I284 HydrophobicContact CD1-CD1 3.99Å; L253-I303 WeakPolarHBondContact O-CA 3.31Å; L253-M304 PolarHBondContact N-O 2.89Å; L253-M304 PolarHBondContact O-N 2.73Å; L253-L314 HydrophobicContact CD1-CB 4.38Å; L253-L314 HydrophobicContact CD1-CD1 3.67Å; L253-L314 HydrophobicContact CD1-CD2 3.88Å; L253-L314 HydrophobicContact CD1-CG 4.17Å |
| 254 | L | 98.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 140.5 | 171.3 | 172.7 | 64.5 | 0 | 0 | 0 | 108.9 | I224 F240 D275 V301 I303 | I224-L254 HydrophobicContact CG2-CD1 4.04Å; I224-L254 HydrophobicContact CG2-CD2 4.12Å; I224-L254 HydrophobicContact CG2-CG 3.81Å; F240-L254 HydrophobicContact CB-CB 4.5Å; F240-L254 HydrophobicContact CD1-CB 3.88Å; F240-L254 HydrophobicContact CD2-CB 3.99Å; F240-L254 HydrophobicContact CD2-CD2 4Å; F240-L254 HydrophobicContact CE1-CB 4.03Å; F240-L254 HydrophobicContact CE2-CB 4.13Å; F240-L254 HydrophobicContact CE2-CD2 3.84Å; F240-L254 HydrophobicContact CE2-CG 4.47Å; F240-L254 HydrophobicContact CG-CB 3.87Å; F240-L254 HydrophobicContact CZ-CB 4.14Å; F240-L254 HydrophobicContact CZ-CD2 4.41Å; L254-D275 HydrophobicContact CD2-CB 4.45Å; L254-V301 HydrophobicContact CD1-CG1 4.14Å; L254-I303 HydrophobicContact CD1-CG1 4.13Å |
| 255 | G | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.5 | -175.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114 | E273 V301 V302 | G255-E273 CarbonylContact C-O 3.52Å; G255-E273 WeakPolarHBondContact CA-O 3.38Å; G255-V301 WeakPolarHBondContact O-CA 3.14Å; G255-V302 PolarHBondContact N-O 2.79Å; G255-V302 VanDerWaalsContact N-O 3.16Å; G255-V302 PolarHBondContact O-N 3.32Å |
| 256 | Q | 98.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.019 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.4 | 174.7 | -178.4 | 168.6 | 88.4 | 0 | 0 | 110.4 | I224 E273 G299 Q300 | I224-Q256 HydrophobicContact CD1-CB 3.68Å; I224-Q256 HydrophobicContact CG1-CB 3.96Å; Q256-E273 PolarHBondContact N-O 2.92Å; Q256-E273 PolarHBondContact O-N 3.07Å; Q256-G299 PolarHBondContact NE2-O 2.84Å; Q256-G299 VanDerWaalsContact NE2-O 3.12Å; Q256-Q300 CarbonylContact C-O 3.38Å; Q256-Q300 VanDerWaalsContact CA-O 3.32Å; Q256-Q300 WeakPolarHBondContact CA-O 3.21Å |
| 257 | I | 98.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 132.9 | 174.1 | -62.1 | -60.5 | 0 | 0 | 0 | 110.1 | L265 V270 I271 L272 L296 F297 P298 G299 Q300 V302 M304 | I257-L265 HydrophobicContact CG2-CD2 4.14Å; I257-V270 HydrophobicContact CD1-CG1 4.07Å; I257-V270 HydrophobicContact CG2-CG1 4.22Å; I257-I271 WeakPolarHBondContact CA-O 3.38Å; I257-L272 HydrophobicContact CD1-CD1 4.31Å; I257-L296 HydrophobicContact CD1-CD1 4.44Å; I257-L296 HydrophobicContact CD1-CD2 4.15Å; I257-L296 HydrophobicContact CG1-CD2 4.12Å; I257-F297 WeakPolarHBondContact CB-O 3.26Å; I257-F297 WeakPolarHBondContact CG2-O 3.31Å; I257-P298 CarbonylContact O-C 3.46Å; I257-G299 PolarHBondContact O-N 3.39Å; I257-Q300 HydrophobicContact CB-CB 4.28Å; I257-Q300 HydrophobicContact CG1-CB 4.14Å; I257-Q300 PolarHBondContact N-O 3.19Å; I257-V302 HydrophobicContact CD1-CG1 4.4Å; I257-V302 HydrophobicContact CD1-CG2 3.72Å; I257-V302 HydrophobicContact CG1-CG1 3.95Å; I257-V302 HydrophobicContact CG1-CG2 3.96Å; I257-M304 HydrophobicContact CD1-CE 3.7Å |
| 258 | G | 97.7 | Very high | 95.7 | Very high | 15 Ų | 15 | 64.4 Ų | 64.4 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 175.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L265 I271 | G258-L265 WeakPolarHBondContact O-CD1 3.33Å; G258-I271 PolarHBondContact N-O 2.92Å; G258-I271 WeakPolarHBondContact O-CG1 3.36Å; G258-I271 PolarHBondContact O-N 2.8Å; G258-I271 VanDerWaalsContact O-N 3.11Å |
| 259 | C | 96.8 | Very high | 95.8 | Very high | 32 Ų | 32 | 56.2 Ų | 56.2 | 22% | 0.216 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.8 | 169 | -166.7 | 0 | 0 | 0 | 0 | 108.9 | S261 G263 L265 | C259-S261 WeakPolarHBondContact CB-O 3.42Å; C259-S261 PolarHBondContact O-N 2.93Å; C259-S261 PolarHBondContact SG-O 2.54Å; C259-S261 VanDerWaalsContact SG-O 3.34Å; C259-G263 PolarHBondContact SG-O 3.22Å; C259-L265 HydrophobicContact CB-CD1 3.93Å |
| 260 | D | 94.3 | Very high | 95.9 | Very high | 104 Ų | 104 | 48.8 Ų | 48.8 | 56% | 0.556 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -72.5 | -1.2 | 174.6 | 66.8 | 4.7 | 0 | 0 | 0 | 114.2 | S269 I271 | D260-S269 PolarHBondContact N-O 3Å; D260-S269 VanDerWaalsContact N-O 3.09Å; D260-S269 WeakPolarHBondContact OD1-CB 3.2Å; D260-I271 HydrophobicContact CB-CG2 3.91Å |
| 261 | S | 93.3 | Very high | 96 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 40% | 0.399 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -142.8 | 168.1 | -178.8 | 67.7 | 0 | 0 | 0 | 0 | 111.4 | C259 G263 | C259-S261 WeakPolarHBondContact CB-O 3.42Å; C259-S261 PolarHBondContact O-N 2.93Å; C259-S261 PolarHBondContact SG-O 2.54Å; C259-S261 VanDerWaalsContact SG-O 3.34Å; S261-G263 PolarHBondContact O-N 3.13Å; S261-G263 PolarHBondContact OG-N 3.47Å |
| 262 | N | 89.8 | Confident | 96 | Very high | 185 Ų | 185 | 45.1 Ų | 45.1 | 99% | 0.989 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -78.5 | 2.5 | 173.9 | -61.7 | -26.6 | 0 | 0 | 0 | 113.1 | ||
| 263 | G | 89.7 | Confident | 96.1 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -88.7 | 178.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | C259 S261 L265 | C259-G263 PolarHBondContact SG-O 3.22Å; S261-G263 PolarHBondContact O-N 3.13Å; S261-G263 PolarHBondContact OG-N 3.47Å; G263-L265 PolarHBondContact O-N 2.94Å |
| 264 | K | 91.7 | Very high | 96 | Very high | 124 Ų | 124 | 46.7 Ų | 46.7 | 54% | 0.539 | 25% | 0.254 | S | S | . | . | trans | -59.7 | 135.1 | 176.1 | 178 | 168.4 | 172.9 | 152.5 | 0 | 111.8 | N266 A482 | K264-N266 PolarHBondContact O-N 3.01Å; K264-A482 WeakPolarHBondContact CE-O 3.26Å; K264-A482 PolarHBondContact NZ-O 3.33Å | ||
| 265 | L | 95.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | trans | -56.5 | 135.1 | 175.5 | -170.8 | 68.5 | 0 | 0 | 0 | 111.1 | I257 G258 C259 G263 V270 P298 I485 | I257-L265 HydrophobicContact CG2-CD2 4.14Å; G258-L265 WeakPolarHBondContact O-CD1 3.33Å; C259-L265 HydrophobicContact CB-CD1 3.93Å; G263-L265 PolarHBondContact O-N 2.94Å; L265-V270 HydrophobicContact CD1-CG2 4.1Å; L265-V270 HydrophobicContact CG-CG2 4.5Å; L265-P298 HydrophobicContact CB-CG 4.11Å; L265-P298 HydrophobicContact CD2-CG 4.06Å; L265-I485 HydrophobicContact CB-CG2 4.32Å; L265-I485 HydrophobicContact CD2-CD1 4.12Å; L265-I485 HydrophobicContact CD2-CG1 4.03Å; L265-I485 HydrophobicContact CD2-CG2 4.46Å; L265-I485 HydrophobicContact CG-CD1 4.19Å; L265-I485 HydrophobicContact CG-CG1 4.43Å; L265-I485 HydrophobicContact CG-CG2 4.23Å; L265-I485 WeakPolarHBondContact O-CG2 3.15Å | ||
| 266 | N | 95.3 | Very high | 95.8 | Very high | 67 Ų | 67 | 50.4 Ų | 50.4 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | trans | -136.9 | 172.4 | 173.2 | 66.7 | 72.1 | 0 | 0 | 0 | 110.2 | K264 K268 S269 V270 | K264-N266 PolarHBondContact O-N 3.01Å; N266-K268 PolarHBondContact O-N 3.49Å; N266-K268 VanDerWaalsContact O-N 3.11Å; N266-K268 WeakPolarHBondContact OD1-CA 3.38Å; N266-K268 WeakPolarHBondContact OD1-CB 3.47Å; N266-K268 PolarHBondContact OD1-N 3.37Å; N266-S269 VanDerWaalsContact CG-OG 3.3Å; N266-S269 PolarHBondContact N-OG 2.82Å; N266-S269 PolarHBondContact ND2-OG 3.29Å; N266-S269 PolarHBondContact O-N 3.19Å; N266-S269 PolarHBondContact O-OG 3.41Å; N266-S269 PolarHBondContact OD1-N 2.94Å; N266-S269 VanDerWaalsContact OD1-N 3.14Å; N266-S269 PolarHBondContact OD1-OG 2.86Å; N266-V270 VanDerWaalsContact O-CG2 3.24Å; N266-V270 WeakPolarHBondContact O-CG2 3.49Å | ||
| 267 | N | 94.9 | Very high | 95.6 | Very high | 87 Ų | 87 | 57 Ų | 57 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -11.9 | -174.8 | 65.4 | -21.9 | 0 | 0 | 0 | 115.3 | L288 Y294 | N267-L288 HydrophobicContact CB-CD1 4.38Å; N267-Y294 WeakPolarHBondContact CB-OH 3.45Å |
| 268 | K | 95.6 | Very high | 95.4 | Very high | 176 Ų | 176 | 59.4 Ų | 59.4 | 77% | 0.765 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -18.7 | 178.3 | -64.1 | -179.3 | -179.5 | 179.3 | 0 | 113.4 | N266 | N266-K268 PolarHBondContact O-N 3.49Å; N266-K268 VanDerWaalsContact O-N 3.11Å; N266-K268 WeakPolarHBondContact OD1-CA 3.38Å; N266-K268 WeakPolarHBondContact OD1-CB 3.47Å; N266-K268 PolarHBondContact OD1-N 3.37Å |
| 269 | S | 96.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.028 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -96.6 | 7.7 | -177 | 64 | 0 | 0 | 0 | 0 | 113.8 | D260 N266 I271 | D260-S269 PolarHBondContact N-O 3Å; D260-S269 VanDerWaalsContact N-O 3.09Å; D260-S269 WeakPolarHBondContact OD1-CB 3.2Å; N266-S269 VanDerWaalsContact CG-OG 3.3Å; N266-S269 PolarHBondContact N-OG 2.82Å; N266-S269 PolarHBondContact ND2-OG 3.29Å; N266-S269 PolarHBondContact O-N 3.19Å; N266-S269 PolarHBondContact O-OG 3.41Å; N266-S269 PolarHBondContact OD1-N 2.94Å; N266-S269 VanDerWaalsContact OD1-N 3.14Å; N266-S269 PolarHBondContact OD1-OG 2.86Å; S269-I271 PolarHBondContact O-N 2.86Å |
| 270 | V | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 124 | -178.4 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | I257 L265 N266 V286 L288 L296 I485 | I257-V270 HydrophobicContact CD1-CG1 4.07Å; I257-V270 HydrophobicContact CG2-CG1 4.22Å; L265-V270 HydrophobicContact CD1-CG2 4.1Å; L265-V270 HydrophobicContact CG-CG2 4.5Å; N266-V270 VanDerWaalsContact O-CG2 3.24Å; N266-V270 WeakPolarHBondContact O-CG2 3.49Å; V270-V286 HydrophobicContact CB-CB 4.43Å; V270-V286 HydrophobicContact CG1-CB 4.05Å; V270-V286 HydrophobicContact CG1-CG2 4.34Å; V270-V286 PolarHBondContact O-N 2.95Å; V270-L288 HydrophobicContact CB-CD1 4.49Å; V270-L288 HydrophobicContact CG2-CD1 3.81Å; V270-L296 HydrophobicContact CG1-CD1 4.29Å; V270-I485 HydrophobicContact CG2-CD1 3.65Å |
| 271 | I | 98.4 | Very high | 95.4 | Very high | 19 Ų | 19 | 59 Ų | 59 | 10% | 0.097 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 153.6 | 168.3 | 61.9 | 164.3 | 0 | 0 | 0 | 110.1 | I257 G258 D260 S269 I284 | I257-I271 WeakPolarHBondContact CA-O 3.38Å; G258-I271 PolarHBondContact N-O 2.92Å; G258-I271 WeakPolarHBondContact O-CG1 3.36Å; G258-I271 PolarHBondContact O-N 2.8Å; G258-I271 VanDerWaalsContact O-N 3.11Å; D260-I271 HydrophobicContact CB-CG2 3.91Å; S269-I271 PolarHBondContact O-N 2.86Å; I271-I284 WeakPolarHBondContact CA-O 3.34Å |
| 272 | L | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 115.7 | 169.3 | -173.2 | 67.3 | 0 | 0 | 0 | 108 | L243 L253 I257 Q283 I284 V286 V302 | L243-L272 HydrophobicContact CD1-CG 4.42Å; L243-L272 WeakPolarHBondContact CD1-O 3.44Å; L243-L272 HydrophobicContact CD2-CD2 3.75Å; L243-L272 HydrophobicContact CD2-CG 4.36Å; L253-L272 HydrophobicContact CB-CD2 4.01Å; I257-L272 HydrophobicContact CD1-CD1 4.31Å; L272-Q283 WeakPolarHBondContact O-CA 3.26Å; L272-I284 HydrophobicContact CB-CG1 4.47Å; L272-I284 PolarHBondContact N-O 2.97Å; L272-I284 PolarHBondContact O-N 2.78Å; L272-V286 HydrophobicContact CB-CG2 3.63Å; L272-V302 HydrophobicContact CD1-CG2 3.6Å |
| 273 | E | 98.5 | Very high | 96 | Very high | 53 Ų | 53 | 53.4 Ų | 53.4 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 120.6 | 170.5 | 179.9 | 171.1 | -120.1 | 0 | 0 | 109.3 | G255 Q256 Q283 | G255-E273 CarbonylContact C-O 3.52Å; G255-E273 WeakPolarHBondContact CA-O 3.38Å; Q256-E273 PolarHBondContact N-O 2.92Å; Q256-E273 PolarHBondContact O-N 3.07Å; E273-Q283 HydrophobicContact CB-CG 3.96Å; E273-Q283 HydrophobicContact CG-CG 3.95Å; E273-Q283 PolarHBondContact OE1-NE2 3.15Å |
| 274 | G | 97.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 159.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L243 G281 A282 | L243-G274 VanDerWaalsContact CD1-CA 3.4Å; G274-G281 WeakPolarHBondContact O-CA 3.47Å; G274-A282 PolarHBondContact N-O 3.01Å |
| 275 | D | 96.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.011 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 171.8 | 169.3 | 67.9 | -64.1 | 0 | 0 | 0 | 112.1 | I224 E225 L254 E277 H278 S279 S280 G281 | I224-D275 HydrophobicContact CB-CB 4.28Å; I224-D275 HydrophobicContact CG2-CB 3.77Å; E225-D275 HydrophobicContact CG-CB 3.81Å; L254-D275 HydrophobicContact CD2-CB 4.45Å; D275-E277 WeakPolarHBondContact OD2-CB 3.37Å; D275-E277 PolarHBondContact OD2-N 2.98Å; D275-E277 VanDerWaalsContact OD2-N 3.15Å; D275-H278 WeakPolarHBondContact OD1-CB 3.36Å; D275-H278 IonicContact OD1-CG 3.46Å; D275-H278 IonicContact OD1-ND1 2.67Å; D275-H278 IonicContact OD2-CE1 3.78Å; D275-H278 IonicContact OD2-CG 3.46Å; D275-H278 PolarHBondContact OD2-N 2.89Å; D275-H278 IonicContact OD2-ND1 2.69Å; D275-H278 PolarHBondContact OD2-ND1 3.34Å; D275-S279 CarbonylContact O-C 3.59Å; D275-S279 PolarHBondContact O-N 2.63Å; D275-S280 PolarHBondContact O-N 3.2Å; D275-S280 VanDerWaalsContact O-N 3.13Å; D275-G281 PolarHBondContact O-N 3.09Å |
| 276 | R | 95.3 | Very high | 96.8 | Very high | 79 Ų | 79 | 48.9 Ų | 48.9 | 30% | 0.298 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -78.2 | -44.5 | -179.5 | -177.3 | -179.1 | 61.6 | -153 | 0.8 | 111.3 | E218 T221 E225 H278 S280 | E218-R276 VanDerWaalsContact CD-NH1 3.35Å; E218-R276 IonicContact OE1-CZ 3.59Å; E218-R276 IonicContact OE1-NH1 3.58Å; E218-R276 PolarHBondContact OE1-NH1 2.77Å; E218-R276 IonicContact OE1-NH2 3.98Å; E218-R276 PolarHBondContact OE1-NH2 3.4Å; E218-R276 IonicContact OE2-CZ 2.72Å; E218-R276 IonicContact OE2-NH1 2.82Å; E218-R276 PolarHBondContact OE2-NH1 2.89Å; E218-R276 IonicContact OE2-NH2 3.53Å; T221-R276 HydrophobicContact CG2-CB 3.49Å; T221-R276 VanDerWaalsContact CG2-CB 3.49Å; E225-R276 PolarHBondContact OE1-N 2.81Å; R276-H278 PolarHBondContact O-N 3.41Å; R276-S280 VanDerWaalsContact O-CA 3.32Å; R276-S280 WeakPolarHBondContact O-CA 3.44Å; R276-S280 PolarHBondContact O-N 2.75Å |
| 277 | E | 94.7 | Very high | 97 | Very high | 142 Ų | 142 | 47.5 Ų | 47.5 | 66% | 0.664 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -57.1 | -47.6 | -175.8 | -178 | 178.5 | -164.9 | 0 | 0 | 112.7 | E225 D275 | E225-E277 WeakPolarHBondContact OE1-CB 3.4Å; E225-E277 PolarHBondContact OE1-N 3.02Å; D275-E277 WeakPolarHBondContact OD2-CB 3.37Å; D275-E277 PolarHBondContact OD2-N 2.98Å; D275-E277 VanDerWaalsContact OD2-N 3.15Å |
| 278 | H | 94.9 | Very high | 97.1 | Very high | 53 Ų | 53 | 43.8 Ų | 43.8 | 25% | 0.245 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -96.2 | -35.3 | -174 | -54.1 | 78.5 | 0 | 0 | 0 | 112.7 | F240 P242 D275 R276 | F240-H278 AromaticContact CD2-NE2 3.96Å; P242-H278 WeakPolarHBondContact CB-O 3.37Å; P242-H278 WeakPolarHBondContact CG-O 3.29Å; D275-H278 WeakPolarHBondContact OD1-CB 3.36Å; D275-H278 IonicContact OD1-CG 3.46Å; D275-H278 IonicContact OD1-ND1 2.67Å; D275-H278 IonicContact OD2-CE1 3.78Å; D275-H278 IonicContact OD2-CG 3.46Å; D275-H278 PolarHBondContact OD2-N 2.89Å; D275-H278 IonicContact OD2-ND1 2.69Å; D275-H278 PolarHBondContact OD2-ND1 3.34Å; R276-H278 PolarHBondContact O-N 3.41Å |
| 279 | S | 96.3 | Very high | 97.1 | Very high | 10 Ų | 10 | 40 Ų | 40 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -124.6 | 3.7 | -167.9 | -61.2 | 0 | 0 | 0 | 0 | 114.6 | L243 D275 G281 A282 | L243-S279 WeakPolarHBondContact CG-OG 3.24Å; L243-S279 PolarHBondContact N-OG 3.42Å; D275-S279 CarbonylContact O-C 3.59Å; D275-S279 PolarHBondContact O-N 2.63Å; S279-G281 PolarHBondContact O-N 3.15Å; S279-G281 VanDerWaalsContact O-N 3.11Å; S279-A282 VanDerWaalsContact O-CB 3.25Å; S279-A282 WeakPolarHBondContact O-CB 3.18Å; S279-A282 PolarHBondContact O-N 2.73Å |
| 280 | S | 96.4 | Very high | 97 | Very high | 100 Ų | 100 | 46 Ų | 46 | 70% | 0.699 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 27.2 | -179.6 | -60.7 | 0 | 0 | 0 | 0 | 114.3 | D275 R276 A282 | D275-S280 PolarHBondContact O-N 3.2Å; D275-S280 VanDerWaalsContact O-N 3.13Å; R276-S280 VanDerWaalsContact O-CA 3.32Å; R276-S280 WeakPolarHBondContact O-CA 3.44Å; R276-S280 PolarHBondContact O-N 2.75Å; S280-A282 VanDerWaalsContact C-N 3.33Å |
| 281 | G | 94.8 | Very high | 96.8 | Very high | 32 Ų | 32 | 46.6 Ų | 46.6 | 33% | 0.33 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 20.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G274 D275 S279 | G274-G281 WeakPolarHBondContact O-CA 3.47Å; D275-G281 PolarHBondContact O-N 3.09Å; S279-G281 PolarHBondContact O-N 3.15Å; S279-G281 VanDerWaalsContact O-N 3.11Å |
| 282 | A | 97.6 | Very high | 96.4 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 15% | 0.149 | 29% | 0.292 | C | S | . | . | trans | -66.2 | 158 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L243 L244 G274 S279 S280 | L243-A282 WeakPolarHBondContact CD1-O 3.41Å; L244-A282 HydrophobicContact CD1-CB 3.7Å; L244-A282 HydrophobicContact CD2-CB 4.13Å; L244-A282 HydrophobicContact CG-CB 3.65Å; G274-A282 PolarHBondContact N-O 3.01Å; S279-A282 VanDerWaalsContact O-CB 3.25Å; S279-A282 WeakPolarHBondContact O-CB 3.18Å; S279-A282 PolarHBondContact O-N 2.73Å; S280-A282 VanDerWaalsContact C-N 3.33Å | ||
| 283 | Q | 97.8 | Very high | 96.1 | Very high | 108 Ų | 108 | 59.8 Ų | 59.8 | 51% | 0.505 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138.2 | 179.6 | -62.6 | 174.3 | 1.3 | 0 | 0 | 110 | L272 E273 | L272-Q283 WeakPolarHBondContact O-CA 3.26Å; E273-Q283 HydrophobicContact CB-CG 3.96Å; E273-Q283 HydrophobicContact CG-CG 3.95Å; E273-Q283 PolarHBondContact OE1-NE2 3.15Å |
| 284 | I | 98.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 142 | 171.8 | 62.9 | 175.5 | 0 | 0 | 0 | 110.6 | L243 L244 L253 I271 L272 L314 | L243-I284 HydrophobicContact CB-CD1 4.12Å; L243-I284 HydrophobicContact CB-CG1 4.34Å; L243-I284 HydrophobicContact CB-CG2 4.28Å; L243-I284 HydrophobicContact CD1-CG1 4.32Å; L243-I284 HydrophobicContact CD2-CD1 4.11Å; L243-I284 HydrophobicContact CD2-CG1 4.47Å; L244-I284 HydrophobicContact CD2-CG2 3.94Å; L253-I284 HydrophobicContact CD1-CD1 3.99Å; I271-I284 WeakPolarHBondContact CA-O 3.34Å; L272-I284 HydrophobicContact CB-CG1 4.47Å; L272-I284 PolarHBondContact N-O 2.97Å; L272-I284 PolarHBondContact O-N 2.78Å; I284-L314 HydrophobicContact CD1-CB 3.92Å |
| 285 | P | 98.4 | Very high | 95.9 | Very high | 65 Ų | 65 | 59.3 Ų | 59.3 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 147.5 | 167.6 | -25 | 34.4 | 0 | 0 | 0 | 112.7 | R312 K313 L314 | P285-R312 WeakPolarHBondContact CD-O 3.24Å; P285-K313 HydrophobicContact CB-CG 4.39Å; P285-K313 WeakPolarHBondContact O-CA 3.3Å; P285-L314 PolarHBondContact O-N 3.27Å |
| 286 | V | 98.5 | Very high | 96 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.03 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 122.2 | 176.7 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | V270 L272 L288 M304 L314 A316 | V270-V286 HydrophobicContact CB-CB 4.43Å; V270-V286 HydrophobicContact CG1-CB 4.05Å; V270-V286 HydrophobicContact CG1-CG2 4.34Å; V270-V286 PolarHBondContact O-N 2.95Å; L272-V286 HydrophobicContact CB-CG2 3.63Å; V286-L288 HydrophobicContact CG1-CD2 3.68Å; V286-M304 HydrophobicContact CG1-CE 4.4Å; V286-M304 HydrophobicContact CG1-SD 3.82Å; V286-M304 HydrophobicContact CG2-SD 4.25Å; V286-L314 HydrophobicContact CG1-CD2 4.45Å; V286-A316 HydrophobicContact CG1-CB 3.84Å |
| 287 | D | 97.9 | Very high | 96.1 | Very high | 39 Ų | 39 | 55.5 Ų | 55.5 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 112.4 | 171.8 | -165.4 | -25.7 | 0 | 0 | 0 | 109.3 | S289 K313 L314 V315 A316 | D287-S289 VanDerWaalsContact C-N 3.35Å; D287-S289 VanDerWaalsContact OD1-CB 3.23Å; D287-S289 WeakPolarHBondContact OD1-CB 3.25Å; D287-S289 PolarHBondContact OD1-N 3.39Å; D287-S289 VanDerWaalsContact OD1-N 3.12Å; D287-S289 PolarHBondContact OD1-OG 2.86Å; D287-K313 HydrophobicContact CB-CD 4.11Å; D287-K313 HydrophobicContact CB-CG 4.41Å; D287-K313 IonicContact OD2-NZ 3.83Å; D287-K313 PolarHBondContact OD2-NZ 2.88Å; D287-L314 PolarHBondContact N-O 2.78Å; D287-V315 HydrophobicContact CB-CG2 4.24Å; D287-A316 PolarHBondContact O-N 3.14Å |
| 288 | L | 97.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | trans | -89.8 | 2.6 | -177 | -54.8 | 177.1 | 0 | 0 | 0 | 113.1 | N267 V270 V286 E290 L291 Y294 L296 I485 | N267-L288 HydrophobicContact CB-CD1 4.38Å; V270-L288 HydrophobicContact CB-CD1 4.49Å; V270-L288 HydrophobicContact CG2-CD1 3.81Å; V286-L288 HydrophobicContact CG1-CD2 3.68Å; L288-E290 PolarHBondContact O-N 2.9Å; L288-E290 VanDerWaalsContact O-N 3.14Å; L288-L291 HydrophobicContact CD2-CD1 3.73Å; L288-L291 PolarHBondContact O-N 2.64Å; L288-Y294 HydrophobicContact CB-CE1 4.11Å; L288-Y294 HydrophobicContact CD1-CD2 4.31Å; L288-Y294 HydrophobicContact CD1-CE1 4.12Å; L288-Y294 HydrophobicContact CD1-CE2 3.91Å; L288-L296 HydrophobicContact CD1-CD1 4Å; L288-L296 HydrophobicContact CD2-CD1 3.89Å; L288-I485 HydrophobicContact CD1-CD1 4.2Å | ||
| 289 | S | 95.5 | Very high | 96.4 | Very high | 95 Ų | 95 | 46.7 Ų | 46.7 | 66% | 0.664 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.9 | -170.1 | -56.4 | 0 | 0 | 0 | 0 | 113.8 | D287 | D287-S289 VanDerWaalsContact C-N 3.35Å; D287-S289 VanDerWaalsContact OD1-CB 3.23Å; D287-S289 WeakPolarHBondContact OD1-CB 3.25Å; D287-S289 PolarHBondContact OD1-N 3.39Å; D287-S289 VanDerWaalsContact OD1-N 3.12Å; D287-S289 PolarHBondContact OD1-OG 2.86Å |
| 290 | E | 95.1 | Very high | 96.6 | Very high | 130 Ų | 130 | 46.9 Ų | 46.9 | 61% | 0.607 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -5 | -179.5 | -58.5 | -60.3 | 147.5 | 0 | 0 | 113.2 | L288 V315 | L288-E290 PolarHBondContact O-N 2.9Å; L288-E290 VanDerWaalsContact O-N 3.14Å; E290-V315 HydrophobicContact CB-CG1 4.43Å; E290-V315 HydrophobicContact CG-CG1 3.79Å |
| 291 | L | 94.6 | Very high | 96.7 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | trans | -83.2 | 118.9 | 174.8 | -78.8 | 173.6 | 0 | 0 | 0 | 110.6 | L288 Y294 A316 L319 | L288-L291 HydrophobicContact CD2-CD1 3.73Å; L288-L291 PolarHBondContact O-N 2.64Å; L291-Y294 HydrophobicContact CB-CD1 4.09Å; L291-A316 HydrophobicContact CD1-CB 3.67Å; L291-A316 HydrophobicContact CG-CB 3.98Å; L291-L319 HydrophobicContact CD1-CB 4.5Å; L291-L319 HydrophobicContact CD2-CB 4.32Å | ||
| 292 | K | 89.8 | Confident | 96.9 | Very high | 187 Ų | 187 | 41 Ų | 41 | 81% | 0.813 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -65.7 | -48.2 | 177.1 | -64 | -179.3 | -178.7 | 176.2 | 0 | 112 | S487 | K292-S487 PolarHBondContact O-OG 3.15Š|
| 293 | E | 92 | Very high | 96.9 | Very high | 108 Ų | 108 | 40.2 Ų | 40.2 | 51% | 0.505 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -135.6 | 136.6 | -177 | -59.3 | -166 | 146.8 | 0 | 0 | 109.8 | S487 S489 | E293-S487 WeakPolarHBondContact CA-O 3.5Å; E293-S489 WeakPolarHBondContact OE1-CB 3.35Å; E293-S489 PolarHBondContact OE1-N 3Å; E293-S489 PolarHBondContact OE1-OG 3.39Å |
| 294 | Y | 95.4 | Very high | 96.9 | Very high | 29 Ų | 29 | 35.1 Ų | 35.1 | 11% | 0.114 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 156.7 | 175.9 | 63.2 | -98.5 | 0 | 0 | 0 | 109.9 | N267 L288 L291 L296 I485 S486 S487 | N267-Y294 WeakPolarHBondContact CB-OH 3.45Å; L288-Y294 HydrophobicContact CB-CE1 4.11Å; L288-Y294 HydrophobicContact CD1-CD2 4.31Å; L288-Y294 HydrophobicContact CD1-CE1 4.12Å; L288-Y294 HydrophobicContact CD1-CE2 3.91Å; L291-Y294 HydrophobicContact CB-CD1 4.09Å; Y294-L296 HydrophobicContact CD2-CD1 4.14Å; Y294-L296 HydrophobicContact CD2-CG 4.12Å; Y294-I485 HydrophobicContact CE2-CD1 3.97Å; Y294-I485 HydrophobicContact CE2-CG1 4.08Å; Y294-S486 CarbonylContact O-C 3.55Å; Y294-S486 WeakPolarHBondContact O-CA 3.31Å; Y294-S486 WeakPolarHBondContact O-CB 3.21Å; Y294-S487 PolarHBondContact N-O 3.34Å; Y294-S487 PolarHBondContact O-N 2.91Å |
| 295 | S | 96.8 | Very high | 96.9 | Very high | 18 Ų | 18 | 37.4 Ų | 37.4 | 13% | 0.126 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 114.8 | 168.2 | 174.3 | 0 | 0 | 0 | 0 | 106.2 | Q300 E484 I485 H501 | S295-Q300 PolarHBondContact O-OE1 2.87Å; S295-E484 PolarHBondContact OG-OE1 3.19Å; S295-I485 CarbonylContact C-O 3.18Å; S295-I485 WeakPolarHBondContact CA-O 3.37Å; S295-H501 PolarHBondContact O-CE1 2.6Å; S295-H501 VanDerWaalsContact O-CE1 3.32Å; S295-H501 PolarHBondContact OG-CE1 3.08Å; S295-H501 PolarHBondContact OG-NE2 3.41Å |
| 296 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146.2 | -170.3 | -60.7 | 174.6 | 0 | 0 | 0 | 111 | I257 V270 L288 Y294 V302 M304 L319 E484 I485 | I257-L296 HydrophobicContact CD1-CD1 4.44Å; I257-L296 HydrophobicContact CD1-CD2 4.15Å; I257-L296 HydrophobicContact CG1-CD2 4.12Å; V270-L296 HydrophobicContact CG1-CD1 4.29Å; L288-L296 HydrophobicContact CD1-CD1 4Å; L288-L296 HydrophobicContact CD2-CD1 3.89Å; Y294-L296 HydrophobicContact CD2-CD1 4.14Å; Y294-L296 HydrophobicContact CD2-CG 4.12Å; L296-V302 HydrophobicContact CD2-CG1 4.26Å; L296-M304 HydrophobicContact CD1-CE 4.02Å; L296-M304 HydrophobicContact CD2-CE 3.97Å; L296-L319 HydrophobicContact CD2-CD1 4.29Å; L296-L319 HydrophobicContact CD2-CD2 3.73Å; L296-E484 WeakPolarHBondContact O-CA 3.48Å; L296-I485 HydrophobicContact CB-CD1 4.24Å; L296-I485 HydrophobicContact CB-CG1 3.85Å; L296-I485 PolarHBondContact N-O 3.37Å; L296-I485 PolarHBondContact O-N 3.39Å |
| 297 | F | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -146.9 | 157 | 171.2 | 70.3 | -87.4 | 0 | 0 | 0 | 110.5 | I257 G299 Q300 L480 E484 H501 Q505 P510 L511 | I257-F297 WeakPolarHBondContact CB-O 3.26Å; I257-F297 WeakPolarHBondContact CG2-O 3.31Å; F297-G299 PolarHBondContact O-N 2.88Å; F297-Q300 HydrophobicContact CD1-CB 3.86Å; F297-Q300 HydrophobicContact CD1-CG 4.09Å; F297-Q300 HydrophobicContact CD2-CB 4.3Å; F297-Q300 HydrophobicContact CE1-CB 3.53Å; F297-Q300 HydrophobicContact CE1-CG 3.52Å; F297-Q300 HydrophobicContact CE2-CB 3.99Å; F297-Q300 HydrophobicContact CG-CB 4.23Å; F297-Q300 HydrophobicContact CZ-CB 3.6Å; F297-Q300 HydrophobicContact CZ-CG 3.91Å; F297-Q300 WeakPolarHBondContact O-CB 3.21Å; F297-Q300 PolarHBondContact O-N 2.63Å; F297-L480 HydrophobicContact CB-CD2 4.22Å; F297-L480 HydrophobicContact CD1-CD2 4.16Å; F297-L480 HydrophobicContact CD2-CD2 3.16Å; F297-L480 HydrophobicContact CE1-CD2 4.37Å; F297-L480 HydrophobicContact CE2-CD2 3.45Å; F297-L480 VanDerWaalsContact CE2-CD2 3.45Å; F297-L480 HydrophobicContact CG-CD2 3.57Å; F297-L480 HydrophobicContact CZ-CD2 4.05Å; F297-E484 HydrophobicContact CB-CB 4.49Å; F297-H501 HydrophobicContact CD1-CB 4.21Å; F297-H501 AromaticContact CD1-CD2 3.65Å; F297-H501 AromaticContact CD1-CG 3.81Å; F297-H501 HydrophobicContact CE1-CB 3.59Å; F297-H501 AromaticContact CE1-CD2 3.89Å; F297-H501 AromaticContact CE1-CG 3.55Å; F297-H501 AromaticContact CE1-ND1 3.94Å; F297-H501 HydrophobicContact CZ-CB 4.38Å; F297-Q505 HydrophobicContact CE1-CG 4.37Å; F297-Q505 HydrophobicContact CZ-CG 4Å; F297-P510 HydrophobicContact CE2-CB 4.17Å; F297-P510 HydrophobicContact CE2-CG 4.26Å; F297-P510 HydrophobicContact CZ-CB 4.01Å; F297-P510 HydrophobicContact CZ-CG 4.05Å; F297-L511 HydrophobicContact CD2-CD1 4.18Å | ||
| 298 | P | 98.5 | Very high | 96.8 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 7% | 0.065 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 134.6 | 178.1 | -23.7 | 35.3 | 0 | 0 | 0 | 112.9 | I257 L265 Q300 E483 L511 Y512 | I257-P298 CarbonylContact O-C 3.46Å; L265-P298 HydrophobicContact CB-CG 4.11Å; L265-P298 HydrophobicContact CD2-CG 4.06Å; P298-Q300 VanDerWaalsContact C-N 3.32Å; P298-E483 HydrophobicContact CG-CB 4.2Å; P298-L511 HydrophobicContact CB-CD1 4.16Å; P298-L511 HydrophobicContact CG-CD1 4.39Å; P298-L511 WeakPolarHBondContact O-CD1 3.29Å; P298-Y512 CarbonylContact C-O 3.49Å; P298-Y512 VanDerWaalsContact CB-O 3.26Å; P298-Y512 WeakPolarHBondContact CB-O 3.42Å; P298-Y512 PolarHBondContact O-N 2.96Å |
| 299 | G | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -5.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K223 Q256 I257 F297 V301 Y512 | K223-G299 WeakPolarHBondContact CE-O 3.3Å; K223-G299 PolarHBondContact NZ-O 3.42Å; Q256-G299 PolarHBondContact NE2-O 2.84Å; Q256-G299 VanDerWaalsContact NE2-O 3.12Å; I257-G299 PolarHBondContact O-N 3.39Å; F297-G299 PolarHBondContact O-N 2.88Å; G299-V301 PolarHBondContact O-N 3.4Å; G299-Y512 WeakPolarHBondContact CA-O 3.22Å; G299-Y512 PolarHBondContact N-O 2.83Å |
| 300 | Q | 98.7 | Very high | 96.6 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | trans | -68.8 | 123 | 177.7 | -170.5 | -176.6 | -0.8 | 0 | 0 | 111.1 | Q256 I257 S295 F297 P298 V302 | Q256-Q300 CarbonylContact C-O 3.38Å; Q256-Q300 VanDerWaalsContact CA-O 3.32Å; Q256-Q300 WeakPolarHBondContact CA-O 3.21Å; I257-Q300 HydrophobicContact CB-CB 4.28Å; I257-Q300 HydrophobicContact CG1-CB 4.14Å; I257-Q300 PolarHBondContact N-O 3.19Å; S295-Q300 PolarHBondContact O-OE1 2.87Å; F297-Q300 HydrophobicContact CD1-CB 3.86Å; F297-Q300 HydrophobicContact CD1-CG 4.09Å; F297-Q300 HydrophobicContact CD2-CB 4.3Å; F297-Q300 HydrophobicContact CE1-CB 3.53Å; F297-Q300 HydrophobicContact CE1-CG 3.52Å; F297-Q300 HydrophobicContact CE2-CB 3.99Å; F297-Q300 HydrophobicContact CG-CB 4.23Å; F297-Q300 HydrophobicContact CZ-CB 3.6Å; F297-Q300 HydrophobicContact CZ-CG 3.91Å; F297-Q300 WeakPolarHBondContact O-CB 3.21Å; F297-Q300 PolarHBondContact O-N 2.63Å; P298-Q300 VanDerWaalsContact C-N 3.32Å; Q300-V302 HydrophobicContact CB-CG1 4.32Å; Q300-V302 HydrophobicContact CG-CG1 3.69Å | ||
| 301 | V | 98.8 | Very high | 96.6 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.024 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 126.2 | 168.9 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | K223 I224 L227 L254 G255 G299 Q505 | K223-V301 HydrophobicContact CD-CG2 4.45Å; K223-V301 HydrophobicContact CG-CG2 4.01Å; I224-V301 HydrophobicContact CG1-CG2 4.25Å; I224-V301 HydrophobicContact CG2-CG1 4.32Å; L227-V301 HydrophobicContact CB-CG1 4.24Å; L227-V301 HydrophobicContact CD2-CB 3.75Å; L227-V301 HydrophobicContact CD2-CG1 4.1Å; L227-V301 HydrophobicContact CD2-CG2 4.23Å; L227-V301 HydrophobicContact CG-CB 4.4Å; L227-V301 HydrophobicContact CG-CG1 4.19Å; L254-V301 HydrophobicContact CD1-CG1 4.14Å; G255-V301 WeakPolarHBondContact O-CA 3.14Å; G299-V301 PolarHBondContact O-N 3.4Å; V301-Q505 PolarHBondContact O-NE2 2.85Å |
| 302 | V | 98.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 154.9 | -175.5 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | G255 I257 L272 L296 Q300 M304 L319 | G255-V302 PolarHBondContact N-O 2.79Å; G255-V302 VanDerWaalsContact N-O 3.16Å; G255-V302 PolarHBondContact O-N 3.32Å; I257-V302 HydrophobicContact CD1-CG1 4.4Å; I257-V302 HydrophobicContact CD1-CG2 3.72Å; I257-V302 HydrophobicContact CG1-CG1 3.95Å; I257-V302 HydrophobicContact CG1-CG2 3.96Å; L272-V302 HydrophobicContact CD1-CG2 3.6Å; L296-V302 HydrophobicContact CD2-CG1 4.26Å; Q300-V302 HydrophobicContact CB-CG1 4.32Å; Q300-V302 HydrophobicContact CG-CG1 3.69Å; V302-M304 HydrophobicContact CG2-CE 4.13Å; V302-M304 HydrophobicContact CG2-CG 4.13Å; V302-M304 HydrophobicContact CG2-SD 4.37Å; V302-L319 HydrophobicContact CB-CD1 3.91Å; V302-L319 HydrophobicContact CG1-CD1 4Å |
| 303 | I | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.2 | 160.7 | -60.8 | 174.5 | 0 | 0 | 0 | 107.3 | L231 I237 F240 T252 L253 L254 Y320 | L231-I303 HydrophobicContact CB-CD1 3.44Å; L231-I303 VanDerWaalsContact CB-CD1 3.44Å; L231-I303 HydrophobicContact CB-CG1 4.43Å; L231-I303 HydrophobicContact CD1-CD1 4.2Å; L231-I303 HydrophobicContact CD1-CG1 4.34Å; L231-I303 HydrophobicContact CG-CD1 4.47Å; I237-I303 HydrophobicContact CD1-CD1 3.74Å; I237-I303 HydrophobicContact CD1-CG2 3.9Å; F240-I303 HydrophobicContact CE1-CD1 3.71Å; F240-I303 HydrophobicContact CE1-CG1 3.98Å; F240-I303 HydrophobicContact CE1-CG2 4.04Å; F240-I303 HydrophobicContact CZ-CD1 3.65Å; F240-I303 HydrophobicContact CZ-CG1 4.18Å; T252-I303 HydrophobicContact CG2-CG2 3.38Å; L253-I303 WeakPolarHBondContact O-CA 3.31Å; L254-I303 HydrophobicContact CD1-CG1 4.13Å; I303-Y320 HydrophobicContact CB-CD2 3.93Å; I303-Y320 HydrophobicContact CB-CG 4.18Å; I303-Y320 HydrophobicContact CG2-CD2 3.51Å; I303-Y320 HydrophobicContact CG2-CE2 3.91Å; I303-Y320 HydrophobicContact CG2-CG 4.13Å; I303-Y320 WeakPolarHBondContact O-CD2 3.19Å; I303-Y320 PolarHBondContact O-N 3.45Å |
| 304 | M | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.5 | 178.1 | -70.1 | -177.1 | 167.5 | 0 | 0 | 110.2 | L253 I257 V286 L296 V302 L314 K318 L319 | L253-M304 PolarHBondContact N-O 2.89Å; L253-M304 PolarHBondContact O-N 2.73Å; I257-M304 HydrophobicContact CD1-CE 3.7Å; V286-M304 HydrophobicContact CG1-CE 4.4Å; V286-M304 HydrophobicContact CG1-SD 3.82Å; V286-M304 HydrophobicContact CG2-SD 4.25Å; L296-M304 HydrophobicContact CD1-CE 4.02Å; L296-M304 HydrophobicContact CD2-CE 3.97Å; V302-M304 HydrophobicContact CG2-CE 4.13Å; V302-M304 HydrophobicContact CG2-CG 4.13Å; V302-M304 HydrophobicContact CG2-SD 4.37Å; M304-L314 HydrophobicContact CB-CD2 3.8Å; M304-L314 HydrophobicContact SD-CD2 4.24Å; M304-K318 WeakPolarHBondContact CA-O 3.41Å; M304-L319 HydrophobicContact CE-CD1 3.8Å; M304-L319 HydrophobicContact CG-CD1 3.83Å |
| 305 | E | 98 | Very high | 97.4 | Very high | 51 Ų | 51 | 32.3 Ų | 32.3 | 24% | 0.238 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 133.3 | 171.8 | 178.5 | -171.5 | 131.1 | 0 | 0 | 109.3 | P250 V251 T317 K318 Y320 | P250-E305 HydrophobicContact CB-CG 4.41Å; V251-E305 VanDerWaalsContact O-CA 3.28Å; V251-E305 WeakPolarHBondContact O-CA 3.35Å; E305-T317 PolarHBondContact O-N 2.63Å; E305-T317 PolarHBondContact O-OG1 2.83Å; E305-K318 HydrophobicContact CB-CB 4.19Å; E305-K318 PolarHBondContact N-O 2.92Å; E305-K318 PolarHBondContact O-N 2.8Å; E305-K318 IonicContact OE2-NZ 3.93Å; E305-Y320 HydrophobicContact CB-CE2 4.1Å; E305-Y320 PolarHBondContact OE2-OH 2.86Å |
| 306 | G | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | -173 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | P250 V251 V315 | P250-G306 CarbonylContact C-O 3.51Å; P250-G306 WeakPolarHBondContact CA-O 3.39Å; V251-G306 WeakPolarHBondContact CG2-O 3.41Å; V251-G306 PolarHBondContact N-O 2.81Å; V251-G306 PolarHBondContact O-N 3.01Å; V251-G306 VanDerWaalsContact O-N 3.08Å; G306-V315 CarbonylContact C-O 3.3Å; G306-V315 WeakPolarHBondContact CA-O 3.41Å |
| 307 | I | 97.8 | Very high | 97.4 | Very high | 68 Ų | 68 | 34.5 Ų | 34.5 | 35% | 0.349 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 128.8 | -176.4 | -57 | 173.8 | 0 | 0 | 0 | 109.2 | T309 V315 | I307-T309 HydrophobicContact CG2-CG2 3.57Å; I307-V315 PolarHBondContact N-O 2.73Å; I307-V315 PolarHBondContact O-N 3.37Å |
| 308 | N | 96.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 72.5 | 176.5 | -175.8 | 11.3 | 0 | 0 | 0 | 110.6 | L243 P246 A247 V251 T310 G311 R312 K313 L314 | L243-N308 PolarHBondContact O-ND2 2.89Å; P246-N308 CarbonylContact C-O 3.58Å; P246-N308 WeakPolarHBondContact CA-O 3.33Å; A247-N308 PolarHBondContact N-O 2.73Å; A247-N308 CarbonylContact O-C 3.56Å; A247-N308 VanDerWaalsContact O-C 3.3Å; V251-N308 HydrophobicContact CG2-CB 4.39Å; N308-T310 PolarHBondContact O-N 3.26Å; N308-G311 WeakPolarHBondContact OD1-CA 3.32Å; N308-G311 PolarHBondContact OD1-N 2.79Å; N308-R312 PolarHBondContact OD1-N 3.03Å; N308-K313 PolarHBondContact OD1-N 2.9Å; N308-K313 PolarHBondContact OD1-O 3.36Å; N308-K313 VanDerWaalsContact OD1-O 3.09Å; N308-L314 HydrophobicContact CB-CD1 4.33Å |
| 309 | T | 95.9 | Very high | 97.3 | Very high | 85 Ų | 85 | 40.1 Ų | 40.1 | 52% | 0.521 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -20.1 | -174.5 | 61.4 | 0 | 0 | 0 | 0 | 114.4 | P246 A247 I307 | P246-T309 WeakPolarHBondContact CB-O 3.42Å; A247-T309 VanDerWaalsContact O-CA 3.28Å; A247-T309 WeakPolarHBondContact O-CA 3.4Å; A247-T309 PolarHBondContact O-N 3.11Å; I307-T309 HydrophobicContact CG2-CG2 3.57Å |
| 310 | T | 94.3 | Very high | 97.3 | Very high | 83 Ų | 83 | 41.6 Ų | 41.6 | 51% | 0.509 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -11.2 | -173.3 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | N308 R312 | N308-T310 PolarHBondContact O-N 3.26Å; T310-R312 PolarHBondContact O-N 3.08Å; T310-R312 PolarHBondContact OG1-N 3.24Å |
| 311 | G | 93.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 46 Ų | 46 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 73 | 9.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N308 | N308-G311 WeakPolarHBondContact OD1-CA 3.32Å; N308-G311 PolarHBondContact OD1-N 2.79Å |
| 312 | R | 95.6 | Very high | 97.1 | Very high | 201 Ų | 201 | 46.9 Ų | 46.9 | 76% | 0.758 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -123.7 | -12.2 | -171.2 | -60.1 | -175.4 | -176.6 | -163.4 | -1 | 115 | P285 N308 T310 | P285-R312 WeakPolarHBondContact CD-O 3.24Å; N308-R312 PolarHBondContact OD1-N 3.03Å; T310-R312 PolarHBondContact O-N 3.08Å; T310-R312 PolarHBondContact OG1-N 3.24Å |
| 313 | K | 97.3 | Very high | 97 | Very high | 89 Ų | 89 | 47.7 Ų | 47.7 | 39% | 0.387 | 24% | 0.241 | S | C | . | . | trans | -159 | 128.7 | 180 | -173.4 | 177.4 | 72.6 | 153.3 | 0 | 109.1 | P285 D287 N308 | P285-K313 HydrophobicContact CB-CG 4.39Å; P285-K313 WeakPolarHBondContact O-CA 3.3Å; D287-K313 HydrophobicContact CB-CD 4.11Å; D287-K313 HydrophobicContact CB-CG 4.41Å; D287-K313 IonicContact OD2-NZ 3.83Å; D287-K313 PolarHBondContact OD2-NZ 2.88Å; N308-K313 PolarHBondContact OD1-N 2.9Å; N308-K313 PolarHBondContact OD1-O 3.36Å; N308-K313 VanDerWaalsContact OD1-O 3.09Å | ||
| 314 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 122.9 | 171.8 | -180 | 67.4 | 0 | 0 | 0 | 109.4 | V251 L253 I284 P285 V286 D287 M304 N308 A316 | V251-L314 HydrophobicContact CG2-CD1 4.49Å; L253-L314 HydrophobicContact CD1-CB 4.38Å; L253-L314 HydrophobicContact CD1-CD1 3.67Å; L253-L314 HydrophobicContact CD1-CD2 3.88Å; L253-L314 HydrophobicContact CD1-CG 4.17Å; I284-L314 HydrophobicContact CD1-CB 3.92Å; P285-L314 PolarHBondContact O-N 3.27Å; V286-L314 HydrophobicContact CG1-CD2 4.45Å; D287-L314 PolarHBondContact N-O 2.78Å; M304-L314 HydrophobicContact CB-CD2 3.8Å; M304-L314 HydrophobicContact SD-CD2 4.24Å; N308-L314 HydrophobicContact CB-CD1 4.33Å; L314-A316 HydrophobicContact CD2-CB 4.43Å; L314-A316 PolarHBondContact O-N 3.38Å |
| 315 | V | 98.1 | Very high | 96.9 | Very high | 44 Ų | 44 | 50.8 Ų | 50.8 | 27% | 0.267 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 101.7 | 163 | -176 | 0 | 0 | 0 | 0 | 107.6 | D287 E290 G306 I307 | D287-V315 HydrophobicContact CB-CG2 4.24Å; E290-V315 HydrophobicContact CB-CG1 4.43Å; E290-V315 HydrophobicContact CG-CG1 3.79Å; G306-V315 CarbonylContact C-O 3.3Å; G306-V315 WeakPolarHBondContact CA-O 3.41Å; I307-V315 PolarHBondContact N-O 2.73Å; I307-V315 PolarHBondContact O-N 3.37Å |
| 316 | A | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 130.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V286 D287 L291 L314 | V286-A316 HydrophobicContact CG1-CB 3.84Å; D287-A316 PolarHBondContact O-N 3.14Å; L291-A316 HydrophobicContact CD1-CB 3.67Å; L291-A316 HydrophobicContact CG-CB 3.98Å; L314-A316 HydrophobicContact CD2-CB 4.43Å; L314-A316 PolarHBondContact O-N 3.38Å |
| 317 | T | 97.3 | Very high | 96.7 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 39% | 0.393 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -24.9 | -180 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | E305 | E305-T317 PolarHBondContact O-N 2.63Å; E305-T317 PolarHBondContact O-OG1 2.83Å |
| 318 | K | 97.4 | Very high | 96.4 | Very high | 89 Ų | 89 | 54.8 Ų | 54.8 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 135.2 | 177.7 | 173.8 | -175 | 178.6 | -167.7 | 0 | 110.2 | M304 E305 Y320 | M304-K318 WeakPolarHBondContact CA-O 3.41Å; E305-K318 HydrophobicContact CB-CB 4.19Å; E305-K318 PolarHBondContact N-O 2.92Å; E305-K318 PolarHBondContact O-N 2.8Å; E305-K318 IonicContact OE2-NZ 3.93Å; K318-Y320 HydrophobicContact CD-CE2 4.18Å; K318-Y320 VanDerWaalsContact NZ-CZ 3.34Å; K318-Y320 PolarHBondContact NZ-OH 2.7Å |
| 319 | L | 97.8 | Very high | 96.1 | Very high | 39 Ų | 39 | 62.7 Ų | 62.7 | 20% | 0.204 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122.4 | 170.6 | 175.5 | 63.7 | 0 | 0 | 0 | 107.5 | L291 L296 V302 M304 | L291-L319 HydrophobicContact CD1-CB 4.5Å; L291-L319 HydrophobicContact CD2-CB 4.32Å; L296-L319 HydrophobicContact CD2-CD1 4.29Å; L296-L319 HydrophobicContact CD2-CD2 3.73Å; V302-L319 HydrophobicContact CB-CD1 3.91Å; V302-L319 HydrophobicContact CG1-CD1 4Å; M304-L319 HydrophobicContact CE-CD1 3.8Å; M304-L319 HydrophobicContact CG-CD1 3.83Å |
| 320 | Y | 97.8 | Very high | 95.4 | Very high | 32 Ų | 32 | 61.6 Ų | 61.6 | 13% | 0.125 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 142.3 | 176.3 | -75.4 | -99.3 | 0 | 0 | 0 | 110.4 | Y235 I237 T252 I303 E305 K318 | Y235-Y320 AromaticContact CD1-CD1 3.65Å; Y235-Y320 HydrophobicContact CD1-CD1 3.65Å; Y235-Y320 AromaticContact CD1-CE1 3.96Å; Y235-Y320 HydrophobicContact CD1-CE1 3.96Å; Y235-Y320 AromaticContact CD2-CD1 3.66Å; Y235-Y320 HydrophobicContact CD2-CD1 3.66Å; Y235-Y320 HydrophobicContact CD2-CE1 4.41Å; Y235-Y320 HydrophobicContact CD2-CG 4.39Å; Y235-Y320 AromaticContact CE1-CD1 3.93Å; Y235-Y320 HydrophobicContact CE1-CD1 3.93Å; Y235-Y320 AromaticContact CE2-CD1 3.93Å; Y235-Y320 HydrophobicContact CE2-CD1 3.93Å; Y235-Y320 HydrophobicContact CE2-CG 4.47Å; Y235-Y320 AromaticContact CG-CD1 3.5Å; Y235-Y320 HydrophobicContact CG-CD1 3.5Å; Y235-Y320 AromaticContact CG-CE1 3.86Å; Y235-Y320 HydrophobicContact CG-CE1 3.86Å; I237-Y320 HydrophobicContact CD1-CE1 4.23Å; T252-Y320 HydrophobicContact CG2-CE2 4.37Å; I303-Y320 HydrophobicContact CB-CD2 3.93Å; I303-Y320 HydrophobicContact CB-CG 4.18Å; I303-Y320 HydrophobicContact CG2-CD2 3.51Å; I303-Y320 HydrophobicContact CG2-CE2 3.91Å; I303-Y320 HydrophobicContact CG2-CG 4.13Å; I303-Y320 WeakPolarHBondContact O-CD2 3.19Å; I303-Y320 PolarHBondContact O-N 3.45Å; E305-Y320 HydrophobicContact CB-CE2 4.1Å; E305-Y320 PolarHBondContact OE2-OH 2.86Å; K318-Y320 HydrophobicContact CD-CE2 4.18Å; K318-Y320 VanDerWaalsContact NZ-CZ 3.34Å; K318-Y320 PolarHBondContact NZ-OH 2.7Å |
| 321 | E | 96.1 | Very high | 94.9 | Very high | 107 Ų | 107 | 60.9 Ų | 60.9 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 138.6 | 179.1 | -171 | 174.7 | 176.3 | 0 | 0 | 110.3 | Y235 K500 | Y235-E321 WeakPolarHBondContact CE2-O 3.13Å; Y235-E321 WeakPolarHBondContact OH-CB 3.45Å; Y235-E321 PolarHBondContact OH-N 3.05Å; Y235-E321 PolarHBondContact OH-O 3.02Å; E321-K500 WeakPolarHBondContact OE1-CE 3.33Å; E321-K500 IonicContact OE1-NZ 2.62Å; E321-K500 PolarHBondContact OE1-NZ 2.7Å |
| 322 | G | 96.3 | Very high | 94.1 | Very high | 23 Ų | 23 | 69.6 Ų | 69.6 | 24% | 0.237 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 145.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T504 | G322-T504 VanDerWaalsContact C-CG2 3.45Å; G322-T504 VanDerWaalsContact O-CG2 3.26Å; G322-T504 WeakPolarHBondContact O-CG2 3.36Å |
| 323 | V | 97.9 | Very high | 93.2 | Very high | 22 Ų | 22 | 66.9 Ų | 66.9 | 13% | 0.133 | 34% | 0.344 | C | S | . | . | trans | -114.5 | 116.7 | -177.2 | -178.6 | 0 | 0 | 0 | 0 | 109.2 | L231 Y235 R506 | L231-V323 HydrophobicContact CD2-CB 3.76Å; L231-V323 HydrophobicContact CD2-CG2 3.54Å; Y235-V323 HydrophobicContact CE2-CG2 3.88Å; V323-R506 PolarHBondContact O-NE 3.37Å | ||
| 324 | P | 97.2 | Very high | 92.2 | Very high | 37 Ų | 37 | 63 Ų | 63 | 24% | 0.24 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 163.5 | 178 | 36.5 | -38.4 | 0 | 0 | 0 | 110.3 | L503 T504 L552 | P324-L503 WeakPolarHBondContact CA-O 3.26Å; P324-L503 HydrophobicContact CB-CB 4.46Å; P324-T504 HydrophobicContact CB-CG2 4.37Å; P324-L552 HydrophobicContact CB-CD1 4.35Å; P324-L552 HydrophobicContact CG-CD1 4.1Å |
| 325 | L | 96.6 | Very high | 90.8 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 15% | 0.147 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 159.3 | 170.3 | -78 | 167 | 0 | 0 | 0 | 111 | R506 L531 T534 | L325-R506 HydrophobicContact CD1-CB 4.27Å; L325-R506 HydrophobicContact CD1-CG 4.23Å; L325-R506 HydrophobicContact CG-CG 4.01Å; L325-L531 HydrophobicContact CD1-CB 4.47Å; L325-L531 WeakPolarHBondContact CD1-O 3.45Å; L325-T534 PolarHBondContact N-OG1 3.47Å; L325-T534 WeakPolarHBondContact O-CB 3.34Å; L325-T534 PolarHBondContact O-OG1 2.88Å |
| 326 | P | 96.1 | Very high | 89.9 | Confident | 92 Ų | 92 | 69.9 Ų | 69.9 | 60% | 0.597 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 155.8 | 166.4 | 27.4 | -34.5 | 0 | 0 | 0 | 110.7 | V533 T534 | P326-V533 WeakPolarHBondContact O-CB 3.33Å; P326-T534 PolarHBondContact O-N 3.13Å |
| 327 | F | 95.1 | Very high | 89.3 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 19% | 0.189 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 158.6 | 169.9 | -70.2 | -82.8 | 0 | 0 | 0 | 110.9 | Q329 T534 P535 L552 C554 R586 | F327-Q329 PolarHBondContact O-N 2.75Å; F327-T534 HydrophobicContact CD1-CG2 3.96Å; F327-T534 WeakPolarHBondContact CD1-O 3.48Å; F327-T534 HydrophobicContact CE1-CG2 3.21Å; F327-T534 HydrophobicContact CE2-CG2 4.11Å; F327-T534 HydrophobicContact CZ-CG2 3.27Å; F327-P535 WeakPolarHBondContact CE1-O 3.3Å; F327-L552 WeakPolarHBondContact CZ-O 3.41Å; F327-C554 HydrophobicContact CE1-CB 4.43Å; F327-R586 VanDerWaalsContact CG-NE 3.27Å; F327-R586 VanDerWaalsContact CZ-CZ 3.49Å |
| 328 | Y | 92.7 | Very high | 88.7 | Confident | 69 Ų | 69 | 75 Ų | 75 | 27% | 0.271 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 130.7 | 171.7 | 177.7 | -109.4 | 0 | 0 | 0 | 111.3 | P330 D334 I468 | Y328-P330 WeakPolarHBondContact O-CD 3.16Å; Y328-D334 PolarHBondContact OH-OD2 3.32Å; Y328-I468 VanDerWaalsContact CB-CG1 3.43Å; Y328-I468 HydrophobicContact CD1-CD1 3.94Å; Y328-I468 HydrophobicContact CD1-CG1 4Å; Y328-I468 HydrophobicContact CD2-CD1 4.37Å; Y328-I468 HydrophobicContact CE1-CD1 4.45Å; Y328-I468 HydrophobicContact CG-CD1 3.89Å; Y328-I468 HydrophobicContact CG-CG1 3.75Å |
| 329 | Q | 88.6 | Confident | 88.4 | Confident | 165 Ų | 165 | 74.3 Ų | 74.3 | 77% | 0.771 | 39% | 0.39 | S | S | * | . | trans | -86.1 | 115 | 173.3 | -69 | -175.2 | 2.3 | 0 | 0 | 108.7 | F327 | F327-Q329 PolarHBondContact O-N 2.75Š| ||
| 330 | P | 82.3 | Confident | 88.2 | Confident | 62 Ų | 62 | 72.6 Ų | 72.6 | 40% | 0.403 | 38% | 0.381 | S | S | . | . | trans | -68 | 144.5 | -177.7 | -15.9 | 31.4 | 0 | 0 | 0 | 111.2 | Y328 D334 | Y328-P330 WeakPolarHBondContact O-CD 3.16Å; P330-D334 HydrophobicContact CB-CB 4.02Å | ||
| 331 | T | 83.4 | Confident | 88.1 | Confident | 68 Ų | 68 | 71 Ų | 71 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | trans | -81 | 165.3 | 168 | 64 | 0 | 0 | 0 | 0 | 110.7 | E333 D334 | T331-E333 PolarHBondContact O-N 2.9Å; T331-D334 WeakPolarHBondContact CB-OD2 3.47Å; T331-D334 PolarHBondContact N-OD2 2.95Å; T331-D334 WeakPolarHBondContact O-CB 3.3Å; T331-D334 PolarHBondContact O-N 2.81Å; T331-D334 VanDerWaalsContact OG1-CG 3.26Å; T331-D334 PolarHBondContact OG1-OD2 2.99Å | ||
| 332 | E | 76.4 | Confident | 88.1 | Confident | 188 Ų | 188 | 66 Ų | 66 | 88% | 0.879 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -57.9 | -36.4 | 175.6 | -65.9 | -168 | 166.2 | 0 | 0 | 111.7 | D334 G335 | E332-D334 PolarHBondContact O-N 3.12Å; E332-G335 PolarHBondContact O-N 2.75Å; E332-G335 VanDerWaalsContact O-N 3.08Å |
| 333 | E | 76.5 | Confident | 88.3 | Confident | 144 Ų | 144 | 64.9 Ų | 64.9 | 67% | 0.673 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -62.1 | -28.2 | 176.3 | -59.4 | -178.5 | 178.7 | 0 | 0 | 112.8 | T331 G335 F337 | T331-E333 PolarHBondContact O-N 2.9Å; E333-G335 VanDerWaalsContact C-N 3.27Å; E333-G335 PolarHBondContact O-N 2.93Å; E333-F337 WeakPolarHBondContact O-CE2 3.48Å |
| 334 | D | 76.6 | Confident | 88.3 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 4% | 0.037 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -76 | -16.8 | 178.6 | -61.2 | -54.1 | 0 | 0 | 0 | 112.8 | Y328 P330 T331 E332 G466 | Y328-D334 PolarHBondContact OH-OD2 3.32Å; P330-D334 HydrophobicContact CB-CB 4.02Å; T331-D334 WeakPolarHBondContact CB-OD2 3.47Å; T331-D334 PolarHBondContact N-OD2 2.95Å; T331-D334 WeakPolarHBondContact O-CB 3.3Å; T331-D334 PolarHBondContact O-N 2.81Å; T331-D334 VanDerWaalsContact OG1-CG 3.26Å; T331-D334 PolarHBondContact OG1-OD2 2.99Å; E332-D334 PolarHBondContact O-N 3.12Å; D334-G466 VanDerWaalsContact OD1-CA 3.28Å; D334-G466 WeakPolarHBondContact OD1-CA 3.46Å |
| 335 | G | 69.5 | Low | 88.4 | Confident | 44 Ų | 44 | 62 Ų | 62 | 45% | 0.454 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -77.5 | -20.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | E332 E333 | E332-G335 PolarHBondContact O-N 2.75Å; E332-G335 VanDerWaalsContact O-N 3.08Å; E333-G335 VanDerWaalsContact C-N 3.27Å; E333-G335 PolarHBondContact O-N 2.93Å |
| 336 | D | 79.1 | Confident | 88.5 | Confident | 144 Ų | 144 | 60.7 Ų | 60.7 | 77% | 0.77 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -90.6 | -4 | -173.1 | -72.1 | -21.2 | 0 | 0 | 0 | 113.7 | E338 | D336-E338 PolarHBondContact O-N 2.96Š|
| 337 | F | 84.6 | Confident | 88.6 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 130.4 | 179.1 | -69.6 | -70.1 | 0 | 0 | 0 | 111.9 | E333 N465 | E333-F337 WeakPolarHBondContact O-CE2 3.48Å; F337-N465 HydrophobicContact CB-CB 3.87Å; F337-N465 HydrophobicContact CD1-CB 3.89Å; F337-N465 HydrophobicContact CD2-CB 3.88Å; F337-N465 WeakPolarHBondContact CD2-O 3.46Å; F337-N465 HydrophobicContact CE1-CB 4.42Å; F337-N465 HydrophobicContact CE2-CB 4.41Å; F337-N465 HydrophobicContact CG-CB 3.61Å |
| 338 | E | 85.8 | Confident | 88.7 | Confident | 131 Ų | 131 | 55.3 Ų | 55.3 | 61% | 0.612 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 168.1 | 171.1 | -64 | -172.1 | -175.6 | 0 | 0 | 111.9 | R185 D336 S340 | R185-E338 IonicContact CZ-OE2 3.41Å; R185-E338 IonicContact NE-OE2 3.6Å; R185-E338 IonicContact NH1-OE2 3.09Å; R185-E338 PolarHBondContact NH1-OE2 2.98Å; R185-E338 IonicContact NH2-OE2 3.66Å; D336-E338 PolarHBondContact O-N 2.96Å; E338-S340 PolarHBondContact O-N 3.27Å |
| 339 | Q | 89.9 | Confident | 89 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -55 | 137.3 | 174.1 | -179.8 | 178.2 | 1.4 | 0 | 0 | 111.4 | R185 Y575 L576 R577 | R185-Q339 VanDerWaalsContact CZ-O 3.24Å; R185-Q339 PolarHBondContact NH1-O 3.02Å; R185-Q339 PolarHBondContact NH2-O 3.09Å; Q339-Y575 HydrophobicContact CG-CD1 4.01Å; Q339-Y575 VanDerWaalsContact NE2-CG 3.34Å; Q339-L576 CarbonylContact C-O 3.53Å; Q339-L576 WeakPolarHBondContact CA-O 3.36Å; Q339-L576 WeakPolarHBondContact CG-O 3.43Å; Q339-R577 HydrophobicContact CB-CB 4.42Å |
| 340 | S | 92.9 | Very high | 89.4 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 146.9 | 176.9 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | E338 N465 L576 | E338-S340 PolarHBondContact O-N 3.27Å; S340-N465 PolarHBondContact OG-ND2 3.46Å; S340-L576 PolarHBondContact N-O 3.31Å; S340-L576 PolarHBondContact O-N 3.01Å |
| 341 | M | 95.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 124.6 | 173.4 | -175.7 | 179.4 | 167.8 | 0 | 0 | 110.2 | W182 S183 G184 D370 P372 D373 V374 R573 L574 Y575 | W182-M341 HydrophobicContact CB-CE 4Å; W182-M341 HydrophobicContact CB-SD 4.41Å; W182-M341 HydrophobicContact CE3-CE 3.96Å; W182-M341 HydrophobicContact CE3-CG 4.35Å; W182-M341 HydrophobicContact CE3-SD 4.29Å; S183-M341 VanDerWaalsContact C-SD 3.51Å; G184-M341 PolarHBondContact N-SD 3.02Å; G184-M341 VanDerWaalsContact N-SD 3.36Å; M341-D370 HydrophobicContact CE-CB 3.97Å; M341-P372 HydrophobicContact CE-CB 4.4Å; M341-P372 HydrophobicContact CG-CB 4.16Å; M341-P372 HydrophobicContact SD-CB 4.33Å; M341-D373 PolarHBondContact N-OD2 2.92Å; M341-D373 PolarHBondContact O-N 3.37Å; M341-V374 PolarHBondContact O-N 2.81Å; M341-R573 HydrophobicContact CE-CB 3.86Å; M341-R573 HydrophobicContact CE-CG 4.43Å; M341-L574 CarbonylContact C-O 3.56Å; M341-L574 WeakPolarHBondContact CA-O 3.36Å; M341-Y575 HydrophobicContact CB-CD1 4.05Å; M341-Y575 HydrophobicContact CB-CE1 3.75Å; M341-Y575 HydrophobicContact CG-CD1 4.46Å; M341-Y575 HydrophobicContact CG-CE1 4.12Å; M341-Y575 HydrophobicContact SD-CE1 4.46Å |
| 342 | V | 97.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.5 | 174 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | V344 V374 I376 I464 F469 R573 L574 L576 | V342-V344 HydrophobicContact CG1-CG2 4.1Å; V342-V374 CarbonylContact C-O 3.6Å; V342-V374 WeakPolarHBondContact CA-O 3.08Å; V342-V374 HydrophobicContact CG1-CB 4.35Å; V342-V374 HydrophobicContact CG2-CB 4.28Å; V342-I376 HydrophobicContact CG1-CD1 3.89Å; V342-I376 HydrophobicContact CG1-CG1 4Å; V342-I464 HydrophobicContact CG1-CD1 4.41Å; V342-I464 HydrophobicContact CG2-CD1 4.2Å; V342-I464 HydrophobicContact CG2-CG2 4.36Å; V342-F469 HydrophobicContact CG2-CZ 4.28Å; V342-R573 CarbonylContact O-C 3.38Å; V342-R573 VanDerWaalsContact O-CA 3.3Å; V342-R573 WeakPolarHBondContact O-CA 3.19Å; V342-L574 HydrophobicContact CB-CB 4.48Å; V342-L574 PolarHBondContact N-O 2.99Å; V342-L574 PolarHBondContact O-N 3.48Å; V342-L576 HydrophobicContact CG2-CD1 3.62Å; V342-L576 HydrophobicContact CG2-CG 4.2Å |
| 343 | L | 98.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 139.2 | 170 | -176.3 | 148.1 | 0 | 0 | 0 | 109.3 | A345 L363 V366 I367 P372 V374 C375 I376 F571 | L343-A345 HydrophobicContact CD2-CB 4.48Å; L343-L363 HydrophobicContact CD2-CD1 4.09Å; L343-V366 HydrophobicContact CD1-CG1 4.12Å; L343-I367 HydrophobicContact CD1-CG1 4.09Å; L343-I367 HydrophobicContact CD2-CG1 4.29Å; L343-P372 HydrophobicContact CB-CB 3.89Å; L343-P372 HydrophobicContact CB-CG 3.86Å; L343-P372 HydrophobicContact CD1-CG 4.43Å; L343-V374 PolarHBondContact N-O 2.81Å; L343-C375 CarbonylContact O-C 3.1Å; L343-C375 WeakPolarHBondContact O-CA 3.39Å; L343-I376 PolarHBondContact O-N 3.49Å; L343-F571 HydrophobicContact CD1-CD2 3.99Å; L343-F571 HydrophobicContact CD1-CE2 3.94Å; L343-F571 HydrophobicContact CG-CD2 4.11Å; L343-F571 HydrophobicContact CG-CE2 4.49Å |
| 344 | V | 98.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.8 | -178.4 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | V342 I376 F378 I539 P559 F571 A572 L574 | V342-V344 HydrophobicContact CG1-CG2 4.1Å; V344-I376 WeakPolarHBondContact CA-O 3.29Å; V344-I376 HydrophobicContact CG2-CB 4.35Å; V344-I376 HydrophobicContact CG2-CD1 4.4Å; V344-F378 HydrophobicContact CG1-CD2 4.27Å; V344-F378 HydrophobicContact CG1-CE2 3.84Å; V344-I539 HydrophobicContact CG1-CG2 3.6Å; V344-I539 HydrophobicContact CG2-CD1 4.24Å; V344-P559 HydrophobicContact CG1-CB 4.39Å; V344-P559 HydrophobicContact CG1-CG 4.07Å; V344-F571 WeakPolarHBondContact O-CB 3.43Å; V344-A572 PolarHBondContact N-O 3.01Å; V344-A572 PolarHBondContact O-N 3.37Å; V344-L574 HydrophobicContact CB-CD1 4.43Å; V344-L574 HydrophobicContact CG2-CD1 3.6Å |
| 345 | A | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 153.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L343 Y349 L363 I376 L377 F378 L562 F571 | L343-A345 HydrophobicContact CD2-CB 4.48Å; A345-Y349 PolarHBondContact O-OH 3.15Å; A345-L363 HydrophobicContact CB-CD1 4.21Å; A345-L363 HydrophobicContact CB-CD2 3.75Å; A345-I376 PolarHBondContact N-O 3.1Å; A345-L377 HydrophobicContact CB-CD2 3.93Å; A345-L377 WeakPolarHBondContact O-CA 3.14Å; A345-F378 WeakPolarHBondContact O-CD2 3.5Å; A345-F378 PolarHBondContact O-N 2.62Å; A345-L562 HydrophobicContact CB-CD1 4.35Å; A345-F571 HydrophobicContact CB-CB 4.06Å |
| 346 | C | 98.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 136.7 | 179.7 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | F378 G379 P541 R561 L562 | C346-F378 WeakPolarHBondContact CA-O 3.14Å; C346-F378 HydrophobicContact CB-CB 3.81Å; C346-F378 HydrophobicContact CB-CG 4.49Å; C346-G379 PolarHBondContact SG-O 3.35Å; C346-P541 HydrophobicContact CB-CB 3.66Å; C346-P541 HydrophobicContact CB-CG 3.84Å; C346-P541 VanDerWaalsContact SG-CB 3.54Å; C346-R561 PolarHBondContact SG-NH1 3.3Å; C346-L562 VanDerWaalsContact O-CB 3.27Å; C346-L562 WeakPolarHBondContact O-CB 3.34Å; C346-L562 PolarHBondContact O-N 3.43Å |
| 347 | G | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -59.8 | 167.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y349 F378 G379 R561 | G347-Y349 VanDerWaalsContact N-CE2 3.35Å; G347-F378 PolarHBondContact N-O 3.5Å; G347-G379 PolarHBondContact N-O 3.5Å; G347-R561 WeakPolarHBondContact O-CD 3.44Å |
| 348 | P | 98.5 | Very high | 95 | Very high | 22 Ų | 22 | 25.9 Ų | 25.9 | 14% | 0.143 | 14% | 0.137 | C | C | . | . | cis | -73.4 | 145.3 | 10.8 | -20.7 | 35.2 | 0 | 0 | 0 | 114.1 | P380 D383 T563 | P348-P380 HydrophobicContact CG-CG 4.41Å; P348-D383 VanDerWaalsContact CG-OD2 3.28Å; P348-D383 WeakPolarHBondContact CG-OD2 3.39Å; P348-T563 VanDerWaalsContact O-CB 3.23Å; P348-T563 WeakPolarHBondContact O-CB 3.24Å; P348-T563 PolarHBondContact O-N 3.31Å; P348-T563 PolarHBondContact O-OG1 2.89Å | ||
| 349 | Y | 98.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | trans | -97.4 | 6.6 | -178.5 | -66 | -87.4 | 0 | 0 | 0 | 114.1 | A345 G347 L360 L363 F378 P380 F381 L562 | A345-Y349 PolarHBondContact O-OH 3.15Å; G347-Y349 VanDerWaalsContact N-CE2 3.35Å; Y349-L360 HydrophobicContact CD1-CD1 3.53Å; Y349-L360 HydrophobicContact CE1-CD1 4.24Å; Y349-L360 HydrophobicContact CG-CD1 4.01Å; Y349-L360 PolarHBondContact O-N 2.74Å; Y349-L363 HydrophobicContact CD1-CD2 4.27Å; Y349-L363 HydrophobicContact CE1-CD2 3.81Å; Y349-F378 WeakPolarHBondContact CE2-O 3.33Å; Y349-F378 PolarHBondContact OH-N 3.34Å; Y349-F378 PolarHBondContact OH-O 2.87Å; Y349-P380 WeakPolarHBondContact CD2-O 3.35Å; Y349-F381 AromaticContact CD2-CD1 3.79Å; Y349-F381 HydrophobicContact CD2-CD1 3.79Å; Y349-F381 HydrophobicContact CD2-CE1 4.12Å; Y349-F381 HydrophobicContact CD2-CG 4.48Å; Y349-F381 AromaticContact CE2-CD1 3.58Å; Y349-F381 HydrophobicContact CE2-CD1 3.58Å; Y349-F381 AromaticContact CE2-CE1 3.47Å; Y349-F381 HydrophobicContact CE2-CE1 3.47Å; Y349-F381 VanDerWaalsContact CE2-CE1 3.47Å; Y349-F381 HydrophobicContact CE2-CG 4.3Å; Y349-F381 HydrophobicContact CE2-CZ 4.11Å; Y349-F381 AromaticContact CZ-CE1 3.77Å; Y349-L562 HydrophobicContact CD1-CD2 3.36Å; Y349-L562 HydrophobicContact CE1-CD2 3.79Å; Y349-L562 HydrophobicContact CG-CD2 4.32Å | ||
| 350 | T | 96.9 | Very high | 96 | Very high | 13 Ų | 13 | 16.2 Ų | 16.2 | 8% | 0.08 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -136.8 | 158.8 | 173.9 | -166.6 | 0 | 0 | 0 | 0 | 109.5 | S354 Y357 T563 | T350-S354 WeakPolarHBondContact CG2-O 2.96Å; T350-S354 PolarHBondContact OG1-O 3.32Å; T350-Y357 PolarHBondContact OG1-N 3.44Å; T350-T563 WeakPolarHBondContact O-CG2 3.4Å |
| 351 | T | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -75.1 | 154.5 | 174.7 | 60.6 | 0 | 0 | 0 | 0 | 111 | S158 Y161 D353 S354 P359 H386 T563 G565 | S158-T351 PolarHBondContact OG-OG1 2.84Å; Y161-T351 HydrophobicContact CD2-CG2 4.29Å; Y161-T351 HydrophobicContact CG-CG2 3.96Å; T351-D353 WeakPolarHBondContact CB-OD1 3.32Å; T351-D353 PolarHBondContact O-N 3.43Å; T351-D353 VanDerWaalsContact O-N 3.08Å; T351-D353 PolarHBondContact OG1-OD1 3.48Å; T351-S354 PolarHBondContact O-N 3.24Å; T351-S354 VanDerWaalsContact O-N 3.16Å; T351-S354 WeakPolarHBondContact OG1-CB 3.39Å; T351-P359 HydrophobicContact CG2-CG 4.31Å; T351-H386 PolarHBondContact O-NE2 2.87Å; T351-T563 HydrophobicContact CG2-CG2 3.84Å; T351-G565 WeakPolarHBondContact CA-O 3.47Å | ||
| 352 | S | 93.9 | Very high | 96.4 | Very high | 53 Ų | 53 | 21.5 Ų | 21.5 | 37% | 0.371 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -15.4 | -175.8 | 62.9 | 0 | 0 | 0 | 0 | 114.7 | G565 | S352-G565 PolarHBondContact N-O 3.22Å; S352-G565 VanDerWaalsContact OG-C 3.28Å |
| 353 | D | 90.4 | Very high | 96.4 | Very high | 36 Ų | 36 | 21.6 Ų | 21.6 | 19% | 0.193 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 6.7 | -178.7 | 63 | -18 | 0 | 0 | 0 | 113.2 | T351 Q566 | T351-D353 WeakPolarHBondContact CB-OD1 3.32Å; T351-D353 PolarHBondContact O-N 3.43Å; T351-D353 VanDerWaalsContact O-N 3.08Å; T351-D353 PolarHBondContact OG1-OD1 3.48Å; D353-Q566 HydrophobicContact CB-CG 4.28Å |
| 354 | S | 91.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | trans | -153.8 | 151.3 | -166 | -168.1 | 0 | 0 | 0 | 0 | 113 | P157 S158 T350 T351 T356 H386 | P157-S354 VanDerWaalsContact CB-OG 3.31Å; P157-S354 WeakPolarHBondContact CB-OG 3.44Å; S158-S354 WeakPolarHBondContact OG-CB 3.43Å; S158-S354 PolarHBondContact OG-OG 2.76Å; T350-S354 WeakPolarHBondContact CG2-O 2.96Å; T350-S354 PolarHBondContact OG1-O 3.32Å; T351-S354 PolarHBondContact O-N 3.24Å; T351-S354 VanDerWaalsContact O-N 3.16Å; T351-S354 WeakPolarHBondContact OG1-CB 3.39Å; S354-T356 WeakPolarHBondContact OG-CG2 3.39Å; S354-T356 PolarHBondContact OG-N 3.25Å; S354-T356 PolarHBondContact OG-OG1 3.29Å; S354-H386 PolarHBondContact O-NE2 2.96Å | ||
| 355 | I | 90.9 | Very high | 96.4 | Very high | 82 Ų | 82 | 24.3 Ų | 24.3 | 42% | 0.421 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -118.8 | 23 | 174 | 59 | 166.8 | 0 | 0 | 0 | 111.7 | Y357 L394 | I355-Y357 VanDerWaalsContact O-CD2 3.27Å; I355-Y357 WeakPolarHBondContact O-CD2 3.16Å; I355-L394 HydrophobicContact CD1-CD2 3.98Å; I355-L394 HydrophobicContact CG2-CD2 4.18Å |
| 356 | T | 90 | Very high | 96.3 | Very high | 60 Ų | 60 | 25.4 Ų | 25.4 | 37% | 0.368 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -81.9 | -16.6 | -178 | 51.8 | 0 | 0 | 0 | 0 | 113.2 | P157 S158 S354 D358 | P157-T356 HydrophobicContact CB-CG2 4.29Å; S158-T356 PolarHBondContact OG-OG1 3.04Å; S354-T356 WeakPolarHBondContact OG-CG2 3.39Å; S354-T356 PolarHBondContact OG-N 3.25Å; S354-T356 PolarHBondContact OG-OG1 3.29Å; T356-D358 PolarHBondContact O-N 3.41Å; T356-D358 PolarHBondContact OG1-OD2 3.38Å |
| 357 | Y | 96.4 | Very high | 96.3 | Very high | 32 Ų | 32 | 25.5 Ų | 25.5 | 13% | 0.125 | 15% | 0.147 | C | C | . | . | trans | 57 | 32.2 | -178 | -68.5 | -98.3 | 0 | 0 | 0 | 113.5 | T350 I355 P359 L360 L361 F381 C405 | T350-Y357 PolarHBondContact OG1-N 3.44Å; I355-Y357 VanDerWaalsContact O-CD2 3.27Å; I355-Y357 WeakPolarHBondContact O-CD2 3.16Å; Y357-P359 VanDerWaalsContact C-CD 3.43Å; Y357-P359 VanDerWaalsContact C-N 3.3Å; Y357-L360 HydrophobicContact CD1-CB 4.32Å; Y357-L360 HydrophobicContact CD1-CD2 3.94Å; Y357-L360 HydrophobicContact CG-CD2 4.38Å; Y357-L360 WeakPolarHBondContact O-CA 3.46Å; Y357-L360 WeakPolarHBondContact O-CB 3.35Å; Y357-L360 PolarHBondContact O-N 3.38Å; Y357-L361 PolarHBondContact O-N 2.74Å; Y357-L361 VanDerWaalsContact O-N 3.12Å; Y357-F381 WeakPolarHBondContact CE1-O 3.23Å; Y357-F381 PolarHBondContact OH-O 3.06Å; Y357-C405 HydrophobicContact CE1-CB 4.46Å | ||
| 358 | D | 96.7 | Very high | 96.2 | Very high | 34 Ų | 34 | 27.6 Ų | 27.6 | 18% | 0.182 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -51.5 | -42.4 | 176.2 | -59.5 | -45.9 | 0 | 0 | 0 | 113 | S158 Y161 N162 T356 L360 L361 D362 | S158-D358 WeakPolarHBondContact CB-OD2 3.35Å; S158-D358 PolarHBondContact OG-OD2 2.92Å; Y161-D358 HydrophobicContact CD1-CB 3.74Å; Y161-D358 HydrophobicContact CE1-CB 3.69Å; N162-D358 PolarHBondContact ND2-OD2 2.77Å; T356-D358 PolarHBondContact O-N 3.41Å; T356-D358 PolarHBondContact OG1-OD2 3.38Å; D358-L360 VanDerWaalsContact C-N 3.29Å; D358-L360 PolarHBondContact O-N 2.91Å; D358-L361 PolarHBondContact O-N 3.46Å; D358-D362 PolarHBondContact O-N 3.33Å |
| 359 | P | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.7 | -33.5 | 174.9 | -19.7 | 31.4 | 0 | 0 | 0 | 114.8 | Y161 T351 Y357 L363 L562 T563 | Y161-P359 HydrophobicContact CD1-CG 4.19Å; Y161-P359 HydrophobicContact CD2-CG 3.95Å; Y161-P359 HydrophobicContact CE1-CB 4.35Å; Y161-P359 HydrophobicContact CE1-CG 3.9Å; Y161-P359 HydrophobicContact CE2-CB 3.93Å; Y161-P359 HydrophobicContact CE2-CG 3.66Å; Y161-P359 HydrophobicContact CG-CG 4.24Å; Y161-P359 VanDerWaalsContact OH-CA 3.28Å; Y161-P359 WeakPolarHBondContact OH-CA 3.39Å; T351-P359 HydrophobicContact CG2-CG 4.31Å; Y357-P359 VanDerWaalsContact C-CD 3.43Å; Y357-P359 VanDerWaalsContact C-N 3.3Å; P359-L363 WeakPolarHBondContact O-CB 3.13Å; P359-L363 PolarHBondContact O-N 3.47Å; P359-L562 HydrophobicContact CB-CD2 4.21Å; P359-L562 HydrophobicContact CB-CG 4.47Å; P359-T563 HydrophobicContact CG-CG2 4.3Å; P359-T563 WeakPolarHBondContact CG-OG1 3.3Å |
| 360 | L | 98.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.4 | -44.8 | 174.8 | -172.6 | 62.5 | 0 | 0 | 0 | 111.5 | Y349 Y357 D358 D362 L363 I364 C405 I409 | Y349-L360 HydrophobicContact CD1-CD1 3.53Å; Y349-L360 HydrophobicContact CE1-CD1 4.24Å; Y349-L360 HydrophobicContact CG-CD1 4.01Å; Y349-L360 PolarHBondContact O-N 2.74Å; Y357-L360 HydrophobicContact CD1-CB 4.32Å; Y357-L360 HydrophobicContact CD1-CD2 3.94Å; Y357-L360 HydrophobicContact CG-CD2 4.38Å; Y357-L360 WeakPolarHBondContact O-CA 3.46Å; Y357-L360 WeakPolarHBondContact O-CB 3.35Å; Y357-L360 PolarHBondContact O-N 3.38Å; D358-L360 VanDerWaalsContact C-N 3.29Å; D358-L360 PolarHBondContact O-N 2.91Å; L360-D362 VanDerWaalsContact C-N 3.33Å; L360-L363 WeakPolarHBondContact O-CB 3.24Å; L360-L363 PolarHBondContact O-N 3.13Å; L360-I364 HydrophobicContact CG-CD1 4.16Å; L360-I364 WeakPolarHBondContact O-CG1 3.3Å; L360-I364 PolarHBondContact O-N 3.32Å; L360-C405 VanDerWaalsContact CD2-SG 3.59Å; L360-I409 HydrophobicContact CD1-CD1 3.79Å; L360-I409 HydrophobicContact CD1-CG1 3.67Å; L360-I409 HydrophobicContact CD2-CD1 4.39Å; L360-I409 HydrophobicContact CD2-CG1 4.04Å; L360-I409 HydrophobicContact CG-CG1 4.15Å |
| 361 | L | 98.3 | Very high | 95.9 | Very high | 87 Ų | 87 | 37.9 Ų | 37.9 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.5 | -41.1 | -179.9 | -61.9 | 179.1 | 0 | 0 | 0 | 110.9 | Y357 D358 L363 I364 A365 T408 | Y357-L361 PolarHBondContact O-N 2.74Å; Y357-L361 VanDerWaalsContact O-N 3.12Å; D358-L361 PolarHBondContact O-N 3.46Å; L361-L363 VanDerWaalsContact C-N 3.33Å; L361-I364 HydrophobicContact CD2-CD1 4.45Å; L361-I364 PolarHBondContact O-N 2.99Å; L361-A365 PolarHBondContact O-N 3.19Å; L361-T408 HydrophobicContact CD2-CG2 3.97Å |
| 362 | D | 98.3 | Very high | 95.9 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 14% | 0.139 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -37 | 173.6 | -84.4 | -37.1 | 0 | 0 | 0 | 112.2 | Y161 R164 R167 D358 L360 A365 V366 I598 | Y161-D362 WeakPolarHBondContact OH-CB 3.42Å; Y161-D362 PolarHBondContact OH-OD2 2.99Å; Y161-D362 VanDerWaalsContact OH-OD2 3.06Å; R164-D362 IonicContact CZ-OD2 3.64Å; R164-D362 IonicContact NH1-OD2 2.77Å; R164-D362 PolarHBondContact NH1-OD2 3.45Å; R164-D362 IonicContact NH2-OD2 3.99Å; R164-D362 PolarHBondContact NH2-OD2 3.03Å; R167-D362 IonicContact CZ-OD1 3.05Å; R167-D362 IonicContact NH1-OD1 3.52Å; R167-D362 PolarHBondContact NH1-OD1 2.83Å; R167-D362 IonicContact NH1-OD2 2.67Å; R167-D362 IonicContact NH2-OD1 3.48Å; R167-D362 PolarHBondContact NH2-OD1 2.89Å; D358-D362 PolarHBondContact O-N 3.33Å; L360-D362 VanDerWaalsContact C-N 3.33Å; D362-A365 WeakPolarHBondContact O-CB 3.34Å; D362-A365 PolarHBondContact O-N 2.77Å; D362-V366 WeakPolarHBondContact O-CG2 3.27Å; D362-V366 PolarHBondContact O-N 2.79Å; D362-I598 HydrophobicContact CB-CD1 4.39Å; D362-I598 HydrophobicContact CB-CG1 4.21Å |
| 363 | L | 98.6 | Very high | 96 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 173.5 | 179.4 | 65.5 | 0 | 0 | 0 | 112 | L343 A345 Y349 P359 L360 L361 A365 V366 I367 L377 L562 I598 | L343-L363 HydrophobicContact CD2-CD1 4.09Å; A345-L363 HydrophobicContact CB-CD1 4.21Å; A345-L363 HydrophobicContact CB-CD2 3.75Å; Y349-L363 HydrophobicContact CD1-CD2 4.27Å; Y349-L363 HydrophobicContact CE1-CD2 3.81Å; P359-L363 WeakPolarHBondContact O-CB 3.13Å; P359-L363 PolarHBondContact O-N 3.47Å; L360-L363 WeakPolarHBondContact O-CB 3.24Å; L360-L363 PolarHBondContact O-N 3.13Å; L361-L363 VanDerWaalsContact C-N 3.33Å; L363-A365 VanDerWaalsContact C-N 3.28Å; L363-A365 PolarHBondContact O-N 3.35Å; L363-V366 WeakPolarHBondContact O-CB 3.09Å; L363-V366 PolarHBondContact O-N 3.05Å; L363-V366 VanDerWaalsContact O-N 3.13Å; L363-I367 HydrophobicContact CD1-CD1 4.48Å; L363-I367 HydrophobicContact CG-CD1 4.07Å; L363-I367 WeakPolarHBondContact O-CG1 3.45Å; L363-I367 PolarHBondContact O-N 3.1Å; L363-L377 HydrophobicContact CD2-CD2 3.99Å; L363-L562 HydrophobicContact CB-CD2 4.18Å; L363-L562 HydrophobicContact CD1-CD1 4.36Å; L363-L562 HydrophobicContact CD2-CD1 4.46Å; L363-L562 HydrophobicContact CD2-CD2 3.9Å; L363-I598 HydrophobicContact CB-CD1 4.18Å; L363-I598 HydrophobicContact CD1-CD1 4.33Å |
| 364 | I | 98.6 | Very high | 96.4 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.6 | -41.6 | 175.3 | -69.7 | 163.7 | 0 | 0 | 0 | 110.5 | L360 L361 V366 I367 N368 T408 I409 G412 T413 | L360-I364 HydrophobicContact CG-CD1 4.16Å; L360-I364 WeakPolarHBondContact O-CG1 3.3Å; L360-I364 PolarHBondContact O-N 3.32Å; L361-I364 HydrophobicContact CD2-CD1 4.45Å; L361-I364 PolarHBondContact O-N 2.99Å; I364-V366 VanDerWaalsContact C-N 3.33Å; I364-V366 PolarHBondContact O-N 3.35Å; I364-I367 PolarHBondContact O-N 2.97Å; I364-N368 PolarHBondContact O-N 3.3Å; I364-N368 PolarHBondContact O-ND2 2.89Å; I364-N368 VanDerWaalsContact O-ND2 3.1Å; I364-T408 HydrophobicContact CD1-CG2 3.91Å; I364-I409 HydrophobicContact CD1-CG1 4.5Å; I364-G412 WeakPolarHBondContact CG2-O 3.41Å; I364-T413 HydrophobicContact CB-CG2 4.44Å; I364-T413 HydrophobicContact CG1-CG2 4.23Å; I364-T413 HydrophobicContact CG2-CG2 4.03Å |
| 365 | A | 98.1 | Very high | 96.7 | Very high | 44 Ų | 44 | 33.7 Ų | 33.7 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L361 D362 L363 N368 H369 | L361-A365 PolarHBondContact O-N 3.19Å; D362-A365 WeakPolarHBondContact O-CB 3.34Å; D362-A365 PolarHBondContact O-N 2.77Å; L363-A365 VanDerWaalsContact C-N 3.28Å; L363-A365 PolarHBondContact O-N 3.35Å; A365-N368 PolarHBondContact O-N 3.29Å; A365-H369 WeakPolarHBondContact O-CB 3.49Å; A365-H369 PolarHBondContact O-N 2.9Å |
| 366 | V | 97.5 | Very high | 97.1 | Very high | 23 Ų | 23 | 29.8 Ų | 29.8 | 14% | 0.139 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 174.3 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | L343 D362 L363 I364 N368 H369 D370 F571 I598 | L343-V366 HydrophobicContact CD1-CG1 4.12Å; D362-V366 WeakPolarHBondContact O-CG2 3.27Å; D362-V366 PolarHBondContact O-N 2.79Å; L363-V366 WeakPolarHBondContact O-CB 3.09Å; L363-V366 PolarHBondContact O-N 3.05Å; L363-V366 VanDerWaalsContact O-N 3.13Å; I364-V366 VanDerWaalsContact C-N 3.33Å; I364-V366 PolarHBondContact O-N 3.35Å; V366-N368 VanDerWaalsContact C-N 3.32Å; V366-N368 PolarHBondContact O-N 3.01Å; V366-H369 PolarHBondContact O-N 2.77Å; V366-D370 WeakPolarHBondContact O-CB 3.36Å; V366-D370 PolarHBondContact O-N 2.72Å; V366-F571 HydrophobicContact CG1-CE1 4.47Å; V366-F571 HydrophobicContact CG1-CE2 3.94Å; V366-F571 HydrophobicContact CG1-CZ 3.69Å; V366-I598 HydrophobicContact CG2-CD1 3.95Å |
| 367 | I | 98 | Very high | 97.5 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 178.5 | -67.9 | 166.6 | 0 | 0 | 0 | 110.8 | L343 L363 I364 H369 R371 P372 C375 T413 | L343-I367 HydrophobicContact CD1-CG1 4.09Å; L343-I367 HydrophobicContact CD2-CG1 4.29Å; L363-I367 HydrophobicContact CD1-CD1 4.48Å; L363-I367 HydrophobicContact CG-CD1 4.07Å; L363-I367 WeakPolarHBondContact O-CG1 3.45Å; L363-I367 PolarHBondContact O-N 3.1Å; I364-I367 PolarHBondContact O-N 2.97Å; I367-H369 VanDerWaalsContact C-N 3.35Å; I367-R371 VanDerWaalsContact O-CA 3.28Å; I367-R371 WeakPolarHBondContact O-CA 3.43Å; I367-R371 PolarHBondContact O-N 2.97Å; I367-P372 HydrophobicContact CG2-CG 4.31Å; I367-P372 WeakPolarHBondContact O-CD 3.35Å; I367-C375 HydrophobicContact CD1-CB 4.48Å; I367-T413 HydrophobicContact CB-CG2 4.07Å; I367-T413 HydrophobicContact CD1-CG2 4.1Å; I367-T413 HydrophobicContact CG2-CG2 3.71Å |
| 368 | N | 97.3 | Very high | 97.6 | Very high | 44 Ų | 44 | 25.5 Ų | 25.5 | 24% | 0.235 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.2 | -33.8 | 177.9 | -73.1 | -43.4 | 0 | 0 | 0 | 113.2 | I364 A365 V366 R371 G412 S415 | I364-N368 PolarHBondContact O-N 3.3Å; I364-N368 PolarHBondContact O-ND2 2.89Å; I364-N368 VanDerWaalsContact O-ND2 3.1Å; A365-N368 PolarHBondContact O-N 3.29Å; V366-N368 VanDerWaalsContact C-N 3.32Å; V366-N368 PolarHBondContact O-N 3.01Å; N368-R371 VanDerWaalsContact O-CG 3.29Å; N368-R371 WeakPolarHBondContact O-CG 3.35Å; N368-G412 PolarHBondContact ND2-O 3.4Å; N368-G412 PolarHBondContact OD1-O 3.01Å; N368-S415 PolarHBondContact OD1-OG 3.33Å |
| 369 | H | 95.6 | Very high | 97.7 | Very high | 149 Ų | 149 | 23.9 Ų | 23.9 | 69% | 0.69 | 12% | 0.122 | S | C | * | . | H | α-helix | trans | -73.3 | -54.3 | 177.9 | 177 | -86.5 | 0 | 0 | 0 | 112 | A365 V366 I367 | A365-H369 WeakPolarHBondContact O-CB 3.49Å; A365-H369 PolarHBondContact O-N 2.9Å; V366-H369 PolarHBondContact O-N 2.77Å; I367-H369 VanDerWaalsContact C-N 3.35Å |
| 370 | D | 95.2 | Very high | 97.8 | Very high | 12 Ų | 12 | 23.9 Ų | 23.9 | 6% | 0.064 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -77.8 | -24.2 | -175 | -71.7 | 12.2 | 0 | 0 | 0 | 111.7 | S183 G184 M341 V366 R573 | S183-D370 CarbonylContact C-O 3.52Å; S183-D370 WeakPolarHBondContact CA-O 3.28Å; S183-D370 PolarHBondContact OG-O 2.9Å; S183-D370 VanDerWaalsContact OG-O 3.11Å; G184-D370 PolarHBondContact N-O 3.44Å; M341-D370 HydrophobicContact CE-CB 3.97Å; V366-D370 WeakPolarHBondContact O-CB 3.36Å; V366-D370 PolarHBondContact O-N 2.72Å; D370-R573 IonicContact OD2-NH1 2.9Å; D370-R573 PolarHBondContact OD2-NH1 2.85Å |
| 371 | R | 96.1 | Very high | 97.8 | Very high | 93 Ų | 93 | 23.9 Ų | 23.9 | 35% | 0.351 | 12% | 0.122 | S | C | . | . | trans | 49.2 | 55.3 | -178.7 | -55.1 | 179 | 65.1 | 83.1 | 4.7 | 113 | G184 G186 I367 N368 S415 S416 | G184-R371 CarbonylContact C-O 3.56Å; G184-R371 WeakPolarHBondContact CA-O 3.23Å; G184-R371 PolarHBondContact N-O 3.41Å; G186-R371 WeakPolarHBondContact CA-O 3.41Å; G186-R371 PolarHBondContact N-O 2.67Å; I367-R371 VanDerWaalsContact O-CA 3.28Å; I367-R371 WeakPolarHBondContact O-CA 3.43Å; I367-R371 PolarHBondContact O-N 2.97Å; N368-R371 VanDerWaalsContact O-CG 3.29Å; N368-R371 WeakPolarHBondContact O-CG 3.35Å; R371-S415 PolarHBondContact NH1-O 3.25Å; R371-S415 PolarHBondContact NH2-O 2.94Å; R371-S416 VanDerWaalsContact CZ-O 3.23Å; R371-S416 PolarHBondContact NH2-O 3.06Å | ||
| 372 | P | 96.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -59.2 | 153.5 | 177.2 | 30.3 | -37.2 | 0 | 0 | 0 | 111 | M341 L343 I367 V374 C375 S418 | M341-P372 HydrophobicContact CE-CB 4.4Å; M341-P372 HydrophobicContact CG-CB 4.16Å; M341-P372 HydrophobicContact SD-CB 4.33Å; L343-P372 HydrophobicContact CB-CB 3.89Å; L343-P372 HydrophobicContact CB-CG 3.86Å; L343-P372 HydrophobicContact CD1-CG 4.43Å; I367-P372 HydrophobicContact CG2-CG 4.31Å; I367-P372 WeakPolarHBondContact O-CD 3.35Å; P372-V374 VanDerWaalsContact C-N 3.34Å; P372-C375 WeakPolarHBondContact CG-SG 3.28Å; P372-S418 WeakPolarHBondContact O-CA 3.26Å; P372-S418 WeakPolarHBondContact O-CB 3.34Å; P372-S418 PolarHBondContact O-OG 2.95Å | ||
| 373 | D | 96.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.011 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -71.1 | -35.2 | 177.6 | -56.3 | -99.9 | 0 | 0 | 0 | 111.2 | G184 R185 G186 I191 M341 H419 | G184-D373 WeakPolarHBondContact CA-OD2 3.14Å; R185-D373 PolarHBondContact N-OD1 2.85Å; R185-D373 IonicContact NH2-OD1 2.8Å; G186-D373 WeakPolarHBondContact O-CA 3.33Å; I191-D373 HydrophobicContact CD1-CB 3.81Å; I191-D373 HydrophobicContact CG1-CB 4.47Å; M341-D373 PolarHBondContact N-OD2 2.92Å; M341-D373 PolarHBondContact O-N 3.37Å; D373-H419 PolarHBondContact O-N 3.45Å |
| 374 | V | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 137.7 | 178.7 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | I191 L193 M341 V342 L343 P372 I376 H419 V421 I464 | I191-V374 HydrophobicContact CG2-CG2 4.09Å; L193-V374 HydrophobicContact CD2-CG1 4.33Å; L193-V374 HydrophobicContact CD2-CG2 3.98Å; M341-V374 PolarHBondContact O-N 2.81Å; V342-V374 CarbonylContact C-O 3.6Å; V342-V374 WeakPolarHBondContact CA-O 3.08Å; V342-V374 HydrophobicContact CG1-CB 4.35Å; V342-V374 HydrophobicContact CG2-CB 4.28Å; L343-V374 PolarHBondContact N-O 2.81Å; P372-V374 VanDerWaalsContact C-N 3.34Å; V374-I376 HydrophobicContact CG1-CG1 4.23Å; V374-H419 CarbonylContact C-O 3.57Å; V374-H419 WeakPolarHBondContact CA-O 3.41Å; V374-H419 HydrophobicContact CG2-CB 4.48Å; V374-V421 HydrophobicContact CG1-CG2 3.97Å; V374-I464 HydrophobicContact CG1-CD1 4.25Å; V374-I464 HydrophobicContact CG2-CG2 3.98Å |
| 375 | C | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.4 | 169.7 | -63 | 0 | 0 | 0 | 0 | 109.6 | L343 I367 P372 H419 L420 V421 | L343-C375 CarbonylContact O-C 3.1Å; L343-C375 WeakPolarHBondContact O-CA 3.39Å; I367-C375 HydrophobicContact CD1-CB 4.48Å; P372-C375 WeakPolarHBondContact CG-SG 3.28Å; C375-H419 PolarHBondContact N-O 3.3Å; C375-L420 HydrophobicContact CB-CD2 3.8Å; C375-V421 PolarHBondContact O-N 3.06Å |
| 376 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 114.8 | 173.3 | -47 | 177.5 | 0 | 0 | 0 | 108.3 | V342 L343 V344 A345 V374 F378 V421 V423 I464 F469 L471 | V342-I376 HydrophobicContact CG1-CD1 3.89Å; V342-I376 HydrophobicContact CG1-CG1 4Å; L343-I376 PolarHBondContact O-N 3.49Å; V344-I376 WeakPolarHBondContact CA-O 3.29Å; V344-I376 HydrophobicContact CG2-CB 4.35Å; V344-I376 HydrophobicContact CG2-CD1 4.4Å; A345-I376 PolarHBondContact N-O 3.1Å; V374-I376 HydrophobicContact CG1-CG1 4.23Å; I376-F378 HydrophobicContact CB-CE2 4.24Å; I376-F378 HydrophobicContact CG2-CD2 4.1Å; I376-F378 HydrophobicContact CG2-CE2 3.46Å; I376-F378 VanDerWaalsContact CG2-CE2 3.46Å; I376-F378 HydrophobicContact CG2-CZ 3.97Å; I376-V421 CarbonylContact C-O 3.56Å; I376-V421 WeakPolarHBondContact CA-O 3.35Å; I376-V421 HydrophobicContact CG1-CB 4.38Å; I376-V421 HydrophobicContact CG2-CB 4.44Å; I376-V421 HydrophobicContact CG2-CG1 4.4Å; I376-V423 HydrophobicContact CG2-CG2 3.83Å; I376-I464 HydrophobicContact CD1-CD1 3.98Å; I376-F469 HydrophobicContact CD1-CD1 4.23Å; I376-L471 HydrophobicContact CD1-CD2 3.94Å; I376-L471 HydrophobicContact CG2-CD1 4.19Å; I376-L471 HydrophobicContact CG2-CD2 4.34Å |
| 377 | L | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 109.8 | -174.9 | -58.2 | -178.5 | 0 | 0 | 0 | 109.3 | A345 L363 F381 I409 V421 F422 V423 | A345-L377 HydrophobicContact CB-CD2 3.93Å; A345-L377 WeakPolarHBondContact O-CA 3.14Å; L363-L377 HydrophobicContact CD2-CD2 3.99Å; L377-F381 HydrophobicContact CB-CE1 4.25Å; L377-F381 HydrophobicContact CB-CZ 3.93Å; L377-I409 HydrophobicContact CD1-CD1 4.37Å; L377-I409 HydrophobicContact CD1-CG2 3.68Å; L377-V421 PolarHBondContact N-O 3.39Å; L377-F422 HydrophobicContact CB-CD1 4.22Å; L377-F422 HydrophobicContact CB-CE1 4.34Å; L377-F422 HydrophobicContact CD1-CD1 4.48Å; L377-F422 HydrophobicContact CD1-CE1 3.8Å; L377-F422 HydrophobicContact CD1-CZ 4.23Å; L377-V423 PolarHBondContact O-N 3.23Å |
| 378 | F | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 142 | 177.1 | -64.4 | -104.2 | 0 | 0 | 0 | 110.1 | V344 A345 C346 G347 Y349 I376 V423 L471 T472 I539 P541 | V344-F378 HydrophobicContact CG1-CD2 4.27Å; V344-F378 HydrophobicContact CG1-CE2 3.84Å; A345-F378 WeakPolarHBondContact O-CD2 3.5Å; A345-F378 PolarHBondContact O-N 2.62Å; C346-F378 WeakPolarHBondContact CA-O 3.14Å; C346-F378 HydrophobicContact CB-CB 3.81Å; C346-F378 HydrophobicContact CB-CG 4.49Å; G347-F378 PolarHBondContact N-O 3.5Å; Y349-F378 WeakPolarHBondContact CE2-O 3.33Å; Y349-F378 PolarHBondContact OH-N 3.34Å; Y349-F378 PolarHBondContact OH-O 2.87Å; I376-F378 HydrophobicContact CB-CE2 4.24Å; I376-F378 HydrophobicContact CG2-CD2 4.1Å; I376-F378 HydrophobicContact CG2-CE2 3.46Å; I376-F378 VanDerWaalsContact CG2-CE2 3.46Å; I376-F378 HydrophobicContact CG2-CZ 3.97Å; F378-V423 CarbonylContact C-O 3.6Å; F378-V423 WeakPolarHBondContact CA-O 3.15Å; F378-V423 HydrophobicContact CD1-CB 3.75Å; F378-V423 HydrophobicContact CD1-CG1 3.76Å; F378-V423 HydrophobicContact CD1-CG2 4.12Å; F378-V423 HydrophobicContact CE1-CB 4.1Å; F378-V423 HydrophobicContact CE1-CG1 3.92Å; F378-V423 HydrophobicContact CE1-CG2 4.04Å; F378-V423 HydrophobicContact CG-CB 4.17Å; F378-V423 HydrophobicContact CG-CG2 4.45Å; F378-V423 HydrophobicContact CZ-CG2 4.29Å; F378-L471 HydrophobicContact CE1-CB 4.02Å; F378-L471 HydrophobicContact CZ-CB 3.96Å; F378-L471 HydrophobicContact CZ-CD2 3.9Å; F378-L471 HydrophobicContact CZ-CG 4.44Å; F378-T472 WeakPolarHBondContact CE1-O 3.44Å; F378-I539 HydrophobicContact CE1-CG2 4.45Å; F378-I539 HydrophobicContact CE2-CB 4.34Å; F378-I539 HydrophobicContact CE2-CG2 3.52Å; F378-I539 HydrophobicContact CZ-CB 3.89Å; F378-I539 HydrophobicContact CZ-CG2 3.46Å; F378-I539 VanDerWaalsContact CZ-CG2 3.46Å; F378-P541 HydrophobicContact CD1-CG 4.22Å; F378-P541 HydrophobicContact CD2-CG 4.3Å; F378-P541 HydrophobicContact CE1-CG 4.46Å; F378-P541 HydrophobicContact CG-CG 4.13Å |
| 379 | G | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -60.1 | 178.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C346 G347 V423 | C346-G379 PolarHBondContact SG-O 3.35Å; G347-G379 PolarHBondContact N-O 3.5Å; G379-V423 PolarHBondContact N-O 3.27Å |
| 380 | P | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.137 | C | C | . | . | cis | -78.2 | 134.2 | -1 | 29.8 | -34.3 | 0 | 0 | 0 | 112.8 | P348 Y349 D383 R427 D428 | P348-P380 HydrophobicContact CG-CG 4.41Å; Y349-P380 WeakPolarHBondContact CD2-O 3.35Å; P380-D383 HydrophobicContact CB-CB 3.94Å; P380-D383 HydrophobicContact CG-CB 3.77Å; P380-R427 HydrophobicContact CB-CB 3.73Å; P380-R427 HydrophobicContact CG-CB 3.85Å; P380-D428 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 381 | F | 98.4 | Very high | 97 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -81 | -40.7 | 170.1 | -65.7 | -77 | 0 | 0 | 0 | 111.2 | Y349 Y357 L377 F402 I409 F422 D428 F440 | Y349-F381 AromaticContact CD2-CD1 3.79Å; Y349-F381 HydrophobicContact CD2-CD1 3.79Å; Y349-F381 HydrophobicContact CD2-CE1 4.12Å; Y349-F381 HydrophobicContact CD2-CG 4.48Å; Y349-F381 AromaticContact CE2-CD1 3.58Å; Y349-F381 HydrophobicContact CE2-CD1 3.58Å; Y349-F381 AromaticContact CE2-CE1 3.47Å; Y349-F381 HydrophobicContact CE2-CE1 3.47Å; Y349-F381 VanDerWaalsContact CE2-CE1 3.47Å; Y349-F381 HydrophobicContact CE2-CG 4.3Å; Y349-F381 HydrophobicContact CE2-CZ 4.11Å; Y349-F381 AromaticContact CZ-CE1 3.77Å; Y357-F381 WeakPolarHBondContact CE1-O 3.23Å; Y357-F381 PolarHBondContact OH-O 3.06Å; L377-F381 HydrophobicContact CB-CE1 4.25Å; L377-F381 HydrophobicContact CB-CZ 3.93Å; F381-F402 HydrophobicContact CB-CD2 3.89Å; F381-F402 HydrophobicContact CB-CE2 4.05Å; F381-F402 HydrophobicContact CD2-CE2 4Å; F381-F402 HydrophobicContact CG-CE2 4.19Å; F381-I409 HydrophobicContact CD1-CD1 4.07Å; F381-I409 HydrophobicContact CE1-CD1 3.87Å; F381-F422 HydrophobicContact CE1-CD1 4.04Å; F381-F422 HydrophobicContact CE1-CE1 4.13Å; F381-F422 HydrophobicContact CE2-CD1 4.11Å; F381-F422 AromaticContact CZ-CD1 3.52Å; F381-F422 HydrophobicContact CZ-CD1 3.52Å; F381-F422 HydrophobicContact CZ-CE1 4.07Å; F381-D428 PolarHBondContact N-OD1 3.3Å; F381-F440 AromaticContact CD2-CE2 3.88Å; F381-F440 HydrophobicContact CD2-CE2 3.88Å; F381-F440 AromaticContact CD2-CZ 3.9Å; F381-F440 HydrophobicContact CD2-CZ 3.9Å; F381-F440 AromaticContact CE2-CE2 3.72Å; F381-F440 HydrophobicContact CE2-CE2 3.72Å; F381-F440 HydrophobicContact CE2-CZ 4.17Å |
| 382 | L | 97.9 | Very high | 96.9 | Very high | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -123.3 | 98.8 | 167.9 | -178.5 | 62.5 | 0 | 0 | 0 | 108.6 | A384 V389 L394 F398 I401 D428 V429 | L382-A384 PolarHBondContact O-N 3.39Å; L382-V389 HydrophobicContact CD1-CG2 3.66Å; L382-V389 HydrophobicContact CG-CG2 4.21Å; L382-L394 HydrophobicContact CD1-CD1 4.42Å; L382-F398 HydrophobicContact CD2-CB 3.78Å; L382-F398 HydrophobicContact CD2-CD1 4.05Å; L382-F398 HydrophobicContact CD2-CG 4.22Å; L382-F398 WeakPolarHBondContact CD2-O 3.4Å; L382-I401 HydrophobicContact CD1-CG2 3.86Å; L382-I401 HydrophobicContact CD2-CB 4.08Å; L382-I401 HydrophobicContact CD2-CG2 4.09Å; L382-D428 PolarHBondContact N-OD1 2.69Å; L382-V429 HydrophobicContact CB-CG1 4.24Å; L382-V429 HydrophobicContact CD2-CG1 3.47Å; L382-V429 VanDerWaalsContact CD2-CG1 3.47Å; L382-V429 HydrophobicContact CG-CG1 3.58Å; L382-V429 PolarHBondContact O-N 3.48Å; L382-V429 VanDerWaalsContact O-N 3.08Å |
| 383 | D | 98.1 | Very high | 96.7 | Very high | 18 Ų | 18 | 37 Ų | 37 | 10% | 0.096 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -75.1 | 119.1 | -169.5 | -170.5 | -3 | 0 | 0 | 0 | 112.4 | P348 P380 K385 H386 V389 R427 | P348-D383 VanDerWaalsContact CG-OD2 3.28Å; P348-D383 WeakPolarHBondContact CG-OD2 3.39Å; P380-D383 HydrophobicContact CB-CB 3.94Å; P380-D383 HydrophobicContact CG-CB 3.77Å; D383-K385 PolarHBondContact O-N 3.06Å; D383-K385 PolarHBondContact OD1-N 2.73Å; D383-H386 HydrophobicContact CB-CB 4.24Å; D383-H386 VanDerWaalsContact O-CB 3.23Å; D383-H386 WeakPolarHBondContact O-CB 3.43Å; D383-H386 PolarHBondContact O-N 3.33Å; D383-V389 WeakPolarHBondContact O-CB 3.4Å; D383-V389 WeakPolarHBondContact O-CG2 3.25Å; D383-R427 CarbonylContact C-O 3.59Å; D383-R427 WeakPolarHBondContact CA-O 3.28Å; D383-R427 IonicContact OD1-CZ 3.64Å; D383-R427 IonicContact OD1-NE 2.91Å; D383-R427 PolarHBondContact OD1-NE 2.91Å; D383-R427 IonicContact OD1-NH2 3.96Å; D383-R427 PolarHBondContact OD1-NH2 3.03Å; D383-R427 IonicContact OD2-CZ 3.92Å; D383-R427 IonicContact OD2-NE 2.94Å; D383-R427 IonicContact OD2-NH2 2.76Å; D383-R427 PolarHBondContact OD2-NH2 3.2Å |
| 384 | A | 97.7 | Very high | 96.5 | Very high | 35 Ų | 35 | 38.2 Ų | 38.2 | 29% | 0.289 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L382 H386 R427 V429 | L382-A384 PolarHBondContact O-N 3.39Å; A384-H386 VanDerWaalsContact C-N 3.34Å; A384-R427 WeakPolarHBondContact CB-O 3.45Å; A384-R427 PolarHBondContact N-O 3.06Å; A384-V429 HydrophobicContact CB-CB 3.93Å; A384-V429 HydrophobicContact CB-CG2 4.17Å |
| 385 | K | 95.9 | Very high | 96.2 | Very high | 115 Ų | 115 | 44.5 Ų | 44.5 | 50% | 0.5 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 4.9 | 177.1 | -58.2 | -168.6 | 178.8 | -175.9 | 0 | 113.3 | D383 D517 | D383-K385 PolarHBondContact O-N 3.06Å; D383-K385 PolarHBondContact OD1-N 2.73Å; K385-D517 IonicContact NZ-OD2 3.08Å; K385-D517 PolarHBondContact NZ-OD2 3.39Å |
| 386 | H | 96.8 | Very high | 96 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 7% | 0.069 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -76.5 | 133.4 | 174.7 | -177.3 | -83.5 | 0 | 0 | 0 | 110.6 | T351 S354 D383 A384 Q388 V389 E390 | T351-H386 PolarHBondContact O-NE2 2.87Å; S354-H386 PolarHBondContact O-NE2 2.96Å; D383-H386 HydrophobicContact CB-CB 4.24Å; D383-H386 VanDerWaalsContact O-CB 3.23Å; D383-H386 WeakPolarHBondContact O-CB 3.43Å; D383-H386 PolarHBondContact O-N 3.33Å; A384-H386 VanDerWaalsContact C-N 3.34Å; H386-Q388 VanDerWaalsContact C-N 3.3Å; H386-Q388 PolarHBondContact ND1-N 2.9Å; H386-Q388 PolarHBondContact O-N 2.95Å; H386-Q388 VanDerWaalsContact O-N 3.12Å; H386-V389 HydrophobicContact CB-CB 4.25Å; H386-V389 HydrophobicContact CB-CG2 3.96Å; H386-V389 WeakPolarHBondContact O-CA 3.45Å; H386-V389 WeakPolarHBondContact O-CB 3.34Å; H386-V389 PolarHBondContact O-N 3Å; H386-E390 PolarHBondContact O-N 2.96Å |
| 387 | E | 93.8 | Very high | 95.9 | Very high | 126 Ų | 126 | 51.1 Ų | 51.1 | 59% | 0.589 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -51.7 | -43.9 | -172.2 | -175.6 | -176.3 | 169.8 | 0 | 0 | 113.5 | V389 N391 | E387-V389 VanDerWaalsContact C-N 3.33Å; E387-V389 PolarHBondContact O-N 3.4Å; E387-N391 WeakPolarHBondContact O-CB 3.17Å; E387-N391 PolarHBondContact O-N 3.38Å; E387-N391 VanDerWaalsContact O-N 3.16Å; E387-N391 PolarHBondContact O-ND2 3.45Å |
| 388 | Q | 93.2 | Very high | 95.9 | Very high | 39 Ų | 39 | 54 Ų | 54 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73 | -23.9 | 179.4 | -62.4 | -179.1 | 40.4 | 0 | 0 | 113.8 | H386 C392 L393 L394 | H386-Q388 VanDerWaalsContact C-N 3.3Å; H386-Q388 PolarHBondContact ND1-N 2.9Å; H386-Q388 PolarHBondContact O-N 2.95Å; H386-Q388 VanDerWaalsContact O-N 3.12Å; Q388-C392 PolarHBondContact O-N 2.81Å; Q388-L393 HydrophobicContact CB-CB 4.33Å; Q388-L393 PolarHBondContact O-N 3.15Å; Q388-L394 HydrophobicContact CB-CD2 4.29Å; Q388-L394 HydrophobicContact CB-CG 4.41Å |
| 389 | V | 96.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -78.6 | -51.9 | 177.4 | 175.5 | 0 | 0 | 0 | 0 | 109.1 | L382 D383 H386 E387 N391 C392 L394 F398 V429 | L382-V389 HydrophobicContact CD1-CG2 3.66Å; L382-V389 HydrophobicContact CG-CG2 4.21Å; D383-V389 WeakPolarHBondContact O-CB 3.4Å; D383-V389 WeakPolarHBondContact O-CG2 3.25Å; H386-V389 HydrophobicContact CB-CB 4.25Å; H386-V389 HydrophobicContact CB-CG2 3.96Å; H386-V389 WeakPolarHBondContact O-CA 3.45Å; H386-V389 WeakPolarHBondContact O-CB 3.34Å; H386-V389 PolarHBondContact O-N 3Å; E387-V389 VanDerWaalsContact C-N 3.33Å; E387-V389 PolarHBondContact O-N 3.4Å; V389-N391 VanDerWaalsContact C-N 3.3Å; V389-N391 PolarHBondContact O-N 2.61Å; V389-C392 PolarHBondContact O-N 2.79Å; V389-L394 HydrophobicContact CB-CD1 4.4Å; V389-L394 HydrophobicContact CG2-CD1 3.61Å; V389-F398 HydrophobicContact CG1-CE1 4.09Å; V389-F398 HydrophobicContact CG1-CZ 4.17Å; V389-V429 HydrophobicContact CG1-CB 3.95Å; V389-V429 HydrophobicContact CG1-CG1 3.85Å; V389-V429 HydrophobicContact CG1-CG2 3.77Å |
| 390 | E | 95.4 | Very high | 95.6 | Very high | 139 Ų | 139 | 61.3 Ų | 61.3 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.3 | -39.4 | -179 | -173.8 | 175.8 | -160.8 | 0 | 0 | 112.2 | H386 C392 | H386-E390 PolarHBondContact O-N 2.96Å; E390-C392 VanDerWaalsContact C-N 3.29Å; E390-C392 PolarHBondContact O-N 3.26Å |
| 391 | N | 94.6 | Very high | 95.5 | Very high | 93 Ų | 93 | 62.8 Ų | 62.8 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 7.1 | 177.7 | -65.5 | -63.8 | 0 | 0 | 0 | 113.8 | E387 V389 L393 | E387-N391 WeakPolarHBondContact O-CB 3.17Å; E387-N391 PolarHBondContact O-N 3.38Å; E387-N391 VanDerWaalsContact O-N 3.16Å; E387-N391 PolarHBondContact O-ND2 3.45Å; V389-N391 VanDerWaalsContact C-N 3.3Å; V389-N391 PolarHBondContact O-N 2.61Å; N391-L393 HydrophobicContact CB-CD1 4.05Å; N391-L393 HydrophobicContact CB-CD2 4.43Å; N391-L393 HydrophobicContact CB-CG 3.81Å; N391-L393 PolarHBondContact O-N 3.3Å |
| 392 | C | 93.6 | Very high | 95.5 | Very high | 94 Ų | 94 | 62.7 Ų | 62.7 | 64% | 0.635 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 39.7 | -179.8 | -63.7 | 0 | 0 | 0 | 0 | 113.7 | Q388 V389 E390 L394 | Q388-C392 PolarHBondContact O-N 2.81Å; V389-C392 PolarHBondContact O-N 2.79Å; E390-C392 VanDerWaalsContact C-N 3.29Å; E390-C392 PolarHBondContact O-N 3.26Å; C392-L394 VanDerWaalsContact C-N 3.34Å |
| 393 | L | 92.3 | Very high | 95.4 | Very high | 86 Ų | 86 | 64.8 Ų | 64.8 | 45% | 0.45 | 35% | 0.347 | S | S | . | . | trans | -86.1 | -8.8 | -178.9 | -60.1 | 178.7 | 0 | 0 | 0 | 112.9 | Q388 N391 | Q388-L393 HydrophobicContact CB-CB 4.33Å; Q388-L393 PolarHBondContact O-N 3.15Å; N391-L393 HydrophobicContact CB-CD1 4.05Å; N391-L393 HydrophobicContact CB-CD2 4.43Å; N391-L393 HydrophobicContact CB-CG 3.81Å; N391-L393 PolarHBondContact O-N 3.3Å | ||
| 394 | L | 92.1 | Very high | 95.3 | Very high | 27 Ų | 27 | 68.6 Ų | 68.6 | 14% | 0.141 | 37% | 0.365 | C | S | . | . | trans | -69.9 | 139.2 | 177.7 | -64.4 | 170 | 0 | 0 | 0 | 111 | I355 L382 Q388 V389 C392 F398 I401 | I355-L394 HydrophobicContact CD1-CD2 3.98Å; I355-L394 HydrophobicContact CG2-CD2 4.18Å; L382-L394 HydrophobicContact CD1-CD1 4.42Å; Q388-L394 HydrophobicContact CB-CD2 4.29Å; Q388-L394 HydrophobicContact CB-CG 4.41Å; V389-L394 HydrophobicContact CB-CD1 4.4Å; V389-L394 HydrophobicContact CG2-CD1 3.61Å; C392-L394 VanDerWaalsContact C-N 3.34Å; L394-F398 HydrophobicContact CD1-CD1 4.17Å; L394-F398 HydrophobicContact CD1-CE1 3.98Å; L394-I401 HydrophobicContact CB-CD1 4.04Å; L394-I401 HydrophobicContact CD1-CD1 3.67Å; L394-I401 HydrophobicContact CD2-CD1 4.24Å; L394-I401 HydrophobicContact CG-CD1 4.2Å | ||
| 395 | T | 93.1 | Very high | 95.2 | Very high | 132 Ų | 132 | 67.2 Ų | 67.2 | 81% | 0.81 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -90.7 | -2.2 | -178.7 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 396 | S | 93.8 | Very high | 95.3 | Very high | 59 Ų | 59 | 61.8 Ų | 61.8 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -122.7 | 150.6 | -179.6 | -57.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 397 | P | 96.9 | Very high | 95.3 | Very high | 80 Ų | 80 | 65.2 Ų | 65.2 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | trans | -57.1 | 145.1 | 173.9 | -23.5 | 34.3 | 0 | 0 | 0 | 112.1 | E399 D400 I401 | P397-E399 VanDerWaalsContact C-N 3.28Å; P397-E399 PolarHBondContact O-N 3.42Å; P397-D400 HydrophobicContact CB-CB 4.47Å; P397-D400 WeakPolarHBondContact CD-OD2 3.48Å; P397-D400 WeakPolarHBondContact CG-OD2 3.49Å; P397-D400 PolarHBondContact O-N 3.04Å; P397-D400 VanDerWaalsContact O-N 3.09Å; P397-I401 PolarHBondContact O-N 3.22Å | ||
| 398 | F | 97.3 | Very high | 95.5 | Very high | 62 Ų | 62 | 61.2 Ų | 61.2 | 27% | 0.272 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.5 | -41.1 | -179.9 | -61.9 | -30.9 | 0 | 0 | 0 | 112.9 | L382 V389 L394 D400 I401 F402 V429 H430 | L382-F398 HydrophobicContact CD2-CB 3.78Å; L382-F398 HydrophobicContact CD2-CD1 4.05Å; L382-F398 HydrophobicContact CD2-CG 4.22Å; L382-F398 WeakPolarHBondContact CD2-O 3.4Å; V389-F398 HydrophobicContact CG1-CE1 4.09Å; V389-F398 HydrophobicContact CG1-CZ 4.17Å; L394-F398 HydrophobicContact CD1-CD1 4.17Å; L394-F398 HydrophobicContact CD1-CE1 3.98Å; F398-D400 VanDerWaalsContact C-N 3.32Å; F398-D400 PolarHBondContact O-N 3.13Å; F398-I401 PolarHBondContact O-N 3.47Å; F398-F402 PolarHBondContact O-N 3.05Å; F398-V429 HydrophobicContact CB-CG1 3.88Å; F398-V429 HydrophobicContact CD1-CG1 4.19Å; F398-V429 HydrophobicContact CD2-CG1 3.91Å; F398-V429 HydrophobicContact CD2-CG2 3.85Å; F398-V429 HydrophobicContact CE2-CG1 4.49Å; F398-V429 HydrophobicContact CE2-CG2 3.8Å; F398-V429 HydrophobicContact CG-CG1 3.75Å; F398-V429 HydrophobicContact CG-CG2 4.5Å; F398-V429 HydrophobicContact CZ-CG2 4.41Å; F398-H430 HydrophobicContact CB-CB 4.17Å |
| 399 | E | 96.9 | Very high | 95.7 | Very high | 66 Ų | 66 | 59.4 Ų | 59.4 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.6 | -43.1 | 176 | 179.9 | 65.5 | -176.2 | 0 | 0 | 112.1 | P397 F402 K403 H430 | P397-E399 VanDerWaalsContact C-N 3.28Å; P397-E399 PolarHBondContact O-N 3.42Å; E399-F402 PolarHBondContact O-N 3Å; E399-K403 HydrophobicContact CG-CD 4.38Å; E399-K403 WeakPolarHBondContact O-CB 3.49Å; E399-K403 VanDerWaalsContact O-CG 3.29Å; E399-K403 WeakPolarHBondContact O-CG 3.49Å; E399-K403 PolarHBondContact O-N 2.91Å; E399-K403 WeakPolarHBondContact OE1-CE 3.47Å; E399-K403 IonicContact OE1-NZ 2.55Å; E399-K403 PolarHBondContact OE1-NZ 3.25Å; E399-H430 IonicContact OE2-CD2 3.94Å; E399-H430 PolarHBondContact OE2-CD2 3.34Å |
| 400 | D | 96 | Very high | 95.7 | Very high | 87 Ų | 87 | 59.6 Ų | 59.6 | 47% | 0.465 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.1 | -38.2 | -178.3 | -68.5 | -20.9 | 0 | 0 | 0 | 111.6 | P397 F398 K403 Q404 | P397-D400 HydrophobicContact CB-CB 4.47Å; P397-D400 WeakPolarHBondContact CD-OD2 3.48Å; P397-D400 WeakPolarHBondContact CG-OD2 3.49Å; P397-D400 PolarHBondContact O-N 3.04Å; P397-D400 VanDerWaalsContact O-N 3.09Å; F398-D400 VanDerWaalsContact C-N 3.32Å; F398-D400 PolarHBondContact O-N 3.13Å; D400-K403 PolarHBondContact O-N 3.4Å; D400-Q404 WeakPolarHBondContact O-CB 3.42Å; D400-Q404 PolarHBondContact O-N 3.25Å |
| 401 | I | 96.1 | Very high | 95.8 | Very high | 31 Ų | 31 | 57.7 Ų | 57.7 | 16% | 0.159 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 176.2 | -63.2 | 170.3 | 0 | 0 | 0 | 110.2 | L382 L394 P397 F398 Q404 C405 | L382-I401 HydrophobicContact CD1-CG2 3.86Å; L382-I401 HydrophobicContact CD2-CB 4.08Å; L382-I401 HydrophobicContact CD2-CG2 4.09Å; L394-I401 HydrophobicContact CB-CD1 4.04Å; L394-I401 HydrophobicContact CD1-CD1 3.67Å; L394-I401 HydrophobicContact CD2-CD1 4.24Å; L394-I401 HydrophobicContact CG-CD1 4.2Å; P397-I401 PolarHBondContact O-N 3.22Å; F398-I401 PolarHBondContact O-N 3.47Å; I401-Q404 PolarHBondContact O-N 3.08Å; I401-C405 PolarHBondContact O-N 3.48Å |
| 402 | F | 97.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59 | -50.3 | 173.8 | 167.6 | -107.9 | 0 | 0 | 0 | 111.6 | F381 F398 E399 Q404 C405 L406 H430 F440 | F381-F402 HydrophobicContact CB-CD2 3.89Å; F381-F402 HydrophobicContact CB-CE2 4.05Å; F381-F402 HydrophobicContact CD2-CE2 4Å; F381-F402 HydrophobicContact CG-CE2 4.19Å; F398-F402 PolarHBondContact O-N 3.05Å; E399-F402 PolarHBondContact O-N 3Å; F402-Q404 PolarHBondContact O-N 2.75Å; F402-C405 WeakPolarHBondContact O-CB 3.3Å; F402-C405 PolarHBondContact O-N 3.31Å; F402-C405 VanDerWaalsContact O-N 3.15Å; F402-L406 HydrophobicContact CE1-CD2 4.11Å; F402-L406 HydrophobicContact CZ-CD2 3.91Å; F402-L406 WeakPolarHBondContact O-CB 3.42Å; F402-L406 PolarHBondContact O-N 3.31Å; F402-H430 AromaticContact CD1-CD2 3.53Å; F402-H430 AromaticContact CD1-CE1 3.68Å; F402-H430 AromaticContact CD1-NE2 3.19Å; F402-H430 WeakPolarHBondContact CD1-NE2 3.29Å; F402-H430 AromaticContact CD2-CE1 3.11Å; F402-H430 WeakPolarHBondContact CD2-CE1 3.34Å; F402-H430 AromaticContact CD2-ND1 3.78Å; F402-H430 AromaticContact CD2-NE2 3.5Å; F402-H430 AromaticContact CE1-CE1 3.97Å; F402-H430 AromaticContact CE1-NE2 3.3Å; F402-H430 VanDerWaalsContact CE1-NE2 3.3Å; F402-H430 WeakPolarHBondContact CE1-NE2 3.28Å; F402-H430 AromaticContact CE2-CE1 3.44Å; F402-H430 VanDerWaalsContact CE2-CE1 3.44Å; F402-H430 WeakPolarHBondContact CE2-CE1 3.34Å; F402-H430 AromaticContact CE2-NE2 3.6Å; F402-H430 AromaticContact CG-CD2 3.71Å; F402-H430 AromaticContact CG-CE1 3.22Å; F402-H430 WeakPolarHBondContact CG-CE1 3.45Å; F402-H430 AromaticContact CG-CG 3.92Å; F402-H430 AromaticContact CG-ND1 3.61Å; F402-H430 AromaticContact CG-NE2 3.28Å; F402-H430 VanDerWaalsContact CG-NE2 3.28Å; F402-H430 WeakPolarHBondContact CG-NE2 3.04Å; F402-H430 AromaticContact CZ-CE1 3.86Å; F402-H430 AromaticContact CZ-NE2 3.5Å; F402-H430 WeakPolarHBondContact CZ-NE2 3.37Å; F402-F440 HydrophobicContact CE1-CD1 4.2Å; F402-F440 HydrophobicContact CE1-CG 4.41Å; F402-F440 HydrophobicContact CE2-CD1 4.2Å; F402-F440 HydrophobicContact CE2-CD2 4.47Å; F402-F440 HydrophobicContact CE2-CE1 4Å; F402-F440 HydrophobicContact CE2-CE2 4.27Å; F402-F440 HydrophobicContact CE2-CG 4.42Å; F402-F440 HydrophobicContact CE2-CZ 4.02Å; F402-F440 HydrophobicContact CZ-CB 4.13Å; F402-F440 AromaticContact CZ-CD1 3.61Å; F402-F440 HydrophobicContact CZ-CD1 3.61Å; F402-F440 HydrophobicContact CZ-CD2 4Å; F402-F440 AromaticContact CZ-CE1 3.89Å; F402-F440 HydrophobicContact CZ-CE1 3.89Å; F402-F440 HydrophobicContact CZ-CE2 4.25Å; F402-F440 AromaticContact CZ-CG 3.66Å; F402-F440 HydrophobicContact CZ-CG 3.66Å; F402-F440 HydrophobicContact CZ-CZ 4.19Å |
| 403 | K | 96.5 | Very high | 96 | Very high | 51 Ų | 51 | 50.4 Ų | 50.4 | 22% | 0.222 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.1 | -37.1 | 177.7 | -75 | -178 | 177.2 | 152.8 | 0 | 112.7 | E399 D400 R407 Y442 | E399-K403 HydrophobicContact CG-CD 4.38Å; E399-K403 WeakPolarHBondContact O-CB 3.49Å; E399-K403 VanDerWaalsContact O-CG 3.29Å; E399-K403 WeakPolarHBondContact O-CG 3.49Å; E399-K403 PolarHBondContact O-N 2.91Å; E399-K403 WeakPolarHBondContact OE1-CE 3.47Å; E399-K403 IonicContact OE1-NZ 2.55Å; E399-K403 PolarHBondContact OE1-NZ 3.25Å; D400-K403 PolarHBondContact O-N 3.4Å; K403-R407 VanDerWaalsContact O-CB 3.28Å; K403-R407 WeakPolarHBondContact O-CB 3.32Å; K403-R407 PolarHBondContact O-N 3.47Å; K403-Y442 HydrophobicContact CB-CE2 3.92Å; K403-Y442 HydrophobicContact CD-CE2 4.43Å; K403-Y442 HydrophobicContact CG-CD2 4Å; K403-Y442 HydrophobicContact CG-CE2 3.75Å |
| 404 | Q | 95.8 | Very high | 96.2 | Very high | 98 Ų | 98 | 51.2 Ų | 51.2 | 46% | 0.458 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.1 | -41.1 | 177.5 | -177.4 | 60.4 | 19.9 | 0 | 0 | 112.2 | D400 I401 F402 R407 T408 | D400-Q404 WeakPolarHBondContact O-CB 3.42Å; D400-Q404 PolarHBondContact O-N 3.25Å; I401-Q404 PolarHBondContact O-N 3.08Å; F402-Q404 PolarHBondContact O-N 2.75Å; Q404-R407 PolarHBondContact O-N 3.14Å; Q404-T408 WeakPolarHBondContact O-CB 3.19Å; Q404-T408 PolarHBondContact O-N 3.23Å; Q404-T408 PolarHBondContact O-OG1 3.26Å |
| 405 | C | 96.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.3 | -50.5 | 172.4 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | Y357 L360 I401 F402 R407 T408 I409 | Y357-C405 HydrophobicContact CE1-CB 4.46Å; L360-C405 VanDerWaalsContact CD2-SG 3.59Å; I401-C405 PolarHBondContact O-N 3.48Å; F402-C405 WeakPolarHBondContact O-CB 3.3Å; F402-C405 PolarHBondContact O-N 3.31Å; F402-C405 VanDerWaalsContact O-N 3.15Å; C405-R407 PolarHBondContact O-N 2.87Å; C405-T408 WeakPolarHBondContact O-CB 3.46Å; C405-T408 PolarHBondContact O-N 3.25Å; C405-T408 VanDerWaalsContact O-N 3.13Å; C405-I409 WeakPolarHBondContact O-CG1 3.47Å; C405-I409 PolarHBondContact O-N 3.03Å; C405-I409 VanDerWaalsContact O-N 3.1Å |
| 406 | L | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | -179.9 | -167.8 | 60.4 | 0 | 0 | 0 | 112.5 | F402 T408 I409 I410 F422 Y442 F455 | F402-L406 HydrophobicContact CE1-CD2 4.11Å; F402-L406 HydrophobicContact CZ-CD2 3.91Å; F402-L406 WeakPolarHBondContact O-CB 3.42Å; F402-L406 PolarHBondContact O-N 3.31Å; L406-T408 VanDerWaalsContact C-N 3.3Å; L406-T408 PolarHBondContact O-N 3.29Å; L406-I409 PolarHBondContact O-N 3.25Å; L406-I410 HydrophobicContact CD1-CD1 4.25Å; L406-I410 HydrophobicContact CG-CD1 3.82Å; L406-I410 VanDerWaalsContact O-CG1 3.27Å; L406-I410 WeakPolarHBondContact O-CG1 3.31Å; L406-I410 PolarHBondContact O-N 3.19Å; L406-F422 HydrophobicContact CD1-CD1 3.55Å; L406-F422 HydrophobicContact CD1-CD2 4.05Å; L406-F422 HydrophobicContact CD1-CE1 3.18Å; L406-F422 HydrophobicContact CD1-CE2 3.71Å; L406-F422 HydrophobicContact CD1-CG 3.98Å; L406-F422 HydrophobicContact CD1-CZ 3.27Å; L406-Y442 HydrophobicContact CB-CE2 4.49Å; L406-Y442 HydrophobicContact CD2-CD1 3.98Å; L406-Y442 HydrophobicContact CD2-CD2 3.56Å; L406-Y442 HydrophobicContact CD2-CE1 4.37Å; L406-Y442 HydrophobicContact CD2-CE2 3.95Å; L406-Y442 HydrophobicContact CD2-CG 3.55Å; L406-F455 HydrophobicContact CD1-CE1 4.14Å; L406-F455 HydrophobicContact CD2-CE1 3.75Å; L406-F455 HydrophobicContact CD2-CZ 3.78Å |
| 407 | R | 96.9 | Very high | 96.2 | Very high | 87 Ų | 87 | 45.2 Ų | 45.2 | 33% | 0.328 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.3 | -44.5 | 173.5 | -176.5 | -178 | -63.4 | 144.6 | -3.7 | 111.3 | K403 Q404 C405 I409 I410 E411 | K403-R407 VanDerWaalsContact O-CB 3.28Å; K403-R407 WeakPolarHBondContact O-CB 3.32Å; K403-R407 PolarHBondContact O-N 3.47Å; Q404-R407 PolarHBondContact O-N 3.14Å; C405-R407 PolarHBondContact O-N 2.87Å; R407-I409 VanDerWaalsContact C-N 3.31Å; R407-I409 PolarHBondContact O-N 3.34Å; R407-I410 PolarHBondContact O-N 2.92Å; R407-E411 HydrophobicContact CG-CG 3.9Å; R407-E411 WeakPolarHBondContact CG-OE1 3.4Å; R407-E411 VanDerWaalsContact O-CB 3.29Å; R407-E411 WeakPolarHBondContact O-CB 3.25Å; R407-E411 VanDerWaalsContact O-CG 3.29Å; R407-E411 WeakPolarHBondContact O-CG 3.44Å; R407-E411 PolarHBondContact O-N 3.43Å |
| 408 | T | 97.6 | Very high | 96.1 | Very high | 42 Ų | 42 | 41.5 Ų | 41.5 | 26% | 0.258 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.8 | -40 | -179.3 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | L361 I364 Q404 C405 L406 G412 | L361-T408 HydrophobicContact CD2-CG2 3.97Å; I364-T408 HydrophobicContact CD1-CG2 3.91Å; Q404-T408 WeakPolarHBondContact O-CB 3.19Å; Q404-T408 PolarHBondContact O-N 3.23Å; Q404-T408 PolarHBondContact O-OG1 3.26Å; C405-T408 WeakPolarHBondContact O-CB 3.46Å; C405-T408 PolarHBondContact O-N 3.25Å; C405-T408 VanDerWaalsContact O-N 3.13Å; L406-T408 VanDerWaalsContact C-N 3.3Å; L406-T408 PolarHBondContact O-N 3.29Å; T408-G412 VanDerWaalsContact O-CA 3.31Å; T408-G412 WeakPolarHBondContact O-CA 3.35Å; T408-G412 PolarHBondContact O-N 3.14Å |
| 409 | I | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -52.7 | 175.4 | -60.7 | 165.7 | 0 | 0 | 0 | 110.8 | L360 I364 L377 F381 C405 L406 R407 G412 T413 L420 F422 | L360-I409 HydrophobicContact CD1-CD1 3.79Å; L360-I409 HydrophobicContact CD1-CG1 3.67Å; L360-I409 HydrophobicContact CD2-CD1 4.39Å; L360-I409 HydrophobicContact CD2-CG1 4.04Å; L360-I409 HydrophobicContact CG-CG1 4.15Å; I364-I409 HydrophobicContact CD1-CG1 4.5Å; L377-I409 HydrophobicContact CD1-CD1 4.37Å; L377-I409 HydrophobicContact CD1-CG2 3.68Å; F381-I409 HydrophobicContact CD1-CD1 4.07Å; F381-I409 HydrophobicContact CE1-CD1 3.87Å; C405-I409 WeakPolarHBondContact O-CG1 3.47Å; C405-I409 PolarHBondContact O-N 3.03Å; C405-I409 VanDerWaalsContact O-N 3.1Å; L406-I409 PolarHBondContact O-N 3.25Å; R407-I409 VanDerWaalsContact C-N 3.31Å; R407-I409 PolarHBondContact O-N 3.34Å; I409-G412 PolarHBondContact O-N 3Å; I409-T413 WeakPolarHBondContact O-CB 3.09Å; I409-T413 VanDerWaalsContact O-CG2 3.31Å; I409-T413 WeakPolarHBondContact O-CG2 3.21Å; I409-T413 PolarHBondContact O-N 3.38Å; I409-T413 PolarHBondContact O-OG1 3.38Å; I409-L420 HydrophobicContact CG2-CD1 4.1Å; I409-F422 HydrophobicContact CB-CZ 4.32Å; I409-F422 HydrophobicContact CD1-CE1 3.92Å; I409-F422 HydrophobicContact CG2-CE1 4.15Å; I409-F422 HydrophobicContact CG2-CZ 3.82Å |
| 410 | I | 97.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.7 | -55.1 | -175.5 | -65.2 | 165.5 | 0 | 0 | 0 | 109.8 | L406 R407 G412 T413 R414 L420 F422 Y442 L445 D449 V453 | L406-I410 HydrophobicContact CD1-CD1 4.25Å; L406-I410 HydrophobicContact CG-CD1 3.82Å; L406-I410 VanDerWaalsContact O-CG1 3.27Å; L406-I410 WeakPolarHBondContact O-CG1 3.31Å; L406-I410 PolarHBondContact O-N 3.19Å; R407-I410 PolarHBondContact O-N 2.92Å; I410-G412 PolarHBondContact O-N 3.03Å; I410-T413 PolarHBondContact O-N 3.09Å; I410-T413 PolarHBondContact O-OG1 3.48Å; I410-R414 WeakPolarHBondContact O-CG 3.47Å; I410-R414 PolarHBondContact O-N 3Å; I410-L420 HydrophobicContact CG1-CD1 4.08Å; I410-F422 HydrophobicContact CG1-CE2 4.34Å; I410-F422 HydrophobicContact CG1-CZ 4.31Å; I410-Y442 HydrophobicContact CD1-CD1 4.45Å; I410-Y442 HydrophobicContact CD1-CE1 4.06Å; I410-L445 HydrophobicContact CD1-CD2 3.67Å; I410-D449 HydrophobicContact CG2-CB 4.07Å; I410-V453 HydrophobicContact CD1-CG1 4.43Å; I410-V453 HydrophobicContact CD1-CG2 4.14Å; I410-V453 HydrophobicContact CG1-CG2 3.91Å; I410-V453 HydrophobicContact CG2-CG2 4.09Å |
| 411 | E | 96.5 | Very high | 96.3 | Very high | 99 Ų | 99 | 33.2 Ų | 33.2 | 46% | 0.463 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.1 | -41 | -178.9 | -62.9 | -173.3 | 161.6 | 0 | 0 | 111.8 | R407 T413 | R407-E411 HydrophobicContact CG-CG 3.9Å; R407-E411 WeakPolarHBondContact CG-OE1 3.4Å; R407-E411 VanDerWaalsContact O-CB 3.29Å; R407-E411 WeakPolarHBondContact O-CB 3.25Å; R407-E411 VanDerWaalsContact O-CG 3.29Å; R407-E411 WeakPolarHBondContact O-CG 3.44Å; R407-E411 PolarHBondContact O-N 3.43Å; E411-T413 PolarHBondContact O-N 2.63Å |
| 412 | G | 96.9 | Very high | 96.5 | Very high | 30 Ų | 30 | 31.8 Ų | 31.8 | 31% | 0.309 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.8 | -23.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | I364 N368 T408 I409 I410 | I364-G412 WeakPolarHBondContact CG2-O 3.41Å; N368-G412 PolarHBondContact ND2-O 3.4Å; N368-G412 PolarHBondContact OD1-O 3.01Å; T408-G412 VanDerWaalsContact O-CA 3.31Å; T408-G412 WeakPolarHBondContact O-CA 3.35Å; T408-G412 PolarHBondContact O-N 3.14Å; I409-G412 PolarHBondContact O-N 3Å; I410-G412 PolarHBondContact O-N 3.03Å |
| 413 | T | 96.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -110.2 | -0.3 | -176.2 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | I364 I367 I409 I410 E411 S415 S416 | I364-T413 HydrophobicContact CB-CG2 4.44Å; I364-T413 HydrophobicContact CG1-CG2 4.23Å; I364-T413 HydrophobicContact CG2-CG2 4.03Å; I367-T413 HydrophobicContact CB-CG2 4.07Å; I367-T413 HydrophobicContact CD1-CG2 4.1Å; I367-T413 HydrophobicContact CG2-CG2 3.71Å; I409-T413 WeakPolarHBondContact O-CB 3.09Å; I409-T413 VanDerWaalsContact O-CG2 3.31Å; I409-T413 WeakPolarHBondContact O-CG2 3.21Å; I409-T413 PolarHBondContact O-N 3.38Å; I409-T413 PolarHBondContact O-OG1 3.38Å; I410-T413 PolarHBondContact O-N 3.09Å; I410-T413 PolarHBondContact O-OG1 3.48Å; E411-T413 PolarHBondContact O-N 2.63Å; T413-S415 PolarHBondContact O-N 3.33Å; T413-S416 WeakPolarHBondContact O-CB 3.4Å; T413-S416 PolarHBondContact O-N 2.92Å; T413-S416 PolarHBondContact O-OG 3.47Å |
| 414 | R | 94.4 | Very high | 96.6 | Very high | 103 Ų | 103 | 29.3 Ų | 29.3 | 39% | 0.389 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -49 | -38.4 | 176.5 | -76.2 | -178.4 | 176.4 | 144.9 | 2.5 | 113.4 | I410 S416 G417 D449 | I410-R414 WeakPolarHBondContact O-CG 3.47Å; I410-R414 PolarHBondContact O-N 3Å; R414-S416 VanDerWaalsContact C-N 3.28Å; R414-S416 PolarHBondContact O-N 3.31Å; R414-G417 PolarHBondContact O-N 3.01Å; R414-D449 IonicContact CZ-OD1 3.64Å; R414-D449 IonicContact CZ-OD2 3.25Å; R414-D449 IonicContact NE-OD1 2.95Å; R414-D449 PolarHBondContact NE-OD1 3.2Å; R414-D449 IonicContact NE-OD2 2.94Å; R414-D449 IonicContact NH2-OD1 3.71Å; R414-D449 PolarHBondContact NH2-OD1 3.44Å; R414-D449 IonicContact NH2-OD2 3.46Å; R414-D449 PolarHBondContact NH2-OD2 3.13Å |
| 415 | S | 92.7 | Very high | 96.8 | Very high | 82 Ų | 82 | 24.9 Ų | 24.9 | 57% | 0.573 | 13% | 0.133 | S | C | * | . | G | 310 helix | trans | -67.7 | -26.8 | -178.5 | 79.5 | 0 | 0 | 0 | 0 | 113.5 | N368 R371 T413 G417 | N368-S415 PolarHBondContact OD1-OG 3.33Å; R371-S415 PolarHBondContact NH1-O 3.25Å; R371-S415 PolarHBondContact NH2-O 2.94Å; T413-S415 PolarHBondContact O-N 3.33Å; S415-G417 VanDerWaalsContact C-N 3.34Å |
| 416 | S | 93.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -70.5 | -30.6 | 179.5 | 74.7 | 0 | 0 | 0 | 0 | 112.5 | G186 R371 T413 R414 S418 | G186-S416 WeakPolarHBondContact CA-O 3.38Å; R371-S416 VanDerWaalsContact CZ-O 3.23Å; R371-S416 PolarHBondContact NH2-O 3.06Å; T413-S416 WeakPolarHBondContact O-CB 3.4Å; T413-S416 PolarHBondContact O-N 2.92Å; T413-S416 PolarHBondContact O-OG 3.47Å; R414-S416 VanDerWaalsContact C-N 3.28Å; R414-S416 PolarHBondContact O-N 3.31Å; S416-S418 VanDerWaalsContact CB-OG 3.3Å; S416-S418 WeakPolarHBondContact CB-OG 3.21Å; S416-S418 PolarHBondContact O-N 3.44Å; S416-S418 WeakPolarHBondContact OG-CB 3.36Å; S416-S418 PolarHBondContact OG-N 3.38Å; S416-S418 VanDerWaalsContact OG-N 3.14Å; S416-S418 PolarHBondContact OG-OG 2.94Å |
| 417 | G | 93.2 | Very high | 96.9 | Very high | 11 Ų | 11 | 28.6 Ų | 28.6 | 11% | 0.113 | 15% | 0.149 | C | C | . | . | trans | 69.4 | 7.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G186 G187 R414 S415 | G186-G417 CarbonylContact C-O 3.56Å; G187-G417 WeakPolarHBondContact CA-O 3.46Å; G187-G417 PolarHBondContact N-O 2.87Å; G187-G417 VanDerWaalsContact N-O 3.09Å; R414-G417 PolarHBondContact O-N 3.01Å; S415-G417 VanDerWaalsContact C-N 3.34Å | ||
| 418 | S | 95.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 143 | 179.4 | -40.4 | 0 | 0 | 0 | 0 | 110.9 | P372 S416 | P372-S418 WeakPolarHBondContact O-CA 3.26Å; P372-S418 WeakPolarHBondContact O-CB 3.34Å; P372-S418 PolarHBondContact O-OG 2.95Å; S416-S418 VanDerWaalsContact CB-OG 3.3Å; S416-S418 WeakPolarHBondContact CB-OG 3.21Å; S416-S418 PolarHBondContact O-N 3.44Å; S416-S418 WeakPolarHBondContact OG-CB 3.36Å; S416-S418 PolarHBondContact OG-N 3.38Å; S416-S418 VanDerWaalsContact OG-N 3.14Å; S416-S418 PolarHBondContact OG-OG 2.94Å |
| 419 | H | 97.5 | Very high | 96.9 | Very high | 38 Ų | 38 | 24.8 Ų | 24.8 | 18% | 0.176 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 132.3 | 167 | -68.5 | 79.2 | 0 | 0 | 0 | 109.9 | L193 D373 V374 C375 K451 Q452 | L193-H419 HydrophobicContact CD1-CB 3.69Å; D373-H419 PolarHBondContact O-N 3.45Å; V374-H419 CarbonylContact C-O 3.57Å; V374-H419 WeakPolarHBondContact CA-O 3.41Å; V374-H419 HydrophobicContact CG2-CB 4.48Å; C375-H419 PolarHBondContact N-O 3.3Å; H419-K451 PolarHBondContact CD2-O 2.95Å; H419-Q452 CarbonylContact C-O 3.45Å; H419-Q452 VanDerWaalsContact CA-O 3.27Å; H419-Q452 WeakPolarHBondContact CA-O 3.44Å |
| 420 | L | 98.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 122.9 | 178.8 | -55.3 | -179.5 | 0 | 0 | 0 | 109.8 | C375 I409 I410 F422 Q452 V453 Q454 | C375-L420 HydrophobicContact CB-CD2 3.8Å; I409-L420 HydrophobicContact CG2-CD1 4.1Å; I410-L420 HydrophobicContact CG1-CD1 4.08Å; L420-F422 HydrophobicContact CB-CD2 4.3Å; L420-F422 HydrophobicContact CB-CE2 3.61Å; L420-F422 HydrophobicContact CB-CZ 4.15Å; L420-F422 HydrophobicContact CD1-CE2 4.02Å; L420-F422 HydrophobicContact CD1-CZ 4.01Å; L420-F422 HydrophobicContact CG-CE2 4.49Å; L420-Q452 PolarHBondContact N-O 3.21Å; L420-V453 HydrophobicContact CB-CG2 4.47Å; L420-V453 HydrophobicContact CD1-CG2 4.26Å; L420-Q454 PolarHBondContact O-N 2.98Å |
| 421 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 114.6 | 173.8 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | L193 V374 C375 I376 L377 Q454 V456 L462 | L193-V421 HydrophobicContact CD1-CG2 4.17Å; V374-V421 HydrophobicContact CG1-CG2 3.97Å; C375-V421 PolarHBondContact O-N 3.06Å; I376-V421 CarbonylContact C-O 3.56Å; I376-V421 WeakPolarHBondContact CA-O 3.35Å; I376-V421 HydrophobicContact CG1-CB 4.38Å; I376-V421 HydrophobicContact CG2-CB 4.44Å; I376-V421 HydrophobicContact CG2-CG1 4.4Å; L377-V421 PolarHBondContact N-O 3.39Å; V421-Q454 WeakPolarHBondContact CA-O 3.42Å; V421-V456 HydrophobicContact CG1-CG1 4.05Å; V421-V456 HydrophobicContact CG1-CG2 3.8Å; V421-L462 HydrophobicContact CG1-CD2 4.12Å; V421-L462 HydrophobicContact CG2-CD2 4.18Å |
| 422 | F | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.1 | 179.7 | -68.4 | -84.5 | 0 | 0 | 0 | 110.5 | L377 F381 L406 I409 I410 L420 F440 V453 Q454 F455 V456 | L377-F422 HydrophobicContact CB-CD1 4.22Å; L377-F422 HydrophobicContact CB-CE1 4.34Å; L377-F422 HydrophobicContact CD1-CD1 4.48Å; L377-F422 HydrophobicContact CD1-CE1 3.8Å; L377-F422 HydrophobicContact CD1-CZ 4.23Å; F381-F422 HydrophobicContact CE1-CD1 4.04Å; F381-F422 HydrophobicContact CE1-CE1 4.13Å; F381-F422 HydrophobicContact CE2-CD1 4.11Å; F381-F422 AromaticContact CZ-CD1 3.52Å; F381-F422 HydrophobicContact CZ-CD1 3.52Å; F381-F422 HydrophobicContact CZ-CE1 4.07Å; L406-F422 HydrophobicContact CD1-CD1 3.55Å; L406-F422 HydrophobicContact CD1-CD2 4.05Å; L406-F422 HydrophobicContact CD1-CE1 3.18Å; L406-F422 HydrophobicContact CD1-CE2 3.71Å; L406-F422 HydrophobicContact CD1-CG 3.98Å; L406-F422 HydrophobicContact CD1-CZ 3.27Å; I409-F422 HydrophobicContact CB-CZ 4.32Å; I409-F422 HydrophobicContact CD1-CE1 3.92Å; I409-F422 HydrophobicContact CG2-CE1 4.15Å; I409-F422 HydrophobicContact CG2-CZ 3.82Å; I410-F422 HydrophobicContact CG1-CE2 4.34Å; I410-F422 HydrophobicContact CG1-CZ 4.31Å; L420-F422 HydrophobicContact CB-CD2 4.3Å; L420-F422 HydrophobicContact CB-CE2 3.61Å; L420-F422 HydrophobicContact CB-CZ 4.15Å; L420-F422 HydrophobicContact CD1-CE2 4.02Å; L420-F422 HydrophobicContact CD1-CZ 4.01Å; L420-F422 HydrophobicContact CG-CE2 4.49Å; F422-F440 HydrophobicContact CB-CD2 4.29Å; F422-V453 HydrophobicContact CD2-CG1 3.93Å; F422-V453 HydrophobicContact CE2-CG1 3.82Å; F422-Q454 PolarHBondContact N-O 2.84Å; F422-F455 HydrophobicContact CB-CD1 3.61Å; F422-F455 HydrophobicContact CB-CE1 3.89Å; F422-F455 HydrophobicContact CD2-CD1 4.04Å; F422-F455 AromaticContact CD2-CE1 3.61Å; F422-F455 HydrophobicContact CD2-CE1 3.61Å; F422-F455 HydrophobicContact CD2-CZ 4.33Å; F422-F455 HydrophobicContact CE2-CE1 4.37Å; F422-F455 HydrophobicContact CG-CD1 4.09Å; F422-F455 AromaticContact CG-CE1 3.85Å; F422-F455 HydrophobicContact CG-CE1 3.85Å; F422-V456 WeakPolarHBondContact O-CG2 3.43Å; F422-V456 PolarHBondContact O-N 2.76Å; F422-V456 VanDerWaalsContact O-N 3.12Å |
| 423 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.3 | 178.2 | -171 | 0 | 0 | 0 | 0 | 108.8 | I376 L377 F378 G379 V456 E458 L471 | I376-V423 HydrophobicContact CG2-CG2 3.83Å; L377-V423 PolarHBondContact O-N 3.23Å; F378-V423 CarbonylContact C-O 3.6Å; F378-V423 WeakPolarHBondContact CA-O 3.15Å; F378-V423 HydrophobicContact CD1-CB 3.75Å; F378-V423 HydrophobicContact CD1-CG1 3.76Å; F378-V423 HydrophobicContact CD1-CG2 4.12Å; F378-V423 HydrophobicContact CE1-CB 4.1Å; F378-V423 HydrophobicContact CE1-CG1 3.92Å; F378-V423 HydrophobicContact CE1-CG2 4.04Å; F378-V423 HydrophobicContact CG-CB 4.17Å; F378-V423 HydrophobicContact CG-CG2 4.45Å; F378-V423 HydrophobicContact CZ-CG2 4.29Å; G379-V423 PolarHBondContact N-O 3.27Å; V423-V456 HydrophobicContact CB-CG2 4.44Å; V423-V456 HydrophobicContact CG2-CG2 3.76Å; V423-E458 HydrophobicContact CG1-CB 4.4Å; V423-E458 WeakPolarHBondContact CG1-OE2 3.49Å; V423-L471 HydrophobicContact CG2-CD1 4.23Å |
| 424 | P | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -71.1 | 165.9 | -178.7 | 26.6 | -30.3 | 0 | 0 | 0 | 112.8 | Q437 F440 V456 E458 S473 | P424-Q437 HydrophobicContact CG-CB 4.16Å; P424-F440 VanDerWaalsContact CA-CZ 3.45Å; P424-F440 HydrophobicContact CB-CD1 4.39Å; P424-F440 HydrophobicContact CB-CD2 4.35Å; P424-F440 HydrophobicContact CB-CE1 3.84Å; P424-F440 HydrophobicContact CB-CE2 3.8Å; P424-F440 HydrophobicContact CB-CZ 3.53Å; P424-V456 WeakPolarHBondContact CD-O 3.46Å; P424-E458 HydrophobicContact CG-CB 3.73Å; P424-S473 VanDerWaalsContact O-CB 3.25Å; P424-S473 WeakPolarHBondContact O-CB 3.44Å; P424-S473 PolarHBondContact O-OG 3.16Å | ||
| 425 | S | 98.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 24 Ų | 24 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | trans | -131.8 | 149.4 | 171.5 | -174 | 0 | 0 | 0 | 0 | 111.5 | R427 D428 Q437 S473 | S425-R427 PolarHBondContact O-N 3.41Å; S425-R427 PolarHBondContact OG-N 2.67Å; S425-D428 WeakPolarHBondContact CB-OD2 3.43Å; S425-D428 PolarHBondContact N-OD2 2.89Å; S425-D428 WeakPolarHBondContact O-CB 3.42Å; S425-D428 PolarHBondContact O-N 3.26Å; S425-Q437 VanDerWaalsContact C-NE2 3.3Å; S425-Q437 VanDerWaalsContact CA-OE1 3.28Å; S425-Q437 PolarHBondContact O-NE2 3.12Å; S425-Q437 PolarHBondContact O-OE1 3.37Å; S425-S473 VanDerWaalsContact CA-OG 3.31Å; S425-S473 WeakPolarHBondContact CA-OG 3.5Å | ||
| 426 | L | 97.5 | Very high | 97.1 | Very high | 43 Ų | 43 | 20.2 Ų | 20.2 | 23% | 0.225 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.3 | 170.9 | -68.1 | 172.7 | 0 | 0 | 0 | 112.6 | Q437 M518 | L426-Q437 HydrophobicContact CD2-CG 3.79Å; L426-M518 HydrophobicContact CD1-CE 4.48Å; L426-M518 HydrophobicContact CD1-CG 4.04Å |
| 427 | R | 97.8 | Very high | 97.3 | Very high | 42 Ų | 42 | 20.2 Ų | 20.2 | 16% | 0.158 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -2.9 | 174.1 | -69.4 | 173 | 66.3 | 163.8 | 2.1 | 113.5 | P380 D383 A384 S425 V429 E543 | P380-R427 HydrophobicContact CB-CB 3.73Å; P380-R427 HydrophobicContact CG-CB 3.85Å; D383-R427 CarbonylContact C-O 3.59Å; D383-R427 WeakPolarHBondContact CA-O 3.28Å; D383-R427 IonicContact OD1-CZ 3.64Å; D383-R427 IonicContact OD1-NE 2.91Å; D383-R427 PolarHBondContact OD1-NE 2.91Å; D383-R427 IonicContact OD1-NH2 3.96Å; D383-R427 PolarHBondContact OD1-NH2 3.03Å; D383-R427 IonicContact OD2-CZ 3.92Å; D383-R427 IonicContact OD2-NE 2.94Å; D383-R427 IonicContact OD2-NH2 2.76Å; D383-R427 PolarHBondContact OD2-NH2 3.2Å; A384-R427 WeakPolarHBondContact CB-O 3.45Å; A384-R427 PolarHBondContact N-O 3.06Å; S425-R427 PolarHBondContact O-N 3.41Å; S425-R427 PolarHBondContact OG-N 2.67Å; R427-V429 PolarHBondContact O-N 3Å; R427-V429 VanDerWaalsContact O-N 3.16Å; R427-E543 IonicContact NH1-OE1 2.88Å; R427-E543 PolarHBondContact NH1-OE1 3.1Å |
| 428 | D | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.011 | 11% | 0.105 | C | C | . | . | B | Isolated β-bridge | trans | -74.6 | 100.7 | 172.2 | -79.2 | -66.1 | 0 | 0 | 0 | 110.1 | P380 F381 L382 S425 H430 H431 F440 | P380-D428 WeakPolarHBondContact CA-OD1 3.45Å; F381-D428 PolarHBondContact N-OD1 3.3Å; L382-D428 PolarHBondContact N-OD1 2.69Å; S425-D428 WeakPolarHBondContact CB-OD2 3.43Å; S425-D428 PolarHBondContact N-OD2 2.89Å; S425-D428 WeakPolarHBondContact O-CB 3.42Å; S425-D428 PolarHBondContact O-N 3.26Å; D428-H430 PolarHBondContact O-N 3.04Å; D428-H430 IonicContact OD1-CE1 2.98Å; D428-H431 HydrophobicContact CB-CB 4.02Å; D428-H431 PolarHBondContact O-N 3.2Å; D428-F440 HydrophobicContact CB-CE1 4.26Å; D428-F440 HydrophobicContact CB-CZ 4.38Å; D428-F440 WeakPolarHBondContact OD2-CZ 3.31Å |
| 429 | V | 97.9 | Very high | 97.5 | Very high | 46 Ų | 46 | 20.6 Ų | 20.6 | 28% | 0.279 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.1 | -169.3 | 72 | 0 | 0 | 0 | 0 | 114.8 | L382 A384 V389 F398 R427 | L382-V429 HydrophobicContact CB-CG1 4.24Å; L382-V429 HydrophobicContact CD2-CG1 3.47Å; L382-V429 VanDerWaalsContact CD2-CG1 3.47Å; L382-V429 HydrophobicContact CG-CG1 3.58Å; L382-V429 PolarHBondContact O-N 3.48Å; L382-V429 VanDerWaalsContact O-N 3.08Å; A384-V429 HydrophobicContact CB-CB 3.93Å; A384-V429 HydrophobicContact CB-CG2 4.17Å; V389-V429 HydrophobicContact CG1-CB 3.95Å; V389-V429 HydrophobicContact CG1-CG1 3.85Å; V389-V429 HydrophobicContact CG1-CG2 3.77Å; F398-V429 HydrophobicContact CB-CG1 3.88Å; F398-V429 HydrophobicContact CD1-CG1 4.19Å; F398-V429 HydrophobicContact CD2-CG1 3.91Å; F398-V429 HydrophobicContact CD2-CG2 3.85Å; F398-V429 HydrophobicContact CE2-CG1 4.49Å; F398-V429 HydrophobicContact CE2-CG2 3.8Å; F398-V429 HydrophobicContact CG-CG1 3.75Å; F398-V429 HydrophobicContact CG-CG2 4.5Å; F398-V429 HydrophobicContact CZ-CG2 4.41Å; R427-V429 PolarHBondContact O-N 3Å; R427-V429 VanDerWaalsContact O-N 3.16Å |
| 430 | H | 96.7 | Very high | 97.5 | Very high | 38 Ų | 38 | 19.2 Ų | 19.2 | 18% | 0.176 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -13.2 | -179 | 71.7 | -75.8 | 0 | 0 | 0 | 113 | F398 E399 F402 D428 F440 | F398-H430 HydrophobicContact CB-CB 4.17Å; E399-H430 IonicContact OE2-CD2 3.94Å; E399-H430 PolarHBondContact OE2-CD2 3.34Å; F402-H430 AromaticContact CD1-CD2 3.53Å; F402-H430 AromaticContact CD1-CE1 3.68Å; F402-H430 AromaticContact CD1-NE2 3.19Å; F402-H430 WeakPolarHBondContact CD1-NE2 3.29Å; F402-H430 AromaticContact CD2-CE1 3.11Å; F402-H430 WeakPolarHBondContact CD2-CE1 3.34Å; F402-H430 AromaticContact CD2-ND1 3.78Å; F402-H430 AromaticContact CD2-NE2 3.5Å; F402-H430 AromaticContact CE1-CE1 3.97Å; F402-H430 AromaticContact CE1-NE2 3.3Å; F402-H430 VanDerWaalsContact CE1-NE2 3.3Å; F402-H430 WeakPolarHBondContact CE1-NE2 3.28Å; F402-H430 AromaticContact CE2-CE1 3.44Å; F402-H430 VanDerWaalsContact CE2-CE1 3.44Å; F402-H430 WeakPolarHBondContact CE2-CE1 3.34Å; F402-H430 AromaticContact CE2-NE2 3.6Å; F402-H430 AromaticContact CG-CD2 3.71Å; F402-H430 AromaticContact CG-CE1 3.22Å; F402-H430 WeakPolarHBondContact CG-CE1 3.45Å; F402-H430 AromaticContact CG-CG 3.92Å; F402-H430 AromaticContact CG-ND1 3.61Å; F402-H430 AromaticContact CG-NE2 3.28Å; F402-H430 VanDerWaalsContact CG-NE2 3.28Å; F402-H430 WeakPolarHBondContact CG-NE2 3.04Å; F402-H430 AromaticContact CZ-CE1 3.86Å; F402-H430 AromaticContact CZ-NE2 3.5Å; F402-H430 WeakPolarHBondContact CZ-NE2 3.37Å; D428-H430 PolarHBondContact O-N 3.04Å; D428-H430 IonicContact OD1-CE1 2.98Å; H430-F440 AromaticContact CE1-CE1 3.55Å; H430-F440 AromaticContact NE2-CD1 3.56Å; H430-F440 AromaticContact NE2-CE1 3.41Å; H430-F440 WeakPolarHBondContact NE2-CE1 3.47Å |
| 431 | H | 97.2 | Very high | 97.1 | Very high | 31 Ų | 31 | 23.9 Ų | 23.9 | 14% | 0.144 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -104.1 | 169.3 | -169.9 | -159.9 | 54.6 | 0 | 0 | 0 | 112.3 | D428 P433 P438 F440 | D428-H431 HydrophobicContact CB-CB 4.02Å; D428-H431 PolarHBondContact O-N 3.2Å; H431-P433 WeakPolarHBondContact O-CD 3.27Å; H431-P438 PolarHBondContact CE1-O 2.99Å; H431-P438 PolarHBondContact NE2-O 2.96Å; H431-F440 HydrophobicContact CB-CD1 4.44Å; H431-F440 HydrophobicContact CB-CE1 3.99Å; H431-F440 AromaticContact CE1-CD1 3.97Å; H431-F440 AromaticContact CG-CD1 3.91Å; H431-F440 AromaticContact CG-CE1 3.81Å; H431-F440 AromaticContact ND1-CD1 3.74Å |
| 432 | E | 94.9 | Very high | 96.8 | Very high | 53 Ų | 53 | 25 Ų | 25 | 25% | 0.248 | 14% | 0.141 | C | C | . | . | trans | -57.7 | 120.5 | 179.7 | -172.4 | 75.4 | -143.6 | 0 | 0 | 111.1 | S208 V434 Q437 | S208-E432 PolarHBondContact OG-OE1 2.99Å; E432-V434 HydrophobicContact CG-CB 4.34Å; E432-V434 PolarHBondContact O-N 2.79Å; E432-V434 VanDerWaalsContact O-N 3.1Å; E432-Q437 PolarHBondContact O-NE2 2.95Å | ||
| 433 | P | 96.1 | Very high | 96.2 | Very high | 87 Ų | 87 | 29.5 Ų | 29.5 | 57% | 0.565 | 17% | 0.172 | S | C | * | . | trans | -87.8 | 35 | -173.8 | 37.1 | -37.6 | 0 | 0 | 0 | 112.8 | H431 | H431-P433 WeakPolarHBondContact O-CD 3.27Š| ||
| 434 | V | 97.1 | Very high | 95.8 | Very high | 21 Ų | 21 | 33.8 Ų | 33.8 | 13% | 0.127 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -131.2 | 129.5 | -175.5 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | E432 P436 Q437 D521 | E432-V434 HydrophobicContact CG-CB 4.34Å; E432-V434 PolarHBondContact O-N 2.79Å; E432-V434 VanDerWaalsContact O-N 3.1Å; V434-P436 CarbonylContact O-C 3.44Å; V434-Q437 WeakPolarHBondContact O-CG 3.27Å; V434-D521 HydrophobicContact CG1-CB 3.79Å |
| 435 | Y | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -91.1 | 140.5 | 177 | -178.7 | -93 | 0 | 0 | 0 | 111.1 | E458 P459 Y508 M518 A519 I520 D521 F525 A529 | Y435-E458 HydrophobicContact CD2-CG 4.29Å; Y435-E458 HydrophobicContact CE2-CG 4.22Å; Y435-P459 HydrophobicContact CE2-CG 4.31Å; Y435-P459 WeakPolarHBondContact OH-CD 3.46Å; Y435-P459 VanDerWaalsContact OH-CG 3.31Å; Y435-P459 WeakPolarHBondContact OH-CG 3.34Å; Y435-Y508 VanDerWaalsContact OH-CB 3.26Å; Y435-Y508 WeakPolarHBondContact OH-CB 3.42Å; Y435-M518 HydrophobicContact CD1-CE 3.7Å; Y435-M518 HydrophobicContact CD2-CE 3.94Å; Y435-M518 HydrophobicContact CE1-CE 4.08Å; Y435-M518 HydrophobicContact CE2-CE 4.32Å; Y435-M518 HydrophobicContact CG-CE 3.61Å; Y435-A519 WeakPolarHBondContact CB-O 3.49Å; Y435-A519 PolarHBondContact N-O 2.77Å; Y435-I520 HydrophobicContact CD1-CD1 4.3Å; Y435-I520 HydrophobicContact CD1-CG1 4.09Å; Y435-I520 HydrophobicContact CD1-CG2 4.33Å; Y435-I520 CarbonylContact O-C 3.52Å; Y435-I520 WeakPolarHBondContact O-CA 3.2Å; Y435-D521 PolarHBondContact O-N 3.04Å; Y435-F525 HydrophobicContact CD1-CD2 4.24Å; Y435-F525 AromaticContact CE1-CD2 3.77Å; Y435-F525 HydrophobicContact CE1-CD2 3.77Å; Y435-F525 HydrophobicContact CE1-CE2 4.09Å; Y435-A529 HydrophobicContact CE1-CB 3.86Å |
| 436 | P | 96.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | S | Bend | cis | -67 | 140.4 | -8.3 | -22.8 | 36.9 | 0 | 0 | 0 | 113.5 | L202 Y206 V434 E458 T524 F525 A529 | L202-P436 HydrophobicContact CD2-CB 4.5Å; Y206-P436 VanDerWaalsContact CE1-O 3.28Å; Y206-P436 WeakPolarHBondContact CE1-O 3.18Å; Y206-P436 PolarHBondContact OH-O 2.93Å; V434-P436 CarbonylContact O-C 3.44Å; P436-E458 CarbonylContact C-O 3.58Å; P436-E458 VanDerWaalsContact CA-O 3.23Å; P436-E458 WeakPolarHBondContact CA-O 3.5Å; P436-E458 WeakPolarHBondContact CB-O 3.44Å; P436-T524 HydrophobicContact CG-CG2 4.29Å; P436-F525 HydrophobicContact CG-CB 4.43Å; P436-A529 HydrophobicContact CG-CB 3.82Å |
| 437 | Q | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -88.2 | 140.6 | 179.4 | -59.7 | 174.1 | -69.9 | 0 | 0 | 111.9 | P424 S425 L426 E432 V434 S457 E458 | P424-Q437 HydrophobicContact CG-CB 4.16Å; S425-Q437 VanDerWaalsContact C-NE2 3.3Å; S425-Q437 VanDerWaalsContact CA-OE1 3.28Å; S425-Q437 PolarHBondContact O-NE2 3.12Å; S425-Q437 PolarHBondContact O-OE1 3.37Å; L426-Q437 HydrophobicContact CD2-CG 3.79Å; E432-Q437 PolarHBondContact O-NE2 2.95Å; V434-Q437 WeakPolarHBondContact O-CG 3.27Å; Q437-S457 WeakPolarHBondContact O-CA 3.43Å; Q437-S457 VanDerWaalsContact O-CB 3.26Å; Q437-S457 WeakPolarHBondContact O-CB 3.27Å; Q437-E458 HydrophobicContact CB-CB 4.17Å; Q437-E458 PolarHBondContact N-O 3.4Å; Q437-E458 PolarHBondContact O-N 2.99Å |
| 438 | P | 96.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -69 | 164.6 | 170.8 | 32.9 | -37.2 | 0 | 0 | 0 | 111.4 | L202 G204 H431 | L202-P438 HydrophobicContact CD2-CB 4.24Å; L202-P438 HydrophobicContact CG-CB 4.28Å; G204-P438 WeakPolarHBondContact O-CB 3.35Å; H431-P438 PolarHBondContact CE1-O 2.99Å; H431-P438 PolarHBondContact NE2-O 2.96Å |
| 439 | P | 97.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 50.8 Ų | 50.8 | 12% | 0.117 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 155.1 | 172.6 | -20 | 30.3 | 0 | 0 | 0 | 113 | L202 F455 V456 | L202-P439 WeakPolarHBondContact O-CD 3.46Å; L202-P439 WeakPolarHBondContact O-CG 3.42Å; P439-F455 HydrophobicContact CB-CB 3.91Å; P439-V456 WeakPolarHBondContact CA-O 3.42Å |
| 440 | F | 96.8 | Very high | 93.8 | Very high | 9 Ų | 9 | 55 Ų | 55 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 147.4 | 171.2 | -67.9 | -61.1 | 0 | 0 | 0 | 112.3 | F381 F402 F422 P424 D428 H430 H431 F455 | F381-F440 AromaticContact CD2-CE2 3.88Å; F381-F440 HydrophobicContact CD2-CE2 3.88Å; F381-F440 AromaticContact CD2-CZ 3.9Å; F381-F440 HydrophobicContact CD2-CZ 3.9Å; F381-F440 AromaticContact CE2-CE2 3.72Å; F381-F440 HydrophobicContact CE2-CE2 3.72Å; F381-F440 HydrophobicContact CE2-CZ 4.17Å; F402-F440 HydrophobicContact CE1-CD1 4.2Å; F402-F440 HydrophobicContact CE1-CG 4.41Å; F402-F440 HydrophobicContact CE2-CD1 4.2Å; F402-F440 HydrophobicContact CE2-CD2 4.47Å; F402-F440 HydrophobicContact CE2-CE1 4Å; F402-F440 HydrophobicContact CE2-CE2 4.27Å; F402-F440 HydrophobicContact CE2-CG 4.42Å; F402-F440 HydrophobicContact CE2-CZ 4.02Å; F402-F440 HydrophobicContact CZ-CB 4.13Å; F402-F440 AromaticContact CZ-CD1 3.61Å; F402-F440 HydrophobicContact CZ-CD1 3.61Å; F402-F440 HydrophobicContact CZ-CD2 4Å; F402-F440 AromaticContact CZ-CE1 3.89Å; F402-F440 HydrophobicContact CZ-CE1 3.89Å; F402-F440 HydrophobicContact CZ-CE2 4.25Å; F402-F440 AromaticContact CZ-CG 3.66Å; F402-F440 HydrophobicContact CZ-CG 3.66Å; F402-F440 HydrophobicContact CZ-CZ 4.19Å; F422-F440 HydrophobicContact CB-CD2 4.29Å; P424-F440 VanDerWaalsContact CA-CZ 3.45Å; P424-F440 HydrophobicContact CB-CD1 4.39Å; P424-F440 HydrophobicContact CB-CD2 4.35Å; P424-F440 HydrophobicContact CB-CE1 3.84Å; P424-F440 HydrophobicContact CB-CE2 3.8Å; P424-F440 HydrophobicContact CB-CZ 3.53Å; D428-F440 HydrophobicContact CB-CE1 4.26Å; D428-F440 HydrophobicContact CB-CZ 4.38Å; D428-F440 WeakPolarHBondContact OD2-CZ 3.31Å; H430-F440 AromaticContact CE1-CE1 3.55Å; H430-F440 AromaticContact NE2-CD1 3.56Å; H430-F440 AromaticContact NE2-CE1 3.41Å; H430-F440 WeakPolarHBondContact NE2-CE1 3.47Å; H431-F440 HydrophobicContact CB-CD1 4.44Å; H431-F440 HydrophobicContact CB-CE1 3.99Å; H431-F440 AromaticContact CE1-CD1 3.97Å; H431-F440 AromaticContact CG-CD1 3.91Å; H431-F440 AromaticContact CG-CE1 3.81Å; H431-F440 AromaticContact ND1-CD1 3.74Å; F440-F455 HydrophobicContact CB-CD1 3.81Å; F440-F455 HydrophobicContact CB-CE1 4.31Å; F440-F455 HydrophobicContact CB-CG 4.34Å; F440-F455 HydrophobicContact CD2-CD1 4.2Å |
| 441 | S | 90.1 | Very high | 93.5 | Very high | 101 Ų | 101 | 61.1 Ų | 61.1 | 71% | 0.706 | 31% | 0.311 | S | S | * | . | trans | -99.6 | 107 | 173.9 | -68.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 442 | Y | 91.7 | Very high | 93.2 | Very high | 24 Ų | 24 | 62.2 Ų | 62.2 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | trans | -137.2 | 109.9 | 177.9 | -167 | -104.2 | 0 | 0 | 0 | 111.8 | K403 L406 I410 D444 L445 F455 | K403-Y442 HydrophobicContact CB-CE2 3.92Å; K403-Y442 HydrophobicContact CD-CE2 4.43Å; K403-Y442 HydrophobicContact CG-CD2 4Å; K403-Y442 HydrophobicContact CG-CE2 3.75Å; L406-Y442 HydrophobicContact CB-CE2 4.49Å; L406-Y442 HydrophobicContact CD2-CD1 3.98Å; L406-Y442 HydrophobicContact CD2-CD2 3.56Å; L406-Y442 HydrophobicContact CD2-CE1 4.37Å; L406-Y442 HydrophobicContact CD2-CE2 3.95Å; L406-Y442 HydrophobicContact CD2-CG 3.55Å; I410-Y442 HydrophobicContact CD1-CD1 4.45Å; I410-Y442 HydrophobicContact CD1-CE1 4.06Å; Y442-D444 HydrophobicContact CE1-CB 3.95Å; Y442-D444 WeakPolarHBondContact CE1-O 3.27Å; Y442-D444 HydrophobicContact CE2-CB 4.4Å; Y442-L445 HydrophobicContact CD1-CD2 3.71Å; Y442-L445 HydrophobicContact CD1-CG 3.81Å; Y442-L445 HydrophobicContact CE1-CD2 3.76Å; Y442-L445 HydrophobicContact CE1-CG 4.19Å; Y442-F455 HydrophobicContact CD1-CZ 4.27Å; Y442-F455 HydrophobicContact CG-CZ 4.27Å | ||
| 443 | S | 87.3 | Confident | 93.3 | Very high | 93 Ų | 93 | 60.3 Ų | 60.3 | 65% | 0.65 | 31% | 0.309 | S | S | * | . | trans | -88.1 | -21 | -176.7 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | L445 | S443-L445 PolarHBondContact O-N 3.2Š| ||
| 444 | D | 89.1 | Confident | 93.3 | Very high | 90 Ų | 90 | 58.6 Ų | 58.6 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | trans | -83.4 | 48 | -167.2 | -64.5 | -10 | 0 | 0 | 0 | 112.1 | Y442 | Y442-D444 HydrophobicContact CE1-CB 3.95Å; Y442-D444 WeakPolarHBondContact CE1-O 3.27Å; Y442-D444 HydrophobicContact CE2-CB 4.4Å | ||
| 445 | L | 90.9 | Very high | 93.4 | Very high | 27 Ų | 27 | 59.4 Ų | 59.4 | 14% | 0.141 | 30% | 0.295 | C | S | . | . | trans | -105.7 | 131.2 | 177.8 | -63.6 | 177.6 | 0 | 0 | 0 | 111.2 | I410 Y442 S443 D449 K450 V453 F455 | I410-L445 HydrophobicContact CD1-CD2 3.67Å; Y442-L445 HydrophobicContact CD1-CD2 3.71Å; Y442-L445 HydrophobicContact CD1-CG 3.81Å; Y442-L445 HydrophobicContact CE1-CD2 3.76Å; Y442-L445 HydrophobicContact CE1-CG 4.19Å; S443-L445 PolarHBondContact O-N 3.2Å; L445-D449 HydrophobicContact CB-CB 4.25Å; L445-D449 HydrophobicContact CD2-CB 3.95Å; L445-K450 HydrophobicContact CB-CG 3.67Å; L445-K450 HydrophobicContact CD1-CG 4.15Å; L445-K450 WeakPolarHBondContact O-CE 3.36Å; L445-V453 HydrophobicContact CD1-CB 4.29Å; L445-V453 HydrophobicContact CD1-CG1 4.29Å; L445-V453 HydrophobicContact CD2-CB 4.4Å; L445-V453 HydrophobicContact CD2-CG1 4.43Å; L445-V453 HydrophobicContact CD2-CG2 4.3Å; L445-F455 HydrophobicContact CD1-CE2 4.06Å | ||
| 446 | S | 91.8 | Very high | 93.4 | Very high | 46 Ų | 46 | 59.5 Ų | 59.5 | 32% | 0.322 | 30% | 0.296 | S | S | . | . | trans | -65.2 | 166.4 | 167.5 | 77.6 | 0 | 0 | 0 | 0 | 111 | E448 D449 K450 | S446-E448 PolarHBondContact O-N 2.93Å; S446-E448 PolarHBondContact OG-N 3.46Å; S446-D449 VanDerWaalsContact CB-OD2 3.27Å; S446-D449 WeakPolarHBondContact CB-OD2 3.43Å; S446-D449 PolarHBondContact N-OD2 3.22Å; S446-D449 PolarHBondContact O-N 3.25Å; S446-D449 PolarHBondContact OG-N 3.1Å; S446-D449 VanDerWaalsContact OG-N 3.15Å; S446-D449 PolarHBondContact OG-OD2 3.08Å; S446-K450 WeakPolarHBondContact O-CG 3.37Å; S446-K450 PolarHBondContact O-N 3.41Å | ||
| 447 | R | 89.9 | Confident | 93.4 | Very high | 228 Ų | 228 | 59.9 Ų | 59.9 | 86% | 0.86 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -28.1 | 176.5 | -72 | -174.6 | 178 | -161.4 | -0.7 | 113 | ||
| 448 | E | 89.4 | Confident | 93.4 | Very high | 146 Ų | 146 | 59.9 Ų | 59.9 | 68% | 0.682 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -48.2 | 178 | -65.2 | 173.4 | -170.6 | 0 | 0 | 110 | S446 K450 K451 | S446-E448 PolarHBondContact O-N 2.93Å; S446-E448 PolarHBondContact OG-N 3.46Å; E448-K450 VanDerWaalsContact C-N 3.25Å; E448-K450 PolarHBondContact O-N 3.4Å; E448-K451 WeakPolarHBondContact O-CB 3.28Å; E448-K451 PolarHBondContact O-N 3.41Å |
| 449 | D | 93.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.5 | -34.6 | 179.5 | -54.3 | -45.4 | 0 | 0 | 0 | 111.5 | I410 R414 L445 S446 K451 Q452 V453 | I410-D449 HydrophobicContact CG2-CB 4.07Å; R414-D449 IonicContact CZ-OD1 3.64Å; R414-D449 IonicContact CZ-OD2 3.25Å; R414-D449 IonicContact NE-OD1 2.95Å; R414-D449 PolarHBondContact NE-OD1 3.2Å; R414-D449 IonicContact NE-OD2 2.94Å; R414-D449 IonicContact NH2-OD1 3.71Å; R414-D449 PolarHBondContact NH2-OD1 3.44Å; R414-D449 IonicContact NH2-OD2 3.46Å; R414-D449 PolarHBondContact NH2-OD2 3.13Å; L445-D449 HydrophobicContact CB-CB 4.25Å; L445-D449 HydrophobicContact CD2-CB 3.95Å; S446-D449 VanDerWaalsContact CB-OD2 3.27Å; S446-D449 WeakPolarHBondContact CB-OD2 3.43Å; S446-D449 PolarHBondContact N-OD2 3.22Å; S446-D449 PolarHBondContact O-N 3.25Å; S446-D449 PolarHBondContact OG-N 3.1Å; S446-D449 VanDerWaalsContact OG-N 3.15Å; S446-D449 PolarHBondContact OG-OD2 3.08Å; D449-K451 PolarHBondContact O-N 2.79Å; D449-K451 VanDerWaalsContact O-N 3.09Å; D449-Q452 PolarHBondContact O-N 3.16Å; D449-V453 HydrophobicContact CB-CG2 4.4Å; D449-V453 WeakPolarHBondContact O-CB 3.31Å; D449-V453 WeakPolarHBondContact O-CG2 3.39Å; D449-V453 PolarHBondContact O-N 2.88Å |
| 450 | K | 92.4 | Very high | 93.5 | Very high | 134 Ų | 134 | 59 Ų | 59 | 58% | 0.583 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.3 | -20 | 175.5 | -76 | -177.5 | -176.4 | -170.4 | 0 | 114.7 | L445 S446 E448 | L445-K450 HydrophobicContact CB-CG 3.67Å; L445-K450 HydrophobicContact CD1-CG 4.15Å; L445-K450 WeakPolarHBondContact O-CE 3.36Å; S446-K450 WeakPolarHBondContact O-CG 3.37Å; S446-K450 PolarHBondContact O-N 3.41Å; E448-K450 VanDerWaalsContact C-N 3.25Å; E448-K450 PolarHBondContact O-N 3.4Å |
| 451 | K | 89.9 | Confident | 93.5 | Very high | 167 Ų | 167 | 59 Ų | 59 | 73% | 0.726 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -88.3 | -24.7 | 175.1 | -62.2 | -178.6 | -180 | -178.4 | 0 | 112.3 | H419 E448 D449 | H419-K451 PolarHBondContact CD2-O 2.95Å; E448-K451 WeakPolarHBondContact O-CB 3.28Å; E448-K451 PolarHBondContact O-N 3.41Å; D449-K451 PolarHBondContact O-N 2.79Å; D449-K451 VanDerWaalsContact O-N 3.09Å |
| 452 | Q | 91.6 | Very high | 93.9 | Very high | 54 Ų | 54 | 54.2 Ų | 54.2 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -99.4 | -26.3 | -174.8 | -66.7 | -179.1 | -23 | 0 | 0 | 112.4 | H419 L420 D449 | H419-Q452 CarbonylContact C-O 3.45Å; H419-Q452 VanDerWaalsContact CA-O 3.27Å; H419-Q452 WeakPolarHBondContact CA-O 3.44Å; L420-Q452 PolarHBondContact N-O 3.21Å; D449-Q452 PolarHBondContact O-N 3.16Å |
| 453 | V | 96.6 | Very high | 94.1 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 9% | 0.085 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.5 | -174.6 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | I410 L420 F422 L445 D449 F455 | I410-V453 HydrophobicContact CD1-CG1 4.43Å; I410-V453 HydrophobicContact CD1-CG2 4.14Å; I410-V453 HydrophobicContact CG1-CG2 3.91Å; I410-V453 HydrophobicContact CG2-CG2 4.09Å; L420-V453 HydrophobicContact CB-CG2 4.47Å; L420-V453 HydrophobicContact CD1-CG2 4.26Å; F422-V453 HydrophobicContact CD2-CG1 3.93Å; F422-V453 HydrophobicContact CE2-CG1 3.82Å; L445-V453 HydrophobicContact CD1-CB 4.29Å; L445-V453 HydrophobicContact CD1-CG1 4.29Å; L445-V453 HydrophobicContact CD2-CB 4.4Å; L445-V453 HydrophobicContact CD2-CG1 4.43Å; L445-V453 HydrophobicContact CD2-CG2 4.3Å; D449-V453 HydrophobicContact CB-CG2 4.4Å; D449-V453 WeakPolarHBondContact O-CB 3.31Å; D449-V453 WeakPolarHBondContact O-CG2 3.39Å; D449-V453 PolarHBondContact O-N 2.88Å; V453-F455 HydrophobicContact CG1-CD2 4.43Å; V453-F455 HydrophobicContact CG1-CE1 4.21Å; V453-F455 HydrophobicContact CG1-CE2 3.75Å; V453-F455 HydrophobicContact CG1-CZ 3.59Å |
| 454 | Q | 96.7 | Very high | 94.5 | Very high | 50 Ų | 50 | 49 Ų | 49 | 23% | 0.234 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.8 | 174.4 | -169.7 | 172.8 | 2.6 | 0 | 0 | 110.1 | V195 L420 V421 F422 V456 | V195-Q454 VanDerWaalsContact CG2-NE2 3.32Å; L420-Q454 PolarHBondContact O-N 2.98Å; V421-Q454 WeakPolarHBondContact CA-O 3.42Å; F422-Q454 PolarHBondContact N-O 2.84Å; Q454-V456 HydrophobicContact CG-CG1 4.18Å |
| 455 | F | 97.6 | Very high | 94.7 | Very high | 38 Ų | 38 | 45 Ų | 45 | 17% | 0.167 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 133.2 | 170.6 | -58.9 | -73.6 | 0 | 0 | 0 | 108.6 | L406 F422 P439 F440 Y442 L445 V453 | L406-F455 HydrophobicContact CD1-CE1 4.14Å; L406-F455 HydrophobicContact CD2-CE1 3.75Å; L406-F455 HydrophobicContact CD2-CZ 3.78Å; F422-F455 HydrophobicContact CB-CD1 3.61Å; F422-F455 HydrophobicContact CB-CE1 3.89Å; F422-F455 HydrophobicContact CD2-CD1 4.04Å; F422-F455 AromaticContact CD2-CE1 3.61Å; F422-F455 HydrophobicContact CD2-CE1 3.61Å; F422-F455 HydrophobicContact CD2-CZ 4.33Å; F422-F455 HydrophobicContact CE2-CE1 4.37Å; F422-F455 HydrophobicContact CG-CD1 4.09Å; F422-F455 AromaticContact CG-CE1 3.85Å; F422-F455 HydrophobicContact CG-CE1 3.85Å; P439-F455 HydrophobicContact CB-CB 3.91Å; F440-F455 HydrophobicContact CB-CD1 3.81Å; F440-F455 HydrophobicContact CB-CE1 4.31Å; F440-F455 HydrophobicContact CB-CG 4.34Å; F440-F455 HydrophobicContact CD2-CD1 4.2Å; Y442-F455 HydrophobicContact CD1-CZ 4.27Å; Y442-F455 HydrophobicContact CG-CZ 4.27Å; L445-F455 HydrophobicContact CD1-CE2 4.06Å; V453-F455 HydrophobicContact CG1-CD2 4.43Å; V453-F455 HydrophobicContact CG1-CE1 4.21Å; V453-F455 HydrophobicContact CG1-CE2 3.75Å; V453-F455 HydrophobicContact CG1-CZ 3.59Å |
| 456 | V | 97.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | trans | -126.4 | 165.7 | 178.2 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | V195 V421 F422 V423 P424 P439 Q454 C460 | V195-V456 HydrophobicContact CG2-CG1 3.86Å; V421-V456 HydrophobicContact CG1-CG1 4.05Å; V421-V456 HydrophobicContact CG1-CG2 3.8Å; F422-V456 WeakPolarHBondContact O-CG2 3.43Å; F422-V456 PolarHBondContact O-N 2.76Å; F422-V456 VanDerWaalsContact O-N 3.12Å; V423-V456 HydrophobicContact CB-CG2 4.44Å; V423-V456 HydrophobicContact CG2-CG2 3.76Å; P424-V456 WeakPolarHBondContact CD-O 3.46Å; P439-V456 WeakPolarHBondContact CA-O 3.42Å; Q454-V456 HydrophobicContact CG-CG1 4.18Å; V456-C460 HydrophobicContact CB-CB 4.14Å; V456-C460 HydrophobicContact CG2-CB 4.03Å | ||
| 457 | S | 97.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | trans | -72.9 | 170 | 177.2 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | Q437 P459 C460 | Q437-S457 WeakPolarHBondContact O-CA 3.43Å; Q437-S457 VanDerWaalsContact O-CB 3.26Å; Q437-S457 WeakPolarHBondContact O-CB 3.27Å; S457-P459 CarbonylContact C-O 3.57Å; S457-P459 VanDerWaalsContact C-O 3.3Å; S457-P459 WeakPolarHBondContact CB-O 3.41Å; S457-P459 CarbonylContact O-C 3.59Å; S457-P459 PolarHBondContact OG-O 2.89Å; S457-C460 WeakPolarHBondContact O-CB 3.26Å | ||
| 458 | E | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -118.2 | 112.2 | 166.2 | 167.5 | 55.2 | -154.5 | 0 | 0 | 109.2 | V423 P424 Y435 P436 Q437 T472 S473 T474 | V423-E458 HydrophobicContact CG1-CB 4.4Å; V423-E458 WeakPolarHBondContact CG1-OE2 3.49Å; P424-E458 HydrophobicContact CG-CB 3.73Å; Y435-E458 HydrophobicContact CD2-CG 4.29Å; Y435-E458 HydrophobicContact CE2-CG 4.22Å; P436-E458 CarbonylContact C-O 3.58Å; P436-E458 VanDerWaalsContact CA-O 3.23Å; P436-E458 WeakPolarHBondContact CA-O 3.5Å; P436-E458 WeakPolarHBondContact CB-O 3.44Å; Q437-E458 HydrophobicContact CB-CB 4.17Å; Q437-E458 PolarHBondContact N-O 3.4Å; Q437-E458 PolarHBondContact O-N 2.99Å; E458-T472 VanDerWaalsContact OE1-CA 3.3Å; E458-T472 WeakPolarHBondContact OE1-CA 3.32Å; E458-T472 WeakPolarHBondContact OE1-CB 3.33Å; E458-T472 PolarHBondContact OE1-OG1 3.21Å; E458-T472 VanDerWaalsContact OE2-CA 3.24Å; E458-T472 WeakPolarHBondContact OE2-CA 3.45Å; E458-S473 VanDerWaalsContact CD-OG 3.3Å; E458-S473 WeakPolarHBondContact CG-OG 3.37Å; E458-S473 PolarHBondContact OE1-N 3.13Å; E458-S473 PolarHBondContact OE2-N 3.38Å; E458-S473 PolarHBondContact OE2-OG 3.27Å; E458-T474 PolarHBondContact OE1-N 3Å; E458-T474 PolarHBondContact OE1-OG1 3.2Å |
| 459 | P | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | S | Bend | cis | -80.6 | 180 | 0.6 | 39.2 | -35.3 | 0 | 0 | 0 | 111.3 | Y435 S457 L471 Y508 A529 | Y435-P459 HydrophobicContact CE2-CG 4.31Å; Y435-P459 WeakPolarHBondContact OH-CD 3.46Å; Y435-P459 VanDerWaalsContact OH-CG 3.31Å; Y435-P459 WeakPolarHBondContact OH-CG 3.34Å; S457-P459 CarbonylContact C-O 3.57Å; S457-P459 VanDerWaalsContact C-O 3.3Å; S457-P459 WeakPolarHBondContact CB-O 3.41Å; S457-P459 CarbonylContact O-C 3.59Å; S457-P459 PolarHBondContact OG-O 2.89Å; P459-L471 CarbonylContact C-O 3.52Å; P459-L471 VanDerWaalsContact CA-O 3.29Å; P459-L471 WeakPolarHBondContact CA-O 3.35Å; P459-L471 VanDerWaalsContact CB-O 3.24Å; P459-L471 WeakPolarHBondContact CB-O 3.35Å; P459-Y508 HydrophobicContact CB-CD1 3.7Å; P459-Y508 HydrophobicContact CB-CD2 3.78Å; P459-Y508 HydrophobicContact CB-CE1 4.18Å; P459-Y508 HydrophobicContact CB-CE2 4.24Å; P459-Y508 HydrophobicContact CB-CG 3.48Å; P459-Y508 VanDerWaalsContact CB-CG 3.48Å; P459-Y508 HydrophobicContact CG-CD1 4.34Å; P459-Y508 HydrophobicContact CG-CD2 3.55Å; P459-Y508 HydrophobicContact CG-CE2 4.25Å; P459-Y508 HydrophobicContact CG-CG 3.61Å; P459-A529 HydrophobicContact CG-CB 3.95Å |
| 460 | C | 97.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 3% | 0.027 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 139.8 | 176.9 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | V456 S457 L471 Y508 | V456-C460 HydrophobicContact CB-CB 4.14Å; V456-C460 HydrophobicContact CG2-CB 4.03Å; S457-C460 WeakPolarHBondContact O-CB 3.26Å; C460-L471 HydrophobicContact CB-CB 4.3Å; C460-L471 HydrophobicContact CB-CD1 4.35Å; C460-L471 PolarHBondContact N-O 2.87Å; C460-L471 WeakPolarHBondContact O-CB 3.14Å; C460-L471 PolarHBondContact O-N 2.88Å; C460-Y508 PolarHBondContact O-OH 2.97Å |
| 461 | S | 97.8 | Very high | 96.2 | Very high | 9 Ų | 9 | 17.5 Ų | 17.5 | 6% | 0.063 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.3 | 165.3 | -54.8 | 0 | 0 | 0 | 0 | 108.7 | L196 F469 Y508 P532 | L196-S461 PolarHBondContact N-O 3.49Å; S461-F469 CarbonylContact C-O 3.58Å; S461-F469 WeakPolarHBondContact CA-O 3.34Å; S461-Y508 PolarHBondContact OG-OH 3.31Å; S461-P532 WeakPolarHBondContact OG-CD 3.5Å; S461-P532 WeakPolarHBondContact OG-CG 3.33Å |
| 462 | L | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.8 | -173.2 | -179.9 | 69.5 | 0 | 0 | 0 | 110.7 | V195 V421 I464 F469 L471 | V195-L462 HydrophobicContact CG2-CD1 4.15Å; V421-L462 HydrophobicContact CG1-CD2 4.12Å; V421-L462 HydrophobicContact CG2-CD2 4.18Å; L462-I464 HydrophobicContact CD2-CD1 3.96Å; L462-I464 HydrophobicContact CD2-CG1 3.9Å; L462-I464 HydrophobicContact CG-CG1 3.99Å; L462-F469 HydrophobicContact CB-CB 4.45Å; L462-F469 PolarHBondContact N-O 2.71Å; L462-F469 WeakPolarHBondContact O-CB 3.48Å; L462-F469 PolarHBondContact O-N 2.95Å; L462-L471 HydrophobicContact CB-CD1 3.92Å; L462-L471 HydrophobicContact CD2-CD1 4.03Å |
| 463 | S | 96.4 | Very high | 97 | Very high | 6 Ų | 6 | 7.1 Ų | 7.1 | 4% | 0.042 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.8 | 169.5 | 175.1 | 0 | 0 | 0 | 0 | 109.5 | L193 K194 L196 G466 V467 | L193-S463 WeakPolarHBondContact CA-O 3.41Å; K194-S463 PolarHBondContact N-O 3.41Å; K194-S463 PolarHBondContact O-N 2.91Å; L196-S463 VanDerWaalsContact CD1-CB 3.44Å; S463-G466 WeakPolarHBondContact OG-CA 2.94Å; S463-G466 PolarHBondContact OG-N 3.23Å; S463-V467 WeakPolarHBondContact CA-O 3.35Å |
| 464 | I | 95.6 | Very high | 97 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 107.3 | 174 | -52.9 | -177.4 | 0 | 0 | 0 | 107 | L193 V342 V374 I376 L462 G466 V467 F469 L576 | L193-I464 HydrophobicContact CD2-CB 4.21Å; L193-I464 HydrophobicContact CD2-CD1 4.39Å; L193-I464 HydrophobicContact CD2-CG1 3.77Å; L193-I464 HydrophobicContact CD2-CG2 3.98Å; V342-I464 HydrophobicContact CG1-CD1 4.41Å; V342-I464 HydrophobicContact CG2-CD1 4.2Å; V342-I464 HydrophobicContact CG2-CG2 4.36Å; V374-I464 HydrophobicContact CG1-CD1 4.25Å; V374-I464 HydrophobicContact CG2-CG2 3.98Å; I376-I464 HydrophobicContact CD1-CD1 3.98Å; L462-I464 HydrophobicContact CD2-CD1 3.96Å; L462-I464 HydrophobicContact CD2-CG1 3.9Å; L462-I464 HydrophobicContact CG-CG1 3.99Å; I464-G466 PolarHBondContact O-N 2.92Å; I464-V467 PolarHBondContact N-O 3.19Å; I464-V467 WeakPolarHBondContact O-CB 3.27Å; I464-V467 PolarHBondContact O-N 3.15Å; I464-F469 HydrophobicContact CB-CD2 4.23Å; I464-F469 HydrophobicContact CB-CE2 4.11Å; I464-F469 HydrophobicContact CD1-CD2 3.78Å; I464-F469 HydrophobicContact CD1-CE2 3.82Å; I464-F469 HydrophobicContact CD1-CG 4.18Å; I464-F469 HydrophobicContact CD1-CZ 4.23Å; I464-F469 HydrophobicContact CG1-CD2 3.92Å; I464-F469 HydrophobicContact CG1-CE2 4.15Å; I464-L576 HydrophobicContact CG2-CD1 4.32Å |
| 465 | N | 92.9 | Very high | 97 | Very high | 7 Ų | 7 | 5.2 Ų | 5.2 | 4% | 0.037 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 43.6 | -177.2 | -69.4 | -3.4 | 0 | 0 | 0 | 112.6 | S192 F337 S340 V467 | S192-N465 PolarHBondContact N-OD1 3.08Å; S192-N465 PolarHBondContact O-N 3.26Å; F337-N465 HydrophobicContact CB-CB 3.87Å; F337-N465 HydrophobicContact CD1-CB 3.89Å; F337-N465 HydrophobicContact CD2-CB 3.88Å; F337-N465 WeakPolarHBondContact CD2-O 3.46Å; F337-N465 HydrophobicContact CE1-CB 4.42Å; F337-N465 HydrophobicContact CE2-CB 4.41Å; F337-N465 HydrophobicContact CG-CB 3.61Å; S340-N465 PolarHBondContact OG-ND2 3.46Å; N465-V467 PolarHBondContact O-N 2.98Å |
| 466 | G | 91.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.021 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 0.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D334 S463 I464 R578 | D334-G466 VanDerWaalsContact OD1-CA 3.28Å; D334-G466 WeakPolarHBondContact OD1-CA 3.46Å; S463-G466 WeakPolarHBondContact OG-CA 2.94Å; S463-G466 PolarHBondContact OG-N 3.23Å; I464-G466 PolarHBondContact O-N 2.92Å; G466-R578 PolarHBondContact O-NH2 3.4Å |
| 467 | V | 95.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 3.3 Ų | 3.3 | 2% | 0.024 | 2% | 0.021 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.4 | 175.5 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | S463 I464 N465 F469 D536 V537 L576 P589 | S463-V467 WeakPolarHBondContact CA-O 3.35Å; I464-V467 PolarHBondContact N-O 3.19Å; I464-V467 WeakPolarHBondContact O-CB 3.27Å; I464-V467 PolarHBondContact O-N 3.15Å; N465-V467 PolarHBondContact O-N 2.98Å; V467-F469 HydrophobicContact CB-CE2 4.21Å; V467-F469 HydrophobicContact CG1-CD2 4.27Å; V467-F469 HydrophobicContact CG1-CE2 3.81Å; V467-D536 HydrophobicContact CG1-CB 3.77Å; V467-V537 HydrophobicContact CG1-CG2 4.41Å; V467-L576 HydrophobicContact CB-CD1 4.34Å; V467-L576 HydrophobicContact CG1-CD1 4.48Å; V467-L576 HydrophobicContact CG1-CD2 4.39Å; V467-L576 HydrophobicContact CG2-CD1 4.42Å; V467-P589 HydrophobicContact CB-CG 4.41Å; V467-P589 HydrophobicContact CG1-CB 4.21Å; V467-P589 HydrophobicContact CG1-CG 3.7Å; V467-P589 HydrophobicContact CG2-CB 3.68Å; V467-P589 HydrophobicContact CG2-CG 4.03Å |
| 468 | I | 97.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 7.5 Ų | 7.5 | 1% | 0.01 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 118.2 | -174.6 | -50.2 | -51.3 | 0 | 0 | 0 | 111.2 | L196 Y328 V533 P535 D536 V537 | L196-I468 HydrophobicContact CD1-CD1 4.13Å; L196-I468 HydrophobicContact CD2-CD1 3.9Å; Y328-I468 VanDerWaalsContact CB-CG1 3.43Å; Y328-I468 HydrophobicContact CD1-CD1 3.94Å; Y328-I468 HydrophobicContact CD1-CG1 4Å; Y328-I468 HydrophobicContact CD2-CD1 4.37Å; Y328-I468 HydrophobicContact CE1-CD1 4.45Å; Y328-I468 HydrophobicContact CG-CD1 3.89Å; Y328-I468 HydrophobicContact CG-CG1 3.75Å; I468-V533 HydrophobicContact CG1-CG2 4.41Å; I468-V533 HydrophobicContact CG2-CG2 3.95Å; I468-P535 HydrophobicContact CG2-CB 4.38Å; I468-D536 PolarHBondContact N-OD2 3.48Å; I468-D536 PolarHBondContact O-N 2.81Å; I468-V537 PolarHBondContact O-N 2.82Å |
| 469 | F | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 128.2 | 172.2 | -76.9 | -108.1 | 0 | 0 | 0 | 110.5 | V342 I376 S461 L462 I464 V467 L471 V537 I539 L574 L576 | V342-F469 HydrophobicContact CG2-CZ 4.28Å; I376-F469 HydrophobicContact CD1-CD1 4.23Å; S461-F469 CarbonylContact C-O 3.58Å; S461-F469 WeakPolarHBondContact CA-O 3.34Å; L462-F469 HydrophobicContact CB-CB 4.45Å; L462-F469 PolarHBondContact N-O 2.71Å; L462-F469 WeakPolarHBondContact O-CB 3.48Å; L462-F469 PolarHBondContact O-N 2.95Å; I464-F469 HydrophobicContact CB-CD2 4.23Å; I464-F469 HydrophobicContact CB-CE2 4.11Å; I464-F469 HydrophobicContact CD1-CD2 3.78Å; I464-F469 HydrophobicContact CD1-CE2 3.82Å; I464-F469 HydrophobicContact CD1-CG 4.18Å; I464-F469 HydrophobicContact CD1-CZ 4.23Å; I464-F469 HydrophobicContact CG1-CD2 3.92Å; I464-F469 HydrophobicContact CG1-CE2 4.15Å; V467-F469 HydrophobicContact CB-CE2 4.21Å; V467-F469 HydrophobicContact CG1-CD2 4.27Å; V467-F469 HydrophobicContact CG1-CE2 3.81Å; F469-L471 HydrophobicContact CB-CD2 3.87Å; F469-L471 HydrophobicContact CB-CG 4.33Å; F469-L471 HydrophobicContact CD1-CD2 4.3Å; F469-V537 CarbonylContact C-O 3.55Å; F469-V537 VanDerWaalsContact CA-O 3.25Å; F469-V537 WeakPolarHBondContact CA-O 3.32Å; F469-V537 HydrophobicContact CD1-CB 3.84Å; F469-V537 HydrophobicContact CD1-CG1 3.87Å; F469-V537 HydrophobicContact CE1-CB 3.78Å; F469-V537 HydrophobicContact CE1-CG1 3.63Å; F469-V537 HydrophobicContact CE1-CG2 4.17Å; F469-V537 HydrophobicContact CE2-CB 4.48Å; F469-V537 HydrophobicContact CE2-CG2 4.38Å; F469-V537 HydrophobicContact CG-CB 4.25Å; F469-V537 HydrophobicContact CZ-CB 4.11Å; F469-V537 HydrophobicContact CZ-CG1 4.31Å; F469-V537 HydrophobicContact CZ-CG2 4.03Å; F469-I539 HydrophobicContact CD1-CD1 4.36Å; F469-I539 HydrophobicContact CD1-CG1 3.98Å; F469-I539 HydrophobicContact CE1-CD1 4.37Å; F469-I539 HydrophobicContact CE1-CG1 4.44Å; F469-L574 HydrophobicContact CE1-CD2 4.26Å; F469-L576 HydrophobicContact CE2-CD1 3.58Å; F469-L576 HydrophobicContact CE2-CD2 4.3Å; F469-L576 HydrophobicContact CZ-CD1 3.68Å; F469-L576 HydrophobicContact CZ-CD2 3.91Å; F469-L576 HydrophobicContact CZ-CG 4.32Å |
| 470 | G | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110 | Y508 V537 I539 | G470-Y508 WeakPolarHBondContact CA-OH 3.39Å; G470-V537 PolarHBondContact N-O 3.1Å; G470-I539 PolarHBondContact O-N 3.39Å |
| 471 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.9 | -174.5 | -50.4 | 178.3 | 0 | 0 | 0 | 109.4 | I376 F378 V423 P459 C460 L462 F469 I539 | I376-L471 HydrophobicContact CD1-CD2 3.94Å; I376-L471 HydrophobicContact CG2-CD1 4.19Å; I376-L471 HydrophobicContact CG2-CD2 4.34Å; F378-L471 HydrophobicContact CE1-CB 4.02Å; F378-L471 HydrophobicContact CZ-CB 3.96Å; F378-L471 HydrophobicContact CZ-CD2 3.9Å; F378-L471 HydrophobicContact CZ-CG 4.44Å; V423-L471 HydrophobicContact CG2-CD1 4.23Å; P459-L471 CarbonylContact C-O 3.52Å; P459-L471 VanDerWaalsContact CA-O 3.29Å; P459-L471 WeakPolarHBondContact CA-O 3.35Å; P459-L471 VanDerWaalsContact CB-O 3.24Å; P459-L471 WeakPolarHBondContact CB-O 3.35Å; C460-L471 HydrophobicContact CB-CB 4.3Å; C460-L471 HydrophobicContact CB-CD1 4.35Å; C460-L471 PolarHBondContact N-O 2.87Å; C460-L471 WeakPolarHBondContact O-CB 3.14Å; C460-L471 PolarHBondContact O-N 2.88Å; L462-L471 HydrophobicContact CB-CD1 3.92Å; L462-L471 HydrophobicContact CD2-CD1 4.03Å; F469-L471 HydrophobicContact CB-CD2 3.87Å; F469-L471 HydrophobicContact CB-CG 4.33Å; F469-L471 HydrophobicContact CD1-CD2 4.3Å; L471-I539 HydrophobicContact CD2-CB 4.04Å; L471-I539 HydrophobicContact CD2-CG1 3.86Å |
| 472 | T | 98.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 9.4 Ų | 9.4 | 1% | 0.012 | 5% | 0.052 | C | C | . | . | trans | -143.2 | 139.4 | 167.8 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | F378 E458 T474 Y508 I539 I540 P541 | F378-T472 WeakPolarHBondContact CE1-O 3.44Å; E458-T472 VanDerWaalsContact OE1-CA 3.3Å; E458-T472 WeakPolarHBondContact OE1-CA 3.32Å; E458-T472 WeakPolarHBondContact OE1-CB 3.33Å; E458-T472 PolarHBondContact OE1-OG1 3.21Å; E458-T472 VanDerWaalsContact OE2-CA 3.24Å; E458-T472 WeakPolarHBondContact OE2-CA 3.45Å; T472-T474 PolarHBondContact OG1-N 3.45Å; T472-Y508 HydrophobicContact CG2-CD1 4.42Å; T472-I539 PolarHBondContact N-O 3.06Å; T472-I540 HydrophobicContact CG2-CB 4.35Å; T472-I540 HydrophobicContact CG2-CD1 4.4Å; T472-I540 HydrophobicContact CG2-CG1 4.14Å; T472-P541 WeakPolarHBondContact O-CD 3.35Å | ||
| 473 | S | 98.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.007 | 7% | 0.065 | C | C | . | . | trans | -95.7 | -18.8 | 175.4 | 76.7 | 0 | 0 | 0 | 0 | 112.7 | P424 S425 E458 | P424-S473 VanDerWaalsContact O-CB 3.25Å; P424-S473 WeakPolarHBondContact O-CB 3.44Å; P424-S473 PolarHBondContact O-OG 3.16Å; S425-S473 VanDerWaalsContact CA-OG 3.31Å; S425-S473 WeakPolarHBondContact CA-OG 3.5Å; E458-S473 VanDerWaalsContact CD-OG 3.3Å; E458-S473 WeakPolarHBondContact CG-OG 3.37Å; E458-S473 PolarHBondContact OE1-N 3.13Å; E458-S473 PolarHBondContact OE2-N 3.38Å; E458-S473 PolarHBondContact OE2-OG 3.27Å | ||
| 474 | T | 97.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 12.7 Ų | 12.7 | 5% | 0.049 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -63.5 | 139 | 175.4 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | E458 T472 L476 Y509 M518 | E458-T474 PolarHBondContact OE1-N 3Å; E458-T474 PolarHBondContact OE1-OG1 3.2Å; T472-T474 PolarHBondContact OG1-N 3.45Å; T474-L476 PolarHBondContact O-N 3.16Å; T474-Y509 HydrophobicContact CG2-CD2 3.96Å; T474-Y509 HydrophobicContact CG2-CE2 3.92Å; T474-M518 HydrophobicContact CG2-CE 3.69Å; T474-M518 HydrophobicContact CG2-SD 3.65Å |
| 475 | D | 96.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 13.6 Ų | 13.6 | 9% | 0.091 | 7% | 0.071 | C | C | . | . | trans | -80.6 | 52.1 | -177.7 | -149.8 | -35.7 | 0 | 0 | 0 | 113 | L477 F478 H479 S542 E543 R561 | D475-L477 PolarHBondContact O-N 2.98Å; D475-L477 VanDerWaalsContact O-N 3.15Å; D475-F478 HydrophobicContact CB-CB 4.29Å; D475-F478 PolarHBondContact O-N 3Å; D475-F478 WeakPolarHBondContact OD1-CB 3.42Å; D475-F478 PolarHBondContact OD1-N 3.11Å; D475-H479 PolarHBondContact O-CD2 3.46Å; D475-H479 PolarHBondContact O-N 3.27Å; D475-S542 WeakPolarHBondContact OD1-CA 3.36Å; D475-S542 WeakPolarHBondContact OD1-CB 3.47Å; D475-S542 PolarHBondContact OD1-OG 3.29Å; D475-S542 VanDerWaalsContact OD2-CA 3.29Å; D475-S542 WeakPolarHBondContact OD2-CA 3.44Å; D475-S542 PolarHBondContact OD2-OG 3.31Å; D475-E543 PolarHBondContact OD2-N 3.26Å; D475-R561 IonicContact OD2-NH2 3.2Å; D475-R561 PolarHBondContact OD2-NH2 2.94Å; D475-R561 VanDerWaalsContact OD2-NH2 3.08Å | ||
| 476 | L | 96.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.3 | -33.6 | -175.6 | 173.6 | 65.8 | 0 | 0 | 0 | 112.8 | T474 F478 H479 L480 I502 Y508 Y509 I540 | T474-L476 PolarHBondContact O-N 3.16Å; L476-F478 VanDerWaalsContact C-N 3.34Å; L476-F478 PolarHBondContact O-N 3.41Å; L476-H479 PolarHBondContact O-N 3.1Å; L476-L480 HydrophobicContact CD1-CD1 3.65Å; L476-L480 HydrophobicContact CD1-CG 3.68Å; L476-L480 HydrophobicContact CD2-CD1 4.34Å; L476-L480 HydrophobicContact CG-CD1 3.86Å; L476-L480 HydrophobicContact CG-CG 4.29Å; L476-L480 WeakPolarHBondContact O-CB 3.15Å; L476-L480 PolarHBondContact O-N 2.65Å; L476-I502 HydrophobicContact CD2-CD1 3.53Å; L476-I502 HydrophobicContact CD2-CG1 3.63Å; L476-I502 HydrophobicContact CD2-CG2 4.23Å; L476-I502 HydrophobicContact CG-CD1 4.02Å; L476-I502 HydrophobicContact CG-CG1 4.34Å; L476-Y508 VanDerWaalsContact CD2-O 3.25Å; L476-Y508 WeakPolarHBondContact CD2-O 3.45Å; L476-Y509 HydrophobicContact CB-CD2 4.31Å; L476-Y509 HydrophobicContact CD1-CD2 3.5Å; L476-Y509 VanDerWaalsContact CD1-CD2 3.5Å; L476-Y509 HydrophobicContact CD1-CE2 3.66Å; L476-Y509 HydrophobicContact CD1-CG 4.11Å; L476-Y509 HydrophobicContact CG-CD2 4.4Å; L476-I540 HydrophobicContact CB-CD1 4.15Å; L476-I540 HydrophobicContact CD2-CD1 4.27Å |
| 477 | L | 95.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 176.3 | -76.6 | 171 | 0 | 0 | 0 | 112.2 | D475 G481 I498 L499 I502 I540 L544 F547 N558 | D475-L477 PolarHBondContact O-N 2.98Å; D475-L477 VanDerWaalsContact O-N 3.15Å; L477-G481 WeakPolarHBondContact O-CA 3.37Å; L477-G481 PolarHBondContact O-N 2.87Å; L477-I498 HydrophobicContact CD2-CB 4.33Å; L477-I498 HydrophobicContact CD2-CG2 3.79Å; L477-L499 HydrophobicContact CD2-CD2 3.91Å; L477-L499 HydrophobicContact CD2-CG 4.12Å; L477-I502 HydrophobicContact CD2-CD1 4.44Å; L477-I540 HydrophobicContact CD1-CB 4.42Å; L477-I540 HydrophobicContact CD1-CD1 4.21Å; L477-I540 HydrophobicContact CD1-CG1 3.9Å; L477-I540 HydrophobicContact CD1-CG2 3.84Å; L477-I540 HydrophobicContact CD2-CD1 4.25Å; L477-I540 HydrophobicContact CG-CD1 3.66Å; L477-I540 HydrophobicContact CG-CG1 3.83Å; L477-I540 HydrophobicContact CG-CG2 4.43Å; L477-L544 HydrophobicContact CB-CD1 4.05Å; L477-F547 HydrophobicContact CD1-CE1 3.75Å; L477-F547 HydrophobicContact CD1-CZ 3.56Å; L477-F547 HydrophobicContact CD2-CZ 4.48Å; L477-N558 HydrophobicContact CD1-CB 4.45Å |
| 478 | F | 96.3 | Very high | 95.6 | Very high | 95 Ų | 95 | 19.6 Ų | 19.6 | 42% | 0.417 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -68.7 | -44.3 | 176.8 | -176.1 | -106.1 | 0 | 0 | 0 | 110.7 | D475 L476 G481 A482 L544 | D475-F478 HydrophobicContact CB-CB 4.29Å; D475-F478 PolarHBondContact O-N 3Å; D475-F478 WeakPolarHBondContact OD1-CB 3.42Å; D475-F478 PolarHBondContact OD1-N 3.11Å; L476-F478 VanDerWaalsContact C-N 3.34Å; L476-F478 PolarHBondContact O-N 3.41Å; F478-G481 PolarHBondContact O-N 3.07Å; F478-A482 PolarHBondContact O-N 3.1Å; F478-L544 HydrophobicContact CB-CD1 4.46Å; F478-L544 HydrophobicContact CD2-CD2 4.13Å; F478-L544 HydrophobicContact CD2-CG 4.3Å |
| 479 | H | 97.1 | Very high | 93.8 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 7% | 0.069 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -55.8 | -178.4 | -59.8 | -165.2 | 0 | 0 | 0 | 111.2 | D475 L476 G481 A482 E483 Y509 L511 Q515 | D475-H479 PolarHBondContact O-CD2 3.46Å; D475-H479 PolarHBondContact O-N 3.27Å; L476-H479 PolarHBondContact O-N 3.1Å; H479-G481 VanDerWaalsContact C-N 3.3Å; H479-G481 PolarHBondContact O-N 3.35Å; H479-A482 WeakPolarHBondContact O-CB 3.46Å; H479-A482 PolarHBondContact O-N 2.99Å; H479-E483 PolarHBondContact O-N 2.97Å; H479-Y509 HydrophobicContact CB-CE2 4.44Å; H479-Y509 AromaticContact ND1-CE2 3.44Å; H479-Y509 WeakPolarHBondContact ND1-CE2 3.48Å; H479-Y509 AromaticContact ND1-CZ 3.62Å; H479-Y509 PolarHBondContact ND1-OH 3.46Å; H479-L511 HydrophobicContact CB-CD2 3.79Å; H479-Q515 PolarHBondContact CD2-OE1 3.47Å; H479-Q515 PolarHBondContact NE2-OE1 3.42Å |
| 480 | L | 96.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.1 | -39.4 | 176.7 | -82.6 | 174.4 | 0 | 0 | 0 | 111.7 | F297 L476 A482 E483 E484 I498 I502 P510 L511 | F297-L480 HydrophobicContact CB-CD2 4.22Å; F297-L480 HydrophobicContact CD1-CD2 4.16Å; F297-L480 HydrophobicContact CD2-CD2 3.16Å; F297-L480 HydrophobicContact CE1-CD2 4.37Å; F297-L480 HydrophobicContact CE2-CD2 3.45Å; F297-L480 VanDerWaalsContact CE2-CD2 3.45Å; F297-L480 HydrophobicContact CG-CD2 3.57Å; F297-L480 HydrophobicContact CZ-CD2 4.05Å; L476-L480 HydrophobicContact CD1-CD1 3.65Å; L476-L480 HydrophobicContact CD1-CG 3.68Å; L476-L480 HydrophobicContact CD2-CD1 4.34Å; L476-L480 HydrophobicContact CG-CD1 3.86Å; L476-L480 HydrophobicContact CG-CG 4.29Å; L476-L480 WeakPolarHBondContact O-CB 3.15Å; L476-L480 PolarHBondContact O-N 2.65Å; L480-A482 VanDerWaalsContact C-N 3.27Å; L480-A482 PolarHBondContact O-N 3.49Å; L480-E483 PolarHBondContact O-N 3.3Å; L480-E484 WeakPolarHBondContact O-CB 3.35Å; L480-E484 PolarHBondContact O-N 3.08Å; L480-I498 HydrophobicContact CB-CG2 3.65Å; L480-I498 HydrophobicContact CD1-CG2 3.79Å; L480-I498 HydrophobicContact CG-CG2 4.38Å; L480-I502 HydrophobicContact CD1-CD1 4.23Å; L480-I502 HydrophobicContact CD1-CG1 3.76Å; L480-P510 HydrophobicContact CD1-CG 4.15Å; L480-L511 HydrophobicContact CD2-CB 3.74Å; L480-L511 HydrophobicContact CD2-CD1 4.21Å; L480-L511 HydrophobicContact CD2-CG 4.43Å; L480-L511 HydrophobicContact CG-CB 4.26Å |
| 481 | G | 95.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L477 F478 H479 E483 R494 | L477-G481 WeakPolarHBondContact O-CA 3.37Å; L477-G481 PolarHBondContact O-N 2.87Å; F478-G481 PolarHBondContact O-N 3.07Å; H479-G481 VanDerWaalsContact C-N 3.3Å; H479-G481 PolarHBondContact O-N 3.35Å; G481-E483 PolarHBondContact O-N 3.46Å; G481-R494 PolarHBondContact O-NH2 3.49Å |
| 482 | A | 94.9 | Very high | 89.6 | Confident | 35 Ų | 35 | 37.2 Ų | 37.2 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.4 | -33.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K264 F478 H479 L480 | K264-A482 WeakPolarHBondContact CE-O 3.26Å; K264-A482 PolarHBondContact NZ-O 3.33Å; F478-A482 PolarHBondContact O-N 3.1Å; H479-A482 WeakPolarHBondContact O-CB 3.46Å; H479-A482 PolarHBondContact O-N 2.99Å; L480-A482 VanDerWaalsContact C-N 3.27Å; L480-A482 PolarHBondContact O-N 3.49Å |
| 483 | E | 95.9 | Very high | 89.1 | Confident | 60 Ų | 60 | 40 Ų | 40 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -104.4 | -10.9 | -173 | -64.5 | -64.6 | 165.3 | 0 | 0 | 114.9 | P298 H479 L480 G481 L511 | P298-E483 HydrophobicContact CG-CB 4.2Å; H479-E483 PolarHBondContact O-N 2.97Å; L480-E483 PolarHBondContact O-N 3.3Å; G481-E483 PolarHBondContact O-N 3.46Å; E483-L511 HydrophobicContact CB-CD1 4.05Å; E483-L511 HydrophobicContact CG-CD1 4.19Å; E483-L511 HydrophobicContact CG-CD2 4.47Å |
| 484 | E | 96.1 | Very high | 88.9 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | trans | -69.5 | 135.4 | 179.9 | -171.3 | -121.8 | -175.8 | 0 | 0 | 112.3 | S295 L296 F297 L480 R497 | S295-E484 PolarHBondContact OG-OE1 3.19Å; L296-E484 WeakPolarHBondContact O-CA 3.48Å; F297-E484 HydrophobicContact CB-CB 4.49Å; L480-E484 WeakPolarHBondContact O-CB 3.35Å; L480-E484 PolarHBondContact O-N 3.08Å; E484-R497 VanDerWaalsContact CD-NH2 3.26Å; E484-R497 IonicContact OE1-CZ 2.88Å; E484-R497 IonicContact OE1-NE 2.65Å; E484-R497 PolarHBondContact OE1-NE 3.26Å; E484-R497 IonicContact OE1-NH2 3.73Å; E484-R497 PolarHBondContact OE1-NH2 3.5Å; E484-R497 IonicContact OE2-CZ 3.62Å; E484-R497 IonicContact OE2-NE 2.62Å; E484-R497 IonicContact OE2-NH2 3.9Å; E484-R497 PolarHBondContact OE2-NH2 2.97Å | ||
| 485 | I | 95.9 | Very high | 88.8 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 9% | 0.092 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 151.8 | 165.8 | 64.3 | 168.4 | 0 | 0 | 0 | 110.1 | L265 V270 L288 Y294 S295 L296 | L265-I485 HydrophobicContact CB-CG2 4.32Å; L265-I485 HydrophobicContact CD2-CD1 4.12Å; L265-I485 HydrophobicContact CD2-CG1 4.03Å; L265-I485 HydrophobicContact CD2-CG2 4.46Å; L265-I485 HydrophobicContact CG-CD1 4.19Å; L265-I485 HydrophobicContact CG-CG1 4.43Å; L265-I485 HydrophobicContact CG-CG2 4.23Å; L265-I485 WeakPolarHBondContact O-CG2 3.15Å; V270-I485 HydrophobicContact CG2-CD1 3.65Å; L288-I485 HydrophobicContact CD1-CD1 4.2Å; Y294-I485 HydrophobicContact CE2-CD1 3.97Å; Y294-I485 HydrophobicContact CE2-CG1 4.08Å; S295-I485 CarbonylContact C-O 3.18Å; S295-I485 WeakPolarHBondContact CA-O 3.37Å; L296-I485 HydrophobicContact CB-CD1 4.24Å; L296-I485 HydrophobicContact CB-CG1 3.85Å; L296-I485 PolarHBondContact N-O 3.37Å; L296-I485 PolarHBondContact O-N 3.39Å |
| 486 | S | 94.1 | Very high | 88.7 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 32% | 0.315 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 149.1 | 178.2 | 68.2 | 0 | 0 | 0 | 0 | 113.3 | Y294 R497 | Y294-S486 CarbonylContact O-C 3.55Å; Y294-S486 WeakPolarHBondContact O-CA 3.31Å; Y294-S486 WeakPolarHBondContact O-CB 3.21Å; S486-R497 PolarHBondContact OG-NH1 3Å; S486-R497 PolarHBondContact OG-NH2 3.37Å |
| 487 | S | 90.4 | Very high | 88.7 | Confident | 44 Ų | 44 | 50 Ų | 50 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.2 | 159.1 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | K292 E293 Y294 | K292-S487 PolarHBondContact O-OG 3.15Å; E293-S487 WeakPolarHBondContact CA-O 3.5Å; Y294-S487 PolarHBondContact N-O 3.34Å; Y294-S487 PolarHBondContact O-N 2.91Å |
| 488 | S | 80 | Confident | 88.8 | Confident | 48 Ų | 48 | 50 Ų | 50 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | trans | -143.6 | 134.3 | 176.8 | 41.3 | 0 | 0 | 0 | 0 | 109.5 | G490 S492 R497 | S488-G490 PolarHBondContact O-N 2.93Å; S488-S492 WeakPolarHBondContact OG-CB 3.2Å; S488-R497 PolarHBondContact OG-NH1 3.46Å | ||
| 489 | S | 59.6 | Low | 88.9 | Confident | 111 Ų | 111 | 45.5 Ų | 45.5 | 78% | 0.776 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -77.1 | 0.9 | -174.7 | 61 | 0 | 0 | 0 | 0 | 114.6 | E293 | E293-S489 WeakPolarHBondContact OE1-CB 3.35Å; E293-S489 PolarHBondContact OE1-N 3Å; E293-S489 PolarHBondContact OE1-OG 3.39Å |
| 490 | G | 65.4 | Low | 88.9 | Confident | 54 Ų | 54 | 47.9 Ų | 47.9 | 56% | 0.557 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -152.4 | -164 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | S488 S492 | S488-G490 PolarHBondContact O-N 2.93Å; G490-S492 VanDerWaalsContact C-N 3.34Å; G490-S492 PolarHBondContact O-N 3.34Å |
| 491 | T | 63.6 | Low | 89 | Confident | 155 Ų | 155 | 48.4 Ų | 48.4 | 95% | 0.951 | 29% | 0.29 | S | S | * | . | trans | -71.6 | 83.6 | 177.9 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 492 | S | 77.8 | Confident | 89.2 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | trans | -83.6 | 126.4 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 111 | S488 G490 R494 R497 | S488-S492 WeakPolarHBondContact OG-CB 3.2Å; G490-S492 VanDerWaalsContact C-N 3.34Å; G490-S492 PolarHBondContact O-N 3.34Å; S492-R494 PolarHBondContact O-N 3.23Å; S492-R497 WeakPolarHBondContact OG-CD 3.43Å; S492-R497 PolarHBondContact OG-NH1 3.36Å | ||
| 493 | D | 89.6 | Confident | 89.3 | Confident | 61 Ų | 61 | 46.8 Ų | 46.8 | 33% | 0.326 | 28% | 0.275 | S | S | . | . | trans | -77.1 | 109.4 | 172.2 | 176.3 | 39.5 | 0 | 0 | 0 | 110.9 | F495 S496 R497 K549 | D493-F495 VanDerWaalsContact C-N 3.28Å; D493-F495 PolarHBondContact O-N 3.24Å; D493-F495 PolarHBondContact OD1-N 2.91Å; D493-S496 PolarHBondContact O-N 3.15Å; D493-S496 VanDerWaalsContact OD2-CB 3.28Å; D493-S496 WeakPolarHBondContact OD2-CB 3.49Å; D493-S496 PolarHBondContact OD2-N 3.39Å; D493-S496 PolarHBondContact OD2-OG 2.9Å; D493-R497 PolarHBondContact O-N 3.35Å; D493-R497 VanDerWaalsContact O-N 3.13Å; D493-K549 VanDerWaalsContact CG-NZ 3.35Å; D493-K549 IonicContact OD1-NZ 3.32Å; D493-K549 WeakPolarHBondContact OD2-CD 3.18Å; D493-K549 WeakPolarHBondContact OD2-CE 3.21Å; D493-K549 IonicContact OD2-NZ 3.62Å; D493-K549 PolarHBondContact OD2-NZ 3.45Å | ||
| 494 | R | 92.7 | Very high | 89.4 | Confident | 117 Ų | 117 | 44 Ų | 44 | 44% | 0.442 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -54.8 | -41.7 | -178.7 | -178.3 | 178.6 | 177.8 | -162.5 | 1.8 | 112.3 | G481 S492 R497 I498 | G481-R494 PolarHBondContact O-NH2 3.49Å; S492-R494 PolarHBondContact O-N 3.23Å; R494-R497 PolarHBondContact O-N 3.21Å; R494-I498 HydrophobicContact CG-CD1 3.88Å; R494-I498 WeakPolarHBondContact O-CG1 3.49Å; R494-I498 PolarHBondContact O-N 3.03Å |
| 495 | F | 94.6 | Very high | 89.6 | Confident | 44 Ų | 44 | 43.8 Ų | 43.8 | 19% | 0.193 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.6 | -43.5 | -178.1 | -63.4 | -22.4 | 0 | 0 | 0 | 112 | D493 R497 I498 L499 L544 F547 K549 | D493-F495 VanDerWaalsContact C-N 3.28Å; D493-F495 PolarHBondContact O-N 3.24Å; D493-F495 PolarHBondContact OD1-N 2.91Å; F495-R497 VanDerWaalsContact C-N 3.26Å; F495-R497 PolarHBondContact O-N 3.35Å; F495-I498 PolarHBondContact O-N 3.28Å; F495-L499 WeakPolarHBondContact O-CB 3.28Å; F495-L499 WeakPolarHBondContact O-CD1 3.38Å; F495-L499 VanDerWaalsContact O-CG 3.23Å; F495-L499 WeakPolarHBondContact O-CG 3.45Å; F495-L499 PolarHBondContact O-N 3.18Å; F495-L544 HydrophobicContact CE1-CD1 3.74Å; F495-L544 HydrophobicContact CZ-CB 4.29Å; F495-L544 HydrophobicContact CZ-CD1 4.07Å; F495-F547 HydrophobicContact CB-CE1 4.3Å; F495-F547 HydrophobicContact CB-CZ 4.44Å; F495-F547 AromaticContact CD2-CD1 3.68Å; F495-F547 HydrophobicContact CD2-CD1 3.68Å; F495-F547 AromaticContact CD2-CE1 3.77Å; F495-F547 HydrophobicContact CD2-CE1 3.77Å; F495-F547 HydrophobicContact CD2-CG 4.5Å; F495-F547 HydrophobicContact CE2-CD1 4.07Å; F495-F547 HydrophobicContact CE2-CE1 4.28Å; F495-F547 HydrophobicContact CG-CD1 4.43Å; F495-F547 HydrophobicContact CG-CE1 4.08Å; F495-K549 HydrophobicContact CB-CD 4.2Å |
| 496 | S | 95.8 | Very high | 89.6 | Confident | 37 Ų | 37 | 44.2 Ų | 44.2 | 26% | 0.259 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.8 | -36.9 | 172.5 | -77.8 | 0 | 0 | 0 | 0 | 112.8 | D493 K500 | D493-S496 PolarHBondContact O-N 3.15Å; D493-S496 VanDerWaalsContact OD2-CB 3.28Å; D493-S496 WeakPolarHBondContact OD2-CB 3.49Å; D493-S496 PolarHBondContact OD2-N 3.39Å; D493-S496 PolarHBondContact OD2-OG 2.9Å; S496-K500 VanDerWaalsContact O-CB 3.3Å; S496-K500 WeakPolarHBondContact O-CB 3.42Å; S496-K500 PolarHBondContact O-N 2.97Å |
| 497 | R | 95.6 | Very high | 89.8 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 14% | 0.143 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.5 | -46.7 | 174.7 | -68.7 | -165 | -52.5 | -148.6 | 8.8 | 113 | E484 S486 S488 S492 D493 R494 F495 L499 K500 H501 | E484-R497 VanDerWaalsContact CD-NH2 3.26Å; E484-R497 IonicContact OE1-CZ 2.88Å; E484-R497 IonicContact OE1-NE 2.65Å; E484-R497 PolarHBondContact OE1-NE 3.26Å; E484-R497 IonicContact OE1-NH2 3.73Å; E484-R497 PolarHBondContact OE1-NH2 3.5Å; E484-R497 IonicContact OE2-CZ 3.62Å; E484-R497 IonicContact OE2-NE 2.62Å; E484-R497 IonicContact OE2-NH2 3.9Å; E484-R497 PolarHBondContact OE2-NH2 2.97Å; S486-R497 PolarHBondContact OG-NH1 3Å; S486-R497 PolarHBondContact OG-NH2 3.37Å; S488-R497 PolarHBondContact OG-NH1 3.46Å; S492-R497 WeakPolarHBondContact OG-CD 3.43Å; S492-R497 PolarHBondContact OG-NH1 3.36Å; D493-R497 PolarHBondContact O-N 3.35Å; D493-R497 VanDerWaalsContact O-N 3.13Å; R494-R497 PolarHBondContact O-N 3.21Å; F495-R497 VanDerWaalsContact C-N 3.26Å; F495-R497 PolarHBondContact O-N 3.35Å; R497-L499 VanDerWaalsContact C-N 3.33Å; R497-L499 PolarHBondContact O-N 3Å; R497-K500 WeakPolarHBondContact O-CB 3.23Å; R497-K500 PolarHBondContact O-N 3.09Å; R497-H501 PolarHBondContact O-CD2 3.49Å; R497-H501 PolarHBondContact O-N 2.72Å |
| 498 | I | 97.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -44 | 178.6 | -64.4 | 162.5 | 0 | 0 | 0 | 110.2 | L477 L480 R494 F495 K500 H501 I502 | L477-I498 HydrophobicContact CD2-CB 4.33Å; L477-I498 HydrophobicContact CD2-CG2 3.79Å; L480-I498 HydrophobicContact CB-CG2 3.65Å; L480-I498 HydrophobicContact CD1-CG2 3.79Å; L480-I498 HydrophobicContact CG-CG2 4.38Å; R494-I498 HydrophobicContact CG-CD1 3.88Å; R494-I498 WeakPolarHBondContact O-CG1 3.49Å; R494-I498 PolarHBondContact O-N 3.03Å; F495-I498 PolarHBondContact O-N 3.28Å; I498-K500 VanDerWaalsContact C-N 3.3Å; I498-K500 PolarHBondContact O-N 3.38Å; I498-H501 WeakPolarHBondContact O-CB 3.2Å; I498-H501 PolarHBondContact O-N 3.29Å; I498-H501 VanDerWaalsContact O-N 3.12Å; I498-I502 HydrophobicContact CG2-CD1 4.27Å; I498-I502 WeakPolarHBondContact O-CG1 3.39Å; I498-I502 PolarHBondContact O-N 3.16Å |
| 499 | L | 98.3 | Very high | 91 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -39.6 | 175.7 | -69.2 | 165.5 | 0 | 0 | 0 | 112 | L477 F495 R497 H501 I502 L503 L538 I540 F547 K549 V551 C556 | L477-L499 HydrophobicContact CD2-CD2 3.91Å; L477-L499 HydrophobicContact CD2-CG 4.12Å; F495-L499 WeakPolarHBondContact O-CB 3.28Å; F495-L499 WeakPolarHBondContact O-CD1 3.38Å; F495-L499 VanDerWaalsContact O-CG 3.23Å; F495-L499 WeakPolarHBondContact O-CG 3.45Å; F495-L499 PolarHBondContact O-N 3.18Å; R497-L499 VanDerWaalsContact C-N 3.33Å; R497-L499 PolarHBondContact O-N 3Å; L499-H501 VanDerWaalsContact C-N 3.31Å; L499-H501 PolarHBondContact O-N 2.96Å; L499-I502 HydrophobicContact CD2-CD1 4.39Å; L499-I502 PolarHBondContact O-N 3.4Å; L499-L503 WeakPolarHBondContact O-CG 3.44Å; L499-L503 PolarHBondContact O-N 3.4Å; L499-L503 VanDerWaalsContact O-N 3.09Å; L499-L538 HydrophobicContact CD2-CD2 4.26Å; L499-I540 HydrophobicContact CD2-CG2 4.06Å; L499-F547 HydrophobicContact CD1-CE2 3.73Å; L499-F547 HydrophobicContact CD1-CZ 3.97Å; L499-K549 HydrophobicContact CD1-CB 4.41Å; L499-K549 HydrophobicContact CD1-CD 4.32Å; L499-V551 HydrophobicContact CB-CB 4.29Å; L499-V551 HydrophobicContact CB-CG1 4.17Å; L499-V551 HydrophobicContact CB-CG2 3.98Å; L499-V551 HydrophobicContact CD1-CG2 3.88Å; L499-C556 HydrophobicContact CD1-CB 3.65Å; L499-C556 HydrophobicContact CD2-CB 3.75Å; L499-C556 HydrophobicContact CG-CB 4.25Å |
| 500 | K | 97.9 | Very high | 92.9 | Very high | 65 Ų | 65 | 32.9 Ų | 32.9 | 28% | 0.283 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 173.4 | -179.5 | -178.6 | -178 | 179.4 | 0 | 111.3 | E321 S496 R497 I498 I502 L503 T504 V551 L552 | E321-K500 WeakPolarHBondContact OE1-CE 3.33Å; E321-K500 IonicContact OE1-NZ 2.62Å; E321-K500 PolarHBondContact OE1-NZ 2.7Å; S496-K500 VanDerWaalsContact O-CB 3.3Å; S496-K500 WeakPolarHBondContact O-CB 3.42Å; S496-K500 PolarHBondContact O-N 2.97Å; R497-K500 WeakPolarHBondContact O-CB 3.23Å; R497-K500 PolarHBondContact O-N 3.09Å; I498-K500 VanDerWaalsContact C-N 3.3Å; I498-K500 PolarHBondContact O-N 3.38Å; K500-I502 PolarHBondContact O-N 3.36Å; K500-L503 PolarHBondContact O-N 3.45Å; K500-T504 HydrophobicContact CG-CG2 4.3Å; K500-T504 WeakPolarHBondContact O-CB 3.4Å; K500-T504 VanDerWaalsContact O-CG2 3.27Å; K500-T504 WeakPolarHBondContact O-CG2 3.38Å; K500-T504 PolarHBondContact O-N 3.36Å; K500-T504 PolarHBondContact O-OG1 3.04Å; K500-V551 HydrophobicContact CB-CG1 4.09Å; K500-L552 HydrophobicContact CG-CD1 4.05Å |
| 501 | H | 98.3 | Very high | 94.4 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 6% | 0.06 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.7 | -45.9 | 174.7 | -71 | -39.1 | 0 | 0 | 0 | 112 | S295 F297 R497 I498 L499 L503 T504 Q505 | S295-H501 PolarHBondContact O-CE1 2.6Å; S295-H501 VanDerWaalsContact O-CE1 3.32Å; S295-H501 PolarHBondContact OG-CE1 3.08Å; S295-H501 PolarHBondContact OG-NE2 3.41Å; F297-H501 HydrophobicContact CD1-CB 4.21Å; F297-H501 AromaticContact CD1-CD2 3.65Å; F297-H501 AromaticContact CD1-CG 3.81Å; F297-H501 HydrophobicContact CE1-CB 3.59Å; F297-H501 AromaticContact CE1-CD2 3.89Å; F297-H501 AromaticContact CE1-CG 3.55Å; F297-H501 AromaticContact CE1-ND1 3.94Å; F297-H501 HydrophobicContact CZ-CB 4.38Å; R497-H501 PolarHBondContact O-CD2 3.49Å; R497-H501 PolarHBondContact O-N 2.72Å; I498-H501 WeakPolarHBondContact O-CB 3.2Å; I498-H501 PolarHBondContact O-N 3.29Å; I498-H501 VanDerWaalsContact O-N 3.12Å; L499-H501 VanDerWaalsContact C-N 3.31Å; L499-H501 PolarHBondContact O-N 2.96Å; H501-L503 PolarHBondContact O-N 2.73Å; H501-T504 PolarHBondContact O-N 2.71Å; H501-T504 PolarHBondContact O-OG1 3.22Å; H501-Q505 WeakPolarHBondContact O-CB 3.47Å; H501-Q505 WeakPolarHBondContact O-CG 3.31Å; H501-Q505 PolarHBondContact O-N 2.78Å |
| 502 | I | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.8 | -49.8 | 179.4 | -62.3 | 166.3 | 0 | 0 | 0 | 110.8 | L476 L477 L480 I498 L499 K500 T504 R506 L538 I540 | L476-I502 HydrophobicContact CD2-CD1 3.53Å; L476-I502 HydrophobicContact CD2-CG1 3.63Å; L476-I502 HydrophobicContact CD2-CG2 4.23Å; L476-I502 HydrophobicContact CG-CD1 4.02Å; L476-I502 HydrophobicContact CG-CG1 4.34Å; L477-I502 HydrophobicContact CD2-CD1 4.44Å; L480-I502 HydrophobicContact CD1-CD1 4.23Å; L480-I502 HydrophobicContact CD1-CG1 3.76Å; I498-I502 HydrophobicContact CG2-CD1 4.27Å; I498-I502 WeakPolarHBondContact O-CG1 3.39Å; I498-I502 PolarHBondContact O-N 3.16Å; L499-I502 HydrophobicContact CD2-CD1 4.39Å; L499-I502 PolarHBondContact O-N 3.4Å; K500-I502 PolarHBondContact O-N 3.36Å; I502-T504 VanDerWaalsContact C-N 3.34Å; I502-T504 PolarHBondContact O-N 3.26Å; I502-R506 PolarHBondContact O-N 2.97Å; I502-L538 HydrophobicContact CG2-CD2 4.25Å; I502-I540 HydrophobicContact CD1-CD1 3.6Å |
| 503 | L | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.9 | -34.2 | -178.2 | -62.1 | 176.6 | 0 | 0 | 0 | 113 | P324 L499 K500 H501 T534 P535 L538 V551 L552 C554 | P324-L503 WeakPolarHBondContact CA-O 3.26Å; P324-L503 HydrophobicContact CB-CB 4.46Å; L499-L503 WeakPolarHBondContact O-CG 3.44Å; L499-L503 PolarHBondContact O-N 3.4Å; L499-L503 VanDerWaalsContact O-N 3.09Å; K500-L503 PolarHBondContact O-N 3.45Å; H501-L503 PolarHBondContact O-N 2.73Å; L503-T534 HydrophobicContact CD2-CG2 4.12Å; L503-P535 HydrophobicContact CD2-CG 4.23Å; L503-L538 HydrophobicContact CD2-CD2 4.34Å; L503-V551 HydrophobicContact CD1-CB 4.39Å; L503-V551 HydrophobicContact CD1-CG1 4.25Å; L503-V551 WeakPolarHBondContact CD1-O 3.16Å; L503-L552 HydrophobicContact CB-CD1 4.46Å; L503-L552 HydrophobicContact CD1-CB 4.29Å; L503-L552 HydrophobicContact CD1-CD1 4.48Å; L503-C554 HydrophobicContact CD1-CB 3.81Å; L503-C554 HydrophobicContact CD2-CB 4.32Å |
| 504 | T | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -88.3 | -20.3 | -176.4 | 56 | 0 | 0 | 0 | 0 | 113.9 | G322 P324 K500 H501 I502 R506 L552 | G322-T504 VanDerWaalsContact C-CG2 3.45Å; G322-T504 VanDerWaalsContact O-CG2 3.26Å; G322-T504 WeakPolarHBondContact O-CG2 3.36Å; P324-T504 HydrophobicContact CB-CG2 4.37Å; K500-T504 HydrophobicContact CG-CG2 4.3Å; K500-T504 WeakPolarHBondContact O-CB 3.4Å; K500-T504 VanDerWaalsContact O-CG2 3.27Å; K500-T504 WeakPolarHBondContact O-CG2 3.38Å; K500-T504 PolarHBondContact O-N 3.36Å; K500-T504 PolarHBondContact O-OG1 3.04Å; H501-T504 PolarHBondContact O-N 2.71Å; H501-T504 PolarHBondContact O-OG1 3.22Å; I502-T504 VanDerWaalsContact C-N 3.34Å; I502-T504 PolarHBondContact O-N 3.26Å; T504-R506 VanDerWaalsContact C-N 3.34Å; T504-L552 HydrophobicContact CG2-CD1 3.93Å |
| 505 | Q | 98.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 23.6 Ų | 23.6 | 5% | 0.047 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -90.3 | -3.7 | 173.5 | -64.5 | -72.2 | -62.7 | 0 | 0 | 112.7 | F297 V301 H501 S507 P510 | F297-Q505 HydrophobicContact CE1-CG 4.37Å; F297-Q505 HydrophobicContact CZ-CG 4Å; V301-Q505 PolarHBondContact O-NE2 2.85Å; H501-Q505 WeakPolarHBondContact O-CB 3.47Å; H501-Q505 WeakPolarHBondContact O-CG 3.31Å; H501-Q505 PolarHBondContact O-N 2.78Å; Q505-S507 PolarHBondContact O-N 3.12Å; Q505-P510 HydrophobicContact CB-CB 3.6Å; Q505-P510 HydrophobicContact CB-CG 4.14Å; Q505-P510 HydrophobicContact CG-CB 4.16Å |
| 506 | R | 97.6 | Very high | 97.3 | Very high | 28 Ų | 28 | 31.1 Ų | 31.1 | 11% | 0.106 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 25.4 | 166.7 | -51.3 | 176.4 | 178.7 | -161.4 | 2.6 | 114.3 | E230 V323 L325 I502 T504 Q530 L531 | E230-R506 IonicContact OE1-CZ 3.11Å; E230-R506 IonicContact OE1-NH1 2.64Å; E230-R506 PolarHBondContact OE1-NH1 2.81Å; E230-R506 IonicContact OE2-CZ 4Å; E230-R506 IonicContact OE2-NH1 2.74Å; E230-R506 PolarHBondContact OE2-NH1 3.02Å; E230-R506 IonicContact OE2-NH2 3.9Å; E230-R506 PolarHBondContact OE2-NH2 3.36Å; V323-R506 PolarHBondContact O-NE 3.37Å; L325-R506 HydrophobicContact CD1-CB 4.27Å; L325-R506 HydrophobicContact CD1-CG 4.23Å; L325-R506 HydrophobicContact CG-CG 4.01Å; I502-R506 PolarHBondContact O-N 2.97Å; T504-R506 VanDerWaalsContact C-N 3.34Å; R506-Q530 PolarHBondContact O-OE1 2.88Å; R506-L531 PolarHBondContact O-N 3.22Å |
| 507 | S | 97.1 | Very high | 97 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -136 | 145.7 | 179.6 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | Q505 Y509 F525 A529 | Q505-S507 PolarHBondContact O-N 3.12Å; S507-Y509 PolarHBondContact O-N 3.45Å; S507-Y509 PolarHBondContact OG-N 2.93Å; S507-Y509 VanDerWaalsContact OG-N 3.12Å; S507-F525 WeakPolarHBondContact OG-CZ 3.38Å; S507-A529 WeakPolarHBondContact CA-O 3.33Å; S507-A529 PolarHBondContact OG-O 3.43Å |
| 508 | Y | 98 | Very high | 96.9 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -71.1 | -8.2 | 171.1 | -75.1 | -79.6 | 0 | 0 | 0 | 113.3 | Y435 P459 C460 S461 G470 T472 L476 A529 L531 L538 | Y435-Y508 VanDerWaalsContact OH-CB 3.26Å; Y435-Y508 WeakPolarHBondContact OH-CB 3.42Å; P459-Y508 HydrophobicContact CB-CD1 3.7Å; P459-Y508 HydrophobicContact CB-CD2 3.78Å; P459-Y508 HydrophobicContact CB-CE1 4.18Å; P459-Y508 HydrophobicContact CB-CE2 4.24Å; P459-Y508 HydrophobicContact CB-CG 3.48Å; P459-Y508 VanDerWaalsContact CB-CG 3.48Å; P459-Y508 HydrophobicContact CG-CD1 4.34Å; P459-Y508 HydrophobicContact CG-CD2 3.55Å; P459-Y508 HydrophobicContact CG-CE2 4.25Å; P459-Y508 HydrophobicContact CG-CG 3.61Å; C460-Y508 PolarHBondContact O-OH 2.97Å; S461-Y508 PolarHBondContact OG-OH 3.31Å; G470-Y508 WeakPolarHBondContact CA-OH 3.39Å; T472-Y508 HydrophobicContact CG2-CD1 4.42Å; L476-Y508 VanDerWaalsContact CD2-O 3.25Å; L476-Y508 WeakPolarHBondContact CD2-O 3.45Å; Y508-A529 PolarHBondContact N-O 3.25Å; Y508-L531 HydrophobicContact CD1-CD2 4.13Å; Y508-L531 HydrophobicContact CD2-CD2 4Å; Y508-L531 HydrophobicContact CD2-CG 4.48Å; Y508-L531 HydrophobicContact CE1-CD2 3.69Å; Y508-L531 HydrophobicContact CE2-CD2 3.56Å; Y508-L531 HydrophobicContact CE2-CG 4.37Å; Y508-L531 HydrophobicContact CG-CD2 4.27Å; Y508-L538 HydrophobicContact CE1-CD1 4.37Å |
| 509 | Y | 98.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | trans | -153.6 | 82.6 | 171.4 | -162.7 | -86.5 | 0 | 0 | 0 | 111.5 | T474 L476 H479 S507 L511 P514 Q515 M518 I520 F525 | T474-Y509 HydrophobicContact CG2-CD2 3.96Å; T474-Y509 HydrophobicContact CG2-CE2 3.92Å; L476-Y509 HydrophobicContact CB-CD2 4.31Å; L476-Y509 HydrophobicContact CD1-CD2 3.5Å; L476-Y509 VanDerWaalsContact CD1-CD2 3.5Å; L476-Y509 HydrophobicContact CD1-CE2 3.66Å; L476-Y509 HydrophobicContact CD1-CG 4.11Å; L476-Y509 HydrophobicContact CG-CD2 4.4Å; H479-Y509 HydrophobicContact CB-CE2 4.44Å; H479-Y509 AromaticContact ND1-CE2 3.44Å; H479-Y509 WeakPolarHBondContact ND1-CE2 3.48Å; H479-Y509 AromaticContact ND1-CZ 3.62Å; H479-Y509 PolarHBondContact ND1-OH 3.46Å; S507-Y509 PolarHBondContact O-N 3.45Å; S507-Y509 PolarHBondContact OG-N 2.93Å; S507-Y509 VanDerWaalsContact OG-N 3.12Å; Y509-L511 HydrophobicContact CD1-CB 4.44Å; Y509-L511 WeakPolarHBondContact CD1-O 3.47Å; Y509-L511 HydrophobicContact CE1-CB 3.83Å; Y509-L511 HydrophobicContact CE1-CG 4.48Å; Y509-L511 WeakPolarHBondContact CE1-O 3.48Å; Y509-P514 HydrophobicContact CE1-CB 3.59Å; Y509-Q515 PolarHBondContact OH-N 3.32Å; Y509-Q515 VanDerWaalsContact OH-N 3.15Å; Y509-M518 HydrophobicContact CD1-CE 4.18Å; Y509-M518 HydrophobicContact CD1-SD 4.34Å; Y509-M518 HydrophobicContact CD2-CE 3.43Å; Y509-M518 VanDerWaalsContact CD2-CE 3.43Å; Y509-M518 HydrophobicContact CD2-SD 3.61Å; Y509-M518 HydrophobicContact CE1-CE 4.34Å; Y509-M518 HydrophobicContact CE1-SD 3.91Å; Y509-M518 HydrophobicContact CE2-CE 3.65Å; Y509-M518 HydrophobicContact CE2-SD 3.09Å; Y509-M518 WeakPolarHBondContact CE2-SD 3.11Å; Y509-M518 HydrophobicContact CG-CE 3.73Å; Y509-M518 HydrophobicContact CG-SD 4.21Å; Y509-I520 HydrophobicContact CD1-CD1 3.62Å; Y509-I520 HydrophobicContact CE1-CD1 3.92Å; Y509-I520 HydrophobicContact CG-CD1 4.3Å; Y509-F525 VanDerWaalsContact O-CZ 3.31Å; Y509-F525 WeakPolarHBondContact O-CZ 3.49Å | ||
| 510 | P | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | trans | -82.1 | -15.7 | -174.7 | 32 | -36.5 | 0 | 0 | 0 | 114.7 | K223 F297 L480 Q505 Y512 | K223-P510 PolarHBondContact NZ-O 3.43Å; F297-P510 HydrophobicContact CE2-CB 4.17Å; F297-P510 HydrophobicContact CE2-CG 4.26Å; F297-P510 HydrophobicContact CZ-CB 4.01Å; F297-P510 HydrophobicContact CZ-CG 4.05Å; L480-P510 HydrophobicContact CD1-CG 4.15Å; Q505-P510 HydrophobicContact CB-CB 3.6Å; Q505-P510 HydrophobicContact CB-CG 4.14Å; Q505-P510 HydrophobicContact CG-CB 4.16Å; P510-Y512 PolarHBondContact O-N 2.97Å | ||
| 511 | L | 98.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | trans | -62.7 | 124.1 | 179.3 | 178.5 | 62.9 | 0 | 0 | 0 | 110.1 | F297 P298 H479 L480 E483 Y509 | F297-L511 HydrophobicContact CD2-CD1 4.18Å; P298-L511 HydrophobicContact CB-CD1 4.16Å; P298-L511 HydrophobicContact CG-CD1 4.39Å; P298-L511 WeakPolarHBondContact O-CD1 3.29Å; H479-L511 HydrophobicContact CB-CD2 3.79Å; L480-L511 HydrophobicContact CD2-CB 3.74Å; L480-L511 HydrophobicContact CD2-CD1 4.21Å; L480-L511 HydrophobicContact CD2-CG 4.43Å; L480-L511 HydrophobicContact CG-CB 4.26Å; E483-L511 HydrophobicContact CB-CD1 4.05Å; E483-L511 HydrophobicContact CG-CD1 4.19Å; E483-L511 HydrophobicContact CG-CD2 4.47Å; Y509-L511 HydrophobicContact CD1-CB 4.44Å; Y509-L511 WeakPolarHBondContact CD1-O 3.47Å; Y509-L511 HydrophobicContact CE1-CB 3.83Å; Y509-L511 HydrophobicContact CE1-CG 4.48Å; Y509-L511 WeakPolarHBondContact CE1-O 3.48Å | ||
| 512 | Y | 97.9 | Very high | 96.7 | Very high | 60 Ų | 60 | 33 Ų | 33 | 24% | 0.235 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -142.9 | 129.5 | 178.2 | 176.4 | -95.8 | 0 | 0 | 0 | 110.8 | L220 P298 G299 P510 Y522 | L220-Y512 HydrophobicContact CD1-CE1 3.89Å; L220-Y512 HydrophobicContact CD1-CE2 3.77Å; L220-Y512 WeakPolarHBondContact CD1-OH 3.29Å; L220-Y512 HydrophobicContact CD2-CD1 4.19Å; L220-Y512 HydrophobicContact CD2-CD2 3.79Å; L220-Y512 HydrophobicContact CD2-CE1 4.15Å; L220-Y512 HydrophobicContact CD2-CE2 3.75Å; L220-Y512 HydrophobicContact CD2-CG 4.02Å; L220-Y512 HydrophobicContact CG-CE2 4.38Å; P298-Y512 CarbonylContact C-O 3.49Å; P298-Y512 VanDerWaalsContact CB-O 3.26Å; P298-Y512 WeakPolarHBondContact CB-O 3.42Å; P298-Y512 PolarHBondContact O-N 2.96Å; G299-Y512 WeakPolarHBondContact CA-O 3.22Å; G299-Y512 PolarHBondContact N-O 2.83Å; P510-Y512 PolarHBondContact O-N 2.97Å; Y512-Y522 AromaticContact CD2-CE1 3.95Å; Y512-Y522 HydrophobicContact CD2-CE1 3.95Å; Y512-Y522 AromaticContact CD2-CZ 3.84Å; Y512-Y522 WeakPolarHBondContact CD2-OH 3.22Å; Y512-Y522 HydrophobicContact CE2-CE1 4.1Å; Y512-Y522 AromaticContact CE2-CZ 3.75Å; Y512-Y522 VanDerWaalsContact CE2-OH 3.3Å; Y512-Y522 WeakPolarHBondContact CE2-OH 3.28Å |
| 513 | P | 97.6 | Very high | 96.5 | Very high | 88 Ų | 88 | 37.1 Ų | 37.1 | 57% | 0.571 | 19% | 0.192 | S | C | * | . | S | Bend | cis | -59.4 | 153.9 | -7.8 | -24.3 | 35.9 | 0 | 0 | 0 | 113.7 | ||
| 514 | P | 97.1 | Very high | 96.4 | Very high | 32 Ų | 32 | 37.8 Ų | 37.8 | 21% | 0.208 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 167.8 | 176.9 | 30.2 | -36.2 | 0 | 0 | 0 | 111.6 | Y509 M518 I520 Y522 | Y509-P514 HydrophobicContact CE1-CB 3.59Å; P514-M518 HydrophobicContact CB-CB 4.31Å; P514-M518 HydrophobicContact CB-CG 4.41Å; P514-I520 HydrophobicContact CB-CD1 3.71Å; P514-I520 HydrophobicContact CB-CG1 4.28Å; P514-I520 HydrophobicContact CG-CD1 4.06Å; P514-I520 HydrophobicContact CG-CG1 4.33Å; P514-Y522 VanDerWaalsContact CD-OH 3.22Å; P514-Y522 WeakPolarHBondContact CD-OH 3.49Å |
| 515 | Q | 95.6 | Very high | 96.2 | Very high | 57 Ų | 57 | 38.2 Ų | 38.2 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -58.7 | 147.7 | 173.4 | -172.9 | 172 | -56.8 | 0 | 0 | 109.9 | H479 Y509 D517 M518 | H479-Q515 PolarHBondContact CD2-OE1 3.47Å; H479-Q515 PolarHBondContact NE2-OE1 3.42Å; Y509-Q515 PolarHBondContact OH-N 3.32Å; Y509-Q515 VanDerWaalsContact OH-N 3.15Å; Q515-D517 WeakPolarHBondContact CG-OD1 3.28Å; Q515-D517 PolarHBondContact NE2-OD1 3.17Å; Q515-D517 PolarHBondContact O-N 3.4Å; Q515-D517 VanDerWaalsContact O-N 3.13Å; Q515-M518 WeakPolarHBondContact O-CB 3.47Å; Q515-M518 PolarHBondContact O-N 3.3Å |
| 516 | E | 90.3 | Very high | 96.1 | Very high | 203 Ų | 203 | 41.8 Ų | 41.8 | 95% | 0.949 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -34.8 | -171 | -169.4 | 175.7 | -173.9 | 0 | 0 | 114.2 | M518 | E516-M518 VanDerWaalsContact C-N 3.31Å; E516-M518 PolarHBondContact O-N 3.09Å |
| 517 | D | 89.3 | Confident | 95.8 | Very high | 93 Ų | 93 | 42.7 Ų | 42.7 | 50% | 0.497 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 10.5 | 177.7 | 68.1 | -27.8 | 0 | 0 | 0 | 114.3 | K385 Q515 | K385-D517 IonicContact NZ-OD2 3.08Å; K385-D517 PolarHBondContact NZ-OD2 3.39Å; Q515-D517 WeakPolarHBondContact CG-OD1 3.28Å; Q515-D517 PolarHBondContact NE2-OD1 3.17Å; Q515-D517 PolarHBondContact O-N 3.4Å; Q515-D517 VanDerWaalsContact O-N 3.13Å |
| 518 | M | 94.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 45.9 Ų | 45.9 | 5% | 0.049 | 23% | 0.233 | C | C | . | . | trans | -113.5 | 101.8 | -178.9 | -175.6 | 169.2 | -180 | 0 | 0 | 112.5 | L426 Y435 T474 Y509 P514 Q515 E516 I520 | L426-M518 HydrophobicContact CD1-CE 4.48Å; L426-M518 HydrophobicContact CD1-CG 4.04Å; Y435-M518 HydrophobicContact CD1-CE 3.7Å; Y435-M518 HydrophobicContact CD2-CE 3.94Å; Y435-M518 HydrophobicContact CE1-CE 4.08Å; Y435-M518 HydrophobicContact CE2-CE 4.32Å; Y435-M518 HydrophobicContact CG-CE 3.61Å; T474-M518 HydrophobicContact CG2-CE 3.69Å; T474-M518 HydrophobicContact CG2-SD 3.65Å; Y509-M518 HydrophobicContact CD1-CE 4.18Å; Y509-M518 HydrophobicContact CD1-SD 4.34Å; Y509-M518 HydrophobicContact CD2-CE 3.43Å; Y509-M518 VanDerWaalsContact CD2-CE 3.43Å; Y509-M518 HydrophobicContact CD2-SD 3.61Å; Y509-M518 HydrophobicContact CE1-CE 4.34Å; Y509-M518 HydrophobicContact CE1-SD 3.91Å; Y509-M518 HydrophobicContact CE2-CE 3.65Å; Y509-M518 HydrophobicContact CE2-SD 3.09Å; Y509-M518 WeakPolarHBondContact CE2-SD 3.11Å; Y509-M518 HydrophobicContact CG-CE 3.73Å; Y509-M518 HydrophobicContact CG-SD 4.21Å; P514-M518 HydrophobicContact CB-CB 4.31Å; P514-M518 HydrophobicContact CB-CG 4.41Å; Q515-M518 WeakPolarHBondContact O-CB 3.47Å; Q515-M518 PolarHBondContact O-N 3.3Å; E516-M518 VanDerWaalsContact C-N 3.31Å; E516-M518 PolarHBondContact O-N 3.09Å; M518-I520 HydrophobicContact CE-CD1 3.87Å; M518-I520 HydrophobicContact CE-CG1 4.01Å; M518-I520 HydrophobicContact CG-CD1 4.44Å; M518-I520 HydrophobicContact CG-CG1 4.1Å; M518-I520 HydrophobicContact SD-CD1 4.42Å | ||
| 519 | A | 96.8 | Very high | 95.7 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 42% | 0.421 | 23% | 0.232 | S | C | . | . | trans | -79.1 | 126.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y435 | Y435-A519 WeakPolarHBondContact CB-O 3.49Å; Y435-A519 PolarHBondContact N-O 2.77Å | ||
| 520 | I | 97.3 | Very high | 95.5 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -122 | 132.7 | 177.1 | -58.6 | -175.7 | 0 | 0 | 0 | 109.8 | Q211 Y435 Y509 P514 M518 Y522 F525 | Q211-I520 PolarHBondContact NE2-O 2.55Å; Y435-I520 HydrophobicContact CD1-CD1 4.3Å; Y435-I520 HydrophobicContact CD1-CG1 4.09Å; Y435-I520 HydrophobicContact CD1-CG2 4.33Å; Y435-I520 CarbonylContact O-C 3.52Å; Y435-I520 WeakPolarHBondContact O-CA 3.2Å; Y509-I520 HydrophobicContact CD1-CD1 3.62Å; Y509-I520 HydrophobicContact CE1-CD1 3.92Å; Y509-I520 HydrophobicContact CG-CD1 4.3Å; P514-I520 HydrophobicContact CB-CD1 3.71Å; P514-I520 HydrophobicContact CB-CG1 4.28Å; P514-I520 HydrophobicContact CG-CD1 4.06Å; P514-I520 HydrophobicContact CG-CG1 4.33Å; M518-I520 HydrophobicContact CE-CD1 3.87Å; M518-I520 HydrophobicContact CE-CG1 4.01Å; M518-I520 HydrophobicContact CG-CD1 4.44Å; M518-I520 HydrophobicContact CG-CG1 4.1Å; M518-I520 HydrophobicContact SD-CD1 4.42Å; I520-Y522 HydrophobicContact CB-CE2 4.38Å; I520-Y522 HydrophobicContact CG2-CD1 4.27Å; I520-Y522 HydrophobicContact CG2-CD2 4.48Å; I520-Y522 HydrophobicContact CG2-CE1 4.23Å; I520-Y522 HydrophobicContact CG2-CE2 4.44Å; I520-Y522 HydrophobicContact CG2-CG 4.4Å; I520-F525 HydrophobicContact CG2-CB 3.85Å; I520-F525 HydrophobicContact CG2-CD2 4.11Å; I520-F525 HydrophobicContact CG2-CG 4.09Å |
| 521 | D | 97.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | -91.8 | 107 | 163.4 | -172.6 | -91.1 | 0 | 0 | 0 | 109.5 | Y206 Q211 V434 Y435 T524 F525 | Y206-D521 HydrophobicContact CE2-CB 4.07Å; Q211-D521 WeakPolarHBondContact CG-OD2 3.28Å; V434-D521 HydrophobicContact CG1-CB 3.79Å; Y435-D521 PolarHBondContact O-N 3.04Å; D521-T524 PolarHBondContact O-N 3.39Å; D521-T524 WeakPolarHBondContact OD1-CB 2.91Å; D521-T524 PolarHBondContact OD1-N 2.95Å; D521-T524 PolarHBondContact OD1-OG1 3.15Å; D521-F525 WeakPolarHBondContact O-CB 3.47Å; D521-F525 PolarHBondContact O-N 3.18Å | ||
| 522 | Y | 96.9 | Very high | 95.3 | Very high | 24 Ų | 24 | 50.9 Ų | 50.9 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.7 | -33.8 | -169.9 | -76.1 | -81.3 | 0 | 0 | 0 | 113.3 | I216 V219 L220 Y512 P514 I520 T524 F525 Y526 | I216-Y522 HydrophobicContact CD1-CD2 4.24Å; I216-Y522 HydrophobicContact CG1-CD2 4.09Å; I216-Y522 HydrophobicContact CG2-CD2 3.77Å; I216-Y522 HydrophobicContact CG2-CE2 4.25Å; I216-Y522 HydrophobicContact CG2-CG 4.03Å; V219-Y522 HydrophobicContact CG1-CD1 4.45Å; L220-Y522 HydrophobicContact CD2-CE1 4.36Å; Y512-Y522 AromaticContact CD2-CE1 3.95Å; Y512-Y522 HydrophobicContact CD2-CE1 3.95Å; Y512-Y522 AromaticContact CD2-CZ 3.84Å; Y512-Y522 WeakPolarHBondContact CD2-OH 3.22Å; Y512-Y522 HydrophobicContact CE2-CE1 4.1Å; Y512-Y522 AromaticContact CE2-CZ 3.75Å; Y512-Y522 VanDerWaalsContact CE2-OH 3.3Å; Y512-Y522 WeakPolarHBondContact CE2-OH 3.28Å; P514-Y522 VanDerWaalsContact CD-OH 3.22Å; P514-Y522 WeakPolarHBondContact CD-OH 3.49Å; I520-Y522 HydrophobicContact CB-CE2 4.38Å; I520-Y522 HydrophobicContact CG2-CD1 4.27Å; I520-Y522 HydrophobicContact CG2-CD2 4.48Å; I520-Y522 HydrophobicContact CG2-CE1 4.23Å; I520-Y522 HydrophobicContact CG2-CE2 4.44Å; I520-Y522 HydrophobicContact CG2-CG 4.4Å; Y522-T524 VanDerWaalsContact C-N 3.33Å; Y522-F525 HydrophobicContact CD1-CD1 4.27Å; Y522-F525 PolarHBondContact O-N 2.99Å; Y522-Y526 WeakPolarHBondContact O-CB 3.37Å; Y522-Y526 PolarHBondContact O-N 3.34Å |
| 523 | E | 93.9 | Very high | 95.2 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 42% | 0.416 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 175.5 | -65 | -178.3 | 88.2 | 0 | 0 | 110.2 | D215 | D215-E523 HydrophobicContact CB-CG 4.15Å |
| 524 | T | 94.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.1 | -39 | 176.7 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | Y206 P436 D521 Y522 Y526 V527 Y528 | Y206-T524 HydrophobicContact CD1-CG2 4.11Å; Y206-T524 HydrophobicContact CD2-CG2 4.25Å; Y206-T524 WeakPolarHBondContact CD2-OG1 3.3Å; Y206-T524 HydrophobicContact CE1-CG2 3.71Å; Y206-T524 HydrophobicContact CE2-CG2 3.86Å; Y206-T524 WeakPolarHBondContact CE2-OG1 3.19Å; Y206-T524 HydrophobicContact CG-CG2 4.37Å; P436-T524 HydrophobicContact CG-CG2 4.29Å; D521-T524 PolarHBondContact O-N 3.39Å; D521-T524 WeakPolarHBondContact OD1-CB 2.91Å; D521-T524 PolarHBondContact OD1-N 2.95Å; D521-T524 PolarHBondContact OD1-OG1 3.15Å; Y522-T524 VanDerWaalsContact C-N 3.33Å; T524-Y526 VanDerWaalsContact C-N 3.32Å; T524-Y526 PolarHBondContact O-N 3.31Å; T524-V527 PolarHBondContact O-N 3.15Å; T524-V527 VanDerWaalsContact O-N 3.15Å; T524-Y528 HydrophobicContact CG2-CD2 3.43Å; T524-Y528 VanDerWaalsContact CG2-CD2 3.43Å; T524-Y528 HydrophobicContact CG2-CE2 3.9Å; T524-Y528 VanDerWaalsContact O-CD2 3.31Å; T524-Y528 WeakPolarHBondContact O-CD2 3.29Å; T524-Y528 PolarHBondContact O-N 2.9Å |
| 525 | F | 95.6 | Very high | 95.2 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.4 | -44.4 | 175.7 | 170.1 | -96 | 0 | 0 | 0 | 112.4 | Y435 P436 S507 Y509 I520 D521 Y522 V527 A529 Q530 | Y435-F525 HydrophobicContact CD1-CD2 4.24Å; Y435-F525 AromaticContact CE1-CD2 3.77Å; Y435-F525 HydrophobicContact CE1-CD2 3.77Å; Y435-F525 HydrophobicContact CE1-CE2 4.09Å; P436-F525 HydrophobicContact CG-CB 4.43Å; S507-F525 WeakPolarHBondContact OG-CZ 3.38Å; Y509-F525 VanDerWaalsContact O-CZ 3.31Å; Y509-F525 WeakPolarHBondContact O-CZ 3.49Å; I520-F525 HydrophobicContact CG2-CB 3.85Å; I520-F525 HydrophobicContact CG2-CD2 4.11Å; I520-F525 HydrophobicContact CG2-CG 4.09Å; D521-F525 WeakPolarHBondContact O-CB 3.47Å; D521-F525 PolarHBondContact O-N 3.18Å; Y522-F525 HydrophobicContact CD1-CD1 4.27Å; Y522-F525 PolarHBondContact O-N 2.99Å; F525-V527 PolarHBondContact O-N 2.87Å; F525-A529 HydrophobicContact CD2-CB 3.45Å; F525-A529 VanDerWaalsContact CD2-CB 3.45Å; F525-A529 HydrophobicContact CE2-CB 3.73Å; F525-A529 HydrophobicContact CG-CB 4.22Å; F525-A529 WeakPolarHBondContact O-CB 3.49Å; F525-A529 PolarHBondContact O-N 3.08Å; F525-Q530 PolarHBondContact O-NE2 3.38Å |
| 526 | Y | 94.9 | Very high | 95.3 | Very high | 84 Ų | 84 | 41 Ų | 41 | 33% | 0.329 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.6 | -36 | 178.6 | 177.7 | -106.5 | 0 | 0 | 0 | 112 | V219 C222 E226 Y522 T524 Q530 | V219-Y526 HydrophobicContact CG1-CD2 4.27Å; V219-Y526 HydrophobicContact CG1-CG 4.36Å; V219-Y526 HydrophobicContact CG2-CG 4.39Å; C222-Y526 HydrophobicContact CB-CE2 4Å; E226-Y526 PolarHBondContact OE1-OH 3.44Å; Y522-Y526 WeakPolarHBondContact O-CB 3.37Å; Y522-Y526 PolarHBondContact O-N 3.34Å; T524-Y526 VanDerWaalsContact C-N 3.32Å; T524-Y526 PolarHBondContact O-N 3.31Å; Y526-Q530 WeakPolarHBondContact O-CG 3.46Å |
| 527 | V | 93.3 | Very high | 95.7 | Very high | 48 Ų | 48 | 31.4 Ų | 31.4 | 29% | 0.291 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -86.7 | -42.2 | -177.8 | -176 | 0 | 0 | 0 | 0 | 112.6 | T524 F525 | T524-V527 PolarHBondContact O-N 3.15Å; T524-V527 VanDerWaalsContact O-N 3.15Å; F525-V527 PolarHBondContact O-N 2.87Å |
| 528 | Y | 95.5 | Very high | 96.2 | Very high | 69 Ų | 69 | 27 Ų | 27 | 27% | 0.271 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -113.5 | -7.9 | -164.6 | -56.5 | -70.2 | 0 | 0 | 0 | 115.5 | E200 L202 T524 | E200-Y528 WeakPolarHBondContact O-CE1 3.16Å; L202-Y528 HydrophobicContact CB-CD1 3.75Å; L202-Y528 HydrophobicContact CB-CD2 4.39Å; L202-Y528 HydrophobicContact CB-CE1 3.99Å; L202-Y528 HydrophobicContact CB-CG 3.95Å; L202-Y528 HydrophobicContact CD1-CD2 4.34Å; L202-Y528 HydrophobicContact CD1-CE2 4.05Å; T524-Y528 HydrophobicContact CG2-CD2 3.43Å; T524-Y528 VanDerWaalsContact CG2-CD2 3.43Å; T524-Y528 HydrophobicContact CG2-CE2 3.9Å; T524-Y528 VanDerWaalsContact O-CD2 3.31Å; T524-Y528 WeakPolarHBondContact O-CD2 3.29Å; T524-Y528 PolarHBondContact O-N 2.9Å |
| 529 | A | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -113.1 | 21 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y435 P436 P459 S507 Y508 F525 | Y435-A529 HydrophobicContact CE1-CB 3.86Å; P436-A529 HydrophobicContact CG-CB 3.82Å; P459-A529 HydrophobicContact CG-CB 3.95Å; S507-A529 WeakPolarHBondContact CA-O 3.33Å; S507-A529 PolarHBondContact OG-O 3.43Å; Y508-A529 PolarHBondContact N-O 3.25Å; F525-A529 HydrophobicContact CD2-CB 3.45Å; F525-A529 VanDerWaalsContact CD2-CB 3.45Å; F525-A529 HydrophobicContact CE2-CB 3.73Å; F525-A529 HydrophobicContact CG-CB 4.22Å; F525-A529 WeakPolarHBondContact O-CB 3.49Å; F525-A529 PolarHBondContact O-N 3.08Å |
| 530 | Q | 95.5 | Very high | 96.5 | Very high | 65 Ų | 65 | 24.1 Ų | 24.1 | 30% | 0.304 | 12% | 0.117 | S | C | . | . | B | Isolated β-bridge | trans | -90.2 | 149.7 | 170.5 | -49.3 | -49 | -47.1 | 0 | 0 | 110.8 | R506 F525 Y526 P532 | R506-Q530 PolarHBondContact O-OE1 2.88Å; F525-Q530 PolarHBondContact O-NE2 3.38Å; Y526-Q530 WeakPolarHBondContact O-CG 3.46Å; Q530-P532 WeakPolarHBondContact O-CD 3.41Å |
| 531 | L | 95.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 23.6 Ų | 23.6 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | trans | -78.6 | 121 | 170.6 | -69.5 | 173.4 | 0 | 0 | 0 | 108.2 | L325 R506 Y508 V533 | L325-L531 HydrophobicContact CD1-CB 4.47Å; L325-L531 WeakPolarHBondContact CD1-O 3.45Å; R506-L531 PolarHBondContact O-N 3.22Å; Y508-L531 HydrophobicContact CD1-CD2 4.13Å; Y508-L531 HydrophobicContact CD2-CD2 4Å; Y508-L531 HydrophobicContact CD2-CG 4.48Å; Y508-L531 HydrophobicContact CE1-CD2 3.69Å; Y508-L531 HydrophobicContact CE2-CD2 3.56Å; Y508-L531 HydrophobicContact CE2-CG 4.37Å; Y508-L531 HydrophobicContact CG-CD2 4.27Å; L531-V533 VanDerWaalsContact C-N 3.32Å | ||
| 532 | P | 95.3 | Very high | 96.5 | Very high | 47 Ų | 47 | 23.4 Ų | 23.4 | 31% | 0.305 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -73.6 | -28.6 | 179.7 | 28.1 | -33.9 | 0 | 0 | 0 | 112.5 | S461 Q530 | S461-P532 WeakPolarHBondContact OG-CD 3.5Å; S461-P532 WeakPolarHBondContact OG-CG 3.33Å; Q530-P532 WeakPolarHBondContact O-CD 3.41Å |
| 533 | V | 96.3 | Very high | 96.4 | Very high | 26 Ų | 26 | 27.2 Ų | 27.2 | 16% | 0.158 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -151.2 | 168.9 | 177 | -69 | 0 | 0 | 0 | 0 | 107.4 | P326 I468 L531 P535 | P326-V533 WeakPolarHBondContact O-CB 3.33Å; I468-V533 HydrophobicContact CG1-CG2 4.41Å; I468-V533 HydrophobicContact CG2-CG2 3.95Å; L531-V533 VanDerWaalsContact C-N 3.32Å; V533-P535 WeakPolarHBondContact O-CD 3.42Å |
| 534 | T | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -68 | 122 | 163.5 | -60.8 | 0 | 0 | 0 | 0 | 108.5 | L325 P326 F327 L503 C554 | L325-T534 PolarHBondContact N-OG1 3.47Å; L325-T534 WeakPolarHBondContact O-CB 3.34Å; L325-T534 PolarHBondContact O-OG1 2.88Å; P326-T534 PolarHBondContact O-N 3.13Å; F327-T534 HydrophobicContact CD1-CG2 3.96Å; F327-T534 WeakPolarHBondContact CD1-O 3.48Å; F327-T534 HydrophobicContact CE1-CG2 3.21Å; F327-T534 HydrophobicContact CE2-CG2 4.11Å; F327-T534 HydrophobicContact CZ-CG2 3.27Å; L503-T534 HydrophobicContact CD2-CG2 4.12Å; T534-C554 HydrophobicContact CG2-CB 4.32Å |
| 535 | P | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | trans | -70.5 | 149.8 | -177.2 | 27.9 | -33.8 | 0 | 0 | 0 | 110.9 | F327 I468 L503 V533 V537 L538 C554 | F327-P535 WeakPolarHBondContact CE1-O 3.3Å; I468-P535 HydrophobicContact CG2-CB 4.38Å; L503-P535 HydrophobicContact CD2-CG 4.23Å; V533-P535 WeakPolarHBondContact O-CD 3.42Å; P535-V537 VanDerWaalsContact C-N 3.33Å; P535-L538 HydrophobicContact CG-CB 4.23Å; P535-L538 HydrophobicContact CG-CD1 4.48Å; P535-C554 WeakPolarHBondContact O-CB 3.47Å; P535-C554 PolarHBondContact O-SG 3.23Å | ||
| 536 | D | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.011 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -68.7 | -37.6 | 171.1 | -65.9 | -57.1 | 0 | 0 | 0 | 110.8 | V467 I468 V555 R578 R586 P589 | V467-D536 HydrophobicContact CG1-CB 3.77Å; I468-D536 PolarHBondContact N-OD2 3.48Å; I468-D536 PolarHBondContact O-N 2.81Å; D536-V555 PolarHBondContact O-N 3.4Å; D536-R578 IonicContact OD2-NH2 3.86Å; D536-R586 IonicContact OD1-CZ 2.78Å; D536-R586 IonicContact OD1-NE 3.74Å; D536-R586 IonicContact OD1-NH2 2.79Å; D536-R586 PolarHBondContact OD1-NH2 3.19Å; D536-P589 HydrophobicContact CB-CG 3.72Å |
| 537 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 127.1 | 177.6 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | V467 I468 F469 G470 P535 I539 V555 V557 L574 C590 | V467-V537 HydrophobicContact CG1-CG2 4.41Å; I468-V537 PolarHBondContact O-N 2.82Å; F469-V537 CarbonylContact C-O 3.55Å; F469-V537 VanDerWaalsContact CA-O 3.25Å; F469-V537 WeakPolarHBondContact CA-O 3.32Å; F469-V537 HydrophobicContact CD1-CB 3.84Å; F469-V537 HydrophobicContact CD1-CG1 3.87Å; F469-V537 HydrophobicContact CE1-CB 3.78Å; F469-V537 HydrophobicContact CE1-CG1 3.63Å; F469-V537 HydrophobicContact CE1-CG2 4.17Å; F469-V537 HydrophobicContact CE2-CB 4.48Å; F469-V537 HydrophobicContact CE2-CG2 4.38Å; F469-V537 HydrophobicContact CG-CB 4.25Å; F469-V537 HydrophobicContact CZ-CB 4.11Å; F469-V537 HydrophobicContact CZ-CG1 4.31Å; F469-V537 HydrophobicContact CZ-CG2 4.03Å; G470-V537 PolarHBondContact N-O 3.1Å; P535-V537 VanDerWaalsContact C-N 3.33Å; V537-I539 HydrophobicContact CG1-CD1 3.64Å; V537-I539 HydrophobicContact CG1-CG1 4.36Å; V537-V555 CarbonylContact C-O 3.54Å; V537-V555 VanDerWaalsContact CA-O 3.31Å; V537-V555 WeakPolarHBondContact CA-O 3.23Å; V537-V555 WeakPolarHBondContact CG1-O 3.5Å; V537-V555 HydrophobicContact CG2-CB 4.5Å; V537-V557 HydrophobicContact CG1-CG2 4.38Å; V537-L574 HydrophobicContact CG1-CD2 3.69Å; V537-C590 HydrophobicContact CG2-CB 3.77Å |
| 538 | L | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 114.7 | 173.5 | 179.1 | 64.7 | 0 | 0 | 0 | 109.4 | L499 I502 L503 Y508 P535 I540 V555 C556 V557 | L499-L538 HydrophobicContact CD2-CD2 4.26Å; I502-L538 HydrophobicContact CG2-CD2 4.25Å; L503-L538 HydrophobicContact CD2-CD2 4.34Å; Y508-L538 HydrophobicContact CE1-CD1 4.37Å; P535-L538 HydrophobicContact CG-CB 4.23Å; P535-L538 HydrophobicContact CG-CD1 4.48Å; L538-I540 HydrophobicContact CG-CB 4.47Å; L538-I540 HydrophobicContact CG-CG2 4.4Å; L538-V555 PolarHBondContact N-O 2.85Å; L538-C556 CarbonylContact O-C 3.35Å; L538-C556 WeakPolarHBondContact O-CA 3.35Å; L538-V557 PolarHBondContact O-N 3.48Å |
| 539 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 115.3 | 174.1 | -51.9 | -56.8 | 0 | 0 | 0 | 108.6 | V344 F378 F469 G470 L471 T472 V537 P541 V557 L574 | V344-I539 HydrophobicContact CG1-CG2 3.6Å; V344-I539 HydrophobicContact CG2-CD1 4.24Å; F378-I539 HydrophobicContact CE1-CG2 4.45Å; F378-I539 HydrophobicContact CE2-CB 4.34Å; F378-I539 HydrophobicContact CE2-CG2 3.52Å; F378-I539 HydrophobicContact CZ-CB 3.89Å; F378-I539 HydrophobicContact CZ-CG2 3.46Å; F378-I539 VanDerWaalsContact CZ-CG2 3.46Å; F469-I539 HydrophobicContact CD1-CD1 4.36Å; F469-I539 HydrophobicContact CD1-CG1 3.98Å; F469-I539 HydrophobicContact CE1-CD1 4.37Å; F469-I539 HydrophobicContact CE1-CG1 4.44Å; G470-I539 PolarHBondContact O-N 3.39Å; L471-I539 HydrophobicContact CD2-CB 4.04Å; L471-I539 HydrophobicContact CD2-CG1 3.86Å; T472-I539 PolarHBondContact N-O 3.06Å; V537-I539 HydrophobicContact CG1-CD1 3.64Å; V537-I539 HydrophobicContact CG1-CG1 4.36Å; I539-P541 HydrophobicContact CG2-CG 4.24Å; I539-V557 HydrophobicContact CD1-CB 3.84Å; I539-V557 HydrophobicContact CD1-CG1 4.43Å; I539-V557 HydrophobicContact CD1-CG2 4.22Å; I539-L574 HydrophobicContact CD1-CD2 4.44Å |
| 540 | I | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | trans | -136.6 | 77.2 | -174.4 | -175.5 | 160.5 | 0 | 0 | 0 | 109.9 | T472 L476 L477 L499 I502 L538 V557 | T472-I540 HydrophobicContact CG2-CB 4.35Å; T472-I540 HydrophobicContact CG2-CD1 4.4Å; T472-I540 HydrophobicContact CG2-CG1 4.14Å; L476-I540 HydrophobicContact CB-CD1 4.15Å; L476-I540 HydrophobicContact CD2-CD1 4.27Å; L477-I540 HydrophobicContact CD1-CB 4.42Å; L477-I540 HydrophobicContact CD1-CD1 4.21Å; L477-I540 HydrophobicContact CD1-CG1 3.9Å; L477-I540 HydrophobicContact CD1-CG2 3.84Å; L477-I540 HydrophobicContact CD2-CD1 4.25Å; L477-I540 HydrophobicContact CG-CD1 3.66Å; L477-I540 HydrophobicContact CG-CG1 3.83Å; L477-I540 HydrophobicContact CG-CG2 4.43Å; L499-I540 HydrophobicContact CD2-CG2 4.06Å; I502-I540 HydrophobicContact CD1-CD1 3.6Å; L538-I540 HydrophobicContact CG-CB 4.47Å; L538-I540 HydrophobicContact CG-CG2 4.4Å; I540-V557 PolarHBondContact N-O 2.92Å | ||
| 541 | P | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -60.4 | 138.3 | 178.5 | -18.9 | 34.2 | 0 | 0 | 0 | 111.4 | C346 F378 T472 I539 N558 P559 | C346-P541 HydrophobicContact CB-CB 3.66Å; C346-P541 HydrophobicContact CB-CG 3.84Å; C346-P541 VanDerWaalsContact SG-CB 3.54Å; F378-P541 HydrophobicContact CD1-CG 4.22Å; F378-P541 HydrophobicContact CD2-CG 4.3Å; F378-P541 HydrophobicContact CE1-CG 4.46Å; F378-P541 HydrophobicContact CG-CG 4.13Å; T472-P541 WeakPolarHBondContact O-CD 3.35Å; I539-P541 HydrophobicContact CG2-CG 4.24Å; P541-N558 WeakPolarHBondContact CA-OD1 3.47Å; P541-P559 HydrophobicContact CB-CG 4.18Å; P541-P559 HydrophobicContact CG-CG 4.04Å | ||
| 542 | S | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -145.2 | 152.6 | -179.2 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | D475 L544 N558 | D475-S542 WeakPolarHBondContact OD1-CA 3.36Å; D475-S542 WeakPolarHBondContact OD1-CB 3.47Å; D475-S542 PolarHBondContact OD1-OG 3.29Å; D475-S542 VanDerWaalsContact OD2-CA 3.29Å; D475-S542 WeakPolarHBondContact OD2-CA 3.44Å; D475-S542 PolarHBondContact OD2-OG 3.31Å; S542-L544 PolarHBondContact O-N 3.03Å; S542-L544 WeakPolarHBondContact OG-CB 3.1Å; S542-L544 WeakPolarHBondContact OG-CG 3.35Å; S542-L544 PolarHBondContact OG-N 2.95Å; S542-L544 VanDerWaalsContact OG-N 3.13Å; S542-N558 PolarHBondContact N-OD1 3.17Å | ||
| 543 | E | 93.8 | Very high | 97.1 | Very high | 104 Ų | 104 | 30.9 Ų | 30.9 | 49% | 0.486 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -62.3 | -22.8 | 167.8 | -68 | -166.4 | 177.5 | 0 | 0 | 112.4 | R427 D475 K564 | R427-E543 IonicContact NH1-OE1 2.88Å; R427-E543 PolarHBondContact NH1-OE1 3.1Å; D475-E543 PolarHBondContact OD2-N 3.26Å; E543-K564 PolarHBondContact O-NZ 3.38Å |
| 544 | L | 94.8 | Very high | 97.1 | Very high | 41 Ų | 41 | 29.6 Ų | 29.6 | 22% | 0.215 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -57.2 | 167.8 | 171.5 | -63.9 | 172.3 | 0 | 0 | 0 | 112.2 | L477 F478 F495 S542 Y546 N558 K564 | L477-L544 HydrophobicContact CB-CD1 4.05Å; F478-L544 HydrophobicContact CB-CD1 4.46Å; F478-L544 HydrophobicContact CD2-CD2 4.13Å; F478-L544 HydrophobicContact CD2-CG 4.3Å; F495-L544 HydrophobicContact CE1-CD1 3.74Å; F495-L544 HydrophobicContact CZ-CB 4.29Å; F495-L544 HydrophobicContact CZ-CD1 4.07Å; S542-L544 PolarHBondContact O-N 3.03Å; S542-L544 WeakPolarHBondContact OG-CB 3.1Å; S542-L544 WeakPolarHBondContact OG-CG 3.35Å; S542-L544 PolarHBondContact OG-N 2.95Å; S542-L544 VanDerWaalsContact OG-N 3.13Å; L544-Y546 PolarHBondContact O-N 3.48Å; L544-N558 PolarHBondContact O-ND2 3.42Å; L544-K564 PolarHBondContact O-NZ 2.73Å |
| 545 | R | 94.9 | Very high | 97.2 | Very high | 172 Ų | 172 | 29.6 Ų | 29.6 | 65% | 0.649 | 14% | 0.142 | S | C | * | . | P | Polyproline II helix | trans | -61.1 | 134.4 | 178.4 | -170.9 | 175.6 | -179.1 | 176.7 | -0.4 | 109.8 | F547 N558 | R545-F547 WeakPolarHBondContact O-CD1 3.36Å; R545-N558 PolarHBondContact O-ND2 3.21Å; R545-N558 VanDerWaalsContact O-ND2 3.1Å |
| 546 | Y | 97.2 | Very high | 97.2 | Very high | 31 Ų | 31 | 29.5 Ų | 29.5 | 12% | 0.122 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -53.7 | 148.1 | 173.9 | 50.3 | -102.4 | 0 | 0 | 0 | 111.4 | V171 T172 L544 N558 T570 V595 | V171-Y546 HydrophobicContact CB-CD2 4.36Å; V171-Y546 HydrophobicContact CB-CE1 4.25Å; V171-Y546 HydrophobicContact CB-CE2 3.52Å; V171-Y546 VanDerWaalsContact CB-CZ 3.46Å; V171-Y546 WeakPolarHBondContact CB-OH 3.26Å; V171-Y546 HydrophobicContact CG2-CD1 4.17Å; V171-Y546 HydrophobicContact CG2-CD2 3.7Å; V171-Y546 HydrophobicContact CG2-CE1 3.83Å; V171-Y546 HydrophobicContact CG2-CE2 3.34Å; V171-Y546 HydrophobicContact CG2-CG 4.15Å; V171-Y546 VanDerWaalsContact CG2-CZ 3.44Å; T172-Y546 VanDerWaalsContact OG1-CD2 3.24Å; T172-Y546 WeakPolarHBondContact OG1-CD2 3.38Å; T172-Y546 WeakPolarHBondContact OG1-CE2 3.4Å; L544-Y546 PolarHBondContact O-N 3.48Å; Y546-N558 VanDerWaalsContact CA-O 3.26Å; Y546-N558 WeakPolarHBondContact CA-O 3.5Å; Y546-N558 WeakPolarHBondContact CB-O 3.33Å; Y546-T570 HydrophobicContact CD1-CG2 3.89Å; Y546-T570 HydrophobicContact CE1-CG2 4.09Å; Y546-V595 HydrophobicContact CD1-CG1 4.5Å; Y546-V595 HydrophobicContact CD2-CB 4.47Å; Y546-V595 HydrophobicContact CD2-CG1 4.15Å; Y546-V595 HydrophobicContact CG-CG1 3.89Å |
| 547 | F | 98.2 | Very high | 97.3 | Very high | 14 Ų | 14 | 29.4 Ų | 29.4 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 165.3 | 176.1 | 64.3 | -103.4 | 0 | 0 | 0 | 111.3 | L477 F495 L499 R545 K549 N558 | L477-F547 HydrophobicContact CD1-CE1 3.75Å; L477-F547 HydrophobicContact CD1-CZ 3.56Å; L477-F547 HydrophobicContact CD2-CZ 4.48Å; F495-F547 HydrophobicContact CB-CE1 4.3Å; F495-F547 HydrophobicContact CB-CZ 4.44Å; F495-F547 AromaticContact CD2-CD1 3.68Å; F495-F547 HydrophobicContact CD2-CD1 3.68Å; F495-F547 AromaticContact CD2-CE1 3.77Å; F495-F547 HydrophobicContact CD2-CE1 3.77Å; F495-F547 HydrophobicContact CD2-CG 4.5Å; F495-F547 HydrophobicContact CE2-CD1 4.07Å; F495-F547 HydrophobicContact CE2-CE1 4.28Å; F495-F547 HydrophobicContact CG-CD1 4.43Å; F495-F547 HydrophobicContact CG-CE1 4.08Å; L499-F547 HydrophobicContact CD1-CE2 3.73Å; L499-F547 HydrophobicContact CD1-CZ 3.97Å; R545-F547 WeakPolarHBondContact O-CD1 3.36Å; F547-K549 HydrophobicContact CD2-CB 4.29Å; F547-K549 HydrophobicContact CD2-CD 3.86Å; F547-K549 HydrophobicContact CD2-CG 3.82Å; F547-K549 HydrophobicContact CE2-CD 4.17Å; F547-K549 HydrophobicContact CE2-CG 4.39Å; F547-K549 HydrophobicContact CG-CD 4.38Å; F547-N558 HydrophobicContact CD1-CB 3.81Å; F547-N558 HydrophobicContact CD2-CB 4.4Å; F547-N558 HydrophobicContact CE1-CB 3.61Å; F547-N558 HydrophobicContact CE2-CB 4.21Å; F547-N558 HydrophobicContact CG-CB 4.21Å; F547-N558 HydrophobicContact CZ-CB 3.83Å; F547-N558 PolarHBondContact N-O 3.02Å; F547-N558 VanDerWaalsContact N-O 3.07Å; F547-N558 PolarHBondContact O-N 3.08Å |
| 548 | V | 98.2 | Very high | 97.3 | Very high | 17 Ų | 17 | 29.4 Ų | 29.4 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 128.2 | 164.3 | -175.3 | 0 | 0 | 0 | 0 | 107.7 | T172 F174 V555 C556 V557 V593 V595 | T172-V548 HydrophobicContact CG2-CG2 4.26Å; F174-V548 HydrophobicContact CB-CB 3.76Å; F174-V548 HydrophobicContact CB-CG1 3.44Å; F174-V548 VanDerWaalsContact CB-CG1 3.44Å; F174-V548 HydrophobicContact CB-CG2 4.39Å; F174-V548 HydrophobicContact CD1-CG1 3.98Å; F174-V548 HydrophobicContact CD2-CG1 3.94Å; F174-V548 HydrophobicContact CG-CB 4.28Å; F174-V548 HydrophobicContact CG-CG1 3.52Å; V548-V555 HydrophobicContact CG1-CG1 3.84Å; V548-C556 WeakPolarHBondContact CA-O 2.87Å; V548-V557 HydrophobicContact CG1-CG2 4.11Å; V548-V557 HydrophobicContact CG2-CG1 4.28Å; V548-V557 HydrophobicContact CG2-CG2 4.43Å; V548-V593 HydrophobicContact CG1-CB 4.08Å; V548-V593 HydrophobicContact CG1-CG1 4.35Å; V548-V593 HydrophobicContact CG1-CG2 4.21Å; V548-V593 HydrophobicContact CG2-CB 4.03Å; V548-V593 HydrophobicContact CG2-CG1 3.58Å; V548-V595 HydrophobicContact CG2-CG2 4.08Å |
| 549 | K | 96.9 | Very high | 97.2 | Very high | 52 Ų | 52 | 29.4 Ų | 29.4 | 23% | 0.226 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 139 | -177.4 | -69.8 | 175.6 | 177.5 | -74.8 | 0 | 110.1 | D493 F495 L499 F547 V551 C556 | D493-K549 VanDerWaalsContact CG-NZ 3.35Å; D493-K549 IonicContact OD1-NZ 3.32Å; D493-K549 WeakPolarHBondContact OD2-CD 3.18Å; D493-K549 WeakPolarHBondContact OD2-CE 3.21Å; D493-K549 IonicContact OD2-NZ 3.62Å; D493-K549 PolarHBondContact OD2-NZ 3.45Å; F495-K549 HydrophobicContact CB-CD 4.2Å; L499-K549 HydrophobicContact CD1-CB 4.41Å; L499-K549 HydrophobicContact CD1-CD 4.32Å; F547-K549 HydrophobicContact CD2-CB 4.29Å; F547-K549 HydrophobicContact CD2-CD 3.86Å; F547-K549 HydrophobicContact CD2-CG 3.82Å; F547-K549 HydrophobicContact CE2-CD 4.17Å; F547-K549 HydrophobicContact CE2-CG 4.39Å; F547-K549 HydrophobicContact CG-CD 4.38Å; K549-V551 HydrophobicContact CB-CG2 4.15Å; K549-C556 PolarHBondContact N-O 3.33Å; K549-C556 PolarHBondContact O-N 3.16Å |
| 550 | D | 96.9 | Very high | 97.2 | Very high | 82 Ų | 82 | 29.4 Ų | 29.4 | 44% | 0.439 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 119.7 | 164.5 | -171.1 | -37.6 | 0 | 0 | 0 | 108.2 | F174 G553 C554 | F174-D550 HydrophobicContact CE2-CB 4.16Å; F174-D550 HydrophobicContact CZ-CB 4.13Å; D550-G553 WeakPolarHBondContact OD1-CA 3.4Å; D550-G553 PolarHBondContact OD1-N 3.1Å; D550-C554 WeakPolarHBondContact CA-O 3.44Å |
| 551 | V | 96.7 | Very high | 97.2 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 116.8 | 177.8 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | L499 K500 L503 K549 G553 C554 | L499-V551 HydrophobicContact CB-CB 4.29Å; L499-V551 HydrophobicContact CB-CG1 4.17Å; L499-V551 HydrophobicContact CB-CG2 3.98Å; L499-V551 HydrophobicContact CD1-CG2 3.88Å; K500-V551 HydrophobicContact CB-CG1 4.09Å; L503-V551 HydrophobicContact CD1-CB 4.39Å; L503-V551 HydrophobicContact CD1-CG1 4.25Å; L503-V551 WeakPolarHBondContact CD1-O 3.16Å; K549-V551 HydrophobicContact CB-CG2 4.15Å; V551-G553 PolarHBondContact O-N 3.39Å; V551-G553 VanDerWaalsContact O-N 3.16Å; V551-C554 PolarHBondContact N-O 3.42Å; V551-C554 WeakPolarHBondContact O-CB 3.27Å; V551-C554 PolarHBondContact O-N 3.38Å |
| 552 | L | 95.6 | Very high | 97.2 | Very high | 74 Ų | 74 | 29.8 Ų | 29.8 | 39% | 0.387 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 28.5 | -177 | -58.3 | 175.9 | 0 | 0 | 0 | 113.5 | P324 F327 K500 L503 T504 C554 | P324-L552 HydrophobicContact CB-CD1 4.35Å; P324-L552 HydrophobicContact CG-CD1 4.1Å; F327-L552 WeakPolarHBondContact CZ-O 3.41Å; K500-L552 HydrophobicContact CG-CD1 4.05Å; L503-L552 HydrophobicContact CB-CD1 4.46Å; L503-L552 HydrophobicContact CD1-CB 4.29Å; L503-L552 HydrophobicContact CD1-CD1 4.48Å; T504-L552 HydrophobicContact CG2-CD1 3.93Å; L552-C554 VanDerWaalsContact C-N 3.33Å |
| 553 | G | 95.3 | Very high | 97.2 | Very high | 19 Ų | 19 | 30 Ų | 30 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 4.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D550 V551 R586 | D550-G553 WeakPolarHBondContact OD1-CA 3.4Å; D550-G553 PolarHBondContact OD1-N 3.1Å; V551-G553 PolarHBondContact O-N 3.39Å; V551-G553 VanDerWaalsContact O-N 3.16Å; G553-R586 VanDerWaalsContact C-NH1 3.35Å; G553-R586 PolarHBondContact O-NH1 3.07Å; G553-R586 PolarHBondContact O-NH2 3.19Å |
| 554 | C | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 131.1 | 170 | 172.3 | 0 | 0 | 0 | 0 | 109.6 | F327 L503 T534 P535 D550 V551 L552 C556 | F327-C554 HydrophobicContact CE1-CB 4.43Å; L503-C554 HydrophobicContact CD1-CB 3.81Å; L503-C554 HydrophobicContact CD2-CB 4.32Å; T534-C554 HydrophobicContact CG2-CB 4.32Å; P535-C554 WeakPolarHBondContact O-CB 3.47Å; P535-C554 PolarHBondContact O-SG 3.23Å; D550-C554 WeakPolarHBondContact CA-O 3.44Å; V551-C554 PolarHBondContact N-O 3.42Å; V551-C554 WeakPolarHBondContact O-CB 3.27Å; V551-C554 PolarHBondContact O-N 3.38Å; L552-C554 VanDerWaalsContact C-N 3.33Å; C554-C556 PolarHBondContact O-N 2.95Å |
| 555 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 98.6 | 173.6 | -177.4 | 0 | 0 | 0 | 0 | 109 | F174 D536 V537 L538 V548 V557 C590 V593 | F174-V555 HydrophobicContact CD1-CG1 4.33Å; F174-V555 HydrophobicContact CE1-CG1 4.12Å; F174-V555 HydrophobicContact CE1-CG2 4.06Å; F174-V555 HydrophobicContact CZ-CG2 4.33Å; D536-V555 PolarHBondContact O-N 3.4Å; V537-V555 CarbonylContact C-O 3.54Å; V537-V555 VanDerWaalsContact CA-O 3.31Å; V537-V555 WeakPolarHBondContact CA-O 3.23Å; V537-V555 WeakPolarHBondContact CG1-O 3.5Å; V537-V555 HydrophobicContact CG2-CB 4.5Å; L538-V555 PolarHBondContact N-O 2.85Å; V548-V555 HydrophobicContact CG1-CG1 3.84Å; V555-V557 HydrophobicContact CG1-CG2 4.1Å; V555-C590 HydrophobicContact CB-CB 4.32Å; V555-C590 HydrophobicContact CG2-CB 3.95Å; V555-V593 HydrophobicContact CG1-CG2 4.17Å |
| 556 | C | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125 | 177.7 | -52.7 | 0 | 0 | 0 | 0 | 110.8 | L499 L538 V548 K549 C554 | L499-C556 HydrophobicContact CD1-CB 3.65Å; L499-C556 HydrophobicContact CD2-CB 3.75Å; L499-C556 HydrophobicContact CG-CB 4.25Å; L538-C556 CarbonylContact O-C 3.35Å; L538-C556 WeakPolarHBondContact O-CA 3.35Å; V548-C556 WeakPolarHBondContact CA-O 2.87Å; K549-C556 PolarHBondContact N-O 3.33Å; K549-C556 PolarHBondContact O-N 3.16Å; C554-C556 PolarHBondContact O-N 2.95Å |
| 557 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 118.2 | -176.2 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | V537 L538 I539 I540 V548 V555 P559 A572 L574 V593 | V537-V557 HydrophobicContact CG1-CG2 4.38Å; L538-V557 PolarHBondContact O-N 3.48Å; I539-V557 HydrophobicContact CD1-CB 3.84Å; I539-V557 HydrophobicContact CD1-CG1 4.43Å; I539-V557 HydrophobicContact CD1-CG2 4.22Å; I540-V557 PolarHBondContact N-O 2.92Å; V548-V557 HydrophobicContact CG1-CG2 4.11Å; V548-V557 HydrophobicContact CG2-CG1 4.28Å; V548-V557 HydrophobicContact CG2-CG2 4.43Å; V555-V557 HydrophobicContact CG1-CG2 4.1Å; V557-P559 WeakPolarHBondContact O-CD 3.43Å; V557-A572 HydrophobicContact CG1-CB 4.1Å; V557-L574 HydrophobicContact CG2-CD2 4.21Å; V557-V593 HydrophobicContact CG1-CG1 4.26Å; V557-V593 HydrophobicContact CG2-CG1 4.18Å; V557-V593 HydrophobicContact CG2-CG2 4.38Å |
| 558 | N | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 102.3 | 159.9 | 174.4 | 16.9 | 0 | 0 | 0 | 107.8 | L477 P541 S542 L544 R545 Y546 F547 G560 | L477-N558 HydrophobicContact CD1-CB 4.45Å; P541-N558 WeakPolarHBondContact CA-OD1 3.47Å; S542-N558 PolarHBondContact N-OD1 3.17Å; L544-N558 PolarHBondContact O-ND2 3.42Å; R545-N558 PolarHBondContact O-ND2 3.21Å; R545-N558 VanDerWaalsContact O-ND2 3.1Å; Y546-N558 VanDerWaalsContact CA-O 3.26Å; Y546-N558 WeakPolarHBondContact CA-O 3.5Å; Y546-N558 WeakPolarHBondContact CB-O 3.33Å; F547-N558 HydrophobicContact CD1-CB 3.81Å; F547-N558 HydrophobicContact CD2-CB 4.4Å; F547-N558 HydrophobicContact CE1-CB 3.61Å; F547-N558 HydrophobicContact CE2-CB 4.21Å; F547-N558 HydrophobicContact CG-CB 4.21Å; F547-N558 HydrophobicContact CZ-CB 3.83Å; F547-N558 PolarHBondContact N-O 3.02Å; F547-N558 VanDerWaalsContact N-O 3.07Å; F547-N558 PolarHBondContact O-N 3.08Å; N558-G560 PolarHBondContact O-N 3.48Å; N558-G560 WeakPolarHBondContact OD1-CA 3.46Å; N558-G560 PolarHBondContact OD1-N 3.44Å |
| 559 | P | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -68.8 | -11.6 | 177.8 | 30.1 | -36.8 | 0 | 0 | 0 | 112.9 | V344 P541 V557 T570 A572 | V344-P559 HydrophobicContact CG1-CB 4.39Å; V344-P559 HydrophobicContact CG1-CG 4.07Å; P541-P559 HydrophobicContact CB-CG 4.18Å; P541-P559 HydrophobicContact CG-CG 4.04Å; V557-P559 WeakPolarHBondContact O-CD 3.43Å; P559-T570 WeakPolarHBondContact O-CB 3.5Å; P559-T570 PolarHBondContact O-OG1 3.24Å; P559-A572 HydrophobicContact CB-CB 3.76Å | ||
| 560 | G | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | 74.3 | -175.3 | -164.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N558 | N558-G560 PolarHBondContact O-N 3.48Å; N558-G560 WeakPolarHBondContact OD1-CA 3.46Å; N558-G560 PolarHBondContact OD1-N 3.44Å | ||
| 561 | R | 98.3 | Very high | 97.1 | Very high | 9 Ų | 9 | 18.6 Ų | 18.6 | 3% | 0.034 | 11% | 0.11 | C | C | . | . | trans | -90 | 143.4 | 172.3 | -53.9 | -71.2 | 175.1 | -175.6 | -1.4 | 108.8 | C346 G347 D475 T563 K564 G569 T570 | C346-R561 PolarHBondContact SG-NH1 3.3Å; G347-R561 WeakPolarHBondContact O-CD 3.44Å; D475-R561 IonicContact OD2-NH2 3.2Å; D475-R561 PolarHBondContact OD2-NH2 2.94Å; D475-R561 VanDerWaalsContact OD2-NH2 3.08Å; R561-T563 WeakPolarHBondContact CB-O 3.28Å; R561-T563 PolarHBondContact O-N 3Å; R561-K564 HydrophobicContact CB-CG 4.25Å; R561-G569 CarbonylContact O-C 3.58Å; R561-G569 VanDerWaalsContact O-CA 3.27Å; R561-G569 WeakPolarHBondContact O-CA 3.3Å; R561-T570 CarbonylContact C-O 3.55Å; R561-T570 PolarHBondContact O-N 2.9Å | ||
| 562 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -64.2 | -30.3 | 177.3 | -167.7 | 74.3 | 0 | 0 | 0 | 111.5 | A345 C346 Y349 P359 L363 G569 T570 F571 I598 | A345-L562 HydrophobicContact CB-CD1 4.35Å; C346-L562 VanDerWaalsContact O-CB 3.27Å; C346-L562 WeakPolarHBondContact O-CB 3.34Å; C346-L562 PolarHBondContact O-N 3.43Å; Y349-L562 HydrophobicContact CD1-CD2 3.36Å; Y349-L562 HydrophobicContact CE1-CD2 3.79Å; Y349-L562 HydrophobicContact CG-CD2 4.32Å; P359-L562 HydrophobicContact CB-CD2 4.21Å; P359-L562 HydrophobicContact CB-CG 4.47Å; L363-L562 HydrophobicContact CB-CD2 4.18Å; L363-L562 HydrophobicContact CD1-CD1 4.36Å; L363-L562 HydrophobicContact CD2-CD1 4.46Å; L363-L562 HydrophobicContact CD2-CD2 3.9Å; L562-G569 WeakPolarHBondContact O-CA 3.4Å; L562-G569 PolarHBondContact O-N 3.29Å; L562-T570 WeakPolarHBondContact CA-O 3.45Å; L562-F571 HydrophobicContact CD1-CB 4.11Å; L562-I598 HydrophobicContact CD1-CB 3.8Å; L562-I598 HydrophobicContact CD1-CD1 4.37Å; L562-I598 HydrophobicContact CD1-CG1 3.89Å; L562-I598 HydrophobicContact CD1-CG2 3.9Å; L562-I598 HydrophobicContact CG-CB 4.49Å; L562-I598 HydrophobicContact CG-CG1 4.49Å; L562-I598 HydrophobicContact CG-CG2 4.1Å; L562-I598 VanDerWaalsContact O-CG2 3.31Å; L562-I598 WeakPolarHBondContact O-CG2 3.29Å |
| 563 | T | 97.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 3% | 0.025 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140.2 | 175.2 | -42.7 | 0 | 0 | 0 | 0 | 110.3 | P348 T350 T351 P359 R561 V567 | P348-T563 VanDerWaalsContact O-CB 3.23Å; P348-T563 WeakPolarHBondContact O-CB 3.24Å; P348-T563 PolarHBondContact O-N 3.31Å; P348-T563 PolarHBondContact O-OG1 2.89Å; T350-T563 WeakPolarHBondContact O-CG2 3.4Å; T351-T563 HydrophobicContact CG2-CG2 3.84Å; P359-T563 HydrophobicContact CG-CG2 4.3Å; P359-T563 WeakPolarHBondContact CG-OG1 3.3Å; R561-T563 WeakPolarHBondContact CB-O 3.28Å; R561-T563 PolarHBondContact O-N 3Å; T563-V567 WeakPolarHBondContact CG2-O 3.34Å |
| 564 | K | 94.8 | Very high | 97.3 | Very high | 85 Ų | 85 | 15.2 Ų | 15.2 | 37% | 0.37 | 9% | 0.086 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 99.8 | 173.7 | -65.6 | -164.4 | 178.8 | -159.1 | 0 | 109.2 | E543 L544 R561 Q566 V567 | E543-K564 PolarHBondContact O-NZ 3.38Å; L544-K564 PolarHBondContact O-NZ 2.73Å; R561-K564 HydrophobicContact CB-CG 4.25Å; K564-Q566 PolarHBondContact O-N 3.17Å; K564-V567 PolarHBondContact N-O 2.77Å; K564-V567 PolarHBondContact O-N 3.47Å |
| 565 | G | 93.9 | Very high | 97.2 | Very high | 40 Ų | 40 | 16 Ų | 16 | 41% | 0.412 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | -119.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T351 S352 | T351-G565 WeakPolarHBondContact CA-O 3.47Å; S352-G565 PolarHBondContact N-O 3.22Å; S352-G565 VanDerWaalsContact OG-C 3.28Å |
| 566 | Q | 95.3 | Very high | 96.9 | Very high | 68 Ų | 68 | 16.2 Ų | 16.2 | 32% | 0.318 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 2.5 | -178.9 | -62.5 | 178.9 | -25.4 | 0 | 0 | 114.2 | K160 Y161 D353 K564 | K160-Q566 HydrophobicContact CB-CB 4.43Å; K160-Q566 WeakPolarHBondContact CB-O 3.32Å; K160-Q566 HydrophobicContact CD-CB 4.09Å; Y161-Q566 PolarHBondContact N-O 2.77Å; D353-Q566 HydrophobicContact CB-CG 4.28Å; K564-Q566 PolarHBondContact O-N 3.17Å |
| 567 | V | 95.1 | Very high | 96.4 | Very high | 66 Ų | 66 | 23.5 Ų | 23.5 | 40% | 0.4 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 152.7 | -170.6 | -172.1 | 0 | 0 | 0 | 0 | 111.1 | T563 K564 | T563-V567 WeakPolarHBondContact CG2-O 3.34Å; K564-V567 PolarHBondContact N-O 2.77Å; K564-V567 PolarHBondContact O-N 3.47Å |
| 568 | G | 94.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 134.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 569 | G | 97.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | trans | -96 | -134.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R561 L562 R597 I598 | R561-G569 CarbonylContact O-C 3.58Å; R561-G569 VanDerWaalsContact O-CA 3.27Å; R561-G569 WeakPolarHBondContact O-CA 3.3Å; L562-G569 WeakPolarHBondContact O-CA 3.4Å; L562-G569 PolarHBondContact O-N 3.29Å; G569-R597 WeakPolarHBondContact O-CA 3.05Å; G569-I598 PolarHBondContact O-N 2.8Å | ||
| 570 | T | 98.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 159.5 | -173.1 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | V171 Y546 P559 R561 L562 V595 V596 R597 | V171-T570 HydrophobicContact CG2-CG2 3.95Å; Y546-T570 HydrophobicContact CD1-CG2 3.89Å; Y546-T570 HydrophobicContact CE1-CG2 4.09Å; P559-T570 WeakPolarHBondContact O-CB 3.5Å; P559-T570 PolarHBondContact O-OG1 3.24Å; R561-T570 CarbonylContact C-O 3.55Å; R561-T570 PolarHBondContact O-N 2.9Å; L562-T570 WeakPolarHBondContact CA-O 3.45Å; T570-V595 HydrophobicContact CG2-CG1 4.08Å; T570-V596 CarbonylContact C-O 3.6Å; T570-V596 WeakPolarHBondContact CA-O 3.49Å; T570-V596 WeakPolarHBondContact CB-O 3.49Å; T570-R597 HydrophobicContact CG2-CG 3.93Å |
| 571 | F | 98.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.022 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 170.9 | 165.9 | 69.1 | -81.4 | 0 | 0 | 0 | 108.7 | L343 V344 A345 V366 L562 V595 V596 I598 | L343-F571 HydrophobicContact CD1-CD2 3.99Å; L343-F571 HydrophobicContact CD1-CE2 3.94Å; L343-F571 HydrophobicContact CG-CD2 4.11Å; L343-F571 HydrophobicContact CG-CE2 4.49Å; V344-F571 WeakPolarHBondContact O-CB 3.43Å; A345-F571 HydrophobicContact CB-CB 4.06Å; V366-F571 HydrophobicContact CG1-CE1 4.47Å; V366-F571 HydrophobicContact CG1-CE2 3.94Å; V366-F571 HydrophobicContact CG1-CZ 3.69Å; L562-F571 HydrophobicContact CD1-CB 4.11Å; F571-V595 CarbonylContact O-C 3.59Å; F571-V595 WeakPolarHBondContact O-CA 3.34Å; F571-V596 HydrophobicContact CD1-CB 4.45Å; F571-V596 WeakPolarHBondContact CD1-O 3.49Å; F571-V596 HydrophobicContact CE1-CB 3.88Å; F571-V596 HydrophobicContact CE1-CG1 4.08Å; F571-V596 HydrophobicContact CE2-CB 4.36Å; F571-V596 HydrophobicContact CZ-CB 3.82Å; F571-V596 HydrophobicContact CZ-CG1 4.07Å; F571-V596 HydrophobicContact CZ-CG2 4.48Å; F571-V596 PolarHBondContact N-O 3.33Å; F571-V596 PolarHBondContact O-N 3.07Å; F571-I598 HydrophobicContact CD1-CB 4.14Å; F571-I598 HydrophobicContact CD1-CD1 3.94Å; F571-I598 HydrophobicContact CE1-CD1 3.89Å |
| 572 | A | 98.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 157.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V344 V557 P559 Q594 V595 | V344-A572 PolarHBondContact N-O 3.01Å; V344-A572 PolarHBondContact O-N 3.37Å; V557-A572 HydrophobicContact CG1-CB 4.1Å; P559-A572 HydrophobicContact CB-CB 3.76Å; A572-Q594 CarbonylContact C-O 3.6Å; A572-Q594 WeakPolarHBondContact CA-O 3.45Å; A572-V595 HydrophobicContact CB-CG2 4.29Å |
| 573 | R | 97.1 | Very high | 87.7 | Confident | 32 Ų | 32 | 47.1 Ų | 47.1 | 12% | 0.121 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 140 | 172.4 | 53.5 | -173.9 | -177.4 | -167.9 | 1.6 | 110.4 | W182 M341 V342 D370 V593 Q594 | W182-R573 VanDerWaalsContact CB-CZ 3.42Å; W182-R573 VanDerWaalsContact CB-NH1 3.35Å; W182-R573 HydrophobicContact CD2-CG 3.73Å; W182-R573 VanDerWaalsContact CD2-NE 3.28Å; W182-R573 HydrophobicContact CE3-CB 3.79Å; W182-R573 VanDerWaalsContact CE3-CD 3.46Å; W182-R573 HydrophobicContact CE3-CG 3.46Å; W182-R573 VanDerWaalsContact CE3-CG 3.46Å; W182-R573 HydrophobicContact CG-CG 4.4Å; W182-R573 HydrophobicContact CH2-CG 4.05Å; W182-R573 VanDerWaalsContact CH2-O 3.26Å; W182-R573 WeakPolarHBondContact CH2-O 3.1Å; W182-R573 HydrophobicContact CZ2-CG 4.32Å; W182-R573 VanDerWaalsContact CZ3-C 3.45Å; W182-R573 HydrophobicContact CZ3-CB 3.8Å; W182-R573 HydrophobicContact CZ3-CG 3.63Å; W182-R573 WeakPolarHBondContact CZ3-O 3.49Å; M341-R573 HydrophobicContact CE-CB 3.86Å; M341-R573 HydrophobicContact CE-CG 4.43Å; V342-R573 CarbonylContact O-C 3.38Å; V342-R573 VanDerWaalsContact O-CA 3.3Å; V342-R573 WeakPolarHBondContact O-CA 3.19Å; D370-R573 IonicContact OD2-NH1 2.9Å; D370-R573 PolarHBondContact OD2-NH1 2.85Å; R573-V593 CarbonylContact O-C 3.3Å; R573-V593 WeakPolarHBondContact O-CA 3.42Å; R573-Q594 HydrophobicContact CG-CB 4.11Å; R573-Q594 PolarHBondContact N-O 2.89Å; R573-Q594 PolarHBondContact O-N 3.45Å |
| 574 | L | 97.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 140.1 | -173.9 | -56.5 | 88.9 | 0 | 0 | 0 | 110 | M341 V342 V344 F469 V537 I539 V557 L576 A592 V593 | M341-L574 CarbonylContact C-O 3.56Å; M341-L574 WeakPolarHBondContact CA-O 3.36Å; V342-L574 HydrophobicContact CB-CB 4.48Å; V342-L574 PolarHBondContact N-O 2.99Å; V342-L574 PolarHBondContact O-N 3.48Å; V344-L574 HydrophobicContact CB-CD1 4.43Å; V344-L574 HydrophobicContact CG2-CD1 3.6Å; F469-L574 HydrophobicContact CE1-CD2 4.26Å; V537-L574 HydrophobicContact CG1-CD2 3.69Å; I539-L574 HydrophobicContact CD1-CD2 4.44Å; V557-L574 HydrophobicContact CG2-CD2 4.21Å; L574-L576 HydrophobicContact CB-CD2 4.49Å; L574-A592 CarbonylContact C-O 3.56Å; L574-A592 WeakPolarHBondContact CA-O 3.44Å; L574-V593 HydrophobicContact CB-CG2 4.33Å; L574-V593 HydrophobicContact CD2-CG2 3.82Å; L574-V593 HydrophobicContact CG-CB 4.44Å; L574-V593 HydrophobicContact CG-CG1 4.03Å; L574-V593 HydrophobicContact CG-CG2 3.84Å |
| 575 | Y | 95.3 | Very high | 84.3 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 6% | 0.063 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 123 | 166.4 | -86.1 | -55.3 | 0 | 0 | 0 | 110 | V180 W182 S183 Q339 M341 V591 A592 | V180-Y575 HydrophobicContact CB-CE2 4.42Å; V180-Y575 HydrophobicContact CG1-CE2 3.6Å; W182-Y575 WeakPolarHBondContact CA-OH 3.45Å; W182-Y575 HydrophobicContact CD2-CD2 4.04Å; W182-Y575 AromaticContact CD2-CE2 3.58Å; W182-Y575 HydrophobicContact CD2-CE2 3.58Å; W182-Y575 AromaticContact CE3-CD2 3.56Å; W182-Y575 HydrophobicContact CE3-CD2 3.56Å; W182-Y575 AromaticContact CE3-CE2 3.34Å; W182-Y575 HydrophobicContact CE3-CE2 3.34Å; W182-Y575 HydrophobicContact CE3-CG 4.28Å; W182-Y575 AromaticContact CE3-CZ 3.93Å; W182-Y575 HydrophobicContact CG-CE2 4.16Å; W182-Y575 AromaticContact CH2-CD2 3.67Å; W182-Y575 HydrophobicContact CH2-CD2 3.67Å; W182-Y575 HydrophobicContact CH2-CE2 4.23Å; W182-Y575 HydrophobicContact CH2-CG 4.36Å; W182-Y575 HydrophobicContact CZ2-CD2 4.1Å; W182-Y575 HydrophobicContact CZ2-CE2 4.4Å; W182-Y575 AromaticContact CZ3-CD2 3.36Å; W182-Y575 HydrophobicContact CZ3-CD2 3.36Å; W182-Y575 AromaticContact CZ3-CE2 3.7Å; W182-Y575 HydrophobicContact CZ3-CE2 3.7Å; W182-Y575 AromaticContact CZ3-CG 3.87Å; W182-Y575 HydrophobicContact CZ3-CG 3.87Å; S183-Y575 PolarHBondContact N-OH 2.93Å; S183-Y575 PolarHBondContact O-OH 3.44Å; Q339-Y575 HydrophobicContact CG-CD1 4.01Å; Q339-Y575 VanDerWaalsContact NE2-CG 3.34Å; M341-Y575 HydrophobicContact CB-CD1 4.05Å; M341-Y575 HydrophobicContact CB-CE1 3.75Å; M341-Y575 HydrophobicContact CG-CD1 4.46Å; M341-Y575 HydrophobicContact CG-CE1 4.12Å; M341-Y575 HydrophobicContact SD-CE1 4.46Å; Y575-V591 PolarHBondContact O-N 2.82Å; Y575-A592 PolarHBondContact N-O 3.41Å |
| 576 | L | 93 | Very high | 83.5 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.3 | 177.9 | -52.6 | -178.8 | 0 | 0 | 0 | 109.2 | Q339 S340 V342 I464 V467 F469 L574 P589 C590 | Q339-L576 CarbonylContact C-O 3.53Å; Q339-L576 WeakPolarHBondContact CA-O 3.36Å; Q339-L576 WeakPolarHBondContact CG-O 3.43Å; S340-L576 PolarHBondContact N-O 3.31Å; S340-L576 PolarHBondContact O-N 3.01Å; V342-L576 HydrophobicContact CG2-CD1 3.62Å; V342-L576 HydrophobicContact CG2-CG 4.2Å; I464-L576 HydrophobicContact CG2-CD1 4.32Å; V467-L576 HydrophobicContact CB-CD1 4.34Å; V467-L576 HydrophobicContact CG1-CD1 4.48Å; V467-L576 HydrophobicContact CG1-CD2 4.39Å; V467-L576 HydrophobicContact CG2-CD1 4.42Å; F469-L576 HydrophobicContact CE2-CD1 3.58Å; F469-L576 HydrophobicContact CE2-CD2 4.3Å; F469-L576 HydrophobicContact CZ-CD1 3.68Å; F469-L576 HydrophobicContact CZ-CD2 3.91Å; F469-L576 HydrophobicContact CZ-CG 4.32Å; L574-L576 HydrophobicContact CB-CD2 4.49Å; L576-P589 CarbonylContact C-O 3.59Å; L576-P589 WeakPolarHBondContact CA-O 3.42Å; L576-C590 HydrophobicContact CD2-CB 4.16Å |
| 577 | R | 87.9 | Confident | 82.9 | Confident | 153 Ų | 153 | 63.4 Ų | 63.4 | 58% | 0.577 | 34% | 0.344 | S | S | * | . | trans | -156.2 | 117.8 | 167.6 | -176.3 | 178.4 | -179.2 | 169.1 | 0.5 | 107.8 | Q339 P579 P589 V591 | Q339-R577 HydrophobicContact CB-CB 4.42Å; R577-P579 WeakPolarHBondContact O-CD 3.31Å; R577-P589 CarbonylContact C-O 3.55Å; R577-P589 PolarHBondContact N-O 3.06Å; R577-V591 HydrophobicContact CB-CG2 3.8Å | ||
| 578 | R | 81.9 | Confident | 82.7 | Confident | 39 Ų | 39 | 61.9 Ų | 61.9 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -72 | 124.6 | 171.5 | -170 | 169.5 | -71.8 | -75 | 5.5 | 108.4 | G466 D536 | G466-R578 PolarHBondContact O-NH2 3.4Å; D536-R578 IonicContact OD2-NH2 3.86Å |
| 579 | P | 76.6 | Confident | 82.6 | Confident | 44 Ų | 44 | 61.7 Ų | 61.7 | 29% | 0.286 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 162.8 | 176.9 | 30.8 | -32.1 | 0 | 0 | 0 | 111.5 | R577 Q587 | R577-P579 WeakPolarHBondContact O-CD 3.31Å; P579-Q587 HydrophobicContact CG-CB 3.43Å; P579-Q587 VanDerWaalsContact CG-CB 3.43Å; P579-Q587 HydrophobicContact CG-CG 4.28Å |
| 580 | A | 70.1 | Confident | 82.5 | Confident | 72 Ų | 72 | 61.8 Ų | 61.8 | 60% | 0.595 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 143.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D582 | A580-D582 VanDerWaalsContact C-N 3.25Å; A580-D582 PolarHBondContact O-N 3.45Å |
| 581 | V | 64.3 | Low | 82.2 | Confident | 142 Ų | 142 | 64.6 Ų | 64.6 | 86% | 0.861 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -78.4 | 69.1 | -175.6 | -167.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 582 | D | 56 | Low | 82 | Confident | 154 Ų | 154 | 64.5 Ų | 64.5 | 82% | 0.824 | 35% | 0.352 | S | S | * | . | trans | -117.4 | 17.5 | -174.9 | -79.2 | -28.3 | 0 | 0 | 0 | 114.1 | A580 | A580-D582 VanDerWaalsContact C-N 3.25Å; A580-D582 PolarHBondContact O-N 3.45Å | ||
| 583 | G | 58 | Low | 81.9 | Confident | 54 Ų | 54 | 64.5 Ų | 64.5 | 56% | 0.557 | 35% | 0.352 | S | S | * | . | trans | -149 | 163 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 584 | V | 57.3 | Low | 81.9 | Confident | 160 Ų | 160 | 63.9 Ų | 63.9 | 97% | 0.97 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -80 | -21 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 585 | E | 64.9 | Low | 81.9 | Confident | 170 Ų | 170 | 63.9 Ų | 63.9 | 79% | 0.794 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -95.9 | 137.3 | -178.7 | -66.5 | -174 | 171.1 | 0 | 0 | 112 | Q587 | E585-Q587 PolarHBondContact O-N 3.46Š|
| 586 | R | 76.7 | Confident | 82 | Confident | 101 Ų | 101 | 63.3 Ų | 63.3 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 120.9 | 177.3 | 176.1 | 167.3 | 171.8 | -98.5 | -7.3 | 110.1 | F327 D536 G553 | F327-R586 VanDerWaalsContact CG-NE 3.27Å; F327-R586 VanDerWaalsContact CZ-CZ 3.49Å; D536-R586 IonicContact OD1-CZ 2.78Å; D536-R586 IonicContact OD1-NE 3.74Å; D536-R586 IonicContact OD1-NH2 2.79Å; D536-R586 PolarHBondContact OD1-NH2 3.19Å; G553-R586 VanDerWaalsContact C-NH1 3.35Å; G553-R586 PolarHBondContact O-NH1 3.07Å; G553-R586 PolarHBondContact O-NH2 3.19Å |
| 587 | Q | 82.1 | Confident | 82.2 | Confident | 107 Ų | 107 | 65.8 Ų | 65.8 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -96.8 | 127.7 | 172.5 | -61.2 | -176.9 | 0 | 0 | 0 | 109.8 | P579 E585 | P579-Q587 HydrophobicContact CG-CB 3.43Å; P579-Q587 VanDerWaalsContact CG-CB 3.43Å; P579-Q587 HydrophobicContact CG-CG 4.28Å; E585-Q587 PolarHBondContact O-N 3.46Å |
| 588 | S | 90.9 | Very high | 82.6 | Confident | 35 Ų | 35 | 58.6 Ų | 58.6 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 130 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | C590 | S588-C590 PolarHBondContact O-N 3.35Å; S588-C590 PolarHBondContact OG-N 2.79Å |
| 589 | P | 92.5 | Very high | 82.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -71.9 | -10.2 | 174 | 31.1 | -36 | 0 | 0 | 0 | 112.8 | V467 D536 L576 R577 | V467-P589 HydrophobicContact CB-CG 4.41Å; V467-P589 HydrophobicContact CG1-CB 4.21Å; V467-P589 HydrophobicContact CG1-CG 3.7Å; V467-P589 HydrophobicContact CG2-CB 3.68Å; V467-P589 HydrophobicContact CG2-CG 4.03Å; D536-P589 HydrophobicContact CB-CG 3.72Å; L576-P589 CarbonylContact C-O 3.59Å; L576-P589 WeakPolarHBondContact CA-O 3.42Å; R577-P589 CarbonylContact C-O 3.55Å; R577-P589 PolarHBondContact N-O 3.06Å |
| 590 | C | 94.4 | Very high | 82.9 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.034 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 105.3 | 174.4 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | V537 V555 L576 S588 V593 | V537-C590 HydrophobicContact CG2-CB 3.77Å; V555-C590 HydrophobicContact CB-CB 4.32Å; V555-C590 HydrophobicContact CG2-CB 3.95Å; L576-C590 HydrophobicContact CD2-CB 4.16Å; S588-C590 PolarHBondContact O-N 3.35Å; S588-C590 PolarHBondContact OG-N 2.79Å; C590-V593 VanDerWaalsContact SG-CG2 3.52Å |
| 591 | V | 92.6 | Very high | 83.7 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 38% | 0.376 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -38.1 | -170.7 | 179.8 | 0 | 0 | 0 | 0 | 112.4 | G175 S176 Y575 R577 | G175-V591 WeakPolarHBondContact CA-O 3.36Å; S176-V591 PolarHBondContact N-O 3.22Å; Y575-V591 PolarHBondContact O-N 2.82Å; R577-V591 HydrophobicContact CB-CG2 3.8Å |
| 592 | A | 94.7 | Very high | 84.8 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 147.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F174 A177 W182 L574 Y575 | F174-A592 WeakPolarHBondContact O-CA 3.32Å; A177-A592 HydrophobicContact CB-CB 4.14Å; W182-A592 HydrophobicContact CH2-CB 4.32Å; W182-A592 HydrophobicContact CZ2-CB 4.47Å; L574-A592 CarbonylContact C-O 3.56Å; L574-A592 WeakPolarHBondContact CA-O 3.44Å; Y575-A592 PolarHBondContact N-O 3.41Å |
| 593 | V | 96.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 141.2 | 173.2 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | S173 F174 V548 V555 V557 R573 L574 C590 | S173-V593 CarbonylContact C-O 3.38Å; S173-V593 WeakPolarHBondContact CA-O 3.5Å; F174-V593 HydrophobicContact CB-CB 4.28Å; F174-V593 HydrophobicContact CD1-CG2 4.37Å; F174-V593 PolarHBondContact N-O 3.24Å; F174-V593 PolarHBondContact O-N 3.07Å; V548-V593 HydrophobicContact CG1-CB 4.08Å; V548-V593 HydrophobicContact CG1-CG1 4.35Å; V548-V593 HydrophobicContact CG1-CG2 4.21Å; V548-V593 HydrophobicContact CG2-CB 4.03Å; V548-V593 HydrophobicContact CG2-CG1 3.58Å; V555-V593 HydrophobicContact CG1-CG2 4.17Å; V557-V593 HydrophobicContact CG1-CG1 4.26Å; V557-V593 HydrophobicContact CG2-CG1 4.18Å; V557-V593 HydrophobicContact CG2-CG2 4.38Å; R573-V593 CarbonylContact O-C 3.3Å; R573-V593 WeakPolarHBondContact O-CA 3.42Å; L574-V593 HydrophobicContact CB-CG2 4.33Å; L574-V593 HydrophobicContact CD2-CG2 3.82Å; L574-V593 HydrophobicContact CG-CB 4.44Å; L574-V593 HydrophobicContact CG-CG1 4.03Å; L574-V593 HydrophobicContact CG-CG2 3.84Å; C590-V593 VanDerWaalsContact SG-CG2 3.52Å |
| 594 | Q | 96.4 | Very high | 88.5 | Confident | 19 Ų | 19 | 48.3 Ų | 48.3 | 9% | 0.089 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139.2 | 166.8 | -80.1 | -178.1 | 3.5 | 0 | 0 | 110.7 | V170 T172 A177 W182 A572 R573 V596 | V170-Q594 HydrophobicContact CG1-CB 4.28Å; V170-Q594 HydrophobicContact CG1-CG 3.96Å; T172-Q594 WeakPolarHBondContact O-CA 3.41Å; A177-Q594 HydrophobicContact CB-CG 4.09Å; A177-Q594 PolarHBondContact O-NE2 3.18Å; A177-Q594 VanDerWaalsContact O-NE2 3.12Å; W182-Q594 HydrophobicContact CH2-CB 4.49Å; W182-Q594 HydrophobicContact CZ2-CB 3.9Å; W182-Q594 HydrophobicContact CZ2-CG 3.61Å; W182-Q594 VanDerWaalsContact NE1-NE2 3.16Å; A572-Q594 CarbonylContact C-O 3.6Å; A572-Q594 WeakPolarHBondContact CA-O 3.45Å; R573-Q594 HydrophobicContact CG-CB 4.11Å; R573-Q594 PolarHBondContact N-O 2.89Å; R573-Q594 PolarHBondContact O-N 3.45Å; Q594-V596 HydrophobicContact CB-CG2 4.11Å |
| 595 | V | 97.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.4 | 164.3 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | V171 T172 Y546 V548 T570 F571 A572 | V171-V595 HydrophobicContact CG2-CB 3.96Å; V171-V595 HydrophobicContact CG2-CG1 3.71Å; V171-V595 VanDerWaalsContact CG2-O 3.3Å; V171-V595 WeakPolarHBondContact CG2-O 3.34Å; V171-V595 PolarHBondContact N-O 3.04Å; T172-V595 PolarHBondContact N-O 3.35Å; T172-V595 PolarHBondContact O-N 3.45Å; Y546-V595 HydrophobicContact CD1-CG1 4.5Å; Y546-V595 HydrophobicContact CD2-CB 4.47Å; Y546-V595 HydrophobicContact CD2-CG1 4.15Å; Y546-V595 HydrophobicContact CG-CG1 3.89Å; V548-V595 HydrophobicContact CG2-CG2 4.08Å; T570-V595 HydrophobicContact CG2-CG1 4.08Å; F571-V595 CarbonylContact O-C 3.59Å; F571-V595 WeakPolarHBondContact O-CA 3.34Å; A572-V595 HydrophobicContact CB-CG2 4.29Å |
| 596 | V | 97.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.5 | -169.8 | -169.7 | 0 | 0 | 0 | 0 | 109.5 | E169 V170 T570 F571 Q594 | E169-V596 CarbonylContact O-C 3.55Å; E169-V596 WeakPolarHBondContact O-CA 3.41Å; V170-V596 HydrophobicContact CG2-CG2 4.27Å; T570-V596 CarbonylContact C-O 3.6Å; T570-V596 WeakPolarHBondContact CA-O 3.49Å; T570-V596 WeakPolarHBondContact CB-O 3.49Å; F571-V596 HydrophobicContact CD1-CB 4.45Å; F571-V596 WeakPolarHBondContact CD1-O 3.49Å; F571-V596 HydrophobicContact CE1-CB 3.88Å; F571-V596 HydrophobicContact CE1-CG1 4.08Å; F571-V596 HydrophobicContact CE2-CB 4.36Å; F571-V596 HydrophobicContact CZ-CB 3.82Å; F571-V596 HydrophobicContact CZ-CG1 4.07Å; F571-V596 HydrophobicContact CZ-CG2 4.48Å; F571-V596 PolarHBondContact N-O 3.33Å; F571-V596 PolarHBondContact O-N 3.07Å; Q594-V596 HydrophobicContact CB-CG2 4.11Å |
| 597 | R | 97.8 | Very high | 94.1 | Very high | 57 Ų | 57 | 24.5 Ų | 24.5 | 22% | 0.215 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 137.5 | 172.6 | -68.9 | -170.5 | -178.5 | -81 | 1.1 | 111.7 | N166 G168 E169 V171 G569 T570 | N166-R597 WeakPolarHBondContact ND2-CD 3.32Å; N166-R597 PolarHBondContact ND2-NE 2.86Å; N166-R597 VanDerWaalsContact O-CB 3.27Å; N166-R597 WeakPolarHBondContact O-CB 3.38Å; N166-R597 WeakPolarHBondContact O-CD 3.49Å; G168-R597 WeakPolarHBondContact CA-O 2.96Å; G168-R597 PolarHBondContact N-O 3.49Å; E169-R597 HydrophobicContact CB-CB 4.35Å; E169-R597 HydrophobicContact CB-CG 4.29Å; E169-R597 PolarHBondContact O-N 2.97Å; E169-R597 VanDerWaalsContact OE2-CD 3.23Å; E169-R597 WeakPolarHBondContact OE2-CD 3.25Å; E169-R597 IonicContact OE2-NE 3.72Å; E169-R597 PolarHBondContact OE2-NE 3.09Å; V171-R597 HydrophobicContact CG1-CG 3.77Å; G569-R597 WeakPolarHBondContact O-CA 3.05Å; T570-R597 HydrophobicContact CG2-CG 3.93Å |
| 598 | I | 95.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | trans | -81.7 | 0 | 175.8 | -166 | 65.4 | 0 | 0 | 0 | 112.5 | Y161 R164 D362 L363 V366 L562 G569 F571 | Y161-I598 HydrophobicContact CE2-CG2 4.27Å; R164-I598 WeakPolarHBondContact CD-O 3.48Å; R164-I598 PolarHBondContact NE-O 2.94Å; R164-I598 PolarHBondContact NE-OXT 2.91Å; R164-I598 PolarHBondContact NH2-OXT 3.16Å; D362-I598 HydrophobicContact CB-CD1 4.39Å; D362-I598 HydrophobicContact CB-CG1 4.21Å; L363-I598 HydrophobicContact CB-CD1 4.18Å; L363-I598 HydrophobicContact CD1-CD1 4.33Å; V366-I598 HydrophobicContact CG2-CD1 3.95Å; L562-I598 HydrophobicContact CD1-CB 3.8Å; L562-I598 HydrophobicContact CD1-CD1 4.37Å; L562-I598 HydrophobicContact CD1-CG1 3.89Å; L562-I598 HydrophobicContact CD1-CG2 3.9Å; L562-I598 HydrophobicContact CG-CB 4.49Å; L562-I598 HydrophobicContact CG-CG1 4.49Å; L562-I598 HydrophobicContact CG-CG2 4.1Å; L562-I598 VanDerWaalsContact O-CG2 3.31Å; L562-I598 WeakPolarHBondContact O-CG2 3.29Å; G569-I598 PolarHBondContact O-N 2.8Å; F571-I598 HydrophobicContact CD1-CB 4.14Å; F571-I598 HydrophobicContact CD1-CD1 3.94Å; F571-I598 HydrophobicContact CE1-CD1 3.89Å |
Retrieved 598 of 598 residues in 2431.6 ms
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